#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3niu n TRP 2 N 0.00 -3.67 -1.69 1.43 7.02 -1.26 -4.87 117.44 114.39 3niu n TRP 2 Ca 0.00 -0.03 -0.43 0.00 -1.02 0.00 0.00 57.50 56.02 3niu n TRP 2 Cb 0.00 -0.03 -0.03 0.00 -2.42 0.00 0.00 31.31 28.83 3niu n TRP 2 CO 0.00 0.00 0.00 0.39 -2.02 0.00 0.00 177.69 176.06 3niu n GLU 3 N -1.24 2.70 -0.00 -0.99 1.02 -1.26 -4.85 120.64 116.02 3niu n GLU 3 Ca 0.00 0.98 0.04 0.00 -0.02 0.00 0.00 57.16 58.16 3niu n GLU 3 Cb 0.01 -2.85 -0.05 0.00 -0.02 0.00 0.00 31.44 28.53 3niu n GLU 3 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3niu n VAL 4 N 4.46 0.00 -0.08 2.62 0.31 -1.26 -4.30 118.33 120.08 3niu n VAL 4 Ca 0.18 -0.30 0.03 0.00 -0.01 0.00 0.00 64.34 64.24 3niu n VAL 4 Cb 0.36 0.96 0.08 0.00 -0.91 0.00 0.00 33.84 34.32 3niu n VAL 4 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3niu n GLY 5 N 1.25 2.68 3.67 2.92 0.00 -1.26 -5.05 105.19 109.40 3niu n GLY 5 Ca 0.01 -0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 3niu n GLY 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3niu s GLY 7 N 2.90 -0.40 -0.44 0.00 0.00 -1.26 -4.69 107.32 103.44 3niu s GLY 7 Ca 0.73 1.45 0.05 0.00 0.00 0.00 0.00 44.72 46.95 3niu s GLY 7 CO 0.30 0.68 0.42 0.00 0.00 0.00 0.00 173.10 174.49 3niu n ALA 8 N 0.26 2.84 -2.78 3.20 0.00 -1.26 -4.86 120.51 117.92 3niu n ALA 8 Ca -0.10 -3.36 0.00 0.00 0.00 0.00 0.00 53.44 49.97 3niu n ALA 8 Cb 0.60 -0.80 0.00 0.00 0.00 0.00 0.00 19.45 19.25 3niu n ALA 8 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3niu n PRO 9 N 2.32 3.93 -2.36 0.00 -0.04 -1.26 -4.97 135.00 132.61 3niu n PRO 9 Ca 0.27 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.32 3niu n PRO 9 Cb 0.48 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.94 3niu n PRO 9 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3niu n VAL 10 N 0.00 5.22 -0.27 0.52 0.31 -1.26 -4.91 118.33 117.94 3niu n VAL 10 Ca 0.00 -4.92 -0.01 0.00 -0.01 0.00 0.00 64.34 59.40 3niu n VAL 10 Cb 0.00 -2.04 0.19 0.00 -0.91 0.00 0.00 33.84 31.08 3niu n VAL 10 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 3niu h PRO 11 N 4.93 1.10 -3.83 5.55 0.13 -2.00 -3.28 132.00 134.61 3niu h PRO 11 Ca 0.52 -0.08 -0.71 0.00 -0.87 0.00 0.00 66.00 64.86 3niu h PRO 11 Cb 0.43 -0.24 -0.03 0.00 0.13 0.00 0.00 31.00 31.29 3niu h PRO 11 CO 1.44 0.75 3.21 1.28 -0.23 0.00 0.00 178.00 184.45 3niu n LEU 12 N -4.39 7.16 -3.88 1.56 4.77 -1.26 -4.72 117.00 116.25 3niu n LEU 12 Ca 0.09 -4.19 -0.24 0.00 -0.03 0.00 0.00 56.01 51.64 3niu n LEU 12 Cb 0.05 -1.64 -0.17 0.00 -2.33 0.00 0.00 43.42 39.33 3niu n LEU 12 CO 0.37 1.27 -0.42 0.68 -1.33 0.00 0.00 177.39 177.96 3niu s VAL 13 N 2.94 0.72 -0.01 4.08 -7.23 -1.24 -5.15 120.40 114.51 3niu s VAL 13 Ca 0.50 -0.14 0.01 0.00 -1.81 0.00 0.00 61.98 60.54 3niu s VAL 13 Cb 0.15 -0.77 -0.04 0.00 0.56 0.00 0.00 36.38 36.28 3niu s VAL 13 CO -0.08 0.30 0.02 0.42 -0.31 0.00 0.00 175.10 175.44 3niu s THR 14 N 1.47 4.28 0.08 5.32 -4.23 -1.26 -5.03 115.64 116.28 3niu s THR 14 Ca -0.01 -0.53 -0.22 0.00 -1.18 0.00 0.00 61.69 59.74 3niu s THR 14 Cb -0.13 -2.91 -0.07 0.00 1.34 0.00 0.00 72.50 70.73 3niu s THR 14 CO -0.04 0.39 0.67 0.00 -0.54 0.00 0.00 174.62 175.11 3niu h ASP 16 N 4.88 0.57 0.00 0.00 1.82 -1.97 -3.47 116.42 118.24 3niu h ASP 16 Ca -0.47 -0.40 0.00 0.00 -0.39 0.00 0.00 57.03 55.77 3niu h ASP 16 Cb 1.21 -0.17 0.00 0.00 0.68 0.00 0.00 39.33 41.05 3niu h ASP 16 CO 0.67 1.16 0.00 -0.62 -1.61 0.00 0.00 179.24 178.84 3niu n GLU 17 N -3.82 0.00 0.00 0.28 1.02 -1.26 -4.55 120.64 112.30 3niu n GLU 17 Ca -0.06 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.08 3niu n GLU 17 Cb 0.75 -1.71 0.00 0.00 -0.02 0.00 0.00 31.44 30.47 3niu n GLU 17 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3niu n GLN 18 N -1.76 -0.07 -2.27 3.49 1.13 -1.26 -5.06 117.38 111.58 3niu n GLN 18 Ca 0.00 -0.34 -0.42 0.00 -1.94 0.00 0.00 57.00 54.30 3niu n GLN 18 Cb 0.00 -0.83 -0.03 0.00 0.11 0.00 0.00 30.24 29.49 3niu n GLN 18 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 3niu s SER 19 N -0.09 6.94 0.00 1.08 0.15 -1.26 -4.93 113.70 115.59 3niu s SER 19 Ca 0.00 2.28 0.30 0.00 0.70 0.00 0.00 55.95 59.22 3niu s SER 19 Cb 0.00 -2.60 1.44 0.00 -1.71 0.00 0.00 66.02 63.15 3niu s SER 19 CO 0.00 -0.53 1.97 -0.81 1.20 0.00 0.00 173.24 175.07 3niu n PRO 20 N 3.30 1.02 -4.18 5.44 -0.05 -1.26 -4.88 135.00 134.38 3niu n PRO 20 Ca 0.08 -0.31 -0.30 0.00 -0.05 0.00 0.00 63.50 62.92 3niu n PRO 20 Cb 0.44 -1.49 -0.09 0.00 -0.05 0.00 0.00 33.50 32.31 3niu n PRO 20 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 175.50 176.16 3niu s TYR 21 N -2.20 2.93 0.62 0.54 4.12 -1.26 -5.07 117.35 117.04 3niu s TYR 21 Ca 0.38 -0.05 -0.17 0.00 0.02 0.00 0.00 57.07 57.25 3niu s TYR 21 Cb 0.21 -1.53 -0.02 0.00 -1.52 0.00 0.00 41.96 39.10 3niu s TYR 21 CO 0.40 0.46 1.17 1.03 0.02 0.00 0.00 175.55 178.63 3niu s ARG 22 N -2.17 2.87 0.47 -0.62 0.52 -1.26 -5.05 118.95 113.71 3niu s ARG 22 Ca 0.24 1.68 -0.11 0.00 -0.52 0.00 0.00 55.73 57.02 3niu s ARG 22 Cb -0.11 -1.93 -0.06 0.00 0.52 0.00 0.00 34.95 33.36 3niu s ARG 22 CO 0.16 -1.25 0.85 0.95 0.02 0.00 0.00 175.30 176.03 3niu s THR 23 N -1.86 4.74 0.14 0.02 -4.23 -1.26 -5.01 115.64 108.19 3niu s THR 23 Ca 0.74 0.71 -0.14 0.00 -1.18 0.00 0.00 61.69 61.81 3niu s THR 23 Cb -0.27 -3.77 0.01 0.00 1.34 0.00 0.00 72.50 69.81 3niu s THR 23 CO 0.36 -0.70 1.64 0.40 -0.54 0.00 0.00 174.62 175.77 3niu h ILE 24 N 0.70 1.24 0.00 2.99 1.08 -1.93 -3.03 117.51 118.56 3niu h ILE 24 Ca -0.47 -0.84 0.00 0.00 -0.39 0.00 0.00 64.86 63.16 3niu h ILE 24 Cb 1.19 0.91 0.00 0.00 -3.07 0.00 0.00 36.82 35.85 3niu h ILE 24 CO 0.63 0.30 0.00 0.35 -0.69 0.00 0.00 178.15 178.73 3niu n THR 25 N -4.49 0.56 -0.53 -0.27 -2.24 -1.26 -4.38 114.28 101.67 3niu n THR 25 Ca 0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 3niu n THR 25 Cb 0.22 -0.77 0.00 0.00 -2.10 0.00 0.00 70.33 67.69 3niu n THR 25 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3niu n GLY 26 N 0.83 0.82 3.54 3.38 0.00 -1.15 -0.75 105.19 111.86 3niu n GLY 26 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 3niu n GLY 26 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3niu s ASP 27 N -3.01 1.50 -0.53 1.61 1.01 -1.26 -3.91 116.67 112.09 3niu s ASP 27 Ca 0.00 1.62 0.00 0.00 0.71 0.00 0.00 52.55 54.88 3niu s ASP 27 Cb 0.00 -2.32 0.00 0.00 1.01 0.00 0.00 42.92 41.61 3niu s ASP 27 CO 0.00 -3.90 0.00 0.00 0.21 0.00 0.00 175.17 171.48 3niu h ASN 29 N 0.00 -0.39 -3.39 0.00 -0.73 -1.75 -3.42 115.58 105.89 3niu h ASN 29 Ca -0.10 0.01 -0.53 0.00 1.87 0.00 0.00 56.30 57.55 3niu h ASN 29 Cb 1.01 0.10 -0.01 0.00 0.27 0.00 0.00 38.32 39.69 3niu h ASN 29 CO 0.15 -0.05 0.45 0.21 -0.37 0.00 0.00 177.43 177.82 3niu s ASN 30 N -4.46 7.28 -0.02 1.15 3.84 -1.26 -4.66 114.94 116.80 3niu s ASN 30 Ca -0.07 1.87 -0.21 0.00 0.21 0.00 0.00 52.86 54.67 3niu s ASN 30 Cb 0.01 -2.58 -0.30 0.00 -0.55 0.00 0.00 41.25 37.83 3niu s ASN 30 CO 0.20 -0.29 0.96 0.03 -2.79 0.00 0.00 177.10 175.21 3niu h ARG 31 N 6.30 0.36 -0.20 0.43 3.08 -1.95 -3.11 114.38 119.30 3niu h ARG 31 Ca -0.42 -0.55 -0.13 0.00 0.07 0.00 0.00 59.98 58.95 3niu h ARG 31 Cb 1.22 0.20 0.00 0.00 0.08 0.00 0.00 29.97 31.46 3niu h ARG 31 CO 0.76 1.24 -0.37 0.00 -1.07 0.00 0.00 179.97 180.53 3niu h ARG 32 N -0.23 0.60 -3.33 0.04 3.08 -1.96 -3.38 114.38 109.19 3niu h ARG 32 Ca -0.14 -0.38 -0.64 0.00 0.07 0.00 0.00 59.98 58.89 3niu h ARG 32 Cb 1.63 0.05 -0.41 0.00 0.08 0.00 0.00 29.97 31.32 3niu h ARG 32 CO 0.16 0.99 -0.59 0.45 -1.07 0.00 0.00 179.97 179.91 3niu s SER 33 N -6.57 4.50 0.51 7.04 0.15 -1.26 -4.98 113.70 113.10 3niu s SER 33 Ca -0.13 -3.20 0.19 0.00 0.70 0.00 0.00 55.95 53.52 3niu s SER 33 Cb 0.07 -1.66 1.30 0.00 -1.71 0.00 0.00 66.02 64.03 3niu s SER 33 CO 0.82 -0.21 2.11 -0.65 1.20 0.00 0.00 173.24 176.52 3niu h PRO 34 N 6.29 0.00 0.00 5.44 0.11 -1.73 -2.39 132.00 139.72 3niu h PRO 34 Ca -0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.08 3niu h PRO 34 Cb 0.86 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.97 3niu h PRO 34 CO 0.70 0.07 0.00 0.00 -0.21 0.00 0.00 178.00 178.56 3niu h ALA 35 N 1.93 1.00 -2.07 -0.75 0.00 -1.94 -1.98 119.26 115.44 3niu h ALA 35 Ca -0.00 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.34 3niu h ALA 35 Cb 0.14 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3niu h ALA 35 CO 0.01 0.00 1.28 -1.17 0.00 0.00 0.00 179.25 179.37 3niu s LEU 36 N -4.98 3.83 0.00 0.00 2.96 -0.90 -1.53 118.68 118.07 3niu s LEU 36 Ca 0.06 1.90 0.00 0.00 -0.22 0.00 0.00 54.13 55.87 3niu s LEU 36 Cb 0.10 -3.52 0.00 0.00 0.50 0.00 0.00 46.19 43.26 3niu s LEU 36 CO 0.51 -1.48 0.00 0.61 -1.32 0.00 0.00 176.35 174.67 3niu n GLY 37 N 5.06 1.00 3.79 7.98 0.00 -1.26 -4.52 105.19 117.25 3niu n GLY 37 Ca 0.23 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.93 3niu n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3niu s ALA 38 N -2.38 2.55 0.70 4.61 0.00 -0.58 -1.75 121.76 124.91 3niu s ALA 38 Ca 0.00 0.33 -0.11 0.00 0.00 0.00 0.00 51.96 52.18 3niu s ALA 38 Cb 0.00 -3.25 0.01 0.00 0.00 0.00 0.00 23.12 19.88 3niu s ALA 38 CO 0.00 -1.24 1.06 0.00 0.00 0.00 0.00 175.76 175.58 3niu s ALA 39 N -2.66 2.69 -1.64 0.00 0.00 0.07 -4.05 121.76 116.18 3niu s ALA 39 Ca 0.63 0.02 0.00 0.00 0.00 0.00 0.00 51.96 52.60 3niu s ALA 39 Cb -0.17 -3.15 0.00 0.00 0.00 0.00 0.00 23.12 19.80 3niu s ALA 39 CO 0.47 -1.21 0.00 0.09 0.00 0.00 0.00 175.76 175.11 3niu n ASN 40 N -3.11 -4.86 -4.96 0.00 3.02 0.72 -4.83 115.26 101.23 3niu n ASN 40 Ca 0.07 0.37 -0.23 0.00 -0.03 0.00 0.00 54.58 54.76 3niu n ASN 40 Cb 0.54 -3.73 0.02 0.00 -0.61 0.00 0.00 39.78 36.00 3niu n ASN 40 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3niu s ARG 41 N -3.35 2.28 0.34 3.52 1.81 -1.23 -4.51 118.95 117.81 3niu s ARG 41 Ca 0.00 -1.86 -0.28 0.00 -1.72 0.00 0.00 55.73 51.88 3niu s ARG 41 Cb 0.00 -2.34 -0.09 0.00 -0.45 0.00 0.00 34.95 32.07 3niu s ARG 41 CO 0.00 -0.73 1.17 0.00 -0.68 0.00 0.00 175.30 175.06 3niu s ALA 42 N -2.73 3.33 0.37 2.13 0.00 -1.26 -1.26 121.76 122.33 3niu s ALA 42 Ca 0.46 1.00 -0.28 0.00 0.00 0.00 0.00 51.96 53.14 3niu s ALA 42 Cb -0.04 -3.38 -0.11 0.00 0.00 0.00 0.00 23.12 19.60 3niu s ALA 42 CO 0.29 -0.40 1.49 -0.51 0.00 0.00 0.00 175.76 176.63 3niu s LEU 43 N -1.93 4.33 0.82 0.00 1.43 0.48 -4.73 118.68 119.08 3niu s LEU 43 Ca 0.50 3.02 -0.11 0.00 -1.03 0.00 0.00 54.13 56.52 3niu s LEU 43 Cb -0.33 -3.66 0.09 0.00 0.03 0.00 0.00 46.19 42.31 3niu s LEU 43 CO 0.42 -0.86 1.09 0.00 0.23 0.00 0.00 176.35 177.24 3niu s ALA 44 N -1.01 1.96 -0.27 4.21 0.00 -0.64 -4.73 121.76 121.27 3niu s ALA 44 Ca 0.54 0.16 0.01 0.00 0.00 0.00 0.00 51.96 52.67 3niu s ALA 44 Cb -0.46 -3.25 0.07 0.00 0.00 0.00 0.00 23.12 19.48 3niu s ALA 44 CO 0.61 -2.03 -0.01 1.03 0.00 0.00 0.00 175.76 175.36 3niu s ARG 45 N -4.90 1.48 0.42 0.00 1.81 -1.26 -1.43 118.95 115.06 3niu s ARG 45 Ca 0.62 -1.19 0.23 0.00 -1.72 0.00 0.00 55.73 53.67 3niu s ARG 45 Cb -0.18 -2.63 0.54 0.00 -0.45 0.00 0.00 34.95 32.24 3niu s ARG 45 CO 0.56 -0.72 1.67 -1.49 -0.68 0.00 0.00 175.30 174.64 3niu h TRP 46 N 7.90 0.00 -4.06 -0.53 4.06 -1.98 -3.45 115.95 117.90 3niu h TRP 46 Ca -0.15 0.00 -0.17 0.00 2.06 0.00 0.00 58.89 60.63 3niu h TRP 46 Cb 1.05 0.00 -0.18 0.00 -1.00 0.00 0.00 29.16 29.03 3niu h TRP 46 CO 0.48 0.17 -0.70 -0.51 -3.56 0.00 0.00 178.44 174.32 3niu s LEU 47 N -6.38 2.39 0.45 -4.49 1.43 -1.26 -5.15 118.68 105.66 3niu s LEU 47 Ca 0.04 -0.79 -0.25 0.00 -1.03 0.00 0.00 54.13 52.10 3niu s LEU 47 Cb 0.07 0.08 -0.08 0.00 0.03 0.00 0.00 46.19 46.29 3niu s LEU 47 CO 0.66 -0.44 1.38 -2.84 0.23 0.00 0.00 176.35 175.35 3niu s PRO 48 N -2.84 3.71 0.44 1.29 0.02 -1.26 -4.97 135.00 131.39 3niu s PRO 48 Ca -0.02 2.31 -0.25 0.00 0.02 0.00 0.00 61.00 63.06 3niu s PRO 48 Cb -0.00 -2.64 -0.08 0.00 0.02 0.00 0.00 34.50 31.80 3niu s PRO 48 CO -0.05 -0.75 1.32 0.00 -0.33 0.00 0.00 177.00 177.18 3niu s ALA 49 N -1.24 3.17 -0.37 -1.55 0.00 -1.26 -4.69 121.76 115.82 3niu s ALA 49 Ca 0.61 1.25 0.00 0.00 0.00 0.00 0.00 51.96 53.82 3niu s ALA 49 Cb -0.41 -3.50 0.10 0.00 0.00 0.00 0.00 23.12 19.31 3niu s ALA 49 CO 0.53 -0.93 0.12 -1.21 0.00 0.00 0.00 175.76 174.27 3niu s GLU 50 N -2.40 1.80 0.37 0.00 2.02 0.14 -4.98 118.70 115.66 3niu s GLU 50 Ca 0.60 -1.81 0.08 0.00 0.02 0.00 0.00 54.97 53.86 3niu s GLU 50 Cb -0.38 -3.39 -0.05 0.00 0.10 0.00 0.00 34.13 30.41 3niu s GLU 50 CO 0.48 -0.99 0.13 0.71 0.02 0.00 0.00 175.26 175.62 3niu s TYR 51 N 1.04 2.63 0.21 1.61 2.02 -1.26 -4.28 117.35 119.32 3niu s TYR 51 Ca 0.08 -0.48 -0.09 0.00 -0.37 0.00 0.00 57.07 56.22 3niu s TYR 51 Cb -0.21 -1.74 0.15 0.00 -0.40 0.00 0.00 41.96 39.75 3niu s TYR 51 CO -0.06 0.30 1.79 1.49 -1.57 0.00 0.00 175.55 177.50 3niu h GLU 52 N 1.55 1.11 -0.36 -0.62 4.81 0.61 -2.76 114.58 118.92 3niu h GLU 52 Ca -0.43 -0.18 -0.05 0.00 -0.13 0.00 0.00 59.36 58.57 3niu h GLU 52 Cb 1.25 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 30.41 3niu h GLU 52 CO 0.67 0.88 0.03 -0.40 -0.73 0.00 0.00 179.01 179.45 3niu n ASP 53 N -4.36 3.99 0.00 1.04 5.75 -1.26 -4.94 116.55 116.77 3niu n ASP 53 Ca 0.07 -3.14 0.00 0.00 -0.01 0.00 0.00 54.79 51.71 3niu n ASP 53 Cb 0.15 -0.60 0.00 0.00 -1.03 0.00 0.00 41.12 39.64 3niu n ASP 53 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3niu n GLY 54 N -0.45 0.10 1.24 6.12 0.00 -1.04 -4.75 105.19 106.40 3niu n GLY 54 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.28 3niu n GLY 54 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3niu n LEU 55 N 0.00 0.52 0.00 0.99 4.77 -1.26 -4.59 117.00 117.43 3niu n LEU 55 Ca 0.00 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 3niu n LEU 55 Cb 0.36 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 3niu n LEU 55 CO 0.00 -0.67 0.00 0.00 -1.33 0.00 0.00 177.39 175.39 3niu n ALA 56 N -3.12 0.00 -2.69 -1.18 0.00 -1.26 -0.48 120.51 111.78 3niu n ALA 56 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 3niu n ALA 56 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 3niu n ALA 56 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3niu s VAL 57 N 0.00 4.81 0.60 0.00 1.01 -1.26 -4.94 120.40 120.62 3niu s VAL 57 Ca 0.00 2.03 -0.17 0.00 0.00 0.00 0.00 61.98 63.84 3niu s VAL 57 Cb 0.00 -4.31 -0.03 0.00 0.00 0.00 0.00 36.38 32.04 3niu s VAL 57 CO 0.00 0.05 1.12 -2.84 0.00 0.00 0.00 175.10 173.42 3niu s PRO 58 N 1.75 3.11 0.30 2.72 0.02 -1.26 0.11 135.00 141.76 3niu s PRO 58 Ca 0.49 1.49 -0.29 0.00 0.02 0.00 0.00 61.00 62.70 3niu s PRO 58 Cb -0.19 -1.98 -0.10 0.00 0.02 0.00 0.00 34.50 32.25 3niu s PRO 58 CO 0.20 -1.02 1.27 -0.06 -0.33 0.00 0.00 177.00 177.07 3niu s PHE 59 N -2.07 3.17 0.00 6.54 0.40 -1.26 -2.86 117.98 121.90 3niu s PHE 59 Ca 0.70 1.43 0.00 0.00 -0.60 0.00 0.00 56.93 58.46 3niu s PHE 59 Cb -0.22 -3.61 0.00 0.00 0.51 0.00 0.00 43.02 39.71 3niu s PHE 59 CO 0.34 -1.65 0.00 0.41 0.70 0.00 0.00 175.22 175.01 3niu n GLY 60 N 1.09 0.56 0.26 4.36 0.00 -1.26 -4.88 105.19 105.32 3niu n GLY 60 Ca 0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 3niu n GLY 60 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 3niu h TRP 61 N 0.00 -0.56 -3.44 1.61 2.91 -1.92 -3.43 115.95 111.13 3niu h TRP 61 Ca 0.00 -0.01 -0.61 0.00 1.13 0.00 0.00 58.89 59.39 3niu h TRP 61 Cb 0.00 0.18 -0.14 0.00 -0.51 0.00 0.00 29.16 28.69 3niu h TRP 61 CO 0.00 -0.23 -0.51 0.99 -1.03 0.00 0.00 178.44 177.66 3niu s THR 62 N -4.59 5.26 0.08 2.65 2.01 -1.26 -5.02 115.64 114.77 3niu s THR 62 Ca -0.14 0.14 -0.24 0.00 0.31 0.00 0.00 61.69 61.77 3niu s THR 62 Cb 0.02 -3.43 -0.16 0.00 0.01 0.00 0.00 72.50 68.94 3niu s THR 62 CO 0.49 0.39 1.68 1.56 -0.69 0.00 0.00 174.62 178.05 3niu h GLN 63 N 7.15 -0.02 0.00 4.92 7.50 -2.01 -2.99 115.11 129.65 3niu h GLN 63 Ca -0.39 0.00 -0.01 0.00 0.50 0.00 0.00 58.65 58.75 3niu h GLN 63 Cb 1.16 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 28.70 3niu h GLN 63 CO 0.69 0.05 -0.06 0.07 -1.50 0.00 0.00 178.83 178.08 3niu h ARG 64 N -0.08 0.00 -6.46 1.46 0.11 -1.99 -3.42 114.38 103.99 3niu h ARG 64 Ca -0.00 0.00 -0.53 0.00 0.10 0.00 0.00 59.98 59.54 3niu h ARG 64 Cb 0.08 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.15 3niu h ARG 64 CO 0.00 0.06 0.44 0.15 0.10 0.00 0.00 179.97 180.73 3niu s LYS 65 N -4.35 4.53 0.34 0.08 -0.14 -1.13 -5.05 119.74 114.02 3niu s LYS 65 Ca -0.04 1.56 0.07 0.00 -1.36 0.00 0.00 55.97 56.20 3niu s LYS 65 Cb 0.14 -3.40 -0.02 0.00 -1.68 0.00 0.00 37.83 32.87 3niu s LYS 65 CO 0.56 -0.09 0.39 0.95 -0.76 0.00 0.00 175.35 176.39 3niu s THR 66 N 0.87 3.74 -0.26 2.17 -4.23 -1.26 -4.80 115.64 111.88 3niu s THR 66 Ca 0.54 -1.18 -0.02 0.00 -1.18 0.00 0.00 61.69 59.84 3niu s THR 66 Cb -0.25 -3.28 0.03 0.00 1.34 0.00 0.00 72.50 70.34 3niu s THR 66 CO 0.29 -0.15 -0.04 -0.60 -0.54 0.00 0.00 174.62 173.58 3niu s ARG 67 N -4.09 2.83 -1.39 3.99 3.52 0.71 -4.70 118.95 119.82 3niu s ARG 67 Ca 0.43 -0.99 -0.03 0.00 -0.13 0.00 0.00 55.73 55.02 3niu s ARG 67 Cb -0.08 -3.06 0.01 0.00 -1.56 0.00 0.00 34.95 30.27 3niu s ARG 67 CO 0.29 -0.43 0.21 0.09 -0.81 0.00 0.00 175.30 174.65 3niu n ASN 68 N 4.69 -4.85 0.00 -2.12 3.02 -1.26 -2.29 115.26 112.45 3niu n ASN 68 Ca -0.16 -0.06 0.00 0.00 -0.03 0.00 0.00 54.58 54.33 3niu n ASN 68 Cb 0.47 -4.03 0.00 0.00 -0.61 0.00 0.00 39.78 35.61 3niu n ASN 68 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3niu n GLY 69 N -1.07 0.75 3.00 7.41 0.00 -1.26 -5.07 105.19 108.95 3niu n GLY 69 Ca -0.14 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.78 3niu n GLY 69 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3niu s PHE 70 N -2.25 0.37 0.36 1.61 0.40 -0.97 -5.02 117.98 112.48 3niu s PHE 70 Ca 0.00 -0.52 -0.28 0.00 -0.60 0.00 0.00 56.93 55.53 3niu s PHE 70 Cb 0.00 -0.25 -0.10 0.00 0.51 0.00 0.00 43.02 43.19 3niu s PHE 70 CO 0.00 -0.16 1.28 1.03 0.70 0.00 0.00 175.22 178.07 3niu s ARG 71 N -1.50 4.22 0.16 0.44 0.52 -1.26 -0.21 118.95 121.32 3niu s ARG 71 Ca -0.14 2.14 -0.28 0.00 -0.52 0.00 0.00 55.73 56.92 3niu s ARG 71 Cb -0.10 -2.94 -0.07 0.00 0.52 0.00 0.00 34.95 32.36 3niu s ARG 71 CO -0.01 -0.28 0.88 0.14 0.02 0.00 0.00 175.30 176.06 3niu s VAL 72 N -1.21 4.35 0.45 3.52 -7.23 -1.26 -4.89 120.40 114.12 3niu s VAL 72 Ca 0.52 1.93 -0.23 0.00 -1.81 0.00 0.00 61.98 62.39 3niu s VAL 72 Cb -0.38 -4.25 -0.08 0.00 0.56 0.00 0.00 36.38 32.23 3niu s VAL 72 CO 0.50 0.44 1.10 -2.16 -0.31 0.00 0.00 175.10 174.67 3niu s PRO 73 N -0.71 3.88 0.25 4.82 0.05 -1.26 -4.94 135.00 137.08 3niu s PRO 73 Ca 0.41 1.62 -0.31 0.00 0.05 0.00 0.00 61.00 62.77 3niu s PRO 73 Cb -0.24 -2.39 -0.14 0.00 0.05 0.00 0.00 34.50 31.79 3niu s PRO 73 CO 0.29 -0.41 1.31 1.28 0.05 0.00 0.00 177.00 179.52 3niu n LEU 74 N -0.46 2.76 -0.33 -3.56 4.77 -1.26 -4.88 117.00 114.05 3niu n LEU 74 Ca 0.07 1.15 0.03 0.00 -0.03 0.00 0.00 56.01 57.23 3niu n LEU 74 Cb 0.49 -1.38 0.21 0.00 -2.33 0.00 0.00 43.42 40.41 3niu n LEU 74 CO 0.45 -0.72 1.26 0.00 -1.33 0.00 0.00 177.39 177.05 3niu h ALA 75 N 3.63 1.46 0.00 -1.18 0.00 -1.90 -2.13 119.26 119.14 3niu h ALA 75 Ca -0.44 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.35 3niu h ALA 75 Cb 1.29 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 3niu h ALA 75 CO 0.71 0.41 -0.43 -0.09 0.00 0.00 0.00 179.25 179.86 3niu h ARG 76 N 1.10 0.00 -0.07 0.00 9.65 -1.86 -2.75 114.38 120.45 3niu h ARG 76 Ca 0.40 0.00 -0.23 0.00 -1.10 0.00 0.00 59.98 59.05 3niu h ARG 76 Cb 0.15 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 28.74 3niu h ARG 76 CO -0.15 0.43 -0.86 1.49 2.80 0.00 0.00 179.97 183.68 3niu h GLU 77 N 0.00 0.61 -0.84 0.20 4.81 -1.71 -1.13 114.58 116.52 3niu h GLU 77 Ca -0.00 -0.56 0.03 0.00 -0.13 0.00 0.00 59.36 58.70 3niu h GLU 77 Cb 0.85 0.14 -0.05 0.00 0.63 0.00 0.00 28.75 30.32 3niu h GLU 77 CO 0.06 1.18 0.54 0.28 -0.73 0.00 0.00 179.01 180.34 3niu h VAL 78 N 0.39 1.13 -0.51 0.32 2.07 -1.46 -1.95 116.25 116.24 3niu h VAL 78 Ca -0.07 -0.36 -0.00 0.00 0.82 0.00 0.00 66.70 67.09 3niu h VAL 78 Cb 1.49 -0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 3niu h VAL 78 CO 0.16 0.19 0.31 -1.28 0.02 0.00 0.00 177.57 176.98 3niu h SER 79 N 1.05 0.60 0.17 0.57 0.87 -1.31 0.16 113.55 115.67 3niu h SER 79 Ca 0.34 -0.05 -0.06 0.00 -1.23 0.00 0.00 61.79 60.78 3niu h SER 79 Cb 0.01 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 61.81 3niu h SER 79 CO -0.12 0.47 -0.25 0.78 -0.53 0.00 0.00 176.83 177.19 3niu h ASN 80 N 0.68 0.14 0.00 6.23 2.35 -0.86 -2.10 115.58 122.02 3niu h ASN 80 Ca 0.18 -0.04 -0.34 0.00 -0.55 0.00 0.00 56.30 55.56 3niu h ASN 80 Cb -0.03 -0.04 -0.06 0.00 0.05 0.00 0.00 38.32 38.24 3niu h ASN 80 CO -0.04 0.40 -2.27 0.29 -1.65 0.00 0.00 177.43 174.16 3niu n LYS 81 N -4.19 0.85 -0.14 0.81 5.02 -0.76 -4.54 118.16 115.21 3niu n LYS 81 Ca -0.01 0.05 -0.29 0.00 -2.02 0.00 0.00 58.31 56.04 3niu n LYS 81 Cb 0.34 -1.46 -0.10 0.00 -0.02 0.00 0.00 35.03 33.78 3niu n LYS 81 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 3niu n ILE 82 N -2.89 1.51 0.02 -0.18 2.08 0.54 -4.79 119.36 115.65 3niu n ILE 82 Ca -0.34 -0.40 -0.08 0.00 0.56 0.00 0.00 62.75 62.48 3niu n ILE 82 Cb 1.02 -1.84 -0.13 0.00 -0.75 0.00 0.00 39.64 37.93 3niu n ILE 82 CO 0.00 0.00 0.00 0.58 0.56 0.00 0.00 176.55 177.69 3niu h VAL 83 N -0.92 1.27 -4.29 1.39 2.07 -1.49 -3.44 116.25 110.84 3niu h VAL 83 Ca -0.69 -3.04 -0.50 0.00 0.82 0.00 0.00 66.70 63.28 3niu h VAL 83 Cb 1.63 2.64 0.11 0.00 -1.52 0.00 0.00 31.29 34.15 3niu h VAL 83 CO -0.40 0.73 0.34 -0.83 0.02 0.00 0.00 177.57 177.43 3niu s GLY 84 N -4.92 1.65 0.13 2.17 0.00 -0.81 -2.04 107.32 103.49 3niu s GLY 84 Ca -0.02 -0.02 -0.25 0.00 0.00 0.00 0.00 44.72 44.42 3niu s GLY 84 CO 0.82 0.36 0.86 -2.52 0.00 0.00 0.00 173.10 172.62 3niu s TYR 85 N -3.06 -0.25 -0.09 1.90 -0.85 -1.26 -4.55 117.35 109.20 3niu s TYR 85 Ca 0.60 -0.02 0.01 0.00 -0.52 0.00 0.00 57.07 57.14 3niu s TYR 85 Cb -0.15 0.61 -0.06 0.00 0.38 0.00 0.00 41.96 42.75 3niu s TYR 85 CO 0.55 -0.81 -0.07 1.28 -1.52 0.00 0.00 175.55 174.98 3niu n LEU 86 N -0.40 2.93 -4.60 -3.49 4.32 -1.26 -4.60 117.00 109.91 3niu n LEU 86 Ca -0.08 -0.05 -0.42 0.00 -0.02 0.00 0.00 56.01 55.45 3niu n LEU 86 Cb 0.61 -0.29 -0.06 0.00 -1.62 0.00 0.00 43.42 42.06 3niu n LEU 86 CO 0.13 0.64 0.48 -0.62 -1.22 0.00 0.00 177.39 176.79 3niu s ASP 87 N -4.81 6.54 0.00 -1.43 -1.08 -1.26 -4.94 116.67 109.70 3niu s ASP 87 Ca -0.11 0.44 0.13 0.00 -0.52 0.00 0.00 52.55 52.49 3niu s ASP 87 Cb 0.03 -2.36 0.44 0.00 -1.46 0.00 0.00 42.92 39.56 3niu s ASP 87 CO 0.20 -0.58 1.34 -0.62 0.52 0.00 0.00 175.17 176.02 3niu n GLU 88 N 6.10 1.76 -2.99 4.34 -0.58 -1.26 -4.86 120.64 123.15 3niu n GLU 88 Ca 0.01 -1.17 -0.41 0.00 -0.42 0.00 0.00 57.16 55.17 3niu n GLU 88 Cb 0.48 -1.30 -0.05 0.00 -0.57 0.00 0.00 31.44 30.01 3niu n GLU 88 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 3niu s GLU 89 N -1.62 4.28 0.00 3.49 0.41 -1.26 -3.75 118.70 120.26 3niu s GLU 89 Ca 0.25 0.86 0.00 0.00 -0.41 0.00 0.00 54.97 55.67 3niu s GLU 89 Cb 0.13 -3.56 0.00 0.00 -1.78 0.00 0.00 34.13 28.92 3niu s GLU 89 CO 0.18 -0.25 0.00 0.41 -0.49 0.00 0.00 175.26 175.12 3niu n GLY 90 N 3.53 0.81 0.22 -1.39 0.00 -1.26 -4.94 105.19 102.17 3niu n GLY 90 Ca 0.02 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.15 3niu n GLY 90 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3niu h VAL 91 N 0.00 0.24 -3.37 1.61 -1.51 -1.89 -3.46 116.25 107.87 3niu h VAL 91 Ca 0.00 -1.09 -0.52 0.00 -1.23 0.00 0.00 66.70 63.85 3niu h VAL 91 Cb 0.00 1.90 0.03 0.00 -2.13 0.00 0.00 31.29 31.09 3niu h VAL 91 CO 0.00 0.12 0.64 -0.76 -1.23 0.00 0.00 177.57 176.34 3niu s LEU 92 N -6.35 4.42 0.12 4.19 1.43 -1.26 0.70 118.68 121.93 3niu s LEU 92 Ca 0.04 2.35 -0.31 0.00 -1.03 0.00 0.00 54.13 55.18 3niu s LEU 92 Cb 0.07 -3.61 -0.09 0.00 0.03 0.00 0.00 46.19 42.60 3niu s LEU 92 CO 0.64 -0.51 1.54 -0.62 0.23 0.00 0.00 176.35 177.64 3niu s ASP 93 N 0.38 6.65 0.09 2.29 -1.08 0.13 -4.61 116.67 120.53 3niu s ASP 93 Ca 0.57 2.50 0.26 0.00 -0.52 0.00 0.00 52.55 55.36 3niu s ASP 93 Cb -0.36 -2.58 0.74 0.00 -1.46 0.00 0.00 42.92 39.26 3niu s ASP 93 CO 0.37 -0.80 1.63 0.00 0.52 0.00 0.00 175.17 176.89 3niu n GLN 94 N 4.44 0.15 -0.46 4.34 1.13 -1.26 -3.92 117.38 121.81 3niu n GLN 94 Ca 0.14 0.08 0.05 0.00 -1.94 0.00 0.00 57.00 55.33 3niu n GLN 94 Cb 0.40 -1.64 0.07 0.00 0.11 0.00 0.00 30.24 29.18 3niu n GLN 94 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 3niu n ASN 95 N -1.88 1.11 -3.95 1.08 5.15 -1.26 -4.64 115.26 110.87 3niu n ASN 95 Ca 0.05 -2.56 -0.17 0.00 -0.60 0.00 0.00 54.58 51.30 3niu n ASN 95 Cb 0.39 -0.32 -0.15 0.00 -0.53 0.00 0.00 39.78 39.17 3niu n ASN 95 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 3niu s ARG 96 N -1.33 0.57 0.65 1.20 3.00 -1.25 -2.83 118.95 118.96 3niu s ARG 96 Ca 0.19 -0.19 0.01 0.00 0.00 0.00 0.00 55.73 55.74 3niu s ARG 96 Cb 0.18 -0.57 0.09 0.00 0.00 0.00 0.00 34.95 34.65 3niu s ARG 96 CO -0.01 0.08 0.90 -1.54 0.00 0.00 0.00 175.30 174.73 3niu s SER 97 N 0.13 4.74 0.52 0.23 1.04 -0.60 -2.20 113.70 117.56 3niu s SER 97 Ca -0.01 -0.27 0.28 0.00 0.48 0.00 0.00 55.95 56.42 3niu s SER 97 Cb -0.06 -0.30 1.44 0.00 0.10 0.00 0.00 66.02 67.21 3niu s SER 97 CO -0.00 -1.56 2.06 0.25 0.98 0.00 0.00 173.24 174.97 3niu h LEU 98 N -0.26 0.00 -1.59 2.42 5.85 -0.93 -2.22 115.31 118.58 3niu h LEU 98 Ca -0.38 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.30 3niu h LEU 98 Cb 1.28 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.30 3niu h LEU 98 CO 0.45 0.12 -0.19 0.25 -0.34 0.00 0.00 178.44 178.72 3niu h LEU 99 N 0.00 0.00 -0.46 2.25 5.85 -1.78 -1.84 115.31 119.33 3niu h LEU 99 Ca -0.00 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.65 3niu h LEU 99 Cb 0.36 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 3niu h LEU 99 CO 0.02 0.19 0.01 0.15 -0.34 0.00 0.00 178.44 178.47 3niu h PHE 100 N 0.00 0.88 -0.05 1.25 3.57 -1.63 0.19 116.94 121.15 3niu h PHE 100 Ca -0.00 -0.15 -0.00 0.00 3.53 0.00 0.00 57.97 61.35 3niu h PHE 100 Cb 0.50 -0.23 -0.00 0.00 2.79 0.00 0.00 35.95 39.01 3niu h PHE 100 CO 0.00 0.84 0.02 1.98 -2.23 0.00 0.00 178.31 178.93 3niu h MET 101 N 0.66 0.08 -0.70 1.11 4.05 -1.62 -3.15 114.93 115.36 3niu h MET 101 Ca 0.13 -0.01 0.02 0.00 -0.28 0.00 0.00 59.70 59.56 3niu h MET 101 Cb 0.49 -0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 31.23 3niu h MET 101 CO 0.02 0.20 0.45 0.37 0.23 0.00 0.00 176.91 178.19 3niu h GLN 102 N -0.06 0.89 -0.06 0.39 5.75 -1.04 -2.32 115.11 118.65 3niu h GLN 102 Ca 0.02 -0.05 -0.09 0.00 -0.15 0.00 0.00 58.65 58.38 3niu h GLN 102 Cb 0.15 -0.20 -0.01 0.00 1.07 0.00 0.00 27.48 28.49 3niu h GLN 102 CO -0.00 0.59 -0.37 2.35 -2.65 0.00 0.00 178.83 178.75 3niu h TRP 103 N 0.92 0.14 -0.69 3.99 2.91 -0.70 -2.50 115.95 120.02 3niu h TRP 103 Ca 0.27 -0.03 0.07 0.00 1.13 0.00 0.00 58.89 60.32 3niu h TRP 103 Cb -0.06 -0.03 -0.06 0.00 -0.51 0.00 0.00 29.16 28.49 3niu h TRP 103 CO -0.03 0.48 0.37 0.78 -1.03 0.00 0.00 178.44 179.01 3niu h GLY 104 N 1.14 1.03 1.82 2.65 0.00 -1.37 -1.47 103.07 106.87 3niu h GLY 104 Ca 0.01 -0.25 -0.15 0.00 0.00 0.00 0.00 47.33 46.94 3niu h GLY 104 CO 0.05 0.13 -0.63 -1.61 0.00 0.00 0.00 176.54 174.48 3niu h GLN 105 N 0.67 0.19 -0.26 4.80 4.15 -1.38 -0.35 115.11 122.93 3niu h GLN 105 Ca 0.32 -0.14 -0.06 0.00 0.77 0.00 0.00 58.65 59.55 3niu h GLN 105 Cb 0.25 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.96 3niu h GLN 105 CO -0.21 0.75 -0.07 0.82 -1.93 0.00 0.00 178.83 178.19 3niu h ILE 106 N 0.14 1.29 -0.34 2.39 1.08 -1.15 -0.75 117.51 120.16 3niu h ILE 106 Ca -0.01 -1.10 -0.03 0.00 -0.39 0.00 0.00 64.86 63.33 3niu h ILE 106 Cb 1.14 1.46 -0.01 0.00 -3.07 0.00 0.00 36.82 36.34 3niu h ILE 106 CO 0.09 0.35 0.11 0.58 -0.69 0.00 0.00 178.15 178.59 3niu h VAL 107 N 0.26 1.21 -0.64 1.67 2.07 -1.25 -2.56 116.25 117.01 3niu h VAL 107 Ca 0.07 -0.66 0.00 0.00 0.82 0.00 0.00 66.70 66.92 3niu h VAL 107 Cb 0.55 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 31.28 3niu h VAL 107 CO 0.03 0.23 0.41 -0.78 0.02 0.00 0.00 177.57 177.47 3niu h ASP 108 N 0.40 0.76 0.43 0.57 3.58 -1.04 -2.35 116.42 118.76 3niu h ASP 108 Ca 0.11 -0.04 -0.06 0.00 0.42 0.00 0.00 57.03 57.46 3niu h ASP 108 Cb 0.24 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.09 3niu h ASP 108 CO -0.00 0.57 -0.28 0.45 -2.88 0.00 0.00 179.24 177.09 3niu h HIS 109 N 0.87 0.00 0.00 0.28 3.86 -1.10 -2.05 115.15 117.01 3niu h HIS 109 Ca 0.23 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.31 3niu h HIS 109 Cb -0.06 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.39 3niu h HIS 109 CO -0.02 0.28 -0.61 0.22 0.86 0.00 0.00 177.93 178.66 3niu h ASP 110 N 0.00 0.00 0.03 2.45 1.82 -1.00 -3.39 116.42 116.33 3niu h ASP 110 Ca -0.00 0.00 -0.37 0.00 -0.39 0.00 0.00 57.03 56.26 3niu h ASP 110 Cb 0.57 0.00 -0.05 0.00 0.68 0.00 0.00 39.33 40.53 3niu h ASP 110 CO 0.04 0.61 -2.14 0.18 -1.61 0.00 0.00 179.24 176.32 3niu n LEU 111 N -3.75 2.40 -3.85 2.28 4.77 -0.95 -4.44 117.00 113.45 3niu n LEU 111 Ca -0.01 0.19 -0.13 0.00 -0.03 0.00 0.00 56.01 56.03 3niu n LEU 111 Cb 0.62 -0.95 -0.14 0.00 -2.33 0.00 0.00 43.42 40.62 3niu n LEU 111 CO 0.42 0.69 -0.36 1.51 -1.33 0.00 0.00 177.39 178.32 3niu s ASP 112 N -6.98 0.03 -0.23 -1.43 -4.77 -0.81 -4.21 116.67 98.27 3niu s ASP 112 Ca -0.32 0.01 -0.03 0.00 -3.30 0.00 0.00 52.55 48.90 3niu s ASP 112 Cb 0.09 -0.02 0.12 0.00 -1.09 0.00 0.00 42.92 42.03 3niu s ASP 112 CO 0.61 -0.02 0.36 0.12 0.70 0.00 0.00 175.17 176.94 3niu s PHE 113 N 0.22 -0.76 -0.44 2.11 5.36 -1.26 -4.64 117.98 118.57 3niu s PHE 113 Ca -0.02 0.86 -0.10 0.00 -0.96 0.00 0.00 56.93 56.72 3niu s PHE 113 Cb -0.03 0.02 0.09 0.00 -0.34 0.00 0.00 43.02 42.76 3niu s PHE 113 CO -0.01 -0.67 0.30 0.00 -1.46 0.00 0.00 175.22 173.39 3niu s ALA 114 N 2.53 3.35 0.50 11.12 0.00 -1.26 -0.65 121.76 137.34 3niu s ALA 114 Ca 0.10 -2.28 -0.21 0.00 0.00 0.00 0.00 51.96 49.56 3niu s ALA 114 Cb -0.15 -2.74 -0.07 0.00 0.00 0.00 0.00 23.12 20.16 3niu s ALA 114 CO -0.15 -1.75 1.15 -2.14 0.00 0.00 0.00 175.76 172.87 3niu s PRO 115 N 1.42 3.59 -0.08 0.00 0.02 -1.26 -4.86 135.00 133.82 3niu s PRO 115 Ca 0.04 1.70 0.00 0.00 0.02 0.00 0.00 61.00 62.76 3niu s PRO 115 Cb -0.24 -2.23 0.08 0.00 0.02 0.00 0.00 34.50 32.13 3niu s PRO 115 CO 0.01 -0.68 1.64 -1.91 -0.33 0.00 0.00 177.00 175.74 3niu n GLU 116 N -0.84 1.22 0.00 5.54 2.13 -1.26 -1.72 120.64 125.70 3niu n GLU 116 Ca 0.09 -0.46 0.00 0.00 0.66 0.00 0.00 57.16 57.45 3niu n GLU 116 Cb 0.49 -1.18 0.00 0.00 0.27 0.00 0.00 31.44 31.02 3niu n GLU 116 CO 0.00 0.00 0.00 -2.37 -0.41 0.00 0.00 177.13 174.35 3niu n THR 117 N 0.77 0.00 -1.63 6.31 5.66 -1.24 -4.58 114.28 119.57 3niu n THR 117 Ca 0.09 0.00 0.01 0.00 -3.05 0.00 0.00 64.05 61.10 3niu n THR 117 Cb 0.59 0.00 -0.00 0.00 -1.55 0.00 0.00 70.33 69.36 3niu n THR 117 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 3niu n GLU 118 N 0.00 -0.18 -2.37 1.09 2.13 -1.26 -4.94 120.64 115.12 3niu n GLU 118 Ca 0.00 0.12 -0.00 0.00 0.66 0.00 0.00 57.16 57.93 3niu n GLU 118 Cb 0.00 -0.22 -0.00 0.00 0.27 0.00 0.00 31.44 31.49 3niu n GLU 118 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 3niu n LEU 119 N 0.00 -6.32 -0.09 4.31 4.77 -1.26 -4.93 117.00 113.49 3niu n LEU 119 Ca 0.00 2.75 -0.11 0.00 -0.03 0.00 0.00 56.01 58.62 3niu n LEU 119 Cb 0.04 -3.19 -0.15 0.00 -2.33 0.00 0.00 43.42 37.79 3niu n LEU 119 CO 0.00 -2.97 -1.07 0.61 -1.33 0.00 0.00 177.39 172.63 3niu n GLY 120 N 1.86 -0.89 0.47 -0.72 0.00 -1.26 -5.06 105.19 99.59 3niu n GLY 120 Ca -0.03 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.73 3niu n GLY 120 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3niu n SER 121 N -2.90 -0.63 -0.12 1.61 2.88 -1.26 -5.01 113.62 108.19 3niu n SER 121 Ca -0.32 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.22 3niu n SER 121 Cb 1.11 -0.32 0.00 0.00 -0.75 0.00 0.00 64.21 64.26 3niu n SER 121 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 3niu n SER 122 N -0.15 -0.16 -4.24 -3.46 2.88 -1.26 -5.14 113.62 102.09 3niu n SER 122 Ca 0.00 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.38 3niu n SER 122 Cb 0.00 -0.08 -0.11 0.00 -0.75 0.00 0.00 64.21 63.27 3niu n SER 122 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 3niu s GLU 123 N -0.07 1.04 0.00 -1.46 0.41 -1.26 -4.96 118.70 112.40 3niu s GLU 123 Ca 0.00 -1.33 0.00 0.00 -0.41 0.00 0.00 54.97 53.23 3niu s GLU 123 Cb 0.00 -0.77 0.00 0.00 -1.78 0.00 0.00 34.13 31.58 3niu s GLU 123 CO 0.00 0.13 0.36 1.58 -0.49 0.00 0.00 175.26 176.84 3niu n HIS 124 N 0.21 0.00 0.36 1.61 -0.00 -1.26 -4.66 115.22 111.47 3niu n HIS 124 Ca -0.13 -0.06 0.12 0.00 -0.00 0.00 0.00 57.72 57.65 3niu n HIS 124 Cb 0.59 -0.01 0.14 0.00 -0.00 0.00 0.00 29.99 30.71 3niu n HIS 124 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 3niu h SER 125 N 0.00 0.00 0.02 0.26 0.87 -2.01 -3.15 113.55 109.54 3niu h SER 125 Ca 0.00 -0.08 -0.09 0.00 -1.23 0.00 0.00 61.79 60.38 3niu h SER 125 Cb 0.35 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.30 3niu h SER 125 CO 0.00 0.04 -0.28 0.11 -0.53 0.00 0.00 176.83 176.17 3niu h LYS 126 N 0.00 0.40 -0.28 2.24 1.57 -1.99 -2.98 116.57 115.53 3niu h LYS 126 Ca 0.00 -0.15 -0.04 0.00 -1.87 0.00 0.00 60.65 58.58 3niu h LYS 126 Cb 0.88 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.15 3niu h LYS 126 CO 0.00 0.65 0.01 0.28 -0.57 0.00 0.00 179.45 179.82 3niu h VAL 127 N 0.35 1.25 0.00 0.50 2.07 -1.85 -1.00 116.25 117.57 3niu h VAL 127 Ca 0.05 -0.90 -0.07 0.00 0.82 0.00 0.00 66.70 66.60 3niu h VAL 127 Cb 0.68 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 3niu h VAL 127 CO 0.05 0.29 -0.32 -0.61 0.02 0.00 0.00 177.57 176.99 3niu h GLN 128 N 0.27 0.00 0.02 1.57 4.15 -1.59 0.19 115.11 119.73 3niu h GLN 128 Ca 0.08 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.50 3niu h GLN 128 Cb 0.41 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.10 3niu h GLN 128 CO 0.01 0.32 -0.01 0.00 -1.93 0.00 0.00 178.83 177.23 3niu h GLU 130 N -0.68 0.19 0.08 0.00 4.81 -1.06 -3.20 114.58 114.73 3niu h GLU 130 Ca -0.00 -0.20 -0.24 0.00 -0.13 0.00 0.00 59.36 58.78 3niu h GLU 130 Cb 0.64 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.06 3niu h GLU 130 CO 0.00 0.93 -1.27 0.93 -0.73 0.00 0.00 179.01 178.87 3niu h GLU 131 N -0.47 0.17 -0.01 1.92 5.08 -0.81 -3.40 114.58 117.07 3niu h GLU 131 Ca -0.03 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 58.03 3niu h GLU 131 Cb 1.02 0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.38 3niu h GLU 131 CO 0.05 1.14 -0.62 0.66 -1.00 0.00 0.00 179.01 179.25 3niu n TYR 132 N -4.07 0.00 -3.15 4.33 4.01 -1.18 -4.97 117.16 112.13 3niu n TYR 132 Ca -0.25 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.26 3niu n TYR 132 Cb 0.82 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.89 3niu n TYR 132 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3niu s VAL 134 N -3.16 4.97 0.55 0.00 1.01 -0.82 -4.91 120.40 118.03 3niu s VAL 134 Ca 0.35 0.80 -0.21 0.00 0.00 0.00 0.00 61.98 62.92 3niu s VAL 134 Cb -0.16 -3.96 -0.05 0.00 0.00 0.00 0.00 36.38 32.21 3niu s VAL 134 CO 0.44 -0.11 1.29 -1.58 0.00 0.00 0.00 175.10 175.14 3niu s GLN 135 N 2.52 3.18 0.00 2.72 0.74 -1.26 -4.56 119.66 123.00 3niu s GLN 135 Ca 0.24 2.05 0.00 0.00 0.05 0.00 0.00 55.36 57.70 3niu s GLN 135 Cb -0.15 -2.19 0.00 0.00 1.10 0.00 0.00 33.01 31.77 3niu s GLN 135 CO 0.11 -1.10 0.00 0.41 -0.55 0.00 0.00 175.29 174.16 3niu n GLY 136 N 0.65 4.17 7.00 2.59 0.00 -0.38 -5.00 105.19 114.22 3niu n GLY 136 Ca 0.11 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.67 3niu n GLY 136 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3niu n ASP 137 N 0.00 0.00 -0.16 1.61 8.00 -1.26 -1.07 116.55 123.67 3niu n ASP 137 Ca 0.00 0.00 0.15 0.00 0.71 0.00 0.00 54.79 55.65 3niu n ASP 137 Cb 0.00 0.00 0.76 0.00 -0.02 0.00 0.00 41.12 41.86 3niu n ASP 137 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3niu n GLU 138 N 14.00 1.12 -2.96 -1.24 -0.58 -1.26 -4.65 120.64 125.07 3niu n GLU 138 Ca 0.00 -0.32 -0.43 0.00 -0.42 0.00 0.00 57.16 55.99 3niu n GLU 138 Cb 0.00 -1.49 -0.05 0.00 -0.57 0.00 0.00 31.44 29.32 3niu n GLU 138 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3niu n PHE 140 N 6.73 1.99 -2.19 0.00 7.35 -0.20 -1.25 117.46 129.89 3niu n PHE 140 Ca 0.02 -3.97 -0.34 0.00 -0.76 0.00 0.00 57.45 52.40 3niu n PHE 140 Cb 0.48 -0.37 0.00 0.00 0.35 0.00 0.00 39.48 39.94 3niu n PHE 140 CO 0.00 0.00 0.00 -2.14 -0.76 0.00 0.00 176.76 173.86 3niu s PRO 141 N -1.25 3.36 -0.60 -7.13 0.02 -1.26 -4.35 135.00 123.79 3niu s PRO 141 Ca 0.30 1.41 -0.19 0.00 0.02 0.00 0.00 61.00 62.55 3niu s PRO 141 Cb 0.03 -2.02 0.11 0.00 0.02 0.00 0.00 34.50 32.63 3niu s PRO 141 CO -0.14 -0.81 0.71 0.42 -0.33 0.00 0.00 177.00 176.85 3niu s ILE 142 N -2.08 4.82 0.36 2.83 1.01 -0.29 -4.95 121.20 122.90 3niu s ILE 142 Ca 0.68 -1.02 -0.26 0.00 0.00 0.00 0.00 60.65 60.06 3niu s ILE 142 Cb -0.20 -4.50 -0.09 0.00 0.01 0.00 0.00 42.46 37.68 3niu s ILE 142 CO 0.30 -1.14 1.05 -0.04 0.00 0.00 0.00 174.94 175.11 3niu s MET 143 N 2.67 4.35 -0.04 2.79 -1.94 -1.26 -1.39 119.30 124.48 3niu s MET 143 Ca 0.12 1.56 -0.28 0.00 -1.71 0.00 0.00 55.69 55.39 3niu s MET 143 Cb -0.24 -2.75 -0.03 0.00 2.01 0.00 0.00 34.83 33.82 3niu s MET 143 CO 0.06 0.01 0.88 -0.06 -0.01 0.00 0.00 175.02 175.91 3niu s PHE 144 N -1.52 3.60 1.14 -0.03 2.99 -0.77 -4.59 117.98 118.81 3niu s PHE 144 Ca 0.53 1.51 -0.16 0.00 0.00 0.00 0.00 56.93 58.82 3niu s PHE 144 Cb -0.24 -3.02 0.26 0.00 0.00 0.00 0.00 43.02 40.02 3niu s PHE 144 CO 0.31 -0.02 1.07 -1.25 -0.00 0.00 0.00 175.22 175.33 3niu s PRO 145 N 1.13 -0.73 0.24 0.24 0.04 -1.26 -4.96 135.00 129.70 3niu s PRO 145 Ca 0.46 0.32 -0.31 0.00 0.04 0.00 0.00 61.00 61.52 3niu s PRO 145 Cb -0.19 -1.62 -0.11 0.00 0.04 0.00 0.00 34.50 32.62 3niu s PRO 145 CO 0.23 -3.47 1.57 0.21 0.04 0.00 0.00 177.00 175.58 3niu s LYS 146 N -5.03 4.18 -1.50 4.56 2.20 -1.26 -3.10 119.74 119.79 3niu s LYS 146 Ca 0.68 2.46 -0.03 0.00 -0.36 0.00 0.00 55.97 58.72 3niu s LYS 146 Cb -0.16 -3.08 0.00 0.00 -1.51 0.00 0.00 37.83 33.08 3niu s LYS 146 CO 0.58 -0.59 0.34 0.09 -0.36 0.00 0.00 175.35 175.42 3niu n ASN 147 N 2.90 -5.64 -4.73 1.43 5.03 -1.26 -5.00 115.26 107.99 3niu n ASN 147 Ca 0.10 -0.17 -0.41 0.00 0.87 0.00 0.00 54.58 54.97 3niu n ASN 147 Cb 0.38 -4.55 -0.04 0.00 -1.02 0.00 0.00 39.78 34.54 3niu n ASN 147 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 3niu s ASP 148 N -2.51 7.44 0.57 6.41 -1.08 -1.18 -4.94 116.67 121.38 3niu s ASP 148 Ca 0.17 1.82 0.27 0.00 -0.52 0.00 0.00 52.55 54.29 3niu s ASP 148 Cb -0.07 -2.59 1.68 0.00 -1.46 0.00 0.00 42.92 40.48 3niu s ASP 148 CO 0.21 -0.12 2.21 -0.65 0.52 0.00 0.00 175.17 177.34 3niu h PRO 149 N 5.74 0.00 0.00 4.34 0.11 -1.94 -2.58 132.00 137.67 3niu h PRO 149 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3niu h PRO 149 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3niu h PRO 149 CO 0.73 0.02 0.00 1.63 -0.21 0.00 0.00 178.00 180.17 3niu n LYS 150 N -3.91 0.20 -0.01 1.05 5.02 -1.26 -2.69 118.16 116.56 3niu n LYS 150 Ca -0.03 0.30 -0.00 0.00 -2.02 0.00 0.00 58.31 56.55 3niu n LYS 150 Cb 0.11 -1.80 0.28 0.00 -0.02 0.00 0.00 35.03 33.60 3niu n LYS 150 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 3niu h LEU 151 N 0.00 0.52 -0.07 -0.35 3.38 -1.60 -1.62 115.31 115.57 3niu h LEU 151 Ca 0.00 -0.10 -0.20 0.00 0.09 0.00 0.00 57.88 57.67 3niu h LEU 151 Cb 0.53 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 3niu h LEU 151 CO 0.00 0.58 -0.97 0.11 0.09 0.00 0.00 178.44 178.26 3niu h LYS 152 N 0.53 0.01 0.00 1.13 1.57 -1.69 -3.38 116.57 114.73 3niu h LYS 152 Ca 0.11 -0.01 -0.18 0.00 -1.87 0.00 0.00 60.65 58.70 3niu h LYS 152 Cb 0.34 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.62 3niu h LYS 152 CO 0.01 0.97 -1.70 2.41 -0.57 0.00 0.00 179.45 180.57 3niu n THR 153 N -3.40 0.70 -0.12 -0.16 -1.04 -1.23 -4.92 114.28 104.12 3niu n THR 153 Ca -0.00 -0.28 -0.22 0.00 -2.04 0.00 0.00 64.05 61.50 3niu n THR 153 Cb 0.91 -0.92 -0.07 0.00 -1.82 0.00 0.00 70.33 68.43 3niu n THR 153 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 3niu n GLN 154 N -2.81 0.57 -0.95 -2.82 7.27 -0.64 -5.13 117.38 112.88 3niu n GLN 154 Ca -0.21 0.26 0.00 0.00 0.07 0.00 0.00 57.00 57.12 3niu n GLN 154 Cb 0.74 -1.48 0.00 0.00 2.41 0.00 0.00 30.24 31.91 3niu n GLN 154 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3niu n GLY 155 N 1.34 -0.55 0.03 1.69 0.00 -1.03 -4.98 105.19 101.69 3niu n GLY 155 Ca -0.39 -0.75 0.05 0.00 0.00 0.00 0.00 46.02 44.93 3niu n GLY 155 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3niu n LYS 156 N 0.00 0.69 -3.82 1.61 5.02 -1.26 -4.04 118.16 116.36 3niu n LYS 156 Ca 0.00 -0.14 -0.09 0.00 -2.02 0.00 0.00 58.31 56.06 3niu n LYS 156 Cb 0.00 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.49 3niu n LYS 156 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3niu s MET 158 N -3.91 4.10 0.45 0.00 -1.94 -0.48 -4.95 119.30 112.56 3niu s MET 158 Ca 0.12 -0.26 -0.25 0.00 -1.71 0.00 0.00 55.69 53.59 3niu s MET 158 Cb -0.03 -3.48 -0.08 0.00 2.01 0.00 0.00 34.83 33.25 3niu s MET 158 CO 0.03 0.15 1.42 -1.25 -0.01 0.00 0.00 175.02 175.35 3niu s PRO 159 N 0.80 3.68 -0.20 2.03 0.04 -1.26 -1.13 135.00 138.95 3niu s PRO 159 Ca 0.07 2.40 -0.11 0.00 0.04 0.00 0.00 61.00 63.40 3niu s PRO 159 Cb -0.13 -2.64 0.07 0.00 0.04 0.00 0.00 34.50 31.84 3niu s PRO 159 CO 0.02 -0.82 0.47 0.12 0.04 0.00 0.00 177.00 176.84 3niu s PHE 160 N -1.21 -0.72 -0.04 0.56 2.19 -1.26 -4.82 117.98 112.67 3niu s PHE 160 Ca 0.61 1.49 0.07 0.00 0.33 0.00 0.00 56.93 59.43 3niu s PHE 160 Cb -0.43 0.35 -0.01 0.00 -1.31 0.00 0.00 43.02 41.62 3niu s PHE 160 CO 0.55 -0.39 -0.25 -0.06 1.83 0.00 0.00 175.22 176.90 3niu s PHE 161 N 1.53 2.41 0.48 10.12 0.40 -1.26 -1.04 117.98 130.62 3niu s PHE 161 Ca -0.09 -0.61 -0.23 0.00 -0.60 0.00 0.00 56.93 55.40 3niu s PHE 161 Cb -0.08 -1.57 -0.07 0.00 0.51 0.00 0.00 43.02 41.82 3niu s PHE 161 CO -0.14 -0.14 1.25 1.03 0.70 0.00 0.00 175.22 177.91 3niu s ARG 162 N -0.34 3.58 0.46 0.44 0.52 0.21 -4.84 118.95 118.99 3niu s ARG 162 Ca 0.02 1.99 -0.24 0.00 -0.52 0.00 0.00 55.73 56.98 3niu s ARG 162 Cb -0.12 -2.41 -0.07 0.00 0.52 0.00 0.00 34.95 32.86 3niu s ARG 162 CO 0.02 -0.76 1.30 0.00 0.02 0.00 0.00 175.30 175.88 3niu s ALA 163 N -1.42 3.08 0.50 2.13 0.00 -1.26 -3.65 121.76 121.15 3niu s ALA 163 Ca 0.65 1.21 -0.22 0.00 0.00 0.00 0.00 51.96 53.61 3niu s ALA 163 Cb -0.34 -3.49 -0.06 0.00 0.00 0.00 0.00 23.12 19.22 3niu s ALA 163 CO 0.41 -0.96 1.18 0.20 0.00 0.00 0.00 175.76 176.59 3niu s GLY 164 N -0.91 2.75 0.16 0.00 0.00 -0.70 -4.72 107.32 103.90 3niu s GLY 164 Ca 0.63 0.95 0.04 0.00 0.00 0.00 0.00 44.72 46.33 3niu s GLY 164 CO 0.46 1.38 -0.07 -0.11 0.00 0.00 0.00 173.10 174.77 3niu s PHE 165 N -1.58 1.26 0.88 1.90 -0.71 -1.26 -2.25 117.98 116.22 3niu s PHE 165 Ca 0.68 -0.84 -0.12 0.00 -1.04 0.00 0.00 56.93 55.61 3niu s PHE 165 Cb -0.29 -0.68 0.12 0.00 -1.21 0.00 0.00 43.02 40.96 3niu s PHE 165 CO 0.34 -0.00 1.10 0.14 -1.34 0.00 0.00 175.22 175.46 3niu s VAL 166 N -3.42 2.58 0.00 -2.49 -7.23 -0.96 -4.36 120.40 104.52 3niu s VAL 166 Ca 0.19 0.19 0.00 0.00 -1.81 0.00 0.00 61.98 60.55 3niu s VAL 166 Cb 0.04 -2.81 0.00 0.00 0.56 0.00 0.00 36.38 34.16 3niu s VAL 166 CO 0.02 -0.24 0.00 0.00 -0.31 0.00 0.00 175.10 174.56 3niu n PRO 168 N 13.70 -0.06 0.00 0.00 -0.02 -1.26 -4.66 135.00 142.69 3niu n PRO 168 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3niu n PRO 168 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 3niu n PRO 168 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 3niu n THR 169 N -1.69 0.31 -2.00 3.45 5.66 -1.26 -4.49 114.28 114.25 3niu n THR 169 Ca 0.00 -0.48 -0.29 0.00 -3.05 0.00 0.00 64.05 60.23 3niu n THR 169 Cb 0.00 1.03 0.05 0.00 -1.55 0.00 0.00 70.33 69.86 3niu n THR 169 CO 0.00 0.00 0.00 -2.84 -3.05 0.00 0.00 175.07 169.18 3niu s PRO 170 N -0.31 2.63 0.96 1.09 0.02 -1.26 -4.99 135.00 133.14 3niu s PRO 170 Ca 0.00 0.25 -0.13 0.00 0.02 0.00 0.00 61.00 61.14 3niu s PRO 170 Cb 0.00 -2.06 0.02 0.00 0.02 0.00 0.00 34.50 32.47 3niu s PRO 170 CO 0.00 -1.11 0.28 -0.35 -0.33 0.00 0.00 177.00 175.49 3niu n PRO 171 N -2.99 -0.26 -4.14 5.54 -0.04 -1.26 -4.94 135.00 126.91 3niu n PRO 171 Ca 0.07 -0.04 -0.12 0.00 -0.04 0.00 0.00 63.50 63.37 3niu n PRO 171 Cb 0.58 -1.77 -0.08 0.00 -0.04 0.00 0.00 33.50 32.19 3niu n PRO 171 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 3niu s TYR 172 N -2.36 0.96 0.25 0.54 5.04 -1.26 -5.11 117.35 115.42 3niu s TYR 172 Ca 0.55 -1.21 0.12 0.00 -2.44 0.00 0.00 57.07 54.09 3niu s TYR 172 Cb -0.21 -0.33 -0.05 0.00 0.35 0.00 0.00 41.96 41.72 3niu s TYR 172 CO 0.69 -0.78 -0.21 -0.65 -1.34 0.00 0.00 175.55 173.27 3niu s GLN 173 N -4.02 1.61 1.05 4.97 -0.21 -1.26 -4.98 119.66 116.82 3niu s GLN 173 Ca 0.34 -1.69 0.00 0.00 0.02 0.00 0.00 55.36 54.03 3niu s GLN 173 Cb 0.04 -1.74 0.00 0.00 1.00 0.00 0.00 33.01 32.31 3niu s GLN 173 CO 0.12 0.34 0.00 -1.13 -2.12 0.00 0.00 175.29 172.50 3niu n SER 174 N -0.36 -1.24 0.00 5.90 3.41 -1.26 -5.03 113.62 115.04 3niu n SER 174 Ca -0.07 0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 3niu n SER 174 Cb 0.59 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.43 3niu n SER 174 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 3niu n LEU 175 N 0.00 0.00 -4.48 1.04 7.94 -1.26 -4.57 117.00 115.67 3niu n LEU 175 Ca 0.00 0.00 -0.55 0.00 -1.11 0.00 0.00 56.01 54.35 3niu n LEU 175 Cb 0.02 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 43.90 3niu n LEU 175 CO 0.00 0.00 0.44 0.00 -1.11 0.00 0.00 177.39 176.72 3niu n ALA 176 N 0.00 -3.15 -1.72 1.96 0.00 -1.26 -4.77 120.51 111.57 3niu n ALA 176 Ca 0.00 0.54 -0.42 0.00 0.00 0.00 0.00 53.44 53.56 3niu n ALA 176 Cb 0.00 -1.75 -0.03 0.00 0.00 0.00 0.00 19.45 17.67 3niu n ALA 176 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3niu n ARG 177 N 1.42 2.70 -4.69 0.00 0.63 0.37 -5.02 116.66 112.07 3niu n ARG 177 Ca 0.19 0.97 -0.28 0.00 -0.92 0.00 0.00 57.85 57.81 3niu n ARG 177 Cb 0.14 -2.79 -0.14 0.00 0.45 0.00 0.00 32.46 30.12 3niu n ARG 177 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 3niu s ASP 178 N 0.92 2.94 0.21 6.15 1.01 -1.26 -4.94 116.67 121.71 3niu s ASP 178 Ca 0.72 -0.61 0.01 0.00 0.71 0.00 0.00 52.55 53.38 3niu s ASP 178 Cb -0.52 -0.24 -0.04 0.00 1.01 0.00 0.00 42.92 43.13 3niu s ASP 178 CO 0.38 0.20 0.38 -1.10 0.21 0.00 0.00 175.17 175.25 3niu s GLN 179 N -1.42 3.49 0.04 8.23 1.11 -1.26 -2.25 119.66 127.60 3niu s GLN 179 Ca 0.10 -0.45 -0.19 0.00 0.01 0.00 0.00 55.36 54.84 3niu s GLN 179 Cb -0.10 -2.85 -0.06 0.00 -1.01 0.00 0.00 33.01 28.99 3niu s GLN 179 CO 0.03 0.40 0.56 0.42 0.01 0.00 0.00 175.29 176.70 3niu s ILE 180 N -1.91 4.82 -0.35 1.08 1.01 -0.95 -0.39 121.20 124.51 3niu s ILE 180 Ca 0.37 1.18 -0.13 0.00 0.00 0.00 0.00 60.65 62.07 3niu s ILE 180 Cb -0.11 -3.88 -0.01 0.00 0.01 0.00 0.00 42.46 38.47 3niu s ILE 180 CO 0.30 0.52 0.24 0.21 0.00 0.00 0.00 174.94 176.20 3niu s ASN 181 N -0.84 5.99 0.00 3.58 2.47 -0.39 -4.01 114.94 121.73 3niu s ASN 181 Ca 0.29 -0.55 0.12 0.00 0.42 0.00 0.00 52.86 53.14 3niu s ASN 181 Cb -0.19 -2.12 0.41 0.00 -1.45 0.00 0.00 41.25 37.90 3niu s ASN 181 CO 0.18 -0.27 1.31 0.00 -3.72 0.00 0.00 177.10 174.60 3niu n ALA 182 N 5.09 2.48 -2.38 1.71 0.00 0.17 -0.20 120.51 127.38 3niu n ALA 182 Ca -0.12 -0.47 -0.19 0.00 0.00 0.00 0.00 53.44 52.65 3niu n ALA 182 Cb 0.49 -1.02 -0.10 0.00 0.00 0.00 0.00 19.45 18.82 3niu n ALA 182 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3niu s VAL 183 N -1.69 1.51 0.05 0.00 1.01 -1.26 -4.40 120.40 115.62 3niu s VAL 183 Ca 0.22 -2.12 -0.28 0.00 0.00 0.00 0.00 61.98 59.80 3niu s VAL 183 Cb 0.12 -2.32 -0.05 0.00 0.00 0.00 0.00 36.38 34.13 3niu s VAL 183 CO 0.16 -0.38 0.90 0.42 0.00 0.00 0.00 175.10 176.20 3niu s THR 184 N -3.11 4.70 0.48 3.92 -4.23 -1.26 -4.09 115.64 112.05 3niu s THR 184 Ca 0.27 1.92 0.28 0.00 -1.18 0.00 0.00 61.69 62.98 3niu s THR 184 Cb 0.03 -4.25 0.31 0.00 1.34 0.00 0.00 72.50 69.93 3niu s THR 184 CO 0.10 0.28 2.14 0.28 -0.54 0.00 0.00 174.62 176.87 3niu h SER 185 N 6.02 0.00 -4.12 3.99 0.02 -1.51 -3.40 113.55 114.56 3niu h SER 185 Ca -0.42 0.00 -0.47 0.00 -0.84 0.00 0.00 61.79 60.05 3niu h SER 185 Cb 1.21 0.00 0.03 0.00 0.14 0.00 0.00 62.40 63.78 3niu h SER 185 CO 0.73 0.08 0.38 -0.36 -1.14 0.00 0.00 176.83 176.51 3niu s PHE 186 N -4.35 3.06 -1.18 3.45 0.08 -1.26 -4.80 117.98 112.97 3niu s PHE 186 Ca -0.04 1.55 -0.16 0.00 0.12 0.00 0.00 56.93 58.40 3niu s PHE 186 Cb 0.14 -3.01 0.13 0.00 -0.57 0.00 0.00 43.02 39.71 3niu s PHE 186 CO 0.57 -0.82 1.48 -1.17 -0.10 0.00 0.00 175.22 175.19 3niu s LEU 187 N -3.81 4.57 -0.08 -0.37 2.96 -1.26 -4.72 118.68 115.97 3niu s LEU 187 Ca 0.65 -2.58 0.12 0.00 -0.22 0.00 0.00 54.13 52.09 3niu s LEU 187 Cb -0.15 -2.47 0.18 0.00 0.50 0.00 0.00 46.19 44.25 3niu s LEU 187 CO 0.25 -0.97 1.08 -0.90 -1.32 0.00 0.00 176.35 174.49 3niu n ASP 188 N 6.83 2.04 -3.18 3.68 5.75 -1.26 -4.64 116.55 125.76 3niu n ASP 188 Ca 0.38 -2.65 -0.18 0.00 -0.01 0.00 0.00 54.79 52.33 3niu n ASP 188 Cb 0.45 -0.28 0.08 0.00 -1.03 0.00 0.00 41.12 40.34 3niu n ASP 188 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3niu n ALA 189 N -1.04 -1.52 -0.16 2.12 0.00 -1.26 -4.68 120.51 113.97 3niu n ALA 189 Ca 0.10 0.12 -0.02 0.00 0.00 0.00 0.00 53.44 53.64 3niu n ALA 189 Cb 0.53 -3.38 0.19 0.00 0.00 0.00 0.00 19.45 16.79 3niu n ALA 189 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3niu h SER 190 N -1.99 0.82 0.44 0.00 0.02 -1.88 -2.74 113.55 108.24 3niu h SER 190 Ca -0.51 -0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 60.30 3niu h SER 190 Cb 1.31 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 63.64 3niu h SER 190 CO 0.46 0.75 -0.08 0.17 -1.14 0.00 0.00 176.83 176.99 3niu h LEU 191 N 0.88 0.00 0.12 5.07 8.10 -1.86 0.25 115.31 127.88 3niu h LEU 191 Ca 0.21 0.00 -0.20 0.00 0.11 0.00 0.00 57.88 57.99 3niu h LEU 191 Cb 0.20 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 40.43 3niu h LEU 191 CO -0.02 0.08 -0.97 0.58 -4.11 0.00 0.00 178.44 174.01 3niu h VAL 192 N 0.00 1.36 0.00 0.15 2.07 -1.83 0.24 116.25 118.25 3niu h VAL 192 Ca -0.00 -2.47 0.00 0.00 0.82 0.00 0.00 66.70 65.04 3niu h VAL 192 Cb 0.33 3.03 0.00 0.00 -1.52 0.00 0.00 31.29 33.13 3niu h VAL 192 CO 0.01 0.69 -1.45 -1.22 0.02 0.00 0.00 177.57 175.62 3niu n TYR 193 N -4.10 0.00 0.00 1.57 4.02 -1.06 -3.39 117.16 114.20 3niu n TYR 193 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.71 3niu n TYR 193 Cb 0.82 -0.26 0.00 0.00 -0.02 0.00 0.00 39.34 39.88 3niu n TYR 193 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3niu n GLY 194 N 1.47 1.19 0.32 2.72 0.00 0.85 -4.05 105.19 107.69 3niu n GLY 194 Ca -0.01 -1.80 0.03 0.00 0.00 0.00 0.00 46.02 44.24 3niu n GLY 194 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3niu n SER 195 N -0.43 2.47 -4.08 1.61 7.64 -1.26 -4.80 113.62 114.78 3niu n SER 195 Ca 0.00 -2.03 -0.20 0.00 1.01 0.00 0.00 58.87 57.64 3niu n SER 195 Cb 0.00 -0.12 -0.15 0.00 -1.01 0.00 0.00 64.21 62.93 3niu n SER 195 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 3niu s GLU 196 N -1.06 0.93 0.00 1.43 2.02 -1.26 -4.02 118.70 116.75 3niu s GLU 196 Ca 0.12 -0.47 0.00 0.00 0.02 0.00 0.00 54.97 54.64 3niu s GLU 196 Cb 0.07 -0.90 0.00 0.00 0.10 0.00 0.00 34.13 33.39 3niu s GLU 196 CO 0.08 0.24 0.41 -2.30 0.02 0.00 0.00 175.26 173.71 3niu n PRO 197 N 2.64 0.27 0.00 0.39 -0.02 -1.26 -1.95 135.00 135.07 3niu n PRO 197 Ca -0.15 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.33 3niu n PRO 197 Cb 0.56 -1.37 0.00 0.00 -0.02 0.00 0.00 33.50 32.67 3niu n PRO 197 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3niu n LEU 199 N 1.41 0.00 -0.20 2.45 7.94 -1.26 -3.19 117.00 124.15 3niu n LEU 199 Ca 0.00 0.00 0.06 0.00 -1.11 0.00 0.00 56.01 54.96 3niu n LEU 199 Cb 0.13 0.00 0.34 0.00 0.53 0.00 0.00 43.42 44.43 3niu n LEU 199 CO 0.00 0.00 1.22 0.00 -1.11 0.00 0.00 177.39 177.50 3niu h ALA 200 N 0.00 1.69 -0.04 1.96 0.00 -1.53 -1.89 119.26 119.45 3niu h ALA 200 Ca 0.00 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.67 3niu h ALA 200 Cb 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.59 3niu h ALA 200 CO 0.00 0.19 -0.87 0.77 0.00 0.00 0.00 179.25 179.34 3niu h SER 201 N 0.78 0.61 -0.03 0.00 0.02 -1.83 -3.18 113.55 109.93 3niu h SER 201 Ca 0.32 -0.45 0.01 0.00 -0.84 0.00 0.00 61.79 60.83 3niu h SER 201 Cb 0.27 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 62.62 3niu h SER 201 CO -0.11 1.23 0.02 0.03 -1.14 0.00 0.00 176.83 176.86 3niu h ARG 202 N 0.30 0.00 -0.01 3.45 3.08 -1.66 -2.47 114.38 117.06 3niu h ARG 202 Ca -0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.98 3niu h ARG 202 Cb 1.49 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.54 3niu h ARG 202 CO 0.16 0.00 -0.09 1.28 -1.07 0.00 0.00 179.97 180.24 3niu n LEU 203 N -4.43 1.32 -4.87 3.04 4.77 -0.93 -4.88 117.00 111.02 3niu n LEU 203 Ca -0.02 -0.41 -0.34 0.00 -0.03 0.00 0.00 56.01 55.20 3niu n LEU 203 Cb 0.12 -0.05 -0.06 0.00 -2.33 0.00 0.00 43.42 41.10 3niu n LEU 203 CO 0.33 0.23 -0.18 -0.13 -1.33 0.00 0.00 177.39 176.31 3niu s ARG 204 N -2.18 3.37 -0.92 3.23 0.52 -0.93 -0.54 118.95 121.49 3niu s ARG 204 Ca 0.33 -0.29 -0.20 0.00 -0.52 0.00 0.00 55.73 55.05 3niu s ARG 204 Cb 0.20 -3.08 0.11 0.00 0.52 0.00 0.00 34.95 32.70 3niu s ARG 204 CO 0.40 0.70 1.17 1.21 0.02 0.00 0.00 175.30 178.81 3niu s ASN 205 N -1.60 6.56 0.00 0.23 3.84 0.47 -4.45 114.94 120.00 3niu s ASN 205 Ca 0.22 -1.83 0.25 0.00 0.21 0.00 0.00 52.86 51.72 3niu s ASN 205 Cb -0.12 -2.43 0.50 0.00 -0.55 0.00 0.00 41.25 38.65 3niu s ASN 205 CO 0.13 -1.18 1.41 0.18 -2.79 0.00 0.00 177.10 174.84 3niu n LEU 206 N 7.10 1.07 -0.14 3.21 4.77 -1.26 -3.92 117.00 127.82 3niu n LEU 206 Ca 0.23 -0.30 -0.11 0.00 -0.03 0.00 0.00 56.01 55.80 3niu n LEU 206 Cb 0.49 -0.12 0.01 0.00 -2.33 0.00 0.00 43.42 41.47 3niu n LEU 206 CO 0.55 0.21 0.65 0.28 -1.33 0.00 0.00 177.39 177.75 3niu h SER 207 N 1.04 0.98 -3.20 -1.43 0.02 -1.98 -3.43 113.55 105.55 3niu h SER 207 Ca 0.00 -0.39 -0.56 0.00 -0.84 0.00 0.00 61.79 60.01 3niu h SER 207 Cb 0.54 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.78 3niu h SER 207 CO 0.00 1.17 -0.24 -0.94 -1.14 0.00 0.00 176.83 175.68 3niu s SER 208 N -6.75 6.50 -0.43 3.07 1.04 -1.25 -5.00 113.70 110.87 3niu s SER 208 Ca -0.11 0.67 -0.01 0.00 0.48 0.00 0.00 55.95 56.98 3niu s SER 208 Cb 0.12 -2.12 0.33 0.00 0.10 0.00 0.00 66.02 64.45 3niu s SER 208 CO 0.87 -0.02 1.96 -0.81 0.98 0.00 0.00 173.24 176.21 3niu n PRO 209 N -0.19 2.10 0.00 4.02 -0.04 -1.26 -4.39 135.00 135.24 3niu n PRO 209 Ca -0.02 -2.21 0.07 0.00 -0.04 0.00 0.00 63.50 61.30 3niu n PRO 209 Cb 0.52 -1.87 -0.04 0.00 -0.04 0.00 0.00 33.50 32.07 3niu n PRO 209 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3niu n LEU 210 N -0.24 1.17 -1.33 1.53 4.77 -1.26 -3.09 117.00 118.55 3niu n LEU 210 Ca 0.43 -0.64 -0.09 0.00 -0.03 0.00 0.00 56.01 55.68 3niu n LEU 210 Cb 0.73 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.83 3niu n LEU 210 CO 0.52 0.24 -0.02 0.61 -1.33 0.00 0.00 177.39 177.42 3niu n GLY 211 N 1.24 0.16 3.91 -0.72 0.00 -1.24 -4.68 105.19 103.86 3niu n GLY 211 Ca 0.05 -0.42 -0.28 0.00 0.00 0.00 0.00 46.02 45.37 3niu n GLY 211 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3niu s LEU 212 N -2.98 3.98 0.44 0.99 1.43 -1.26 -3.68 118.68 117.59 3niu s LEU 212 Ca 0.11 0.72 -0.21 0.00 -1.03 0.00 0.00 54.13 53.71 3niu s LEU 212 Cb -0.05 -3.56 -0.11 0.00 0.03 0.00 0.00 46.19 42.50 3niu s LEU 212 CO 0.13 -0.28 0.96 -0.04 0.23 0.00 0.00 176.35 177.36 3niu s MET 213 N -3.89 4.18 0.37 1.70 -1.94 -1.26 -0.39 119.30 118.07 3niu s MET 213 Ca 0.44 1.16 -0.27 0.00 -1.71 0.00 0.00 55.69 55.31 3niu s MET 213 Cb -0.10 -2.18 -0.09 0.00 2.01 0.00 0.00 34.83 34.46 3niu s MET 213 CO 0.33 -0.08 1.31 0.00 -0.01 0.00 0.00 175.02 176.57 3niu s ALA 214 N -2.14 3.37 0.28 3.03 0.00 0.30 -4.42 121.76 122.17 3niu s ALA 214 Ca 0.62 1.25 0.10 0.00 0.00 0.00 0.00 51.96 53.93 3niu s ALA 214 Cb -0.10 -3.48 -0.05 0.00 0.00 0.00 0.00 23.12 19.48 3niu s ALA 214 CO 0.14 -0.74 -0.14 0.14 0.00 0.00 0.00 175.76 175.16 3niu s VAL 215 N -1.21 2.13 0.29 0.00 -7.23 -1.26 -4.44 120.40 108.68 3niu s VAL 215 Ca 0.53 -2.28 -0.29 0.00 -1.81 0.00 0.00 61.98 58.13 3niu s VAL 215 Cb -0.39 -2.34 -0.10 0.00 0.56 0.00 0.00 36.38 34.11 3niu s VAL 215 CO 0.51 -0.39 1.40 0.21 -0.31 0.00 0.00 175.10 176.52 3niu s ASN 216 N -3.48 6.66 0.00 4.85 3.84 -0.32 -4.55 114.94 121.94 3niu s ASN 216 Ca 0.29 2.71 0.15 0.00 0.21 0.00 0.00 52.86 56.23 3niu s ASN 216 Cb -0.01 -2.64 -0.03 0.00 -0.55 0.00 0.00 41.25 38.02 3niu s ASN 216 CO 0.13 -0.66 0.80 0.00 -2.79 0.00 0.00 177.10 174.58 3niu n GLN 217 N 1.63 1.77 -0.07 0.43 1.13 -1.26 -4.55 117.38 116.46 3niu n GLN 217 Ca 0.04 -0.67 -0.10 0.00 -1.94 0.00 0.00 57.00 54.33 3niu n GLN 217 Cb 0.41 -1.25 -0.15 0.00 0.11 0.00 0.00 30.24 29.36 3niu n GLN 217 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 3niu n GLU 218 N -0.32 0.67 -4.04 -1.09 1.02 -1.26 -4.99 120.64 110.63 3niu n GLU 218 Ca 0.06 0.11 -0.11 0.00 -0.02 0.00 0.00 57.16 57.20 3niu n GLU 218 Cb 0.31 -1.62 -0.11 0.00 -0.02 0.00 0.00 31.44 30.00 3niu n GLU 218 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3niu s ALA 219 N -2.53 0.43 0.03 0.62 0.00 -1.26 -5.17 121.76 113.88 3niu s ALA 219 Ca -0.10 -0.75 0.00 0.00 0.00 0.00 0.00 51.96 51.11 3niu s ALA 219 Cb 0.07 0.10 -0.03 0.00 0.00 0.00 0.00 23.12 23.26 3niu s ALA 219 CO 0.82 -0.10 -0.04 -1.58 0.00 0.00 0.00 175.76 174.87 3niu s TRP 220 N -1.63 0.38 -0.85 0.00 0.52 -1.26 -4.63 118.94 111.46 3niu s TRP 220 Ca -0.10 -0.66 0.00 0.00 0.02 0.00 0.00 56.10 55.36 3niu s TRP 220 Cb -0.08 -0.27 0.24 0.00 -1.15 0.00 0.00 33.47 32.21 3niu s TRP 220 CO -0.01 -0.22 0.86 -3.47 0.02 0.00 0.00 176.95 174.13 3niu n ASP 221 N 1.20 4.33 -3.63 2.95 2.03 -0.63 -4.72 116.55 118.08 3niu n ASP 221 Ca -0.21 -3.26 -0.24 0.00 0.52 0.00 0.00 54.79 51.60 3niu n ASP 221 Cb 0.56 -0.97 0.07 0.00 -0.72 0.00 0.00 41.12 40.07 3niu n ASP 221 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 3niu n HIS 222 N 1.78 -2.73 -0.70 -0.67 8.25 -1.26 -1.98 115.22 117.91 3niu n HIS 222 Ca 0.24 0.99 0.00 0.00 -0.26 0.00 0.00 57.72 58.69 3niu n HIS 222 Cb 0.37 -4.88 0.00 0.00 1.12 0.00 0.00 29.99 26.60 3niu n HIS 222 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3niu n GLY 223 N -1.88 0.79 3.85 -1.41 0.00 -1.26 -5.06 105.19 100.23 3niu n GLY 223 Ca -0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.73 3niu n GLY 223 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3niu s LEU 224 N 0.00 4.02 0.54 0.99 1.43 -0.84 -5.10 118.68 119.72 3niu s LEU 224 Ca 0.00 -0.00 -0.18 0.00 -1.03 0.00 0.00 54.13 52.92 3niu s LEU 224 Cb 0.00 -2.62 -0.06 0.00 0.03 0.00 0.00 46.19 43.54 3niu s LEU 224 CO 0.00 0.07 1.04 0.00 0.23 0.00 0.00 176.35 177.69 3niu s ALA 225 N -1.72 2.84 0.23 4.21 0.00 -1.26 -1.60 121.76 124.46 3niu s ALA 225 Ca 0.32 0.45 0.10 0.00 0.00 0.00 0.00 51.96 52.84 3niu s ALA 225 Cb -0.11 -3.22 -0.05 0.00 0.00 0.00 0.00 23.12 19.74 3niu s ALA 225 CO 0.25 -0.52 -0.19 0.71 0.00 0.00 0.00 175.76 176.01 3niu s TYR 226 N -2.29 2.09 0.59 0.00 4.12 -1.26 -4.79 117.35 115.82 3niu s TYR 226 Ca 0.64 -0.41 -0.19 0.00 0.02 0.00 0.00 57.07 57.13 3niu s TYR 226 Cb -0.15 -0.96 -0.03 0.00 -1.52 0.00 0.00 41.96 39.29 3niu s TYR 226 CO 0.29 0.54 1.25 -2.14 0.02 0.00 0.00 175.55 175.51 3niu s PRO 227 N -3.26 2.92 0.54 -1.71 0.02 -1.26 -1.18 135.00 131.07 3niu s PRO 227 Ca 0.24 1.95 -0.22 0.00 0.02 0.00 0.00 61.00 62.99 3niu s PRO 227 Cb -0.05 -1.97 -0.05 0.00 0.02 0.00 0.00 34.50 32.45 3niu s PRO 227 CO 0.11 -1.28 1.35 -2.14 -0.33 0.00 0.00 177.00 174.71 3niu s PRO 228 N -3.25 3.16 0.24 5.54 0.02 -1.26 -4.04 135.00 135.41 3niu s PRO 228 Ca 0.77 2.20 -0.30 0.00 0.02 0.00 0.00 61.00 63.70 3niu s PRO 228 Cb -0.34 -2.25 -0.09 0.00 0.02 0.00 0.00 34.50 31.84 3niu s PRO 228 CO 0.37 -1.17 1.22 -0.06 -0.33 0.00 0.00 177.00 177.03 3niu s PHE 229 N -1.32 3.35 -0.80 6.54 0.08 -1.26 -0.90 117.98 123.67 3niu s PHE 229 Ca 0.71 1.45 -0.25 0.00 0.12 0.00 0.00 56.93 58.96 3niu s PHE 229 Cb -0.40 -3.48 0.04 0.00 -0.57 0.00 0.00 43.02 38.62 3niu s PHE 229 CO 0.47 -1.31 1.27 1.21 -0.10 0.00 0.00 175.22 176.76 3niu s ASN 230 N -0.22 6.26 -0.17 1.36 2.47 -0.02 -4.77 114.94 119.86 3niu s ASN 230 Ca 0.51 -0.82 0.00 0.00 0.42 0.00 0.00 52.86 52.97 3niu s ASN 230 Cb -0.35 -2.54 0.16 0.00 -1.45 0.00 0.00 41.25 37.07 3niu s ASN 230 CO 0.41 -1.68 1.73 0.59 -3.72 0.00 0.00 177.10 174.44 3niu n ASN 231 N 8.93 4.98 -4.65 -4.21 3.02 -1.26 -4.50 115.26 117.57 3niu n ASN 231 Ca 0.10 -2.68 -0.38 0.00 -0.03 0.00 0.00 54.58 51.58 3niu n ASN 231 Cb 0.49 -0.90 -0.08 0.00 -0.61 0.00 0.00 39.78 38.68 3niu n ASN 231 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3niu s VAL 232 N -1.24 5.21 -0.02 2.41 1.01 -1.26 -5.08 120.40 121.42 3niu s VAL 232 Ca 0.18 0.62 0.02 0.00 0.00 0.00 0.00 61.98 62.80 3niu s VAL 232 Cb 0.15 -3.70 -0.03 0.00 0.00 0.00 0.00 36.38 32.79 3niu s VAL 232 CO 0.01 0.23 -0.05 -0.54 0.00 0.00 0.00 175.10 174.76 3niu s LYS 233 N 1.51 2.67 0.59 2.72 1.02 -1.26 -4.05 119.74 122.93 3niu s LYS 233 Ca 0.17 -0.64 -0.13 0.00 0.02 0.00 0.00 55.97 55.38 3niu s LYS 233 Cb -0.15 -2.58 -0.05 0.00 -0.52 0.00 0.00 37.83 34.54 3niu s LYS 233 CO 0.08 0.63 1.02 -1.25 -0.92 0.00 0.00 175.35 174.91 3niu s PRO 234 N -1.28 3.64 -0.15 -1.68 0.05 -1.26 -5.17 135.00 129.14 3niu s PRO 234 Ca 0.16 0.89 -0.03 0.00 0.05 0.00 0.00 61.00 62.07 3niu s PRO 234 Cb -0.11 -2.09 -0.03 0.00 0.05 0.00 0.00 34.50 32.33 3niu s PRO 234 CO 0.06 -0.54 -0.05 0.45 0.05 0.00 0.00 177.00 176.98 3niu s SER 235 N -3.60 4.70 0.36 6.66 0.15 -1.26 -5.00 113.70 115.72 3niu s SER 235 Ca 0.58 -0.14 0.04 0.00 0.70 0.00 0.00 55.95 57.13 3niu s SER 235 Cb -0.11 -1.73 0.68 0.00 -1.71 0.00 0.00 66.02 63.15 3niu s SER 235 CO 0.44 0.18 1.97 -0.65 1.20 0.00 0.00 173.24 176.39 3niu h PRO 236 N 6.59 0.64 -0.07 5.44 0.11 -1.92 -2.50 132.00 140.29 3niu h PRO 236 Ca -0.32 -0.07 -0.12 0.00 0.11 0.00 0.00 66.00 65.60 3niu h PRO 236 Cb 1.19 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 3niu h PRO 236 CO 0.61 0.50 -0.49 0.00 -0.21 0.00 0.00 178.00 178.42 3niu h GLU 238 N 0.15 0.45 -0.85 0.00 5.08 -1.55 -3.32 114.58 114.54 3niu h GLU 238 Ca 0.01 -0.30 -0.00 0.00 -1.00 0.00 0.00 59.36 58.07 3niu h GLU 238 Cb 0.91 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 30.16 3niu h GLU 238 CO 0.07 0.90 0.53 0.35 -1.00 0.00 0.00 179.01 179.86 3niu h PHE 239 N 0.34 1.10 0.00 4.33 3.57 -1.22 -2.68 116.94 122.37 3niu h PHE 239 Ca -0.00 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 3niu h PHE 239 Cb 1.11 -0.36 0.00 0.00 2.79 0.00 0.00 35.95 39.49 3niu h PHE 239 CO 0.04 0.72 0.00 0.44 -2.23 0.00 0.00 178.31 177.28 3niu n ILE 240 N -4.45 0.63 -3.14 1.41 -6.64 -1.20 -4.22 119.36 101.74 3niu n ILE 240 Ca 0.09 0.16 0.03 0.00 -1.77 0.00 0.00 62.75 61.25 3niu n ILE 240 Cb 0.04 -0.85 -0.00 0.00 -1.44 0.00 0.00 39.64 37.38 3niu n ILE 240 CO 0.00 0.00 0.00 0.21 -1.77 0.00 0.00 176.55 174.99 3niu s ASN 241 N -2.81 -1.39 0.28 7.28 3.84 -1.02 -5.05 114.94 116.07 3niu s ASN 241 Ca 0.13 -0.21 0.03 0.00 0.21 0.00 0.00 52.86 53.01 3niu s ASN 241 Cb 0.12 1.82 0.41 0.00 -0.55 0.00 0.00 41.25 43.05 3niu s ASN 241 CO 0.30 -0.21 1.71 0.74 -2.79 0.00 0.00 177.10 176.85 3niu h THR 242 N 5.29 1.28 -0.12 -5.21 2.02 -1.70 -2.88 112.91 111.58 3niu h THR 242 Ca 0.00 -1.34 -0.05 0.00 0.77 0.00 0.00 66.41 65.79 3niu h THR 242 Cb 1.19 1.44 -0.01 0.00 -1.74 0.00 0.00 68.15 69.03 3niu h THR 242 CO 0.09 0.42 -0.16 0.74 0.37 0.00 0.00 175.52 176.99 3niu h THR 243 N 0.37 1.18 0.09 3.16 2.02 -1.97 -3.23 112.91 114.53 3niu h THR 243 Ca 0.05 -0.80 -0.26 0.00 0.77 0.00 0.00 66.41 66.16 3niu h THR 243 Cb 0.72 1.26 -0.01 0.00 -1.74 0.00 0.00 68.15 68.38 3niu h THR 243 CO 0.06 0.25 -1.23 0.00 0.37 0.00 0.00 175.52 174.97 3niu h ALA 244 N 1.66 0.21 -6.09 6.16 0.00 -1.87 -3.48 119.26 115.85 3niu h ALA 244 Ca 0.04 -0.94 -0.43 0.00 0.00 0.00 0.00 54.91 53.58 3niu h ALA 244 Cb 0.39 0.01 0.05 0.00 0.00 0.00 0.00 17.79 18.24 3niu h ALA 244 CO 0.02 1.09 -0.75 0.72 0.00 0.00 0.00 179.25 180.34 3niu n HIS 245 N -3.46 -2.41 -3.70 0.00 8.25 -1.20 -4.98 115.22 107.73 3niu n HIS 245 Ca -0.07 0.93 -0.39 0.00 -0.26 0.00 0.00 57.72 57.93 3niu n HIS 245 Cb 1.00 -4.45 -0.12 0.00 1.12 0.00 0.00 29.99 27.55 3niu n HIS 245 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3niu s VAL 246 N -3.37 4.08 0.94 1.59 1.01 -1.26 -5.03 120.40 118.35 3niu s VAL 246 Ca 0.48 -0.99 -0.12 0.00 0.00 0.00 0.00 61.98 61.36 3niu s VAL 246 Cb -0.23 -3.27 0.15 0.00 0.00 0.00 0.00 36.38 33.03 3niu s VAL 246 CO 0.79 -0.17 1.12 -2.84 0.00 0.00 0.00 175.10 174.00 3niu s PRO 247 N 1.47 0.91 0.58 2.72 0.02 -1.26 -3.56 135.00 135.86 3niu s PRO 247 Ca 0.00 0.40 -0.17 0.00 0.02 0.00 0.00 61.00 61.25 3niu s PRO 247 Cb -0.19 -1.80 -0.04 0.00 0.02 0.00 0.00 34.50 32.48 3niu s PRO 247 CO 0.04 -2.38 1.09 0.00 -0.33 0.00 0.00 177.00 175.42 3niu s PHE 249 N -2.14 3.01 -0.41 0.00 0.08 -1.26 -0.84 117.98 116.41 3niu s PHE 249 Ca 0.68 1.58 -0.10 0.00 0.12 0.00 0.00 56.93 59.21 3niu s PHE 249 Cb -0.20 -3.20 0.07 0.00 -0.57 0.00 0.00 43.02 39.13 3niu s PHE 249 CO 0.32 -1.04 0.26 -1.14 -0.10 0.00 0.00 175.22 173.52 3niu s GLN 250 N -2.87 2.65 0.22 0.44 0.74 -0.08 -4.66 119.66 116.10 3niu s GLN 250 Ca 0.64 -1.40 0.00 0.00 0.05 0.00 0.00 55.36 54.65 3niu s GLN 250 Cb -0.22 -3.79 -0.00 0.00 1.10 0.00 0.00 33.01 30.10 3niu s GLN 250 CO 0.27 -0.92 0.01 0.00 -0.55 0.00 0.00 175.29 174.10 3niu n ALA 251 N 4.94 0.20 -0.00 1.58 0.00 -1.26 -4.40 120.51 121.57 3niu n ALA 251 Ca -0.10 -1.00 0.01 0.00 0.00 0.00 0.00 53.44 52.35 3niu n ALA 251 Cb 0.43 0.56 0.32 0.00 0.00 0.00 0.00 19.45 20.77 3niu n ALA 251 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3niu h GLY 252 N 0.57 0.57 -5.29 0.00 0.00 -0.54 -3.41 103.07 94.96 3niu h GLY 252 Ca -0.18 -0.31 -0.67 0.00 0.00 0.00 0.00 47.33 46.17 3niu h GLY 252 CO 0.30 0.29 -0.58 -0.35 0.00 0.00 0.00 176.54 176.20 3niu s ASP 253 N -6.72 5.61 0.13 0.19 2.15 -0.92 -4.05 116.67 113.07 3niu s ASP 253 Ca -0.08 0.22 0.25 0.00 0.43 0.00 0.00 52.55 53.37 3niu s ASP 253 Cb 0.16 -1.65 0.94 0.00 -0.30 0.00 0.00 42.92 42.07 3niu s ASP 253 CO 0.76 0.36 1.77 -1.54 -0.17 0.00 0.00 175.17 176.34 3niu n SER 254 N 1.85 0.44 -0.29 -0.34 3.41 -1.26 -3.16 113.62 114.27 3niu n SER 254 Ca -0.17 0.56 0.14 0.00 -0.26 0.00 0.00 58.87 59.14 3niu n SER 254 Cb 0.54 -0.67 0.59 0.00 -0.26 0.00 0.00 64.21 64.40 3niu n SER 254 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3niu n ARG 255 N -1.94 1.24 -0.32 4.33 1.74 -1.26 -4.52 116.66 115.92 3niu n ARG 255 Ca 0.05 -0.59 0.35 0.00 -0.77 0.00 0.00 57.85 56.89 3niu n ARG 255 Cb 0.33 -1.49 0.64 0.00 -1.02 0.00 0.00 32.46 30.92 3niu n ARG 255 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3niu h ALA 256 N 4.05 3.13 -0.48 7.54 0.00 -1.88 0.46 119.26 132.08 3niu h ALA 256 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3niu h ALA 256 Cb 0.39 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3niu h ALA 256 CO 0.00 -1.75 0.00 0.43 0.00 0.00 0.00 179.25 177.93 3niu n SER 257 N -3.64 4.02 -0.03 0.00 7.64 -1.26 -2.60 113.62 117.75 3niu n SER 257 Ca 0.27 -2.44 0.11 0.00 1.01 0.00 0.00 58.87 57.83 3niu n SER 257 Cb 1.50 -0.47 0.52 0.00 -1.01 0.00 0.00 64.21 64.75 3niu n SER 257 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 3niu h GLU 258 N 2.98 0.35 -2.94 1.43 4.22 -1.24 -2.76 114.58 116.60 3niu h GLU 258 Ca 0.00 -0.02 -0.10 0.00 0.08 0.00 0.00 59.36 59.32 3niu h GLU 258 Cb 1.23 -0.08 -0.19 0.00 0.50 0.00 0.00 28.75 30.22 3niu h GLU 258 CO 0.16 0.23 -0.18 1.14 -2.18 0.00 0.00 179.01 178.18 3niu s GLN 259 N -5.34 0.79 0.34 1.92 -2.07 -1.26 -2.13 119.66 111.92 3niu s GLN 259 Ca -0.07 -0.22 0.08 0.00 -1.82 0.00 0.00 55.36 53.33 3niu s GLN 259 Cb 0.19 0.35 0.80 0.00 -1.09 0.00 0.00 33.01 33.26 3niu s GLN 259 CO 0.74 -0.24 1.85 0.97 -1.32 0.00 0.00 175.29 177.29 3niu h ILE 260 N 3.47 0.82 0.00 3.63 2.10 -1.71 -2.36 117.51 123.46 3niu h ILE 260 Ca -0.30 -0.25 -0.17 0.00 1.08 0.00 0.00 64.86 65.22 3niu h ILE 260 Cb 1.18 0.04 -0.02 0.00 -1.09 0.00 0.00 36.82 36.92 3niu h ILE 260 CO 0.42 0.13 -0.81 -0.07 -1.08 0.00 0.00 178.15 176.73 3niu h LEU 261 N 0.72 0.00 -0.47 2.19 3.38 -1.94 -2.56 115.31 116.63 3niu h LEU 261 Ca 0.47 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.30 3niu h LEU 261 Cb 0.75 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 3niu h LEU 261 CO -0.23 0.81 -0.26 0.25 0.09 0.00 0.00 178.44 179.10 3niu h LEU 262 N 0.00 1.02 -1.38 1.67 5.85 -1.72 -2.64 115.31 118.12 3niu h LEU 262 Ca -0.01 -0.41 -0.05 0.00 0.84 0.00 0.00 57.88 58.25 3niu h LEU 262 Cb 1.57 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 42.30 3niu h LEU 262 CO 0.11 1.21 -0.17 0.00 -0.34 0.00 0.00 178.44 179.25 3niu h ALA 263 N 0.85 1.49 -0.11 1.25 0.00 -1.23 -2.16 119.26 119.35 3niu h ALA 263 Ca 0.10 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3niu h ALA 263 Cb 0.85 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 3niu h ALA 263 CO 0.08 0.37 0.03 1.15 0.00 0.00 0.00 179.25 180.87 3niu h THR 264 N 0.19 1.19 -0.10 0.00 2.02 -1.21 -1.99 112.91 113.01 3niu h THR 264 Ca 0.04 -0.58 -0.13 0.00 0.77 0.00 0.00 66.41 66.51 3niu h THR 264 Cb 0.42 1.36 -0.01 0.00 -1.74 0.00 0.00 68.15 68.17 3niu h THR 264 CO 0.03 0.17 -0.53 0.58 0.37 0.00 0.00 175.52 176.14 3niu h VAL 265 N -0.01 1.35 -0.63 3.16 2.07 -1.39 -2.09 116.25 118.70 3niu h VAL 265 Ca 0.04 -1.80 0.02 0.00 0.82 0.00 0.00 66.70 65.78 3niu h VAL 265 Cb 0.24 1.86 -0.03 0.00 -1.52 0.00 0.00 31.29 31.83 3niu h VAL 265 CO -0.00 0.54 0.42 0.45 0.02 0.00 0.00 177.57 179.00 3niu h HIS 266 N 0.22 0.75 -0.11 1.57 3.86 -1.33 -0.88 115.15 119.24 3niu h HIS 266 Ca 0.01 0.02 -0.19 0.00 -1.16 0.00 0.00 60.37 59.04 3niu h HIS 266 Cb 1.01 -0.25 0.01 0.00 1.06 0.00 0.00 27.41 29.23 3niu h HIS 266 CO 0.02 0.45 -0.67 1.15 0.86 0.00 0.00 177.93 179.75 3niu h THR 267 N 0.79 1.32 -0.50 2.45 2.02 -0.89 -1.13 112.91 116.98 3niu h THR 267 Ca 0.25 -1.94 0.04 0.00 0.77 0.00 0.00 66.41 65.53 3niu h THR 267 Cb 0.01 2.14 -0.04 0.00 -1.74 0.00 0.00 68.15 68.52 3niu h THR 267 CO -0.06 0.60 0.25 -0.07 0.37 0.00 0.00 175.52 176.61 3niu h LEU 268 N 0.31 0.37 -0.96 2.58 3.38 -1.17 -0.77 115.31 119.04 3niu h LEU 268 Ca -0.05 0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.84 3niu h LEU 268 Cb 1.31 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 42.00 3niu h LEU 268 CO 0.14 0.26 -0.34 -0.07 0.09 0.00 0.00 178.44 178.51 3niu h LEU 269 N 0.50 0.34 -0.35 1.67 3.38 -1.11 -1.25 115.31 118.49 3niu h LEU 269 Ca 0.22 -0.13 -0.15 0.00 0.09 0.00 0.00 57.88 57.91 3niu h LEU 269 Cb 0.12 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3niu h LEU 269 CO -0.15 0.66 -0.36 0.25 0.09 0.00 0.00 178.44 178.94 3niu h LEU 270 N 0.29 0.92 -1.15 1.67 5.85 -1.01 -3.09 115.31 118.79 3niu h LEU 270 Ca 0.03 -0.47 -0.08 0.00 0.84 0.00 0.00 57.88 58.20 3niu h LEU 270 Cb 0.74 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 3niu h LEU 270 CO 0.06 1.20 -0.33 0.03 -0.34 0.00 0.00 178.44 179.06 3niu h ARG 271 N 0.66 0.17 -0.53 1.25 3.08 -0.88 -2.82 114.38 115.30 3niu h ARG 271 Ca 0.06 -0.06 -0.08 0.00 0.07 0.00 0.00 59.98 59.96 3niu h ARG 271 Cb 0.95 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.96 3niu h ARG 271 CO 0.09 0.49 -0.00 1.49 -1.07 0.00 0.00 179.97 180.96 3niu h GLU 272 N 0.15 0.91 0.10 0.04 4.57 -1.23 -1.42 114.58 117.71 3niu h GLU 272 Ca 0.02 -0.26 -0.00 0.00 -1.18 0.00 0.00 59.36 57.93 3niu h GLU 272 Cb 0.66 -0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 29.15 3niu h GLU 272 CO 0.05 0.90 -0.06 1.25 -1.18 0.00 0.00 179.01 179.97 3niu h HIS 273 N 0.84 -0.14 -0.03 0.92 2.76 -1.42 -1.47 115.15 116.61 3niu h HIS 273 Ca 0.16 -0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.26 3niu h HIS 273 Cb 0.50 0.05 -0.01 0.00 1.55 0.00 0.00 27.41 29.50 3niu h HIS 273 CO 0.03 -0.09 -0.28 -0.91 -1.30 0.00 0.00 177.93 175.38 3niu h ASN 274 N -0.15 0.05 -0.01 3.26 4.21 -1.44 -0.67 115.58 120.82 3niu h ASN 274 Ca -0.01 -0.01 -0.00 0.00 1.21 0.00 0.00 56.30 57.48 3niu h ASN 274 Cb 0.12 -0.01 -0.00 0.00 -1.12 0.00 0.00 38.32 37.31 3niu h ASN 274 CO 0.02 0.33 -0.01 -0.09 -1.29 0.00 0.00 177.43 176.39 3niu h ARG 275 N 0.04 0.03 -0.80 0.81 2.43 -1.13 -2.58 114.38 113.18 3niu h ARG 275 Ca 0.01 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.17 3niu h ARG 275 Cb 0.53 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.04 3niu h ARG 275 CO 0.04 0.50 0.53 -0.07 -1.51 0.00 0.00 179.97 179.45 3niu h LEU 276 N -0.44 0.91 -1.02 3.80 3.38 -1.05 -1.80 115.31 119.10 3niu h LEU 276 Ca 0.00 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 3niu h LEU 276 Cb 0.49 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 3niu h LEU 276 CO 0.00 0.66 0.05 0.00 0.09 0.00 0.00 178.44 179.24 3niu h ALA 277 N 1.30 1.20 0.00 1.53 0.00 -1.16 0.16 119.26 122.29 3niu h ALA 277 Ca 0.30 -0.23 -0.15 0.00 0.00 0.00 0.00 54.91 54.83 3niu h ALA 277 Cb -0.11 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 3niu h ALA 277 CO -0.07 0.54 -0.72 0.00 0.00 0.00 0.00 179.25 179.00 3niu h ARG 278 N 0.72 0.00 0.08 0.00 3.08 -1.21 -2.56 114.38 114.49 3niu h ARG 278 Ca 0.15 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 59.93 3niu h ARG 278 Cb 0.37 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.44 3niu h ARG 278 CO 0.01 0.72 -1.14 0.93 -1.07 0.00 0.00 179.97 179.42 3niu h GLU 279 N 0.00 0.51 0.00 0.04 4.39 -0.95 -2.82 114.58 115.76 3niu h GLU 279 Ca -0.01 -0.65 0.00 0.00 0.34 0.00 0.00 59.36 59.04 3niu h GLU 279 Cb 1.30 0.21 0.00 0.00 -0.10 0.00 0.00 28.75 30.16 3niu h GLU 279 CO 0.09 1.27 0.00 -0.07 -1.16 0.00 0.00 179.01 179.14 3niu h LEU 280 N 0.24 0.00 -0.01 1.33 3.38 -0.73 -2.59 115.31 116.94 3niu h LEU 280 Ca -0.14 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.57 3niu h LEU 280 Cb 1.80 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.56 3niu h LEU 280 CO 0.21 0.00 -1.12 0.50 0.09 0.00 0.00 178.44 178.12 3niu h LYS 281 N 0.00 0.35 -0.25 1.13 1.63 -1.47 -2.02 116.57 115.94 3niu h LYS 281 Ca 0.00 -0.49 -0.02 0.00 -0.85 0.00 0.00 60.65 59.30 3niu h LYS 281 Cb 0.60 0.16 -0.01 0.00 -0.60 0.00 0.00 32.23 32.39 3niu h LYS 281 CO 0.00 1.18 0.08 0.00 -3.45 0.00 0.00 179.45 177.27 3niu h ARG 282 N 0.15 0.39 -0.01 1.90 3.08 -1.22 -2.52 114.38 116.15 3niu h ARG 282 Ca -0.12 -0.08 -0.16 0.00 0.07 0.00 0.00 59.98 59.70 3niu h ARG 282 Cb 1.80 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 31.77 3niu h ARG 282 CO 0.19 0.45 -0.72 -0.07 -1.07 0.00 0.00 179.97 178.75 3niu h LEU 283 N 0.24 0.06 -6.71 3.04 3.38 -1.58 -3.39 115.31 110.35 3niu h LEU 283 Ca 0.08 -0.04 -0.60 0.00 0.09 0.00 0.00 57.88 57.41 3niu h LEU 283 Cb 0.22 -0.02 -0.40 0.00 0.09 0.00 0.00 40.66 40.56 3niu h LEU 283 CO -0.00 0.76 -0.79 0.20 0.09 0.00 0.00 178.44 178.69 3niu s ASN 284 N -6.84 3.00 0.59 -0.43 0.01 -0.76 -4.54 114.94 105.99 3niu s ASN 284 Ca -0.01 -3.29 0.38 0.00 -0.71 0.00 0.00 52.86 49.22 3niu s ASN 284 Cb 0.12 -0.96 1.80 0.00 0.41 0.00 0.00 41.25 42.62 3niu s ASN 284 CO 0.79 -0.15 2.15 -0.65 -1.51 0.00 0.00 177.10 177.72 3niu h PRO 285 N 5.71 0.00 0.00 -0.60 0.11 -1.66 -2.85 132.00 132.72 3niu h PRO 285 Ca 0.18 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.26 3niu h PRO 285 Cb 0.85 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.96 3niu h PRO 285 CO 0.51 0.01 -0.14 1.12 -0.21 0.00 0.00 178.00 179.30 3niu h HIS 286 N 0.00 0.00 -3.79 0.65 2.07 -1.93 -3.46 115.15 108.70 3niu h HIS 286 Ca -0.00 0.00 -0.52 0.00 -2.85 0.00 0.00 60.37 57.00 3niu h HIS 286 Cb 0.30 0.00 0.06 0.00 2.57 0.00 0.00 27.41 30.34 3niu h HIS 286 CO 0.00 0.14 0.65 -1.58 -3.07 0.00 0.00 177.93 174.07 3niu s TRP 287 N -3.23 3.06 0.78 6.12 0.52 -1.08 -5.04 118.94 120.07 3niu s TRP 287 Ca 0.05 1.36 -0.08 0.00 0.02 0.00 0.00 56.10 57.45 3niu s TRP 287 Cb 0.06 -3.69 0.12 0.00 -1.15 0.00 0.00 33.47 28.81 3niu s TRP 287 CO 0.67 -1.95 1.10 0.16 0.02 0.00 0.00 176.95 176.95 3niu s ASP 288 N -0.33 4.20 0.24 2.95 -4.77 -1.26 -4.89 116.67 112.80 3niu s ASP 288 Ca 0.51 0.17 -0.07 0.00 -3.30 0.00 0.00 52.55 49.86 3niu s ASP 288 Cb -0.40 -0.58 0.26 0.00 -1.09 0.00 0.00 42.92 41.11 3niu s ASP 288 CO 0.51 -1.99 1.89 1.23 0.70 0.00 0.00 175.17 177.51 3niu h GLY 289 N -0.87 1.27 0.94 2.12 0.00 -1.87 -1.88 103.07 102.79 3niu h GLY 289 Ca -0.42 -0.44 -0.00 0.00 0.00 0.00 0.00 47.33 46.47 3niu h GLY 289 CO 0.48 0.39 0.06 -2.09 0.00 0.00 0.00 176.54 175.38 3niu h GLU 290 N 1.13 0.13 -0.26 4.80 4.57 -1.95 -0.29 114.58 122.72 3niu h GLU 290 Ca 0.34 -0.01 -0.07 0.00 -1.18 0.00 0.00 59.36 58.44 3niu h GLU 290 Cb -0.03 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.52 3niu h GLU 290 CO -0.11 0.16 -0.16 1.98 -1.18 0.00 0.00 179.01 179.70 3niu h MET 291 N 0.08 0.44 -0.12 1.92 4.05 -1.92 0.36 114.93 119.74 3niu h MET 291 Ca 0.03 -0.13 -0.02 0.00 -0.28 0.00 0.00 59.70 59.30 3niu h MET 291 Cb 0.06 -0.04 -0.00 0.00 -0.80 0.00 0.00 31.60 30.81 3niu h MET 291 CO -0.01 0.60 0.00 -0.07 0.23 0.00 0.00 176.91 177.67 3niu h LEU 292 N 0.41 0.20 -0.32 3.39 3.38 -1.15 0.66 115.31 121.87 3niu h LEU 292 Ca 0.07 -0.30 0.03 0.00 0.09 0.00 0.00 57.88 57.77 3niu h LEU 292 Cb 0.53 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 3niu h LEU 292 CO 0.03 0.45 0.15 0.22 0.09 0.00 0.00 178.44 179.38 3niu h TYR 293 N -0.05 0.27 -0.24 1.13 3.20 -0.84 -1.70 116.97 118.73 3niu h TYR 293 Ca 0.03 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.87 3niu h TYR 293 Cb 0.35 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.53 3niu h TYR 293 CO 0.03 0.14 -0.04 1.96 -1.64 0.00 0.00 178.16 178.61 3niu h GLN 294 N 0.31 0.46 -0.24 1.82 1.08 -0.88 -1.13 115.11 116.52 3niu h GLN 294 Ca 0.14 -0.17 -0.08 0.00 -1.45 0.00 0.00 58.65 57.09 3niu h GLN 294 Cb 0.07 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.45 3niu h GLN 294 CO -0.11 0.67 -0.20 0.93 -0.95 0.00 0.00 178.83 179.18 3niu h GLU 295 N 0.20 0.44 -0.05 1.46 4.39 -0.84 -1.16 114.58 119.02 3niu h GLU 295 Ca 0.06 -0.14 -0.01 0.00 0.34 0.00 0.00 59.36 59.61 3niu h GLU 295 Cb 0.50 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.11 3niu h GLU 295 CO 0.02 0.62 -0.03 0.00 -1.16 0.00 0.00 179.01 178.47 3niu h ALA 296 N 1.40 0.07 -0.99 3.43 0.00 -1.28 -2.77 119.26 119.11 3niu h ALA 296 Ca 0.07 -0.23 0.16 0.00 0.00 0.00 0.00 54.91 54.90 3niu h ALA 296 Cb 0.58 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.26 3niu h ALA 296 CO 0.04 -0.19 0.62 -0.09 0.00 0.00 0.00 179.25 179.63 3niu h ARG 297 N -0.30 0.81 -0.34 0.00 2.43 -1.01 -1.18 114.38 114.80 3niu h ARG 297 Ca 0.01 -0.05 -0.16 0.00 -0.81 0.00 0.00 59.98 58.98 3niu h ARG 297 Cb 0.47 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 3niu h ARG 297 CO 0.01 0.54 -0.41 -0.22 -1.51 0.00 0.00 179.97 178.37 3niu h LYS 298 N 0.84 0.83 -0.22 0.20 3.64 -1.18 -1.61 116.57 119.07 3niu h LYS 298 Ca 0.53 -0.45 -0.11 0.00 -1.27 0.00 0.00 60.65 59.35 3niu h LYS 298 Cb 0.72 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.56 3niu h LYS 298 CO -0.30 1.08 -0.29 0.82 -2.27 0.00 0.00 179.45 178.49 3niu h ILE 299 N 0.67 1.32 -0.72 2.00 2.04 -1.14 -2.30 117.51 119.38 3niu h ILE 299 Ca 0.05 -1.48 -0.05 0.00 1.00 0.00 0.00 64.86 64.38 3niu h ILE 299 Cb 0.99 1.76 -0.03 0.00 -0.74 0.00 0.00 36.82 38.79 3niu h ILE 299 CO 0.09 0.46 0.26 0.25 0.00 0.00 0.00 178.15 179.21 3niu h LEU 300 N 0.28 1.02 -0.96 1.44 5.85 -1.23 0.11 115.31 121.82 3niu h LEU 300 Ca 0.03 -0.17 -0.08 0.00 0.84 0.00 0.00 57.88 58.50 3niu h LEU 300 Cb 0.86 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.61 3niu h LEU 300 CO 0.07 0.92 -0.07 1.23 -0.34 0.00 0.00 178.44 180.25 3niu h GLY 301 N 1.10 0.73 0.80 3.75 0.00 -1.31 -1.58 103.07 106.56 3niu h GLY 301 Ca 0.24 -0.51 -0.03 0.00 0.00 0.00 0.00 47.33 47.04 3niu h GLY 301 CO -0.01 0.47 0.00 0.00 0.00 0.00 0.00 176.54 177.00 3niu h ALA 302 N 1.30 0.23 -0.34 3.60 0.00 -0.93 -2.31 119.26 120.81 3niu h ALA 302 Ca 0.12 -0.20 0.07 0.00 0.00 0.00 0.00 54.91 54.90 3niu h ALA 302 Cb 0.50 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.14 3niu h ALA 302 CO 0.03 -0.06 -0.32 0.35 0.00 0.00 0.00 179.25 179.24 3niu h PHE 303 N 0.06 -0.90 -0.63 0.00 3.57 -0.55 0.25 116.94 118.74 3niu h PHE 303 Ca 0.05 0.05 0.02 0.00 3.53 0.00 0.00 57.97 61.62 3niu h PHE 303 Cb 0.38 0.44 -0.03 0.00 2.79 0.00 0.00 35.95 39.53 3niu h PHE 303 CO 0.03 -0.38 0.42 0.82 -2.23 0.00 0.00 178.31 176.97 3niu h ILE 304 N -0.29 1.12 -0.48 1.41 2.04 -1.28 -0.13 117.51 119.91 3niu h ILE 304 Ca 0.15 -0.28 -0.13 0.00 1.00 0.00 0.00 64.86 65.61 3niu h ILE 304 Cb 0.54 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 3niu h ILE 304 CO -0.49 0.15 -0.22 1.56 0.00 0.00 0.00 178.15 179.15 3niu h GLN 305 N 0.80 0.98 0.23 2.37 4.20 -0.67 -2.64 115.11 120.38 3niu h GLN 305 Ca 0.24 -0.42 -0.01 0.00 0.06 0.00 0.00 58.65 58.52 3niu h GLN 305 Cb -0.01 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.74 3niu h GLN 305 CO -0.06 1.09 -0.11 0.82 -0.67 0.00 0.00 178.83 179.90 3niu h ILE 306 N 0.85 0.80 -0.81 2.54 2.04 0.44 -2.56 117.51 120.81 3niu h ILE 306 Ca 0.11 -0.82 0.06 0.00 1.00 0.00 0.00 64.86 65.21 3niu h ILE 306 Cb 0.79 1.23 -0.06 0.00 -0.74 0.00 0.00 36.82 38.04 3niu h ILE 306 CO 0.07 0.16 0.49 0.40 0.00 0.00 0.00 178.15 179.27 3niu h ILE 307 N -0.76 1.03 -0.36 -0.67 1.08 -1.16 0.38 117.51 117.03 3niu h ILE 307 Ca -0.03 -0.31 -0.03 0.00 -0.39 0.00 0.00 64.86 64.10 3niu h ILE 307 Cb 0.50 0.05 -0.02 0.00 -3.07 0.00 0.00 36.82 34.28 3niu h ILE 307 CO 0.05 0.16 0.12 0.74 -0.69 0.00 0.00 178.15 178.54 3niu h THR 308 N 0.90 1.21 0.02 -0.27 2.02 -1.53 -1.53 112.91 113.73 3niu h THR 308 Ca 0.35 -0.66 -0.28 0.00 0.77 0.00 0.00 66.41 66.60 3niu h THR 308 Cb 0.17 0.96 -0.04 0.00 -1.74 0.00 0.00 68.15 67.50 3niu h THR 308 CO -0.17 0.23 -1.53 -0.26 0.37 0.00 0.00 175.52 174.16 3niu h PHE 309 N 0.43 0.09 0.10 3.16 -1.00 -1.17 0.14 116.94 118.69 3niu h PHE 309 Ca 0.12 -0.07 -0.29 0.00 2.81 0.00 0.00 57.97 60.54 3niu h PHE 309 Cb 0.24 -0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.78 3niu h PHE 309 CO 0.01 1.10 -1.52 -0.09 -1.61 0.00 0.00 178.31 176.19 3niu h ARG 310 N 0.01 0.22 0.00 1.51 2.43 -1.03 -3.41 114.38 114.12 3niu h ARG 310 Ca -0.22 -0.38 -0.31 0.00 -0.81 0.00 0.00 59.98 58.25 3niu h ARG 310 Cb 1.96 0.14 -0.06 0.00 -0.42 0.00 0.00 29.97 31.59 3niu h ARG 310 CO 0.10 1.18 -2.19 -0.25 -1.51 0.00 0.00 179.97 177.31 3niu n ASP 311 N -3.89 2.35 -0.04 -3.80 8.00 -0.90 -4.66 116.55 113.61 3niu n ASP 311 Ca -0.27 -0.10 -0.03 0.00 0.71 0.00 0.00 54.79 55.10 3niu n ASP 311 Cb 0.91 -0.34 -0.02 0.00 -0.02 0.00 0.00 41.12 41.65 3niu n ASP 311 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 3niu h TYR 312 N -0.03 -0.03 -0.49 1.24 3.20 -1.14 -3.38 116.97 116.35 3niu h TYR 312 Ca -0.47 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.40 3niu h TYR 312 Cb 1.71 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 39.97 3niu h TYR 312 CO 0.02 0.13 0.31 -0.07 -1.64 0.00 0.00 178.16 176.91 3niu h LEU 313 N -1.00 0.57 -2.11 2.82 3.38 -0.96 -2.66 115.31 115.35 3niu h LEU 313 Ca -0.00 -0.04 0.07 0.00 0.09 0.00 0.00 57.88 57.99 3niu h LEU 313 Cb 0.17 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3niu h LEU 313 CO 0.01 0.44 0.32 -0.65 0.09 0.00 0.00 178.44 178.65 3niu h PRO 314 N 0.65 0.00 0.00 1.13 0.11 -1.78 0.11 132.00 132.22 3niu h PRO 314 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 3niu h PRO 314 Cb -0.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.07 3niu h PRO 314 CO -0.04 0.00 -1.13 0.44 -0.21 0.00 0.00 178.00 177.07 3niu n ILE 315 N -3.54 0.02 -0.08 4.15 -5.35 -1.02 -2.66 119.36 110.88 3niu n ILE 315 Ca 0.03 -0.12 -0.15 0.00 -0.27 0.00 0.00 62.75 62.24 3niu n ILE 315 Cb 0.45 0.67 -0.09 0.00 -1.74 0.00 0.00 39.64 38.92 3niu n ILE 315 CO 0.00 0.00 0.00 0.58 -1.76 0.00 0.00 176.55 175.37 3niu h VAL 316 N 0.00 0.94 0.01 7.28 2.07 -0.96 -3.25 116.25 122.34 3niu h VAL 316 Ca 0.00 -1.94 -0.21 0.00 0.82 0.00 0.00 66.70 65.37 3niu h VAL 316 Cb 0.61 2.02 -0.03 0.00 -1.52 0.00 0.00 31.29 32.37 3niu h VAL 316 CO 0.00 0.32 -1.01 -0.07 0.02 0.00 0.00 177.57 176.83 3niu h LEU 317 N -1.00 0.04 0.00 2.57 3.38 -1.03 0.89 115.31 120.15 3niu h LEU 317 Ca -0.17 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.76 3niu h LEU 317 Cb 0.98 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.72 3niu h LEU 317 CO -0.10 1.02 0.00 0.61 0.09 0.00 0.00 178.44 180.06 3niu n GLY 318 N 1.33 1.44 0.14 0.83 0.00 -1.09 -2.80 105.19 105.04 3niu n GLY 318 Ca -0.01 -0.58 0.12 0.00 0.00 0.00 0.00 46.02 45.55 3niu n GLY 318 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3niu n SER 319 N 4.84 0.70 0.00 1.61 3.41 -0.89 -2.06 113.62 121.23 3niu n SER 319 Ca 0.00 0.68 0.15 0.00 -0.26 0.00 0.00 58.87 59.44 3niu n SER 319 Cb 0.00 -0.83 0.82 0.00 -0.26 0.00 0.00 64.21 63.95 3niu n SER 319 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3niu n GLU 320 N -2.28 0.66 0.25 4.33 -0.58 -1.12 -4.25 120.64 117.64 3niu n GLU 320 Ca 0.02 0.00 -0.16 0.00 -0.42 0.00 0.00 57.16 56.60 3niu n GLU 320 Cb 0.22 -1.50 -0.08 0.00 -0.57 0.00 0.00 31.44 29.51 3niu n GLU 320 CO 0.00 0.00 0.00 1.98 -0.48 0.00 0.00 177.13 178.63 3niu h MET 321 N 0.00 -0.58 0.00 3.49 4.05 -1.57 -2.82 114.93 117.50 3niu h MET 321 Ca 0.00 0.04 -0.04 0.00 -0.28 0.00 0.00 59.70 59.42 3niu h MET 321 Cb 0.16 0.13 -0.01 0.00 -0.80 0.00 0.00 31.60 31.09 3niu h MET 321 CO 0.00 -0.39 -0.18 -0.56 0.23 0.00 0.00 176.91 176.01 3niu h GLN 322 N -0.60 0.00 -0.65 0.39 3.07 -1.74 0.14 115.11 115.72 3niu h GLN 322 Ca -0.05 0.00 -0.07 0.00 0.09 0.00 0.00 58.65 58.62 3niu h GLN 322 Cb 0.48 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.01 3niu h GLN 322 CO 0.08 0.18 0.13 -0.22 0.09 0.00 0.00 178.83 179.09 3niu h LYS 323 N 0.00 1.04 0.00 0.06 3.64 -1.74 -3.32 116.57 116.25 3niu h LYS 323 Ca -0.00 -0.25 -0.19 0.00 -1.27 0.00 0.00 60.65 58.94 3niu h LYS 323 Cb 0.78 -0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 32.43 3niu h LYS 323 CO 0.02 0.94 -1.70 0.91 -2.27 0.00 0.00 179.45 177.35 3niu n TRP 324 N -4.23 0.00 -3.92 1.91 7.02 -1.08 -4.82 117.44 112.33 3niu n TRP 324 Ca 0.05 0.00 -0.29 0.00 -1.02 0.00 0.00 57.50 56.23 3niu n TRP 324 Cb 0.27 -0.50 -0.13 0.00 -2.42 0.00 0.00 31.31 28.52 3niu n TRP 324 CO 0.00 0.00 0.00 0.42 -2.02 0.00 0.00 177.69 176.09 3niu s ILE 325 N -2.25 2.64 0.79 -0.99 1.01 0.47 -4.59 121.20 118.28 3niu s ILE 325 Ca -0.07 -3.66 -0.12 0.00 0.00 0.00 0.00 60.65 56.81 3niu s ILE 325 Cb 0.03 -2.79 0.07 0.00 0.01 0.00 0.00 42.46 39.78 3niu s ILE 325 CO 0.40 -0.89 1.13 -2.16 0.00 0.00 0.00 174.94 173.43 3niu s PRO 326 N -0.71 2.14 0.64 2.79 0.04 -1.25 -4.26 135.00 134.39 3niu s PRO 326 Ca 0.20 0.35 -0.17 0.00 0.04 0.00 0.00 61.00 61.42 3niu s PRO 326 Cb -0.17 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.38 3niu s PRO 326 CO -0.07 -1.52 0.84 -2.30 0.04 0.00 0.00 177.00 173.99 3niu n PRO 327 N -3.31 0.66 -1.88 0.56 -0.02 -1.26 -4.87 135.00 124.87 3niu n PRO 327 Ca 0.07 0.27 -0.42 0.00 -2.02 0.00 0.00 63.50 61.40 3niu n PRO 327 Cb 0.59 -2.06 -0.03 0.00 -0.02 0.00 0.00 33.50 31.97 3niu n PRO 327 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3niu s TYR 328 N -1.66 2.97 -0.26 6.00 5.04 -1.26 -4.91 117.35 123.26 3niu s TYR 328 Ca 0.73 0.53 0.03 0.00 -2.44 0.00 0.00 57.07 55.92 3niu s TYR 328 Cb -0.39 -3.98 0.08 0.00 0.35 0.00 0.00 41.96 38.01 3niu s TYR 328 CO 0.50 -3.69 1.02 1.04 -1.34 0.00 0.00 175.55 173.08 3niu n GLN 329 N 4.12 2.61 0.00 4.97 1.13 -1.26 -5.11 117.38 123.84 3niu n GLN 329 Ca 0.15 -1.55 0.00 0.00 -1.94 0.00 0.00 57.00 53.65 3niu n GLN 329 Cb 0.38 -1.07 0.00 0.00 0.11 0.00 0.00 30.24 29.66 3niu n GLN 329 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3niu n GLY 330 N -0.19 1.47 3.71 1.08 0.00 -1.26 -4.99 105.19 105.01 3niu n GLY 330 Ca 0.03 -1.99 -0.42 0.00 0.00 0.00 0.00 46.02 43.64 3niu n GLY 330 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3niu s TYR 331 N -2.12 3.22 -0.24 1.61 5.04 -1.26 -4.88 117.35 118.72 3niu s TYR 331 Ca 0.00 1.02 0.02 0.00 -2.44 0.00 0.00 57.07 55.67 3niu s TYR 331 Cb 0.00 -3.61 0.05 0.00 0.35 0.00 0.00 41.96 38.75 3niu s TYR 331 CO 0.00 -2.10 -0.13 1.21 -1.34 0.00 0.00 175.55 173.19 3niu s ASN 332 N 1.24 4.04 0.00 4.32 3.84 -0.45 -5.01 114.94 122.92 3niu s ASN 332 Ca 0.63 -1.17 0.19 0.00 0.21 0.00 0.00 52.86 52.71 3niu s ASN 332 Cb -0.34 -1.52 0.78 0.00 -0.55 0.00 0.00 41.25 39.63 3niu s ASN 332 CO 0.29 -0.14 1.55 -0.46 -2.79 0.00 0.00 177.10 175.55 3niu n ASN 333 N 4.49 1.15 -0.76 -4.21 6.94 -1.26 -2.94 115.26 118.67 3niu n ASN 333 Ca -0.16 -1.66 0.12 0.00 -0.02 0.00 0.00 54.58 52.86 3niu n ASN 333 Cb 0.44 -0.08 0.32 0.00 -2.36 0.00 0.00 39.78 38.10 3niu n ASN 333 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 3niu n SER 334 N -0.00 2.31 -4.71 0.53 7.64 -1.26 -4.91 113.62 113.21 3niu n SER 334 Ca 0.14 -1.79 -0.37 0.00 1.01 0.00 0.00 58.87 57.87 3niu n SER 334 Cb 0.24 -0.09 -0.07 0.00 -1.01 0.00 0.00 64.21 63.27 3niu n SER 334 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3niu s VAL 335 N -1.82 5.29 -0.41 0.44 1.01 -1.15 -5.04 120.40 118.72 3niu s VAL 335 Ca 0.34 0.55 -0.29 0.00 0.00 0.00 0.00 61.98 62.59 3niu s VAL 335 Cb 0.20 -3.64 0.01 0.00 0.00 0.00 0.00 36.38 32.95 3niu s VAL 335 CO 0.30 0.37 1.45 -0.62 0.00 0.00 0.00 175.10 176.60 3niu s ASP 336 N 0.59 6.27 0.00 3.32 -1.08 -1.26 -4.60 116.67 119.92 3niu s ASP 336 Ca 0.16 0.84 0.29 0.00 -0.52 0.00 0.00 52.55 53.33 3niu s ASP 336 Cb -0.13 -2.54 1.19 0.00 -1.46 0.00 0.00 42.92 39.98 3niu s ASP 336 CO 0.04 -1.48 1.89 -0.81 0.52 0.00 0.00 175.17 175.33 3niu n PRO 337 N 8.15 0.05 -1.75 4.34 -0.05 -1.26 -4.60 135.00 139.88 3niu n PRO 337 Ca 0.17 -0.01 -0.40 0.00 -0.05 0.00 0.00 63.50 63.22 3niu n PRO 337 Cb 0.48 -1.50 0.02 0.00 -0.05 0.00 0.00 33.50 32.45 3niu n PRO 337 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 175.50 175.99 3niu n ARG 338 N -1.47 2.13 -2.63 0.54 1.74 -1.26 -4.51 116.66 111.20 3niu n ARG 338 Ca 0.08 0.76 -0.42 0.00 -0.77 0.00 0.00 57.85 57.50 3niu n ARG 338 Cb 0.33 -2.59 -0.03 0.00 -1.02 0.00 0.00 32.46 29.15 3niu n ARG 338 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3niu s ILE 339 N -1.21 4.65 0.57 0.55 -1.09 -1.26 -4.86 121.20 118.56 3niu s ILE 339 Ca 0.62 1.92 -0.14 0.00 -2.23 0.00 0.00 60.65 60.82 3niu s ILE 339 Cb -0.45 -4.23 -0.05 0.00 -1.58 0.00 0.00 42.46 36.14 3niu s ILE 339 CO 0.57 0.06 1.02 -0.94 -1.23 0.00 0.00 174.94 174.41 3niu s SER 340 N 1.13 6.28 0.19 3.58 1.04 -1.26 -1.62 113.70 123.04 3niu s SER 340 Ca 0.52 1.56 -0.12 0.00 0.48 0.00 0.00 55.95 58.39 3niu s SER 340 Cb -0.21 -2.50 0.11 0.00 0.10 0.00 0.00 66.02 63.51 3niu s SER 340 CO 0.22 -0.83 1.82 -1.13 0.98 0.00 0.00 173.24 174.30 3niu h ASN 341 N 0.33 0.79 0.35 7.02 -0.73 -1.53 -2.83 115.58 118.98 3niu h ASN 341 Ca -0.46 -0.07 -0.02 0.00 1.87 0.00 0.00 56.30 57.62 3niu h ASN 341 Cb 1.19 -0.20 -0.00 0.00 0.27 0.00 0.00 38.32 39.58 3niu h ASN 341 CO 0.61 0.63 -0.11 1.62 -0.37 0.00 0.00 177.43 179.80 3niu h VAL 342 N 0.87 0.56 -0.30 2.57 3.04 -1.94 -2.35 116.25 118.71 3niu h VAL 342 Ca 0.23 -0.51 -0.11 0.00 -1.01 0.00 0.00 66.70 65.31 3niu h VAL 342 Cb 0.00 1.33 -0.01 0.00 -2.01 0.00 0.00 31.29 30.60 3niu h VAL 342 CO -0.04 0.11 -0.26 0.15 -1.01 0.00 0.00 177.57 176.52 3niu h PHE 343 N 0.00 0.66 0.00 3.17 3.57 -1.86 0.11 116.94 122.60 3niu h PHE 343 Ca -0.00 -0.15 0.00 0.00 3.53 0.00 0.00 57.97 61.35 3niu h PHE 343 Cb 0.32 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 38.90 3niu h PHE 343 CO 0.00 0.79 0.00 0.25 -2.23 0.00 0.00 178.31 177.12 3niu n THR 344 N -4.11 0.95 -0.07 4.41 -2.24 -0.88 -0.84 114.28 111.50 3niu n THR 344 Ca -0.00 0.41 -0.08 0.00 -2.27 0.00 0.00 64.05 62.11 3niu n THR 344 Cb 0.43 -1.36 -0.11 0.00 -2.10 0.00 0.00 70.33 67.19 3niu n THR 344 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3niu n PHE 345 N -2.18 0.00 -0.02 4.78 3.01 -0.99 -4.44 117.46 117.61 3niu n PHE 345 Ca 0.01 0.00 -0.06 0.00 1.01 0.00 0.00 57.45 58.41 3niu n PHE 345 Cb 0.15 -0.69 0.13 0.00 -0.01 0.00 0.00 39.48 39.05 3niu n PHE 345 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3niu h ALA 346 N 0.57 0.92 0.00 4.37 0.00 -0.34 -2.72 119.26 122.06 3niu h ALA 346 Ca -0.39 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.13 3niu h ALA 346 Cb 1.83 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.49 3niu h ALA 346 CO 0.01 0.62 0.00 0.34 0.00 0.00 0.00 179.25 180.21 3niu n PHE 347 N -4.08 0.29 1.19 0.00 -0.00 -0.02 -2.93 117.46 111.91 3niu n PHE 347 Ca -0.01 0.11 0.00 0.00 -0.00 0.00 0.00 57.45 57.55 3niu n PHE 347 Cb 0.46 -0.68 0.00 0.00 -0.00 0.00 0.00 39.48 39.27 3niu n PHE 347 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 3niu n ARG 348 N -1.76 0.90 0.28 -4.13 1.74 -1.02 -3.24 116.66 109.41 3niu n ARG 348 Ca 0.04 0.00 0.16 0.00 -0.77 0.00 0.00 57.85 57.27 3niu n ARG 348 Cb 0.22 -1.30 0.77 0.00 -1.02 0.00 0.00 32.46 31.14 3niu n ARG 348 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 3niu h PHE 349 N 0.07 0.00 0.00 -1.55 -5.15 -1.73 -2.97 116.94 105.60 3niu h PHE 349 Ca 0.00 0.00 -0.03 0.00 -0.20 0.00 0.00 57.97 57.74 3niu h PHE 349 Cb 0.30 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.47 3niu h PHE 349 CO 0.00 0.08 -0.13 0.78 -2.00 0.00 0.00 178.31 177.04 3niu h GLY 350 N 1.19 0.00 2.00 6.09 0.00 -1.87 -2.85 103.07 107.64 3niu h GLY 350 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 3niu h GLY 350 CO 0.01 0.00 -0.05 0.45 0.00 0.00 0.00 176.54 176.95 3niu h HIS 351 N 0.00 0.00 -0.06 5.60 3.86 -1.82 -0.86 115.15 121.86 3niu h HIS 351 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3niu h HIS 351 Cb 0.37 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.84 3niu h HIS 351 CO 0.00 0.05 0.00 -1.33 0.86 0.00 0.00 177.93 177.51 3niu n MET 352 N -3.80 1.74 0.00 2.45 2.81 -1.07 -3.61 117.12 115.64 3niu n MET 352 Ca -0.03 -1.09 0.11 0.00 -1.81 0.00 0.00 57.70 54.88 3niu n MET 352 Cb 0.14 -1.46 0.03 0.00 -0.71 0.00 0.00 33.22 31.23 3niu n MET 352 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 3niu n GLU 353 N 0.32 1.63 -2.87 0.03 1.02 -0.33 -4.12 120.64 116.32 3niu n GLU 353 Ca 0.18 -1.34 -0.42 0.00 -0.02 0.00 0.00 57.16 55.56 3niu n GLU 353 Cb 0.37 -1.46 -0.04 0.00 -0.02 0.00 0.00 31.44 30.29 3niu n GLU 353 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3niu s VAL 354 N -2.27 4.85 0.78 2.62 1.01 -1.22 -0.95 120.40 125.24 3niu s VAL 354 Ca 0.22 1.65 -0.10 0.00 0.00 0.00 0.00 61.98 63.74 3niu s VAL 354 Cb 0.19 -4.14 0.08 0.00 0.00 0.00 0.00 36.38 32.50 3niu s VAL 354 CO 0.46 -0.01 1.13 -2.16 0.00 0.00 0.00 175.10 174.52 3niu s PRO 355 N 2.40 1.95 0.19 2.72 0.04 -1.26 -4.52 135.00 136.52 3niu s PRO 355 Ca 0.38 -0.08 0.25 0.00 0.04 0.00 0.00 61.00 61.59 3niu s PRO 355 Cb -0.16 -2.03 0.59 0.00 0.04 0.00 0.00 34.50 32.94 3niu s PRO 355 CO 0.11 -1.52 1.58 0.66 0.04 0.00 0.00 177.00 177.87 3niu h SER 356 N -0.92 0.00 -4.05 6.66 4.64 -1.97 -3.46 113.55 114.45 3niu h SER 356 Ca -0.45 -0.08 -0.39 0.00 -0.47 0.00 0.00 61.79 60.40 3niu h SER 356 Cb 1.32 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 63.23 3niu h SER 356 CO 0.62 0.04 -0.75 0.42 -0.87 0.00 0.00 176.83 176.28 3niu s THR 357 N -3.14 1.28 -0.08 2.95 -4.23 -1.26 -1.64 115.64 109.53 3niu s THR 357 Ca 0.09 -1.76 0.04 0.00 -1.18 0.00 0.00 61.69 58.87 3niu s THR 357 Cb 0.12 -1.56 0.00 0.00 1.34 0.00 0.00 72.50 72.40 3niu s THR 357 CO 0.65 -0.48 -0.19 -0.69 -0.54 0.00 0.00 174.62 173.37 3niu s VAL 358 N -2.34 1.65 0.10 2.29 1.01 0.04 -4.86 120.40 118.29 3niu s VAL 358 Ca 0.10 -0.80 0.06 0.00 0.00 0.00 0.00 61.98 61.34 3niu s VAL 358 Cb -0.04 -1.44 -0.04 0.00 0.00 0.00 0.00 36.38 34.86 3niu s VAL 358 CO 0.03 0.47 -0.04 -0.44 0.00 0.00 0.00 175.10 175.11 3niu s SER 359 N 0.35 4.78 -0.12 3.32 0.01 -1.26 -0.76 113.70 120.02 3niu s SER 359 Ca -0.14 -0.26 0.03 0.00 1.31 0.00 0.00 55.95 56.89 3niu s SER 359 Cb -0.16 -1.05 0.01 0.00 0.21 0.00 0.00 66.02 65.03 3niu s SER 359 CO 0.06 0.17 -0.21 -0.13 0.41 0.00 0.00 173.24 173.54 3niu s ARG 360 N -2.28 2.86 -0.03 12.44 0.52 -0.63 -4.36 118.95 127.46 3niu s ARG 360 Ca 0.24 -0.80 0.05 0.00 -0.52 0.00 0.00 55.73 54.70 3niu s ARG 360 Cb -0.11 -2.27 -0.01 0.00 0.52 0.00 0.00 34.95 33.07 3niu s ARG 360 CO 0.17 0.04 -0.20 -0.51 0.02 0.00 0.00 175.30 174.82 3niu s LEU 361 N 0.69 1.99 0.00 2.53 1.43 -0.95 -0.95 118.68 123.43 3niu s LEU 361 Ca -0.11 -0.38 -0.04 0.00 -1.03 0.00 0.00 54.13 52.58 3niu s LEU 361 Cb -0.16 -1.06 0.05 0.00 0.03 0.00 0.00 46.19 45.05 3niu s LEU 361 CO 0.02 0.21 0.20 -0.90 0.23 0.00 0.00 176.35 176.11 3niu n ASP 362 N 2.86 -1.01 0.14 2.29 5.68 0.11 -4.41 116.55 122.20 3niu n ASP 362 Ca -0.17 -0.69 0.12 0.00 -0.50 0.00 0.00 54.79 53.56 3niu n ASP 362 Cb 0.53 -0.18 0.52 0.00 -1.14 0.00 0.00 41.12 40.85 3niu n ASP 362 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3niu h GLU 363 N 0.00 0.00 -0.66 0.11 5.08 -1.99 0.97 114.58 118.10 3niu h GLU 363 Ca -0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3niu h GLU 363 Cb 0.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 3niu h GLU 363 CO 0.05 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.15 3niu n ASN 364 N -2.30 4.73 -2.82 1.42 5.03 -1.26 -4.94 115.26 115.12 3niu n ASN 364 Ca 0.02 -2.41 -0.21 0.00 0.87 0.00 0.00 54.58 52.85 3niu n ASN 364 Cb 0.21 -0.58 0.01 0.00 -1.02 0.00 0.00 39.78 38.41 3niu n ASN 364 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 3niu n TYR 365 N 1.19 -1.61 -4.05 3.10 4.01 0.34 -5.01 117.16 115.12 3niu n TYR 365 Ca 0.26 0.30 -0.26 0.00 -0.16 0.00 0.00 57.90 58.05 3niu n TYR 365 Cb 0.87 -3.94 -0.05 0.00 -0.31 0.00 0.00 39.34 35.92 3niu n TYR 365 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 3niu s GLN 366 N -5.48 3.05 0.03 -0.72 -1.52 -1.26 -4.82 119.66 108.94 3niu s GLN 366 Ca 0.19 -0.82 -0.39 0.00 -1.95 0.00 0.00 55.36 52.40 3niu s GLN 366 Cb -0.09 -2.72 -0.19 0.00 -0.22 0.00 0.00 33.01 29.79 3niu s GLN 366 CO 0.24 0.48 1.20 -2.30 -0.25 0.00 0.00 175.29 174.66 3niu n PRO 367 N -0.51 0.51 -3.27 2.91 -0.02 -1.26 0.08 135.00 133.44 3niu n PRO 367 Ca -0.08 0.18 -0.46 0.00 -2.02 0.00 0.00 63.50 61.13 3niu n PRO 367 Cb 0.55 -1.75 -0.05 0.00 -0.02 0.00 0.00 33.50 32.23 3niu n PRO 367 CO 0.00 0.00 0.00 -0.46 1.98 0.00 0.00 175.50 177.02 3niu s TRP 368 N 0.26 3.19 0.00 6.00 -0.00 -0.12 -4.53 118.94 123.73 3niu s TRP 368 Ca 0.88 -1.17 0.00 0.00 -0.00 0.00 0.00 56.10 55.81 3niu s TRP 368 Cb -1.13 -3.79 0.00 0.00 -0.00 0.00 0.00 33.47 28.55 3niu s TRP 368 CO 0.53 -1.06 0.00 0.41 -0.00 0.00 0.00 176.95 176.83 3niu n GLY 369 N 5.25 -1.15 0.24 5.86 0.00 -1.26 -3.76 105.19 110.38 3niu n GLY 369 Ca -0.13 -1.61 0.08 0.00 0.00 0.00 0.00 46.02 44.36 3niu n GLY 369 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3niu h PRO 370 N 0.00 0.00 -1.50 1.61 0.13 -2.01 -3.16 132.00 127.07 3niu h PRO 370 Ca 0.00 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.54 3niu h PRO 370 Cb 0.00 0.00 -0.42 0.00 0.13 0.00 0.00 31.00 30.71 3niu h PRO 370 CO 0.00 0.15 -0.72 0.39 -0.23 0.00 0.00 178.00 177.59 3niu n GLU 371 N -4.11 3.43 -0.10 0.86 1.02 -1.26 -4.89 120.64 115.60 3niu n GLU 371 Ca -0.02 -4.49 -0.09 0.00 -0.02 0.00 0.00 57.16 52.53 3niu n GLU 371 Cb 0.23 -2.25 -0.02 0.00 -0.02 0.00 0.00 31.44 29.38 3niu n GLU 371 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3niu h ALA 372 N 2.57 0.42 -2.87 0.62 0.00 -1.64 -3.41 119.26 114.95 3niu h ALA 372 Ca 0.30 -0.07 -0.65 0.00 0.00 0.00 0.00 54.91 54.49 3niu h ALA 372 Cb 0.93 -0.13 -0.18 0.00 0.00 0.00 0.00 17.79 18.42 3niu h ALA 372 CO 0.85 -0.06 -0.52 -2.00 0.00 0.00 0.00 179.25 177.52 3niu s GLU 373 N -5.87 3.83 0.04 0.00 2.12 -1.26 -1.60 118.70 115.96 3niu s GLU 373 Ca -0.13 -0.40 0.06 0.00 0.36 0.00 0.00 54.97 54.86 3niu s GLU 373 Cb 0.09 -3.66 -0.03 0.00 0.26 0.00 0.00 34.13 30.79 3niu s GLU 373 CO 0.72 -0.24 -0.14 -0.51 -0.54 0.00 0.00 175.26 174.55 3niu s LEU 374 N 1.74 2.81 0.34 2.70 1.43 0.06 -4.96 118.68 122.80 3niu s LEU 374 Ca 0.07 -0.36 -0.28 0.00 -1.03 0.00 0.00 54.13 52.53 3niu s LEU 374 Cb -0.16 -1.63 -0.10 0.00 0.03 0.00 0.00 46.19 44.33 3niu s LEU 374 CO 0.10 0.25 1.25 -2.84 0.23 0.00 0.00 176.35 175.34 3niu s PRO 375 N -1.58 4.31 0.41 1.29 0.02 -1.26 -0.78 135.00 137.41 3niu s PRO 375 Ca 0.16 2.09 0.08 0.00 0.02 0.00 0.00 61.00 63.34 3niu s PRO 375 Cb -0.11 -2.99 0.86 0.00 0.02 0.00 0.00 34.50 32.28 3niu s PRO 375 CO 0.07 -0.18 2.04 1.25 -0.33 0.00 0.00 177.00 179.86 3niu h LEU 376 N 3.26 0.48 -1.95 -5.54 5.85 -1.64 -2.84 115.31 112.92 3niu h LEU 376 Ca -0.49 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.22 3niu h LEU 376 Cb 1.23 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 42.14 3niu h LEU 376 CO 0.65 0.34 -0.05 1.12 -0.34 0.00 0.00 178.44 180.16 3niu h HIS 377 N 0.56 0.00 0.00 1.25 2.07 -1.84 -0.01 115.15 117.19 3niu h HIS 377 Ca 0.18 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.70 3niu h HIS 377 Cb 0.02 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.00 3niu h HIS 377 CO -0.00 0.05 -0.11 0.25 -3.07 0.00 0.00 177.93 175.05 3niu n THR 378 N -3.24 0.24 0.22 6.12 -2.24 -1.07 -3.90 114.28 110.41 3niu n THR 378 Ca -0.01 -0.12 0.12 0.00 -2.27 0.00 0.00 64.05 61.76 3niu n THR 378 Cb 0.24 -0.42 0.22 0.00 -2.10 0.00 0.00 70.33 68.27 3niu n THR 378 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3niu n LEU 379 N -1.82 3.51 -4.69 3.22 4.77 -0.02 -4.79 117.00 117.19 3niu n LEU 379 Ca 0.06 -1.56 -0.42 0.00 -0.03 0.00 0.00 56.01 54.06 3niu n LEU 379 Cb 0.38 -0.27 -0.03 0.00 -2.33 0.00 0.00 43.42 41.17 3niu n LEU 379 CO 0.30 0.77 0.98 -0.36 -1.33 0.00 0.00 177.39 177.75 3niu s PHE 380 N -1.42 3.13 -1.34 -1.77 0.08 -1.22 -2.53 117.98 112.92 3niu s PHE 380 Ca 0.39 1.15 -0.00 0.00 0.12 0.00 0.00 56.93 58.59 3niu s PHE 380 Cb 0.23 -3.46 -0.00 0.00 -0.57 0.00 0.00 43.02 39.22 3niu s PHE 380 CO 0.31 -1.49 0.60 1.19 -0.10 0.00 0.00 175.22 175.74 3niu n PHE 381 N 5.25 -1.82 -3.92 0.36 3.01 -0.90 -4.95 117.46 114.49 3niu n PHE 381 Ca 0.11 0.81 -0.33 0.00 1.01 0.00 0.00 57.45 59.05 3niu n PHE 381 Cb 0.46 -4.17 -0.13 0.00 -0.01 0.00 0.00 39.48 35.62 3niu n PHE 381 CO 0.00 0.00 0.00 1.21 1.01 0.00 0.00 176.76 178.98 3niu s ASN 382 N -4.36 4.85 -0.01 4.37 3.84 -1.20 -4.01 114.94 118.41 3niu s ASN 382 Ca 0.00 -2.35 0.18 0.00 0.21 0.00 0.00 52.86 50.91 3niu s ASN 382 Cb -0.00 -1.70 -0.24 0.00 -0.55 0.00 0.00 41.25 38.76 3niu s ASN 382 CO 0.84 -0.39 0.60 0.35 -2.79 0.00 0.00 177.10 175.71 3niu n THR 383 N 4.05 0.00 0.19 -5.21 -2.24 -1.26 -4.41 114.28 105.40 3niu n THR 383 Ca 0.03 -0.23 0.05 0.00 -2.27 0.00 0.00 64.05 61.62 3niu n THR 383 Cb 0.40 0.58 0.37 0.00 -2.10 0.00 0.00 70.33 69.57 3niu n THR 383 CO 0.00 0.00 0.00 4.11 -0.57 0.00 0.00 175.07 178.61 3niu h TRP 384 N 0.00 0.00 0.00 4.78 5.08 -1.89 -1.90 115.95 122.02 3niu h TRP 384 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 3niu h TRP 384 Cb 0.62 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.78 3niu h TRP 384 CO 0.00 0.38 0.00 0.54 -1.28 0.00 0.00 178.44 178.08 3niu n ARG 385 N -3.71 0.15 -0.10 0.12 5.12 -1.26 -1.34 116.66 115.64 3niu n ARG 385 Ca -0.01 0.26 -0.16 0.00 -1.93 0.00 0.00 57.85 56.00 3niu n ARG 385 Cb 0.47 -1.72 -0.08 0.00 -1.16 0.00 0.00 32.46 29.97 3niu n ARG 385 CO 0.00 0.00 0.00 -0.89 -1.93 0.00 0.00 177.63 174.81 3niu n ILE 386 N -1.98 1.49 -0.19 0.55 5.41 -0.91 -3.91 119.36 119.82 3niu n ILE 386 Ca 0.04 0.03 -0.09 0.00 1.00 0.00 0.00 62.75 63.73 3niu n ILE 386 Cb 0.30 -2.16 0.02 0.00 -0.71 0.00 0.00 39.64 37.08 3niu n ILE 386 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 3niu h ILE 387 N -1.00 1.26 -0.31 1.39 1.08 -1.41 -2.69 117.51 115.84 3niu h ILE 387 Ca -0.25 -1.10 0.00 0.00 -0.39 0.00 0.00 64.86 63.12 3niu h ILE 387 Cb 1.05 0.87 0.00 0.00 -3.07 0.00 0.00 36.82 35.67 3niu h ILE 387 CO -0.15 0.39 0.00 0.29 -0.69 0.00 0.00 178.15 177.99 3niu n LYS 388 N -4.27 2.94 -2.68 2.37 5.02 -0.45 -4.73 118.16 116.36 3niu n LYS 388 Ca 0.02 -2.48 -0.08 0.00 -2.02 0.00 0.00 58.31 53.76 3niu n LYS 388 Cb 0.32 -1.58 0.08 0.00 -0.02 0.00 0.00 35.03 33.83 3niu n LYS 388 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3niu n ASP 389 N 0.00 -0.36 0.00 4.39 -0.08 -1.24 -4.97 116.55 114.29 3niu n ASP 389 Ca 0.17 -2.55 0.00 0.00 -1.51 0.00 0.00 54.79 50.89 3niu n ASP 389 Cb 0.68 0.30 0.00 0.00 2.34 0.00 0.00 41.12 44.44 3niu n ASP 389 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3niu n GLY 390 N -0.39 0.52 6.37 0.27 0.00 -1.26 -4.81 105.19 105.89 3niu n GLY 390 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3niu n GLY 390 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3niu n GLY 391 N -1.34 -1.57 0.03 -0.02 0.00 -1.01 -4.46 105.19 96.82 3niu n GLY 391 Ca 0.00 -1.38 0.11 0.00 0.00 0.00 0.00 46.02 44.75 3niu n GLY 391 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3niu n ILE 392 N 0.00 0.14 -0.01 -0.61 -6.64 -1.26 -4.40 119.36 106.58 3niu n ILE 392 Ca 0.00 -0.27 -0.09 0.00 -1.77 0.00 0.00 62.75 60.62 3niu n ILE 392 Cb 0.00 0.24 -0.04 0.00 -1.44 0.00 0.00 39.64 38.41 3niu n ILE 392 CO 0.00 0.00 0.00 0.44 -1.77 0.00 0.00 176.55 175.22 3niu h ASP 393 N 0.00 -0.23 -0.42 7.28 5.19 -1.99 0.14 116.42 126.39 3niu h ASP 393 Ca 0.00 0.05 0.04 0.00 -0.62 0.00 0.00 57.03 56.50 3niu h ASP 393 Cb 0.76 0.13 -0.02 0.00 0.18 0.00 0.00 39.33 40.37 3niu h ASP 393 CO 0.00 -0.09 0.28 -0.65 -3.12 0.00 0.00 179.24 175.66 3niu h PRO 394 N -0.06 0.40 0.08 3.56 0.11 -1.77 -2.06 132.00 132.26 3niu h PRO 394 Ca 0.07 -0.02 -0.26 0.00 0.11 0.00 0.00 66.00 65.90 3niu h PRO 394 Cb 0.17 -0.09 0.01 0.00 0.11 0.00 0.00 31.00 31.20 3niu h PRO 394 CO -0.17 0.27 -1.13 -0.07 -0.21 0.00 0.00 178.00 176.69 3niu h LEU 395 N 0.42 0.53 -0.59 2.35 3.38 -1.64 -2.48 115.31 117.28 3niu h LEU 395 Ca 0.18 -0.50 -0.13 0.00 0.09 0.00 0.00 57.88 57.52 3niu h LEU 395 Cb 0.18 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3niu h LEU 395 CO -0.04 1.34 -0.32 0.58 0.09 0.00 0.00 178.44 180.09 3niu h VAL 396 N 0.16 1.28 -0.92 1.22 2.07 -0.58 -2.20 116.25 117.28 3niu h VAL 396 Ca -0.12 -1.47 -0.01 0.00 0.82 0.00 0.00 66.70 65.92 3niu h VAL 396 Cb 1.81 1.34 -0.04 0.00 -1.52 0.00 0.00 31.29 32.88 3niu h VAL 396 CO 0.19 0.48 0.53 0.03 0.02 0.00 0.00 177.57 178.82 3niu h ARG 397 N 0.66 1.28 -0.81 1.57 3.08 -1.45 -2.25 114.38 116.46 3niu h ARG 397 Ca 0.07 -0.14 -0.02 0.00 0.07 0.00 0.00 59.98 59.97 3niu h ARG 397 Cb 0.85 -0.26 -0.04 0.00 0.08 0.00 0.00 29.97 30.61 3niu h ARG 397 CO 0.07 0.92 0.42 0.78 -1.07 0.00 0.00 179.97 181.09 3niu h GLY 398 N 1.29 1.22 1.15 0.04 0.00 -1.41 -0.98 103.07 104.37 3niu h GLY 398 Ca 0.33 -0.57 0.04 0.00 0.00 0.00 0.00 47.33 47.12 3niu h GLY 398 CO -0.06 0.55 0.49 1.41 0.00 0.00 0.00 176.54 178.93 3niu h LEU 399 N 1.13 0.78 0.20 3.11 3.38 -0.84 0.13 115.31 123.18 3niu h LEU 399 Ca 0.28 -0.01 -0.27 0.00 0.09 0.00 0.00 57.88 57.98 3niu h LEU 399 Cb 0.06 -0.18 0.03 0.00 0.09 0.00 0.00 40.66 40.66 3niu h LEU 399 CO -0.04 0.53 -1.18 -0.07 0.09 0.00 0.00 178.44 177.77 3niu h LEU 400 N 0.90 0.65 -0.33 1.67 3.38 -1.16 -2.80 115.31 117.60 3niu h LEU 400 Ca 0.30 -0.93 0.00 0.00 0.09 0.00 0.00 57.88 57.33 3niu h LEU 400 Cb 0.06 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.60 3niu h LEU 400 CO -0.09 1.56 -0.55 0.00 0.09 0.00 0.00 178.44 179.46 3niu n ALA 401 N -2.71 3.73 -2.84 1.53 0.00 -0.40 -4.48 120.51 115.34 3niu n ALA 401 Ca -0.16 -0.48 -0.22 0.00 0.00 0.00 0.00 53.44 52.57 3niu n ALA 401 Cb 0.96 -0.97 -0.04 0.00 0.00 0.00 0.00 19.45 19.40 3niu n ALA 401 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3niu s LYS 402 N -2.76 2.98 0.16 0.00 -0.14 0.02 -4.91 119.74 115.09 3niu s LYS 402 Ca 0.15 -0.99 -0.08 0.00 -1.36 0.00 0.00 55.97 53.68 3niu s LYS 402 Cb 0.18 -2.61 -0.06 0.00 -1.68 0.00 0.00 37.83 33.65 3niu s LYS 402 CO 0.67 0.42 0.46 -0.80 -0.76 0.00 0.00 175.35 175.33 3niu s ASN 403 N -3.74 6.60 0.88 2.83 0.01 -1.26 -0.79 114.94 119.46 3niu s ASN 403 Ca 0.33 0.80 -0.12 0.00 -0.71 0.00 0.00 52.86 53.16 3niu s ASN 403 Cb -0.08 -2.18 0.12 0.00 0.41 0.00 0.00 41.25 39.52 3niu s ASN 403 CO 0.25 0.04 1.10 -0.44 -1.51 0.00 0.00 177.10 176.54 3niu s SER 404 N -2.19 3.71 0.13 -1.22 0.01 -0.94 -4.32 113.70 108.87 3niu s SER 404 Ca 0.41 1.34 -0.29 0.00 1.31 0.00 0.00 55.95 58.73 3niu s SER 404 Cb -0.12 -2.03 -0.07 0.00 0.21 0.00 0.00 66.02 64.01 3niu s SER 404 CO 0.21 -2.47 0.91 -0.75 0.41 0.00 0.00 173.24 171.56 3niu s LYS 405 N -5.04 4.69 0.20 12.44 2.20 -0.12 0.20 119.74 134.30 3niu s LYS 405 Ca 0.63 1.38 -0.18 0.00 -0.36 0.00 0.00 55.97 57.43 3niu s LYS 405 Cb -0.17 -3.35 -0.08 0.00 -1.51 0.00 0.00 37.83 32.73 3niu s LYS 405 CO 0.56 0.31 0.67 -1.17 -0.36 0.00 0.00 175.35 175.36 3niu s LEU 406 N -0.32 4.35 0.00 5.43 2.96 0.22 -4.24 118.68 127.08 3niu s LEU 406 Ca 0.44 1.33 -0.30 0.00 -0.22 0.00 0.00 54.13 55.37 3niu s LEU 406 Cb -0.23 -3.48 -0.07 0.00 0.50 0.00 0.00 46.19 42.91 3niu s LEU 406 CO 0.29 0.06 1.65 -0.32 -1.32 0.00 0.00 176.35 176.71 3niu s MET 407 N -1.93 4.19 -0.06 1.98 -2.45 -1.26 -4.86 119.30 114.92 3niu s MET 407 Ca 0.41 2.25 0.03 0.00 -1.25 0.00 0.00 55.69 57.13 3niu s MET 407 Cb -0.16 -3.83 0.01 0.00 1.25 0.00 0.00 34.83 32.10 3niu s MET 407 CO 0.20 -0.79 -0.15 1.21 1.05 0.00 0.00 175.02 176.55 3niu s ASN 408 N 2.96 1.97 0.53 1.11 3.84 -1.23 -5.02 114.94 119.09 3niu s ASN 408 Ca 0.74 -0.33 0.29 0.00 0.21 0.00 0.00 52.86 53.77 3niu s ASN 408 Cb -0.36 -0.76 1.45 0.00 -0.55 0.00 0.00 41.25 41.03 3niu s ASN 408 CO 0.31 0.09 2.05 1.56 -2.79 0.00 0.00 177.10 178.32 3niu h GLN 409 N 6.66 0.00 0.00 0.43 4.20 -1.93 -2.01 115.11 122.46 3niu h GLN 409 Ca -0.30 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.41 3niu h GLN 409 Cb 1.19 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.97 3niu h GLN 409 CO 0.48 0.11 -1.11 0.09 -0.67 0.00 0.00 178.83 177.73 3niu n ASN 410 N -3.49 0.66 -3.41 1.46 3.02 -1.26 -4.67 115.26 107.57 3niu n ASN 410 Ca -0.01 -0.49 -0.27 0.00 -0.03 0.00 0.00 54.58 53.77 3niu n ASN 410 Cb 0.26 1.00 -0.10 0.00 -0.61 0.00 0.00 39.78 40.33 3niu n ASN 410 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3niu n LYS 411 N -1.78 0.32 -0.01 3.52 5.02 -0.77 -4.72 118.16 119.74 3niu n LYS 411 Ca 0.02 -3.26 -0.00 0.00 -2.02 0.00 0.00 58.31 53.05 3niu n LYS 411 Cb 0.40 -1.69 -0.00 0.00 -0.02 0.00 0.00 35.03 33.72 3niu n LYS 411 CO 0.00 0.00 0.00 0.52 -0.52 0.00 0.00 177.40 177.40 3niu h MET 412 N 5.54 0.00 -5.43 1.97 2.86 -1.39 -3.26 114.93 115.22 3niu h MET 412 Ca 0.25 0.00 -0.68 0.00 -2.06 0.00 0.00 59.70 57.21 3niu h MET 412 Cb 0.90 0.00 -0.32 0.00 0.06 0.00 0.00 31.60 32.24 3niu h MET 412 CO 0.40 0.00 -0.87 0.08 1.06 0.00 0.00 176.91 177.58 3niu s VAL 413 N -1.07 2.15 0.53 -2.22 1.01 -0.87 -4.46 120.40 115.48 3niu s VAL 413 Ca -0.00 -0.99 -0.22 0.00 0.00 0.00 0.00 61.98 60.77 3niu s VAL 413 Cb 0.00 -1.82 -0.06 0.00 0.00 0.00 0.00 36.38 34.50 3niu s VAL 413 CO 0.00 0.56 1.20 1.07 0.00 0.00 0.00 175.10 177.93 3niu n THR 414 N 3.44 3.44 0.32 3.92 5.66 -1.26 -4.47 114.28 125.33 3niu n THR 414 Ca -0.19 -0.50 0.20 0.00 -3.05 0.00 0.00 64.05 60.51 3niu n THR 414 Cb 0.53 -1.45 1.09 0.00 -1.55 0.00 0.00 70.33 68.95 3niu n THR 414 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 3niu h SER 415 N 1.29 0.00 -0.38 1.09 0.02 -1.95 -0.01 113.55 113.61 3niu h SER 415 Ca -0.49 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.46 3niu h SER 415 Cb 1.32 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.84 3niu h SER 415 CO 0.56 0.01 0.24 -0.33 -1.14 0.00 0.00 176.83 176.16 3niu h GLU 416 N 0.00 0.53 0.00 3.45 4.39 -1.93 -0.25 114.58 120.77 3niu h GLU 416 Ca -0.00 -0.04 -0.14 0.00 0.34 0.00 0.00 59.36 59.52 3niu h GLU 416 Cb 0.03 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 28.54 3niu h GLU 416 CO 0.00 0.38 -2.10 1.28 -1.16 0.00 0.00 179.01 177.40 3niu n LEU 417 N -4.45 0.00 0.06 1.33 4.77 -0.44 -3.13 117.00 115.14 3niu n LEU 417 Ca 0.03 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.12 3niu n LEU 417 Cb 0.08 0.19 0.03 0.00 -2.33 0.00 0.00 43.42 41.40 3niu n LEU 417 CO 0.36 0.19 0.03 -1.14 -1.33 0.00 0.00 177.39 175.50 3niu n ARG 418 N -2.42 0.45 0.00 3.23 0.63 -0.15 -1.27 116.66 117.13 3niu n ARG 418 Ca -0.15 0.05 0.00 0.00 -0.92 0.00 0.00 57.85 56.83 3niu n ARG 418 Cb 0.78 -1.70 0.00 0.00 0.45 0.00 0.00 32.46 31.99 3niu n ARG 418 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 3niu n ASN 419 N -2.31 2.00 -0.42 6.15 3.02 -0.13 -4.30 115.26 119.26 3niu n ASN 419 Ca 0.01 0.00 0.07 0.00 -0.03 0.00 0.00 54.58 54.63 3niu n ASN 419 Cb 0.49 0.22 0.18 0.00 -0.61 0.00 0.00 39.78 40.06 3niu n ASN 419 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3niu n LYS 420 N -1.05 1.62 -2.01 3.52 5.02 -1.02 -3.72 118.16 120.51 3niu n LYS 420 Ca 0.00 -2.87 -0.40 0.00 -2.02 0.00 0.00 58.31 53.01 3niu n LYS 420 Cb 0.18 -1.61 -0.01 0.00 -0.02 0.00 0.00 35.03 33.58 3niu n LYS 420 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3niu s LEU 421 N -3.01 4.30 -0.16 -0.35 2.96 -1.04 -4.34 118.68 117.04 3niu s LEU 421 Ca 0.36 2.76 -0.06 0.00 -0.22 0.00 0.00 54.13 56.97 3niu s LEU 421 Cb 0.32 -3.77 -0.04 0.00 0.50 0.00 0.00 46.19 43.20 3niu s LEU 421 CO 0.01 -0.77 0.04 0.12 -1.32 0.00 0.00 176.35 174.43 3niu s PHE 422 N -1.19 3.22 -0.14 5.38 5.36 -1.26 -1.49 117.98 127.85 3niu s PHE 422 Ca 0.54 0.05 -0.01 0.00 -0.96 0.00 0.00 56.93 56.54 3niu s PHE 422 Cb -0.41 -2.00 -0.02 0.00 -0.34 0.00 0.00 43.02 40.25 3niu s PHE 422 CO 0.53 0.21 -0.09 -0.65 -1.46 0.00 0.00 175.22 173.76 3niu s GLN 423 N 0.08 3.47 0.30 10.12 -1.52 -1.26 -5.00 119.66 125.85 3niu s GLN 423 Ca 0.04 -0.61 0.05 0.00 -1.95 0.00 0.00 55.36 52.89 3niu s GLN 423 Cb -0.12 -2.74 0.76 0.00 -0.22 0.00 0.00 33.01 30.68 3niu s GLN 423 CO 0.01 0.25 1.72 -1.00 -0.25 0.00 0.00 175.29 176.02 3niu h PRO 424 N 6.62 0.48 -0.06 2.91 0.13 -1.98 -1.80 132.00 138.31 3niu h PRO 424 Ca -0.29 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 64.80 3niu h PRO 424 Cb 1.20 -0.11 -0.00 0.00 0.13 0.00 0.00 31.00 32.22 3niu h PRO 424 CO 0.58 0.32 -0.00 1.15 -0.23 0.00 0.00 178.00 179.82 3niu h THR 425 N 0.50 1.26 -3.12 1.56 2.02 -2.01 -3.43 112.91 109.68 3niu h THR 425 Ca 0.58 -0.82 -0.46 0.00 0.77 0.00 0.00 66.41 66.48 3niu h THR 425 Cb 1.06 1.71 0.11 0.00 -1.74 0.00 0.00 68.15 69.29 3niu h THR 425 CO -0.49 0.22 0.25 -1.00 0.37 0.00 0.00 175.52 174.88 3niu s HIS 426 N -4.88 1.77 -0.08 3.16 3.76 -0.68 -5.05 115.29 113.29 3niu s HIS 426 Ca -0.15 0.06 0.12 0.00 -0.15 0.00 0.00 55.06 54.94 3niu s HIS 426 Cb 0.04 -3.48 -0.18 0.00 1.11 0.00 0.00 32.58 30.07 3niu s HIS 426 CO 0.69 -2.05 0.29 1.63 -0.85 0.00 0.00 174.74 174.45 3niu n LYS 427 N -3.22 0.68 -3.92 1.40 5.02 -1.26 -4.70 118.16 112.16 3niu n LYS 427 Ca 0.14 -0.10 -0.32 0.00 -2.02 0.00 0.00 58.31 56.02 3niu n LYS 427 Cb 0.60 -1.26 -0.04 0.00 -0.02 0.00 0.00 35.03 34.31 3niu n LYS 427 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3niu s VAL 428 N -2.76 5.38 -1.35 -0.18 -7.23 -1.26 -5.01 120.40 107.99 3niu s VAL 428 Ca -0.03 -0.34 -0.10 0.00 -1.81 0.00 0.00 61.98 59.69 3niu s VAL 428 Cb 0.08 -3.60 0.11 0.00 0.56 0.00 0.00 36.38 33.54 3niu s VAL 428 CO 0.50 0.19 2.07 1.41 -0.31 0.00 0.00 175.10 178.96 3niu n HIS 429 N 0.46 3.05 -0.97 2.82 8.25 -1.26 -4.34 115.22 123.23 3niu n HIS 429 Ca -0.07 -2.86 0.00 0.00 -0.26 0.00 0.00 57.72 54.54 3niu n HIS 429 Cb 0.51 -2.14 0.00 0.00 1.12 0.00 0.00 29.99 29.49 3niu n HIS 429 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3niu n GLY 430 N 3.12 -2.11 3.94 -1.41 0.00 -0.69 -4.20 105.19 103.84 3niu n GLY 430 Ca 0.47 -0.01 -0.25 0.00 0.00 0.00 0.00 46.02 46.23 3niu n GLY 430 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3niu s PHE 431 N -0.12 3.02 -0.26 1.61 0.40 -0.56 -4.75 117.98 117.32 3niu s PHE 431 Ca 0.00 0.40 0.01 0.00 -0.60 0.00 0.00 56.93 56.75 3niu s PHE 431 Cb 0.00 -2.93 0.07 0.00 0.51 0.00 0.00 43.02 40.68 3niu s PHE 431 CO 0.00 -1.08 -0.01 0.34 0.70 0.00 0.00 175.22 175.17 3niu s ASP 432 N -4.42 3.98 0.29 1.36 -1.08 -1.26 -2.49 116.67 113.05 3niu s ASP 432 Ca 0.57 -1.38 -0.02 0.00 -0.52 0.00 0.00 52.55 51.20 3niu s ASP 432 Cb -0.11 -1.17 0.41 0.00 -1.46 0.00 0.00 42.92 40.59 3niu s ASP 432 CO 0.43 -0.29 1.89 0.25 0.52 0.00 0.00 175.17 177.98 3niu h LEU 433 N 7.94 0.88 -0.25 -1.34 5.85 -1.44 -0.08 115.31 126.86 3niu h LEU 433 Ca -0.15 -0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.45 3niu h LEU 433 Cb 1.06 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.85 3niu h LEU 433 CO 0.43 0.74 0.05 0.00 -0.34 0.00 0.00 178.44 179.32 3niu h ALA 434 N 1.40 0.34 -0.51 1.25 0.00 -1.90 -0.08 119.26 119.75 3niu h ALA 434 Ca 0.24 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 3niu h ALA 434 Cb 0.09 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3niu h ALA 434 CO -0.03 0.01 0.15 0.00 0.00 0.00 0.00 179.25 179.38 3niu h ALA 435 N 0.86 0.67 -0.51 0.00 0.00 -1.76 -2.35 119.26 116.18 3niu h ALA 435 Ca 0.08 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.82 3niu h ALA 435 Cb 0.32 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3niu h ALA 435 CO 0.00 0.34 0.31 0.82 0.00 0.00 0.00 179.25 180.72 3niu h ILE 436 N 0.70 1.07 -0.42 0.00 2.04 -0.92 0.01 117.51 120.00 3niu h ILE 436 Ca 0.16 -0.21 0.07 0.00 1.00 0.00 0.00 64.86 65.88 3niu h ILE 436 Cb 0.29 0.39 -0.06 0.00 -0.74 0.00 0.00 36.82 36.70 3niu h ILE 436 CO -0.00 0.11 0.04 0.78 0.00 0.00 0.00 178.15 179.08 3niu h ASN 437 N 0.62 -0.08 0.14 1.72 -0.26 -0.86 0.88 115.58 117.75 3niu h ASN 437 Ca 0.20 0.08 -0.17 0.00 -0.56 0.00 0.00 56.30 55.86 3niu h ASN 437 Cb 0.00 0.14 -0.01 0.00 -1.06 0.00 0.00 38.32 37.39 3niu h ASN 437 CO -0.08 -0.01 -0.63 -0.07 -1.06 0.00 0.00 177.43 175.58 3niu h LEU 438 N 0.16 0.54 -0.65 1.61 3.38 -1.09 -1.59 115.31 117.66 3niu h LEU 438 Ca 0.21 -0.32 -0.09 0.00 0.09 0.00 0.00 57.88 57.77 3niu h LEU 438 Cb 0.28 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 3niu h LEU 438 CO -0.31 1.04 0.03 -0.61 0.09 0.00 0.00 178.44 178.68 3niu h GLN 439 N 0.35 1.08 -0.13 1.13 5.75 -0.79 -3.17 115.11 119.33 3niu h GLN 439 Ca -0.01 -0.33 -0.12 0.00 -0.15 0.00 0.00 58.65 58.04 3niu h GLN 439 Cb 1.19 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 29.62 3niu h GLN 439 CO 0.11 1.03 -0.44 -0.09 -2.65 0.00 0.00 178.83 176.80 3niu h ARG 440 N 0.99 0.31 -0.26 1.69 9.65 -0.55 -0.63 114.38 125.58 3niu h ARG 440 Ca 0.18 -0.16 0.06 0.00 -1.10 0.00 0.00 59.98 58.96 3niu h ARG 440 Cb 0.52 0.00 -0.06 0.00 -1.39 0.00 0.00 29.97 29.05 3niu h ARG 440 CO 0.03 0.70 -0.10 0.00 2.80 0.00 0.00 179.97 183.39 3niu h ARG 442 N -0.05 0.71 -0.63 0.00 3.08 -1.47 -1.22 114.38 114.79 3niu h ARG 442 Ca 0.13 -0.18 0.06 0.00 0.07 0.00 0.00 59.98 60.07 3niu h ARG 442 Cb 0.26 -0.09 -0.06 0.00 0.08 0.00 0.00 29.97 30.16 3niu h ARG 442 CO -0.30 0.73 0.33 0.22 -1.07 0.00 0.00 179.97 179.87 3niu h ASP 443 N 0.58 0.46 0.00 7.04 3.58 -0.81 -2.00 116.42 125.27 3niu h ASP 443 Ca 0.14 0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.63 3niu h ASP 443 Cb 0.34 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.35 3niu h ASP 443 CO 0.00 0.30 0.00 1.41 -2.88 0.00 0.00 179.24 178.07 3niu n HIS 444 N -4.84 0.00 -3.35 0.28 8.25 0.51 -4.86 115.22 111.21 3niu n HIS 444 Ca 0.08 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.35 3niu n HIS 444 Cb 0.19 0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.37 3niu n HIS 444 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3niu n GLY 445 N 0.75 -0.24 3.72 -1.41 0.00 -0.75 -4.88 105.19 102.38 3niu n GLY 445 Ca 0.15 0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 3niu n GLY 445 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3niu s MET 446 N -5.93 4.36 0.80 1.61 -1.94 -0.49 -0.68 119.30 117.02 3niu s MET 446 Ca 0.41 2.00 -0.13 0.00 -1.71 0.00 0.00 55.69 56.26 3niu s MET 446 Cb -0.18 -3.26 0.08 0.00 2.01 0.00 0.00 34.83 33.48 3niu s MET 446 CO 0.58 -0.36 1.18 -2.14 -0.01 0.00 0.00 175.02 174.28 3niu s PRO 447 N 0.85 1.74 1.21 2.03 0.02 -1.26 -4.65 135.00 134.95 3niu s PRO 447 Ca 0.62 1.66 -0.19 0.00 0.02 0.00 0.00 61.00 63.10 3niu s PRO 447 Cb -0.35 -1.80 0.29 0.00 0.02 0.00 0.00 34.50 32.66 3niu s PRO 447 CO 0.31 -2.12 1.09 0.20 -0.33 0.00 0.00 177.00 176.16 3niu s GLY 448 N -2.33 1.57 0.13 0.52 0.00 -1.26 -4.48 107.32 101.46 3niu s GLY 448 Ca 0.71 -0.90 -0.25 0.00 0.00 0.00 0.00 44.72 44.28 3niu s GLY 448 CO 0.51 -0.02 1.63 -1.82 0.00 0.00 0.00 173.10 173.39 3niu h TYR 449 N -2.62 -0.71 0.00 1.90 3.20 -1.19 -3.04 116.97 114.52 3niu h TYR 449 Ca -0.45 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.39 3niu h TYR 449 Cb 1.30 0.32 -0.01 0.00 1.54 0.00 0.00 36.73 39.88 3niu h TYR 449 CO -2.08 -0.35 -0.27 -0.91 -1.64 0.00 0.00 178.16 172.91 3niu h ASN 450 N -0.37 0.00 -0.57 -2.11 2.35 -1.82 -0.98 115.58 112.08 3niu h ASN 450 Ca 0.08 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.80 3niu h ASN 450 Cb 0.48 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.83 3niu h ASN 450 CO -0.27 0.27 0.24 0.28 -1.65 0.00 0.00 177.43 176.30 3niu h SER 451 N 0.00 0.78 0.45 5.81 0.02 -1.88 -1.04 113.55 117.69 3niu h SER 451 Ca -0.00 -0.16 -0.16 0.00 -0.84 0.00 0.00 61.79 60.63 3niu h SER 451 Cb 0.50 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.82 3niu h SER 451 CO 0.04 0.72 -0.68 -0.50 -1.14 0.00 0.00 176.83 175.27 3niu h TRP 452 N 0.78 0.27 -0.41 3.45 4.06 -1.31 -0.31 115.95 122.48 3niu h TRP 452 Ca 0.19 -0.12 0.00 0.00 2.06 0.00 0.00 58.89 61.03 3niu h TRP 452 Cb 0.18 -0.04 -0.02 0.00 -1.00 0.00 0.00 29.16 28.28 3niu h TRP 452 CO 0.01 0.82 0.27 0.00 -3.56 0.00 0.00 178.44 175.97 3niu h ARG 453 N 0.14 0.54 -0.41 0.49 2.47 -1.08 -2.11 114.38 114.42 3niu h ARG 453 Ca -0.02 -0.04 -0.03 0.00 -1.26 0.00 0.00 59.98 58.63 3niu h ARG 453 Cb 1.22 -0.12 -0.02 0.00 -1.65 0.00 0.00 29.97 29.40 3niu h ARG 453 CO 0.10 0.37 0.12 0.78 0.56 0.00 0.00 179.97 181.91 3niu h GLY 454 N 0.55 0.69 0.48 0.04 0.00 -0.99 0.15 103.07 103.99 3niu h GLY 454 Ca 0.15 -0.41 0.20 0.00 0.00 0.00 0.00 47.33 47.27 3niu h GLY 454 CO -0.03 0.39 0.55 -2.75 0.00 0.00 0.00 176.54 174.69 3niu h PHE 455 N 0.52 0.21 -0.67 5.60 3.57 -0.91 -1.05 116.94 124.20 3niu h PHE 455 Ca 0.13 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.64 3niu h PHE 455 Cb 0.27 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 38.95 3niu h PHE 455 CO 0.01 0.06 0.00 0.00 -2.23 0.00 0.00 178.31 176.15 3niu n GLY 457 N 1.35 0.02 3.80 0.00 0.00 -0.40 -5.01 105.19 104.95 3niu n GLY 457 Ca 0.24 -0.21 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 3niu n GLY 457 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3niu s LEU 458 N -4.53 3.80 0.49 0.99 1.43 0.48 -5.00 118.68 116.34 3niu s LEU 458 Ca 0.00 -0.13 -0.23 0.00 -1.03 0.00 0.00 54.13 52.73 3niu s LEU 458 Cb 0.00 -2.41 -0.07 0.00 0.03 0.00 0.00 46.19 43.74 3niu s LEU 458 CO 0.00 0.07 1.33 -1.54 0.23 0.00 0.00 176.35 176.43 3niu n SER 459 N -0.36 2.68 -4.13 2.29 3.41 -1.26 -4.04 113.62 112.19 3niu n SER 459 Ca -0.08 1.04 -0.36 0.00 -0.26 0.00 0.00 58.87 59.21 3niu n SER 459 Cb 0.55 -1.55 -0.12 0.00 -0.26 0.00 0.00 64.21 62.82 3niu n SER 459 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3niu s GLN 460 N -2.58 2.09 0.34 4.33 -0.21 -1.26 -4.85 119.66 117.51 3niu s GLN 460 Ca 0.66 -1.67 -0.29 0.00 0.02 0.00 0.00 55.36 54.09 3niu s GLN 460 Cb -0.45 -3.45 -0.10 0.00 1.00 0.00 0.00 33.01 30.00 3niu s GLN 460 CO 0.53 -0.94 1.35 -2.14 -2.12 0.00 0.00 175.29 171.97 3niu s PRO 461 N 1.16 4.30 -0.04 2.91 0.02 -1.26 -4.94 135.00 137.15 3niu s PRO 461 Ca 0.05 2.29 0.06 0.00 0.02 0.00 0.00 61.00 63.42 3niu s PRO 461 Cb -0.22 -3.05 -0.08 0.00 0.02 0.00 0.00 34.50 31.17 3niu s PRO 461 CO -0.03 -0.27 0.06 1.63 -0.33 0.00 0.00 177.00 178.06 3niu n LYS 462 N 0.78 1.97 -4.66 5.54 4.76 -1.26 -4.59 118.16 120.70 3niu n LYS 462 Ca 0.00 -0.02 -0.30 0.00 -2.87 0.00 0.00 58.31 55.13 3niu n LYS 462 Cb 0.41 -1.15 -0.09 0.00 -1.84 0.00 0.00 35.03 32.36 3niu n LYS 462 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 3niu s THR 463 N -2.25 1.36 0.17 -0.18 -4.23 -1.26 -4.69 115.64 104.56 3niu s THR 463 Ca -0.03 -2.00 -0.14 0.00 -1.18 0.00 0.00 61.69 58.34 3niu s THR 463 Cb 0.03 -2.50 0.06 0.00 1.34 0.00 0.00 72.50 71.42 3niu s THR 463 CO 0.24 0.00 1.82 0.25 -0.54 0.00 0.00 174.62 176.39 3niu h LEU 464 N 1.60 0.51 -0.74 4.79 5.85 -1.97 -1.34 115.31 124.01 3niu h LEU 464 Ca -0.43 -0.00 0.09 0.00 0.84 0.00 0.00 57.88 58.38 3niu h LEU 464 Cb 1.28 -0.11 -0.07 0.00 0.37 0.00 0.00 40.66 42.13 3niu h LEU 464 CO 0.74 0.37 0.39 0.50 -0.34 0.00 0.00 178.44 180.10 3niu h LYS 465 N 0.62 0.65 -0.43 1.25 1.63 -1.99 -0.21 116.57 118.09 3niu h LYS 465 Ca 0.20 -0.04 -0.07 0.00 -0.85 0.00 0.00 60.65 59.89 3niu h LYS 465 Cb -0.01 -0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 31.46 3niu h LYS 465 CO -0.08 0.43 0.01 0.78 -3.45 0.00 0.00 179.45 177.15 3niu h GLY 466 N 0.66 0.81 1.58 5.01 0.00 -1.84 -2.92 103.07 106.38 3niu h GLY 466 Ca 0.36 -0.59 -0.14 0.00 0.00 0.00 0.00 47.33 46.96 3niu h GLY 466 CO -0.25 0.54 -0.49 -2.00 0.00 0.00 0.00 176.54 174.34 3niu h LEU 467 N 0.60 0.49 -1.13 3.11 5.85 -0.87 -2.91 115.31 120.45 3niu h LEU 467 Ca 0.12 -0.24 0.01 0.00 0.84 0.00 0.00 57.88 58.62 3niu h LEU 467 Cb 0.47 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.31 3niu h LEU 467 CO 0.02 0.90 0.59 1.56 -0.34 0.00 0.00 178.44 181.17 3niu h GLN 468 N 0.36 1.16 -0.17 1.25 4.20 -1.02 -0.20 115.11 120.68 3niu h GLN 468 Ca 0.02 -0.07 -0.10 0.00 0.06 0.00 0.00 58.65 58.56 3niu h GLN 468 Cb 0.98 -0.26 -0.01 0.00 0.30 0.00 0.00 27.48 28.49 3niu h GLN 468 CO 0.09 0.77 -0.33 0.00 -0.67 0.00 0.00 178.83 178.68 3niu h ALA 469 N 1.45 1.13 0.00 3.87 0.00 -1.32 -0.97 119.26 123.42 3niu h ALA 469 Ca 0.33 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3niu h ALA 469 Cb -0.11 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 3niu h ALA 469 CO -0.08 0.56 -0.01 0.28 0.00 0.00 0.00 179.25 180.00 3niu h VAL 470 N 0.30 1.36 0.00 0.00 2.07 -1.34 -3.36 116.25 115.28 3niu h VAL 470 Ca 0.04 -2.02 0.00 0.00 0.82 0.00 0.00 66.70 65.53 3niu h VAL 470 Cb 0.72 2.57 0.00 0.00 -1.52 0.00 0.00 31.29 33.07 3niu h VAL 470 CO 0.06 0.46 0.00 -0.07 0.02 0.00 0.00 177.57 178.04 3niu h LEU 471 N -1.00 0.00 2.70 2.57 4.07 -1.09 -3.41 115.31 119.15 3niu h LEU 471 Ca -0.00 0.00 -0.35 0.00 0.08 0.00 0.00 57.88 57.61 3niu h LEU 471 Cb 0.76 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.47 3niu h LEU 471 CO -0.00 0.00 -0.44 0.29 -1.08 0.00 0.00 178.44 177.21 3niu n LYS 472 N -2.38 -1.86 -3.33 1.13 5.02 -0.37 -4.42 118.16 111.95 3niu n LYS 472 Ca 0.04 0.87 -0.08 0.00 -2.02 0.00 0.00 58.31 57.12 3niu n LYS 472 Cb 0.35 -5.49 -0.07 0.00 -0.02 0.00 0.00 35.03 29.80 3niu n LYS 472 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3niu s ASN 473 N -2.07 0.10 0.20 4.39 3.84 -1.23 -5.04 114.94 115.12 3niu s ASN 473 Ca 0.00 0.27 -0.08 0.00 0.21 0.00 0.00 52.86 53.26 3niu s ASN 473 Cb 0.00 1.21 0.13 0.00 -0.55 0.00 0.00 41.25 42.04 3niu s ASN 473 CO 0.00 -0.30 1.69 0.11 -2.79 0.00 0.00 177.10 175.81 3niu h LYS 474 N 8.17 1.06 -0.28 0.43 1.57 -1.93 -2.42 116.57 123.16 3niu h LYS 474 Ca -0.20 -0.30 -0.07 0.00 -1.87 0.00 0.00 60.65 58.22 3niu h LYS 474 Cb 1.16 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.34 3niu h LYS 474 CO 0.27 1.00 -0.08 0.28 -0.57 0.00 0.00 179.45 180.35 3niu h VAL 475 N 0.99 1.28 -0.52 0.50 2.07 -2.00 -2.49 116.25 116.09 3niu h VAL 475 Ca 0.19 -1.12 -0.13 0.00 0.82 0.00 0.00 66.70 66.46 3niu h VAL 475 Cb 0.48 1.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.67 3niu h VAL 475 CO 0.02 0.36 -0.17 0.25 0.02 0.00 0.00 177.57 178.05 3niu h LEU 476 N 0.31 1.04 -1.11 2.57 5.85 -1.95 -1.98 115.31 120.04 3niu h LEU 476 Ca 0.07 -0.38 -0.06 0.00 0.84 0.00 0.00 57.88 58.36 3niu h LEU 476 Cb 0.57 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 3niu h LEU 476 CO 0.03 1.18 -0.01 0.00 -0.34 0.00 0.00 178.44 179.31 3niu h ALA 477 N 0.90 1.27 -0.07 1.25 0.00 -1.43 -0.92 119.26 120.26 3niu h ALA 477 Ca 0.13 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.68 3niu h ALA 477 Cb 0.75 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.38 3niu h ALA 477 CO 0.06 0.49 -0.44 -0.22 0.00 0.00 0.00 179.25 179.15 3niu h LYS 478 N 0.59 0.41 -0.85 0.00 3.64 -1.34 -2.00 116.57 117.02 3niu h LYS 478 Ca 0.12 -0.36 -0.01 0.00 -1.27 0.00 0.00 60.65 59.14 3niu h LYS 478 Cb 0.38 0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.24 3niu h LYS 478 CO 0.01 1.00 0.50 0.87 -2.27 0.00 0.00 179.45 179.57 3niu h LYS 479 N -0.05 1.16 -0.44 1.90 1.57 -1.26 0.12 116.57 119.58 3niu h LYS 479 Ca -0.04 -0.11 -0.12 0.00 -1.87 0.00 0.00 60.65 58.51 3niu h LYS 479 Cb 1.10 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 33.16 3niu h LYS 479 CO 0.09 0.83 -0.21 1.25 -0.57 0.00 0.00 179.45 180.84 3niu h LEU 480 N 1.17 0.89 0.00 2.94 5.85 -1.20 -3.09 115.31 121.87 3niu h LEU 480 Ca 0.30 -0.32 -0.19 0.00 0.84 0.00 0.00 57.88 58.51 3niu h LEU 480 Cb -0.03 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.73 3niu h LEU 480 CO -0.05 1.07 -0.90 -0.07 -0.34 0.00 0.00 178.44 178.14 3niu h LEU 481 N 0.76 0.00 -1.79 2.25 3.38 -1.08 -1.59 115.31 117.23 3niu h LEU 481 Ca 0.10 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 3niu h LEU 481 Cb 0.75 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.50 3niu h LEU 481 CO 0.06 0.88 -0.14 0.44 0.09 0.00 0.00 178.44 179.77 3niu h ASP 482 N 0.00 0.00 0.00 -0.43 5.19 -0.74 0.32 116.42 120.76 3niu h ASP 482 Ca -0.02 0.00 -0.17 0.00 -0.62 0.00 0.00 57.03 56.23 3niu h ASP 482 Cb 1.68 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 41.17 3niu h ASP 482 CO 0.11 0.14 -0.91 -0.07 -3.12 0.00 0.00 179.24 175.39 3niu h LEU 483 N 0.00 0.00 0.00 1.55 3.38 -1.54 -3.41 115.31 115.29 3niu h LEU 483 Ca -0.00 -0.61 0.00 0.00 0.09 0.00 0.00 57.88 57.36 3niu h LEU 483 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 3niu h LEU 483 CO 0.02 1.34 -0.75 1.88 0.09 0.00 0.00 178.44 181.02 3niu h TYR 484 N -1.00 0.00 0.00 1.13 0.05 -1.24 -3.39 116.97 112.53 3niu h TYR 484 Ca -0.25 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.53 3niu h TYR 484 Cb 1.20 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.94 3niu h TYR 484 CO 0.13 0.00 0.00 1.63 -1.05 0.00 0.00 178.16 178.87 3niu n LYS 485 N -2.10 0.00 -3.68 4.88 4.76 0.11 -4.67 118.16 117.46 3niu n LYS 485 Ca 0.03 0.00 -0.14 0.00 -2.87 0.00 0.00 58.31 55.33 3niu n LYS 485 Cb 0.44 -1.97 -0.08 0.00 -1.84 0.00 0.00 35.03 31.58 3niu n LYS 485 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 3niu s THR 486 N -0.13 0.00 0.63 -0.18 -1.32 -1.26 -5.01 115.64 108.37 3niu s THR 486 Ca 0.00 -0.02 0.39 0.00 -1.21 0.00 0.00 61.69 60.84 3niu s THR 486 Cb 0.00 -0.78 0.41 0.00 -1.51 0.00 0.00 72.50 70.62 3niu s THR 486 CO 0.00 -0.01 2.32 -0.65 -2.21 0.00 0.00 174.62 174.07 3niu h PRO 487 N 5.06 0.00 -0.07 7.08 0.11 -1.84 -1.74 132.00 140.60 3niu h PRO 487 Ca -0.28 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.85 3niu h PRO 487 Cb 1.17 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 3niu h PRO 487 CO 0.18 0.00 0.05 -0.44 -0.21 0.00 0.00 178.00 177.59 3niu h ASP 488 N 0.00 0.00 0.25 -2.05 3.32 -1.93 -2.84 116.42 113.18 3niu h ASP 488 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3niu h ASP 488 Cb 0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.57 3niu h ASP 488 CO 0.00 0.00 -0.84 0.59 -1.72 0.00 0.00 179.24 177.27 3niu n ASN 489 N -4.31 0.74 -4.68 6.45 3.02 -0.65 -4.17 115.26 111.65 3niu n ASN 489 Ca -0.01 -0.58 -0.45 0.00 -0.03 0.00 0.00 54.58 53.50 3niu n ASN 489 Cb 0.16 0.72 -0.04 0.00 -0.61 0.00 0.00 39.78 40.00 3niu n ASN 489 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 3niu n ILE 490 N -1.59 0.57 -1.92 2.41 5.41 -1.07 -4.85 119.36 118.32 3niu n ILE 490 Ca 0.04 -0.10 -0.41 0.00 1.00 0.00 0.00 62.75 63.28 3niu n ILE 490 Cb 0.35 -2.03 -0.00 0.00 -0.71 0.00 0.00 39.64 37.25 3niu n ILE 490 CO 0.00 0.00 0.00 -1.81 0.00 0.00 0.00 176.55 174.74 3niu s ASP 491 N 3.76 6.39 0.25 4.38 1.01 -1.26 -0.91 116.67 130.29 3niu s ASP 491 Ca 0.89 2.88 -0.04 0.00 0.71 0.00 0.00 52.55 57.00 3niu s ASP 491 Cb -0.58 -2.66 0.43 0.00 1.01 0.00 0.00 42.92 41.13 3niu s ASP 491 CO 0.45 -0.82 1.78 -0.29 0.21 0.00 0.00 175.17 176.51 3niu h ILE 492 N 2.83 0.83 -0.60 0.77 6.09 -1.88 -1.86 117.51 123.69 3niu h ILE 492 Ca -0.50 -0.23 -0.01 0.00 -1.37 0.00 0.00 64.86 62.74 3niu h ILE 492 Cb 1.24 0.08 -0.03 0.00 0.47 0.00 0.00 36.82 38.59 3niu h ILE 492 CO 0.64 0.12 0.33 -0.25 -3.07 0.00 0.00 178.15 175.92 3niu h TRP 493 N 0.68 0.82 0.05 2.19 7.01 -1.91 -0.85 115.95 123.94 3niu h TRP 493 Ca 0.41 -0.02 -0.23 0.00 2.11 0.00 0.00 58.89 61.16 3niu h TRP 493 Cb 0.47 -0.26 -0.01 0.00 -2.10 0.00 0.00 29.16 27.26 3niu h TRP 493 CO -0.08 0.59 -1.04 0.97 -2.79 0.00 0.00 178.44 176.09 3niu h ILE 494 N 0.81 1.53 0.18 2.65 6.09 -1.88 -3.10 117.51 123.80 3niu h ILE 494 Ca 0.21 -2.93 -0.01 0.00 -1.37 0.00 0.00 64.86 60.76 3niu h ILE 494 Cb 0.04 2.72 0.00 0.00 0.47 0.00 0.00 36.82 40.05 3niu h ILE 494 CO -0.03 0.85 -0.09 1.23 -3.07 0.00 0.00 178.15 177.04 3niu h GLY 495 N 1.92 -0.26 2.00 8.18 0.00 -1.20 -2.05 103.07 111.67 3niu h GLY 495 Ca -0.07 0.10 -0.02 0.00 0.00 0.00 0.00 47.33 47.33 3niu h GLY 495 CO 0.16 -0.09 -0.09 -1.33 0.00 0.00 0.00 176.54 175.18 3niu h GLY 496 N -0.68 0.00 1.06 4.60 0.00 -1.30 -2.55 103.07 104.20 3niu h GLY 496 Ca -0.03 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.28 3niu h GLY 496 CO 0.04 0.00 -1.00 3.43 0.00 0.00 0.00 176.54 179.01 3niu h ASN 497 N 0.00 0.00 1.57 0.19 2.35 -1.54 -3.35 115.58 114.80 3niu h ASN 497 Ca -0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3niu h ASN 497 Cb 0.29 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.66 3niu h ASN 497 CO 0.01 0.09 -0.02 0.00 -1.65 0.00 0.00 177.43 175.87 3niu h ALA 498 N 1.91 0.99 -2.78 -0.83 0.00 -0.92 -3.46 119.26 114.17 3niu h ALA 498 Ca -0.02 -0.01 -0.51 0.00 0.00 0.00 0.00 54.91 54.36 3niu h ALA 498 Cb 1.09 -0.00 0.06 0.00 0.00 0.00 0.00 17.79 18.94 3niu h ALA 498 CO 0.01 0.02 0.54 -1.21 0.00 0.00 0.00 179.25 178.61 3niu s GLU 499 N -3.40 3.99 0.46 0.00 2.02 -1.22 -4.88 118.70 115.67 3niu s GLU 499 Ca 0.04 1.94 -0.24 0.00 0.02 0.00 0.00 54.97 56.74 3niu s GLU 499 Cb 0.07 -2.68 -0.07 0.00 0.10 0.00 0.00 34.13 31.54 3niu s GLU 499 CO 0.62 -0.40 1.28 -2.14 0.02 0.00 0.00 175.26 174.64 3niu s PRO 500 N -2.30 3.68 0.36 0.39 0.02 -1.26 -4.53 135.00 131.35 3niu s PRO 500 Ca 0.58 2.08 -0.28 0.00 0.02 0.00 0.00 61.00 63.40 3niu s PRO 500 Cb -0.33 -2.52 -0.10 0.00 0.02 0.00 0.00 34.50 31.57 3niu s PRO 500 CO 0.42 -0.71 1.29 -1.64 -0.33 0.00 0.00 177.00 176.02 3niu s MET 501 N -2.55 4.23 0.64 5.54 -1.94 -1.26 -4.33 119.30 119.63 3niu s MET 501 Ca 0.63 2.15 -0.15 0.00 -1.71 0.00 0.00 55.69 56.60 3niu s MET 501 Cb -0.36 -2.95 -0.01 0.00 2.01 0.00 0.00 34.83 33.52 3niu s MET 501 CO 0.45 -0.27 1.10 0.14 -0.01 0.00 0.00 175.02 176.44 3niu s VAL 502 N -1.20 3.31 0.22 -6.03 -7.23 -0.65 -4.92 120.40 103.89 3niu s VAL 502 Ca 0.52 0.62 -0.32 0.00 -1.81 0.00 0.00 61.98 60.99 3niu s VAL 502 Cb -0.38 -3.15 -0.12 0.00 0.56 0.00 0.00 36.38 33.29 3niu s VAL 502 CO 0.50 -0.36 1.70 -0.70 -0.31 0.00 0.00 175.10 175.93 3niu s GLU 503 N -4.04 4.13 -0.29 4.82 2.12 -1.26 -1.72 118.70 122.45 3niu s GLU 503 Ca 0.67 2.59 0.00 0.00 0.36 0.00 0.00 54.97 58.59 3niu s GLU 503 Cb -0.20 -3.07 0.00 0.00 0.26 0.00 0.00 34.13 31.12 3niu s GLU 503 CO 0.40 -0.73 0.00 0.54 -0.54 0.00 0.00 175.26 174.93 3niu n ARG 504 N 3.78 -1.11 -4.62 4.30 5.12 -1.26 -2.09 116.66 120.78 3niu n ARG 504 Ca 0.15 0.44 -0.28 0.00 -1.93 0.00 0.00 57.85 56.22 3niu n ARG 504 Cb 0.36 -4.35 -0.09 0.00 -1.16 0.00 0.00 32.46 27.21 3niu n ARG 504 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 3niu s GLY 505 N -2.19 2.67 -0.02 -0.13 0.00 -0.70 -3.95 107.32 103.00 3niu s GLY 505 Ca 0.00 -1.24 0.03 0.00 0.00 0.00 0.00 44.72 43.52 3niu s GLY 505 CO 0.00 -2.03 0.99 0.54 0.00 0.00 0.00 173.10 172.60 3niu n ARG 506 N -1.03 2.49 -4.31 2.90 5.12 0.30 -4.64 116.66 117.49 3niu n ARG 506 Ca -0.10 -1.61 -0.16 0.00 -1.93 0.00 0.00 57.85 54.05 3niu n ARG 506 Cb 0.66 -1.04 -0.10 0.00 -1.16 0.00 0.00 32.46 30.82 3niu n ARG 506 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 3niu s VAL 507 N -1.23 0.92 0.55 1.55 -7.23 -1.18 -4.96 120.40 108.82 3niu s VAL 507 Ca 0.05 -2.02 -0.05 0.00 -1.81 0.00 0.00 61.98 58.15 3niu s VAL 507 Cb 0.05 -2.30 0.12 0.00 0.56 0.00 0.00 36.38 34.81 3niu s VAL 507 CO 0.00 -0.35 0.75 0.61 -0.31 0.00 0.00 175.10 175.80 3niu n GLY 508 N -0.37 -0.22 0.29 2.32 0.00 -1.26 -1.64 105.19 104.31 3niu n GLY 508 Ca -0.05 -1.87 -0.04 0.00 0.00 0.00 0.00 46.02 44.06 3niu n GLY 508 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3niu h PRO 509 N 0.00 0.97 -0.03 1.61 0.11 -1.92 -0.74 132.00 132.01 3niu h PRO 509 Ca -0.24 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 65.80 3niu h PRO 509 Cb 0.79 -0.22 -0.00 0.00 0.11 0.00 0.00 31.00 31.68 3niu h PRO 509 CO 0.22 0.64 0.01 1.25 -0.21 0.00 0.00 178.00 179.91 3niu h LEU 510 N 1.00 0.04 -0.91 2.35 5.85 -1.95 -2.34 115.31 119.35 3niu h LEU 510 Ca 0.28 -0.23 -0.10 0.00 0.84 0.00 0.00 57.88 58.67 3niu h LEU 510 Cb -0.10 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 3niu h LEU 510 CO -0.07 0.26 -0.30 -0.07 -0.34 0.00 0.00 178.44 177.92 3niu h LEU 511 N -0.18 0.44 -1.46 2.25 3.38 -1.78 -1.81 115.31 116.16 3niu h LEU 511 Ca 0.01 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.79 3niu h LEU 511 Cb 0.23 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 3niu h LEU 511 CO 0.00 0.73 0.06 0.00 0.09 0.00 0.00 178.44 179.32 3niu h ALA 512 N 1.30 1.57 0.28 1.53 0.00 -1.06 0.27 119.26 123.15 3niu h ALA 512 Ca 0.05 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3niu h ALA 512 Cb 0.73 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3niu h ALA 512 CO 0.06 0.33 -0.14 0.00 0.00 0.00 0.00 179.25 179.50 3niu h LEU 514 N -0.93 0.60 0.19 0.00 3.38 -1.21 -2.36 115.31 114.97 3niu h LEU 514 Ca -0.04 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3niu h LEU 514 Cb 0.50 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.14 3niu h LEU 514 CO 0.06 0.41 -0.09 -0.07 0.09 0.00 0.00 178.44 178.84 3niu h LEU 515 N 0.73 -0.21 -0.45 1.67 3.38 -0.58 -3.19 115.31 116.66 3niu h LEU 515 Ca 0.26 -0.32 0.09 0.00 0.09 0.00 0.00 57.88 58.00 3niu h LEU 515 Cb 0.07 0.06 -0.10 0.00 0.09 0.00 0.00 40.66 40.77 3niu h LEU 515 CO -0.12 0.30 -0.29 1.23 0.09 0.00 0.00 178.44 179.65 3niu h GLY 516 N -0.83 -0.10 2.00 0.83 0.00 -1.13 -2.01 103.07 101.84 3niu h GLY 516 Ca -0.03 0.37 0.00 0.00 0.00 0.00 0.00 47.33 47.67 3niu h GLY 516 CO 0.04 -0.21 0.00 0.07 0.00 0.00 0.00 176.54 176.44 3niu h ARG 517 N -0.20 0.00 0.13 4.80 0.11 -1.56 -2.61 114.38 115.05 3niu h ARG 517 Ca 0.20 0.00 -0.30 0.00 0.10 0.00 0.00 59.98 59.98 3niu h ARG 517 Cb 0.52 0.00 0.03 0.00 1.11 0.00 0.00 29.97 31.63 3niu h ARG 517 CO -0.56 0.00 -1.26 0.37 0.10 0.00 0.00 179.97 178.62 3niu h GLN 518 N 0.00 0.63 -0.13 0.08 5.75 -1.37 -3.16 115.11 116.91 3niu h GLN 518 Ca 0.00 -0.84 -0.11 0.00 -0.15 0.00 0.00 58.65 57.54 3niu h GLN 518 Cb 0.58 0.28 -0.01 0.00 1.07 0.00 0.00 27.48 29.40 3niu h GLN 518 CO 0.00 1.39 -0.43 0.74 -2.65 0.00 0.00 178.83 177.88 3niu h PHE 519 N 0.28 0.34 -0.46 3.99 0.04 -1.13 -2.26 116.94 117.74 3niu h PHE 519 Ca -0.19 -0.10 -0.14 0.00 2.80 0.00 0.00 57.97 60.34 3niu h PHE 519 Cb 1.93 -0.07 -0.01 0.00 2.20 0.00 0.00 35.95 40.00 3niu h PHE 519 CO 0.12 0.67 -0.26 -0.56 -0.60 0.00 0.00 178.31 177.68 3niu h GLN 520 N 0.24 0.99 -0.50 1.51 3.07 -1.61 -2.78 115.11 116.03 3niu h GLN 520 Ca 0.02 -0.45 -0.03 0.00 0.09 0.00 0.00 58.65 58.28 3niu h GLN 520 Cb 0.86 -0.02 -0.02 0.00 0.08 0.00 0.00 27.48 28.38 3niu h GLN 520 CO 0.07 1.12 0.18 1.96 0.09 0.00 0.00 178.83 182.25 3niu h GLN 521 N 0.83 0.76 0.00 0.06 4.20 -1.47 0.48 115.11 119.97 3niu h GLN 521 Ca 0.10 -0.15 0.00 0.00 0.06 0.00 0.00 58.65 58.66 3niu h GLN 521 Cb 0.85 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.51 3niu h GLN 521 CO 0.07 0.69 0.00 -0.84 -0.67 0.00 0.00 178.83 178.09 3niu h ILE 522 N 0.67 0.00 0.00 2.54 3.07 -1.45 0.11 117.51 122.45 3niu h ILE 522 Ca 0.16 -0.45 -0.01 0.00 1.55 0.00 0.00 64.86 66.11 3niu h ILE 522 Cb 0.23 1.36 -0.00 0.00 -0.27 0.00 0.00 36.82 38.13 3niu h ILE 522 CO -0.01 0.00 -0.27 -0.09 -1.05 0.00 0.00 178.15 176.73 3niu h ARG 523 N 0.00 0.00 -0.13 0.16 2.43 -1.11 -3.32 114.38 112.42 3niu h ARG 523 Ca 0.00 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.12 3niu h ARG 523 Cb 0.52 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.06 3niu h ARG 523 CO 0.00 0.14 -0.15 -0.44 -1.51 0.00 0.00 179.97 178.01 3niu h ASP 524 N -1.00 0.19 -0.44 -3.80 3.32 -0.06 -2.79 116.42 111.84 3niu h ASP 524 Ca -0.02 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.99 3niu h ASP 524 Cb 0.35 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.85 3niu h ASP 524 CO -0.01 0.37 0.00 0.61 -1.72 0.00 0.00 179.24 178.49 3niu n GLY 525 N -0.85 1.83 3.33 2.75 0.00 0.39 -1.35 105.19 111.29 3niu n GLY 525 Ca -0.01 -0.57 -0.37 0.00 0.00 0.00 0.00 46.02 45.07 3niu n GLY 525 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3niu s ASP 526 N -0.78 5.16 0.45 1.61 -1.08 -1.05 -4.62 116.67 116.36 3niu s ASP 526 Ca 0.34 -0.79 0.20 0.00 -0.52 0.00 0.00 52.55 51.78 3niu s ASP 526 Cb 0.22 -1.88 1.09 0.00 -1.46 0.00 0.00 42.92 40.89 3niu s ASP 526 CO 0.17 -0.22 1.96 -0.09 0.52 0.00 0.00 175.17 177.52 3niu h ARG 527 N 8.23 0.00 -0.56 4.34 2.43 -1.87 -2.89 114.38 124.06 3niu h ARG 527 Ca -0.30 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.87 3niu h ARG 527 Cb 1.12 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.67 3niu h ARG 527 CO 0.60 0.22 0.00 1.19 -1.51 0.00 0.00 179.97 180.47 3niu n PHE 528 N -3.92 1.69 -1.77 2.20 3.01 -1.26 -4.92 117.46 112.49 3niu n PHE 528 Ca -0.02 -0.70 -0.41 0.00 1.01 0.00 0.00 57.45 57.33 3niu n PHE 528 Cb 0.30 -0.38 0.00 0.00 -0.01 0.00 0.00 39.48 39.40 3niu n PHE 528 CO 0.00 0.00 0.00 1.87 1.01 0.00 0.00 176.76 179.64 3niu n TRP 529 N 0.66 2.94 0.28 1.38 -0.00 -1.10 -4.90 117.44 116.70 3niu n TRP 529 Ca 0.26 0.44 0.16 0.00 -0.00 0.00 0.00 57.50 58.36 3niu n TRP 529 Cb 1.03 -2.52 0.81 0.00 -0.00 0.00 0.00 31.31 30.63 3niu n TRP 529 CO 0.00 0.00 0.00 0.11 -0.00 0.00 0.00 177.69 177.80 3niu h TRP 530 N 2.80 0.00 0.00 5.87 5.08 -1.93 -2.28 115.95 125.49 3niu h TRP 530 Ca -0.51 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.46 3niu h TRP 530 Cb 1.25 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.41 3niu h TRP 530 CO 0.52 0.07 -0.67 0.39 -1.28 0.00 0.00 178.44 177.47 3niu n GLU 531 N -3.39 0.03 -1.87 0.12 1.02 -1.26 -4.52 120.64 110.77 3niu n GLU 531 Ca -0.01 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.71 3niu n GLU 531 Cb 0.23 -1.51 -0.03 0.00 -0.02 0.00 0.00 31.44 30.11 3niu n GLU 531 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 3niu s ASN 532 N -3.11 6.58 0.23 1.62 2.47 -0.86 -4.93 114.94 116.94 3niu s ASN 532 Ca 0.10 2.42 -0.32 0.00 0.42 0.00 0.00 52.86 55.47 3niu s ASN 532 Cb 0.17 -2.53 -0.13 0.00 -1.45 0.00 0.00 41.25 37.30 3niu s ASN 532 CO 0.75 -0.98 1.46 -2.65 -3.72 0.00 0.00 177.10 171.96 3niu n PRO 533 N 7.25 2.11 0.00 0.43 -0.02 -1.26 -2.43 135.00 141.07 3niu n PRO 533 Ca 0.18 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.42 3niu n PRO 533 Cb 0.42 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.46 3niu n PRO 533 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3niu n GLY 534 N 2.40 2.28 0.11 -1.23 0.00 -1.26 -4.93 105.19 102.55 3niu n GLY 534 Ca 0.12 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.09 3niu n GLY 534 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3niu h VAL 535 N 0.00 0.32 -3.08 1.61 2.07 -1.81 -3.46 116.25 111.90 3niu h VAL 535 Ca 0.00 -1.07 -0.64 0.00 0.82 0.00 0.00 66.70 65.82 3niu h VAL 535 Cb 0.00 0.58 -0.16 0.00 -1.52 0.00 0.00 31.29 30.20 3niu h VAL 535 CO 0.00 0.10 -0.76 -0.36 0.02 0.00 0.00 177.57 176.57 3niu s PHE 536 N -2.34 2.53 1.00 1.57 0.40 -1.26 -5.12 117.98 114.76 3niu s PHE 536 Ca -0.06 -0.26 -0.15 0.00 -0.60 0.00 0.00 56.93 55.86 3niu s PHE 536 Cb -0.00 -1.24 0.19 0.00 0.51 0.00 0.00 43.02 42.48 3niu s PHE 536 CO 0.20 0.51 1.15 0.95 0.70 0.00 0.00 175.22 178.73 3niu s THR 537 N -1.68 1.90 0.24 0.64 -4.23 -1.26 -4.81 115.64 106.44 3niu s THR 537 Ca 0.23 0.00 -0.01 0.00 -1.18 0.00 0.00 61.69 60.73 3niu s THR 537 Cb -0.09 -2.69 0.03 0.00 1.34 0.00 0.00 72.50 71.10 3niu s THR 537 CO 0.13 0.00 1.64 -0.08 -0.54 0.00 0.00 174.62 175.78 3niu h GLU 538 N -1.84 0.62 -0.23 3.99 4.81 -2.00 -0.73 114.58 119.21 3niu h GLU 538 Ca -0.49 -0.27 -0.12 0.00 -0.13 0.00 0.00 59.36 58.35 3niu h GLU 538 Cb 1.31 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.66 3niu h GLU 538 CO 0.51 0.84 -0.37 0.87 -0.73 0.00 0.00 179.01 180.13 3niu h LYS 539 N 0.54 0.51 -0.32 1.92 1.79 -1.95 -2.67 116.57 116.39 3niu h LYS 539 Ca 0.07 -0.24 -0.18 0.00 -2.18 0.00 0.00 60.65 58.12 3niu h LYS 539 Cb 0.77 -0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.41 3niu h LYS 539 CO 0.06 0.81 -0.49 1.96 -1.08 0.00 0.00 179.45 180.71 3niu h GLN 540 N 0.43 0.90 -0.57 3.15 4.20 -1.79 -3.13 115.11 118.30 3niu h GLN 540 Ca 0.04 -0.54 -0.02 0.00 0.06 0.00 0.00 58.65 58.20 3niu h GLN 540 Cb 0.84 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.65 3niu h GLN 540 CO 0.07 1.18 0.27 0.00 -0.67 0.00 0.00 178.83 179.68 3niu h ARG 541 N 0.70 0.82 -0.95 1.46 3.08 -1.09 -2.39 114.38 116.01 3niu h ARG 541 Ca 0.03 -0.12 0.01 0.00 0.07 0.00 0.00 59.98 59.97 3niu h ARG 541 Cb 1.09 -0.15 -0.05 0.00 0.08 0.00 0.00 29.97 30.95 3niu h ARG 541 CO 0.11 0.67 0.63 -0.44 -1.07 0.00 0.00 179.97 179.87 3niu h ASP 542 N 0.77 1.08 -0.04 7.04 3.32 -1.51 -2.04 116.42 125.03 3niu h ASP 542 Ca 0.19 -0.03 -0.16 0.00 0.02 0.00 0.00 57.03 57.05 3niu h ASP 542 Cb 0.13 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 3niu h ASP 542 CO -0.02 0.78 -0.54 0.28 -1.72 0.00 0.00 179.24 178.02 3niu h SER 543 N 1.28 0.69 0.59 6.45 0.02 -1.48 -3.02 113.55 118.08 3niu h SER 543 Ca 0.35 -0.37 -0.04 0.00 -0.84 0.00 0.00 61.79 60.89 3niu h SER 543 Cb -0.14 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.20 3niu h SER 543 CO -0.08 1.10 -0.20 -0.07 -1.14 0.00 0.00 176.83 176.43 3niu h LEU 544 N 0.48 0.00 -1.07 5.07 3.38 -1.11 -2.88 115.31 119.19 3niu h LEU 544 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3niu h LEU 544 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 3niu h LEU 544 CO 0.11 0.20 0.00 1.56 0.09 0.00 0.00 178.44 180.40 3niu h GLN 545 N 0.00 0.00 -0.02 1.13 4.20 -1.24 -2.74 115.11 116.44 3niu h GLN 545 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3niu h GLN 545 Cb 0.55 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.33 3niu h GLN 545 CO 0.03 0.00 -0.14 1.63 -0.67 0.00 0.00 178.83 179.68 3niu n LYS 546 N -2.44 1.79 -2.03 1.46 5.02 -1.09 -4.96 118.16 115.91 3niu n LYS 546 Ca 0.01 -1.38 -0.39 0.00 -2.02 0.00 0.00 58.31 54.53 3niu n LYS 546 Cb 0.21 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.75 3niu n LYS 546 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3niu s VAL 547 N -2.16 2.57 -0.00 -0.18 -7.23 -1.04 -4.83 120.40 107.53 3niu s VAL 547 Ca 0.27 0.49 -0.11 0.00 -1.81 0.00 0.00 61.98 60.82 3niu s VAL 547 Cb 0.20 -3.28 0.01 0.00 0.56 0.00 0.00 36.38 33.87 3niu s VAL 547 CO 0.39 0.05 0.23 -0.94 -0.31 0.00 0.00 175.10 174.53 3niu s SER 548 N -0.84 -0.08 0.53 4.85 1.04 -1.26 -4.92 113.70 113.01 3niu s SER 548 Ca 0.60 -0.08 0.19 0.00 0.48 0.00 0.00 55.95 57.14 3niu s SER 548 Cb -0.37 0.27 1.37 0.00 0.10 0.00 0.00 66.02 67.38 3niu s SER 548 CO 0.47 -0.43 2.16 0.15 0.98 0.00 0.00 173.24 176.57 3niu h PHE 549 N 3.96 0.00 -0.68 5.02 3.57 -1.96 -1.76 116.94 125.09 3niu h PHE 549 Ca -0.30 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.23 3niu h PHE 549 Cb 1.19 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.88 3niu h PHE 549 CO 0.55 0.01 0.42 0.77 -2.23 0.00 0.00 178.31 177.83 3niu h SER 550 N 0.00 0.68 -0.56 0.41 0.02 -1.88 -2.08 113.55 110.14 3niu h SER 550 Ca -0.00 0.01 -0.11 0.00 -0.84 0.00 0.00 61.79 60.84 3niu h SER 550 Cb 0.02 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.40 3niu h SER 550 CO 0.00 0.46 -0.09 -0.09 -1.14 0.00 0.00 176.83 175.98 3niu h ARG 551 N 0.81 1.04 -0.29 3.45 9.65 -1.64 -2.75 114.38 124.65 3niu h ARG 551 Ca 0.28 -0.37 0.04 0.00 -1.10 0.00 0.00 59.98 58.83 3niu h ARG 551 Cb 0.05 -0.07 -0.04 0.00 -1.39 0.00 0.00 29.97 28.52 3niu h ARG 551 CO -0.12 1.07 0.06 1.25 2.80 0.00 0.00 179.97 185.03 3niu h LEU 552 N 0.92 0.02 -0.70 3.80 5.85 -1.18 0.48 115.31 124.50 3niu h LEU 552 Ca 0.15 0.04 0.09 0.00 0.84 0.00 0.00 57.88 59.00 3niu h LEU 552 Cb 0.65 0.06 -0.07 0.00 0.37 0.00 0.00 40.66 41.67 3niu h LEU 552 CO 0.05 0.05 0.36 0.40 -0.34 0.00 0.00 178.44 178.95 3niu h ILE 553 N 0.17 0.86 0.10 4.05 2.04 -1.36 -2.78 117.51 120.60 3niu h ILE 553 Ca 0.13 -0.21 -0.28 0.00 1.00 0.00 0.00 64.86 65.50 3niu h ILE 553 Cb 0.14 0.20 0.02 0.00 -0.74 0.00 0.00 36.82 36.43 3niu h ILE 553 CO -0.17 0.11 -1.19 0.00 0.00 0.00 0.00 178.15 176.90 3niu h ASP 555 N 0.22 0.00 -0.00 0.00 3.32 -0.99 -3.35 116.42 115.62 3niu h ASP 555 Ca -0.16 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.89 3niu h ASP 555 Cb 1.86 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.41 3niu h ASP 555 CO 0.22 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.33 3niu n ASN 556 N -2.86 1.28 -1.60 6.45 3.02 -1.05 -5.05 115.26 115.44 3niu n ASN 556 Ca 0.02 -1.27 -0.03 0.00 -0.03 0.00 0.00 54.58 53.26 3niu n ASN 556 Cb 0.34 -0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.50 3niu n ASN 556 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3niu n THR 557 N -0.12 0.00 -1.25 3.41 -2.24 -0.26 -4.98 114.28 108.83 3niu n THR 557 Ca 0.00 -0.32 0.03 0.00 -2.27 0.00 0.00 64.05 61.49 3niu n THR 557 Cb 0.07 0.13 0.21 0.00 -2.10 0.00 0.00 70.33 68.65 3niu n THR 557 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3niu n HIS 558 N -0.11 0.79 -2.98 4.78 8.25 -1.26 -4.87 115.22 119.82 3niu n HIS 558 Ca -0.00 -1.25 -0.41 0.00 -0.26 0.00 0.00 57.72 55.79 3niu n HIS 558 Cb 0.08 -0.36 -0.05 0.00 1.12 0.00 0.00 29.99 30.78 3niu n HIS 558 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3niu s ILE 559 N -3.05 4.91 -1.32 1.59 1.01 -1.26 -4.94 121.20 118.14 3niu s ILE 559 Ca 0.41 1.43 0.14 0.00 0.00 0.00 0.00 60.65 62.64 3niu s ILE 559 Cb 0.36 -4.06 0.00 0.00 0.01 0.00 0.00 42.46 38.78 3niu s ILE 559 CO 0.03 0.01 0.79 0.35 0.00 0.00 0.00 174.94 176.12 3niu n THR 560 N 4.98 0.00 -3.98 2.92 -2.24 -1.26 -4.60 114.28 110.11 3niu n THR 560 Ca 0.03 -0.36 -0.31 0.00 -2.27 0.00 0.00 64.05 61.14 3niu n THR 560 Cb 0.49 1.17 -0.15 0.00 -2.10 0.00 0.00 70.33 69.74 3niu n THR 560 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3niu s LYS 561 N -1.69 1.81 0.07 -0.78 -0.14 -1.26 -2.74 119.74 115.01 3niu s LYS 561 Ca 0.12 -1.06 0.04 0.00 -1.36 0.00 0.00 55.97 53.71 3niu s LYS 561 Cb 0.11 -2.64 -0.03 0.00 -1.68 0.00 0.00 37.83 33.59 3niu s LYS 561 CO 0.34 -0.57 -0.11 0.14 -0.76 0.00 0.00 175.35 174.39 3niu s VAL 562 N 1.33 0.93 0.58 3.17 -7.23 -0.96 -4.92 120.40 113.30 3niu s VAL 562 Ca -0.06 -1.36 -0.13 0.00 -1.81 0.00 0.00 61.98 58.61 3niu s VAL 562 Cb -0.19 -1.06 -0.05 0.00 0.56 0.00 0.00 36.38 35.64 3niu s VAL 562 CO -0.06 -0.37 1.01 -2.16 -0.31 0.00 0.00 175.10 173.22 3niu s PRO 563 N -2.04 3.71 0.15 4.82 0.04 -1.26 -2.25 135.00 138.18 3niu s PRO 563 Ca -0.01 0.85 -0.11 0.00 0.04 0.00 0.00 61.00 61.76 3niu s PRO 563 Cb -0.08 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 32.37 3niu s PRO 563 CO 0.01 -0.47 1.55 -0.07 0.04 0.00 0.00 177.00 178.06 3niu h LEU 564 N 0.18 0.95 -7.51 -3.56 3.38 -1.96 -3.38 115.31 103.42 3niu h LEU 564 Ca -0.45 -0.37 -0.67 0.00 0.09 0.00 0.00 57.88 56.48 3niu h LEU 564 Cb 1.19 -0.26 -0.38 0.00 0.09 0.00 0.00 40.66 41.29 3niu h LEU 564 CO 0.61 1.11 -0.54 -1.00 0.09 0.00 0.00 178.44 178.72 3niu s HIS 565 N -4.76 3.35 0.03 1.13 3.76 -1.26 -4.84 115.29 112.71 3niu s HIS 565 Ca -0.12 -2.94 0.33 0.00 -0.15 0.00 0.00 55.06 52.17 3niu s HIS 565 Cb 0.12 -3.00 1.40 0.00 1.11 0.00 0.00 32.58 32.21 3niu s HIS 565 CO 0.85 -0.81 1.96 0.00 -0.85 0.00 0.00 174.74 175.89 3niu h ALA 566 N 6.91 1.00 0.06 -1.40 0.00 -1.99 -3.20 119.26 120.64 3niu h ALA 566 Ca -0.06 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.60 3niu h ALA 566 Cb 0.94 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 3niu h ALA 566 CO 0.68 0.00 -1.19 0.74 0.00 0.00 0.00 179.25 179.49 3niu h PHE 567 N 0.00 0.25 -3.95 0.00 0.04 -1.95 -3.44 116.94 107.88 3niu h PHE 567 Ca 0.00 -0.18 -0.49 0.00 2.80 0.00 0.00 57.97 60.10 3niu h PHE 567 Cb 0.41 -0.01 0.06 0.00 2.20 0.00 0.00 35.95 38.61 3niu h PHE 567 CO 0.00 1.15 0.26 1.14 -0.60 0.00 0.00 178.31 180.26 3niu s GLN 568 N -2.67 3.11 0.03 1.51 -2.07 -1.21 -1.56 119.66 116.80 3niu s GLN 568 Ca -0.02 0.26 -0.30 0.00 -1.82 0.00 0.00 55.36 53.47 3niu s GLN 568 Cb 0.08 -2.20 -0.07 0.00 -1.09 0.00 0.00 33.01 29.74 3niu s GLN 568 CO 0.85 -0.68 1.54 0.00 -1.32 0.00 0.00 175.29 175.68 3niu s ALA 569 N -3.07 3.64 -0.02 2.60 0.00 -1.13 -4.23 121.76 119.55 3niu s ALA 569 Ca 0.54 1.05 0.05 0.00 0.00 0.00 0.00 51.96 53.60 3niu s ALA 569 Cb -0.11 -3.66 -0.01 0.00 0.00 0.00 0.00 23.12 19.35 3niu s ALA 569 CO 0.48 -1.04 -0.17 -0.80 0.00 0.00 0.00 175.76 174.23 3niu s ASN 570 N 2.24 2.06 -0.11 0.00 -0.87 -1.26 -4.92 114.94 112.08 3niu s ASN 570 Ca 0.69 -0.32 -0.04 0.00 -1.57 0.00 0.00 52.86 51.62 3niu s ASN 570 Cb -0.36 -0.33 -0.04 0.00 -0.02 0.00 0.00 41.25 40.51 3niu s ASN 570 CO 0.29 0.20 0.04 0.20 -2.57 0.00 0.00 177.10 175.26 3niu s ASN 571 N -0.28 5.57 0.09 -1.22 0.01 -1.26 -4.70 114.94 113.14 3niu s ASN 571 Ca 0.04 0.22 -0.20 0.00 -0.71 0.00 0.00 52.86 52.20 3niu s ASN 571 Cb -0.08 -1.69 -0.07 0.00 0.41 0.00 0.00 41.25 39.82 3niu s ASN 571 CO 0.00 0.36 0.60 -0.47 -1.51 0.00 0.00 177.10 176.08 3niu s TYR 572 N -0.76 3.82 -1.33 2.20 5.04 -1.26 -1.41 117.35 123.66 3niu s TYR 572 Ca 0.12 1.33 0.24 0.00 -2.44 0.00 0.00 57.07 56.32 3niu s TYR 572 Cb -0.12 -2.54 0.28 0.00 0.35 0.00 0.00 41.96 39.92 3niu s TYR 572 CO 0.03 0.57 1.25 -0.35 -1.34 0.00 0.00 175.55 175.71 3niu n PRO 573 N 1.71 0.37 -0.16 4.97 -0.04 -1.26 -4.94 135.00 135.66 3niu n PRO 573 Ca -0.10 -0.26 -0.03 0.00 -0.04 0.00 0.00 63.50 63.07 3niu n PRO 573 Cb 0.50 -1.49 0.06 0.00 -0.04 0.00 0.00 33.50 32.53 3niu n PRO 573 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3niu h HIS 574 N 0.65 0.19 -0.00 0.54 2.76 -1.98 -1.53 115.15 115.77 3niu h HIS 574 Ca 0.00 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.20 3niu h HIS 574 Cb 0.54 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.49 3niu h HIS 574 CO 0.00 0.02 -0.12 -0.25 -1.30 0.00 0.00 177.93 176.27 3niu n ASP 575 N -5.09 0.32 -4.71 3.26 8.00 -0.50 -4.79 116.55 113.05 3niu n ASP 575 Ca 0.05 -0.29 -0.36 0.00 0.71 0.00 0.00 54.79 54.90 3niu n ASP 575 Cb 0.23 -0.14 -0.08 0.00 -0.02 0.00 0.00 41.12 41.12 3niu n ASP 575 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3niu s PHE 576 N -2.64 3.41 0.40 1.24 0.40 -0.58 -4.26 117.98 115.95 3niu s PHE 576 Ca 0.24 0.47 0.08 0.00 -0.60 0.00 0.00 56.93 57.12 3niu s PHE 576 Cb 0.20 -2.32 -0.04 0.00 0.51 0.00 0.00 43.02 41.37 3niu s PHE 576 CO 0.51 0.18 0.22 0.14 0.70 0.00 0.00 175.22 176.97 3niu s VAL 577 N 0.68 2.51 0.70 -0.44 -7.23 -0.95 -4.92 120.40 110.74 3niu s VAL 577 Ca 0.13 -1.62 -0.12 0.00 -1.81 0.00 0.00 61.98 58.57 3niu s VAL 577 Cb -0.13 -2.99 0.01 0.00 0.56 0.00 0.00 36.38 33.83 3niu s VAL 577 CO 0.03 -0.03 1.07 -0.62 -0.31 0.00 0.00 175.10 175.24 3niu s ASP 578 N -3.94 5.23 0.36 4.85 -1.08 -1.26 -2.27 116.67 118.56 3niu s ASP 578 Ca 0.42 1.71 0.25 0.00 -0.52 0.00 0.00 52.55 54.41 3niu s ASP 578 Cb 0.01 -2.51 0.69 0.00 -1.46 0.00 0.00 42.92 39.65 3niu s ASP 578 CO 0.24 -1.54 1.72 0.00 0.52 0.00 0.00 175.17 176.11 3niu h SER 580 N 0.00 0.00 0.88 0.00 4.64 -1.93 -2.04 113.55 115.10 3niu h SER 580 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3niu h SER 580 Cb 0.79 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.88 3niu h SER 580 CO 0.00 0.04 -0.00 0.00 -0.87 0.00 0.00 176.83 176.00 3niu n ALA 581 N -2.14 2.37 -2.71 5.18 0.00 -0.91 -4.78 120.51 117.52 3niu n ALA 581 Ca -0.01 -0.11 -0.37 0.00 0.00 0.00 0.00 53.44 52.94 3niu n ALA 581 Cb 0.22 -1.47 -0.07 0.00 0.00 0.00 0.00 19.45 18.12 3niu n ALA 581 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3niu s VAL 582 N -2.89 5.25 0.25 0.00 1.01 -0.77 -5.05 120.40 118.21 3niu s VAL 582 Ca 0.18 0.69 -0.31 0.00 0.00 0.00 0.00 61.98 62.54 3niu s VAL 582 Cb 0.19 -3.70 -0.13 0.00 0.00 0.00 0.00 36.38 32.74 3niu s VAL 582 CO 0.51 0.33 1.34 0.47 0.00 0.00 0.00 175.10 177.76 3niu n ASP 583 N 3.86 2.53 -4.89 3.32 9.92 -1.26 -5.01 116.55 125.02 3niu n ASP 583 Ca -0.10 1.15 -0.29 0.00 -0.53 0.00 0.00 54.79 55.02 3niu n ASP 583 Cb 0.52 -1.41 -0.03 0.00 -0.64 0.00 0.00 41.12 39.55 3niu n ASP 583 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 3niu s LYS 584 N -0.68 3.71 -0.27 -1.24 1.02 -1.26 -4.82 119.74 116.19 3niu s LYS 584 Ca 0.66 0.21 -0.25 0.00 0.02 0.00 0.00 55.97 56.62 3niu s LYS 584 Cb -0.66 -2.55 0.00 0.00 -0.52 0.00 0.00 37.83 34.11 3niu s LYS 584 CO 0.52 0.12 0.85 -1.17 -0.92 0.00 0.00 175.35 174.76 3niu s LEU 585 N -3.60 4.07 -0.28 3.17 2.96 -1.26 -4.91 118.68 118.83 3niu s LEU 585 Ca 0.47 0.91 -0.22 0.00 -0.22 0.00 0.00 54.13 55.08 3niu s LEU 585 Cb -0.11 -3.20 -0.01 0.00 0.50 0.00 0.00 46.19 43.37 3niu s LEU 585 CO 0.30 -0.60 0.70 -0.62 -1.32 0.00 0.00 176.35 174.81 3niu s ASP 586 N 1.47 6.62 -0.12 3.68 2.15 -1.26 -4.94 116.67 124.27 3niu s ASP 586 Ca 0.36 0.67 0.16 0.00 0.43 0.00 0.00 52.55 54.17 3niu s ASP 586 Cb -0.14 -2.37 0.66 0.00 -0.30 0.00 0.00 42.92 40.77 3niu s ASP 586 CO 0.10 -0.48 1.55 0.18 -0.17 0.00 0.00 175.17 176.35 3niu n LEU 587 N 5.93 4.45 -0.14 -1.34 4.77 -1.26 -4.49 117.00 124.91 3niu n LEU 587 Ca 0.01 -2.25 -0.10 0.00 -0.03 0.00 0.00 56.01 53.65 3niu n LEU 587 Cb 0.48 -0.56 -0.01 0.00 -2.33 0.00 0.00 43.42 41.00 3niu n LEU 587 CO 0.46 0.72 0.81 0.77 -1.33 0.00 0.00 177.39 178.82 3niu h SER 588 N 3.69 0.70 0.02 -1.43 4.64 -1.98 -2.72 113.55 116.46 3niu h SER 588 Ca 0.00 -0.29 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 3niu h SER 588 Cb 1.39 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3niu h SER 588 CO 0.24 0.81 0.00 -0.81 -0.87 0.00 0.00 176.83 176.20 3niu n PRO 589 N -4.46 0.03 0.04 4.77 -0.04 -1.26 -0.29 135.00 133.80 3niu n PRO 589 Ca -0.00 0.18 0.11 0.00 -0.04 0.00 0.00 63.50 63.75 3niu n PRO 589 Cb 0.27 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.26 3niu n PRO 589 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 3niu n TRP 590 N -1.19 0.41 -1.67 0.54 8.01 -1.02 -4.78 117.44 117.75 3niu n TRP 590 Ca 0.01 0.12 -0.42 0.00 -1.31 0.00 0.00 57.50 55.90 3niu n TRP 590 Cb 0.01 -0.56 -0.03 0.00 -2.01 0.00 0.00 31.31 28.72 3niu n TRP 590 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 3niu s ALA 591 N -3.24 3.63 0.30 6.99 0.00 0.60 -4.96 121.76 125.09 3niu s ALA 591 Ca 0.03 1.37 0.09 0.00 0.00 0.00 0.00 51.96 53.45 3niu s ALA 591 Cb 0.13 -3.83 -0.04 0.00 0.00 0.00 0.00 23.12 19.38 3niu s ALA 591 CO 0.79 -1.50 0.06 0.45 0.00 0.00 0.00 175.76 175.56 3niu s SER 592 N 4.05 4.58 0.03 0.00 0.15 -1.26 -5.09 113.70 116.16 3niu s SER 592 Ca 0.87 -0.72 -0.09 0.00 0.70 0.00 0.00 55.95 56.71 3niu s SER 592 Cb -0.44 -0.78 0.00 0.00 -1.71 0.00 0.00 66.02 63.09 3niu s SER 592 CO 0.41 -0.14 0.18 -0.60 1.20 0.00 0.00 173.24 174.29 3niu s ARG 593 N -3.75 0.66 -0.21 5.44 6.06 -1.26 -4.92 118.95 120.97 3niu s ARG 593 Ca 0.34 -0.62 0.02 0.00 -2.50 0.00 0.00 55.73 52.98 3niu s ARG 593 Cb -0.04 0.27 -0.20 0.00 0.06 0.00 0.00 34.95 35.04 3niu s ARG 593 CO 0.21 -0.18 -0.03 0.39 -2.50 0.00 0.00 175.30 173.19 3niu n GLU 594 N 0.79 0.68 0.00 5.12 1.02 -1.26 -5.26 120.64 121.73 3niu n GLU 594 Ca -0.19 0.16 0.04 0.00 -0.02 0.00 0.00 57.16 57.15 3niu n GLU 594 Cb 0.58 -1.57 0.26 0.00 -0.02 0.00 0.00 31.44 30.69 3niu n GLU 594 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40