#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s44 h ILE 3 N 0.00 0.94 -4.11 0.58 2.04 -2.04 -3.44 117.51 111.47 1s44 h ILE 3 Ca 0.00 -0.75 -0.55 0.00 1.00 0.00 0.00 64.86 64.56 1s44 h ILE 3 Cb 0.00 1.38 0.15 0.00 -0.74 0.00 0.00 36.82 37.61 1s44 h ILE 3 CO 0.00 0.17 0.51 -2.84 0.00 0.00 0.00 178.15 175.99 1s44 s PRO 4 N -4.58 2.60 0.00 2.37 0.02 -1.26 -4.85 135.00 129.30 1s44 s PRO 4 Ca -0.14 2.03 0.18 0.00 0.02 0.00 0.00 61.00 63.09 1s44 s PRO 4 Cb 0.02 -1.86 0.88 0.00 0.02 0.00 0.00 34.50 33.57 1s44 s PRO 4 CO 0.59 -1.55 1.57 0.27 -0.33 0.00 0.00 177.00 177.55 1s44 n ASN 5 N -1.87 0.00 -1.15 2.53 0.23 -1.26 -1.68 115.26 112.06 1s44 n ASN 5 Ca 0.16 0.18 0.10 0.00 -0.53 0.00 0.00 54.58 54.50 1s44 n ASN 5 Cb 0.48 -0.36 0.26 0.00 -2.08 0.00 0.00 39.78 38.08 1s44 n ASN 5 CO 0.00 0.00 0.00 2.22 -0.93 0.00 0.00 177.26 178.55 1s44 n PHE 6 N -1.36 0.74 -3.86 -2.53 1.16 -1.26 -4.78 117.46 105.57 1s44 n PHE 6 Ca 0.07 -0.42 -0.36 0.00 -1.87 0.00 0.00 57.45 54.87 1s44 n PHE 6 Cb 0.17 -0.01 -0.14 0.00 -1.61 0.00 0.00 39.48 37.90 1s44 n PHE 6 CO 0.00 0.00 0.00 0.08 -1.87 0.00 0.00 176.76 174.97 1s44 s VAL 7 N -1.12 3.47 -0.03 1.97 1.01 -0.68 -3.41 120.40 121.61 1s44 s VAL 7 Ca 0.41 -0.72 0.03 0.00 0.00 0.00 0.00 61.98 61.70 1s44 s VAL 7 Cb 0.22 -2.72 0.00 0.00 0.00 0.00 0.00 36.38 33.89 1s44 s VAL 7 CO 0.29 0.23 -0.11 -0.69 0.00 0.00 0.00 175.10 174.81 1s44 s VAL 8 N 1.44 0.98 0.51 2.92 1.01 0.52 -4.81 120.40 122.98 1s44 s VAL 8 Ca 0.03 -0.46 -0.20 0.00 0.00 0.00 0.00 61.98 61.34 1s44 s VAL 8 Cb -0.16 -0.86 -0.09 0.00 0.00 0.00 0.00 36.38 35.26 1s44 s VAL 8 CO -0.01 0.30 0.71 -2.65 0.00 0.00 0.00 175.10 173.45 1s44 n PRO 9 N 3.30 0.77 0.00 2.72 -0.02 -1.26 -0.65 135.00 139.85 1s44 n PRO 9 Ca -0.19 0.29 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 1s44 n PRO 9 Cb 0.54 -1.82 0.00 0.00 -0.02 0.00 0.00 33.50 32.20 1s44 n PRO 9 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s44 n GLY 10 N 1.57 -0.43 3.77 -1.23 0.00 -0.41 -4.67 105.19 103.80 1s44 n GLY 10 Ca 0.11 -1.73 -0.36 0.00 0.00 0.00 0.00 46.02 44.05 1s44 n GLY 10 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1s44 s LYS 11 N -2.05 3.56 0.27 1.61 2.47 -1.25 -2.32 119.74 122.03 1s44 s LYS 11 Ca 0.00 1.72 -0.28 0.00 -1.56 0.00 0.00 55.97 55.85 1s44 s LYS 11 Cb 0.00 -2.23 -0.15 0.00 -1.46 0.00 0.00 37.83 34.00 1s44 s LYS 11 CO 0.00 -0.70 0.95 0.00 0.16 0.00 0.00 175.35 175.76 1s44 n ALA 13 N 0.30 0.05 -2.65 0.00 0.00 -1.26 -5.00 120.51 111.95 1s44 n ALA 13 Ca 0.11 -0.18 -0.41 0.00 0.00 0.00 0.00 53.44 52.96 1s44 n ALA 13 Cb 0.30 -2.18 -0.04 0.00 0.00 0.00 0.00 19.45 17.54 1s44 n ALA 13 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1s44 s SER 14 N -1.67 7.26 -0.06 0.00 0.01 -1.26 -4.97 113.70 113.01 1s44 s SER 14 Ca 0.75 1.52 0.08 0.00 1.31 0.00 0.00 55.95 59.62 1s44 s SER 14 Cb -0.34 -2.52 0.13 0.00 0.21 0.00 0.00 66.02 63.50 1s44 s SER 14 CO 0.48 -0.18 1.01 1.33 0.41 0.00 0.00 173.24 176.29 1s44 n VAL 15 N 3.69 1.12 -3.32 3.43 0.24 -1.26 -4.94 118.33 117.29 1s44 n VAL 15 Ca 0.03 -1.28 -0.16 0.00 -2.04 0.00 0.00 64.34 60.89 1s44 n VAL 15 Cb 0.51 0.23 0.08 0.00 -1.47 0.00 0.00 33.84 33.19 1s44 n VAL 15 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1s44 n ASP 16 N -0.78 -4.74 0.01 -1.34 8.00 -1.26 -4.89 116.55 111.55 1s44 n ASP 16 Ca 0.07 -0.67 0.02 0.00 0.71 0.00 0.00 54.79 54.92 1s44 n ASP 16 Cb 0.52 -5.16 0.35 0.00 -0.02 0.00 0.00 41.12 36.82 1s44 n ASP 16 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 1s44 h ARG 17 N -1.41 0.51 -0.16 -1.24 3.08 -1.96 -2.99 114.38 110.21 1s44 h ARG 17 Ca -0.60 -0.08 -0.10 0.00 0.07 0.00 0.00 59.98 59.27 1s44 h ARG 17 Cb 1.32 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.28 1s44 h ARG 17 CO 0.46 0.47 -0.31 -0.91 -1.07 0.00 0.00 179.97 178.61 1s44 h ASN 18 N 0.51 0.55 -0.75 7.04 2.35 -1.90 0.51 115.58 123.88 1s44 h ASN 18 Ca 0.12 -0.55 0.14 0.00 -0.55 0.00 0.00 56.30 55.46 1s44 h ASN 18 Cb 0.18 -0.16 -0.09 0.00 0.05 0.00 0.00 38.32 38.30 1s44 h ASN 18 CO -0.01 0.99 0.31 0.50 -1.65 0.00 0.00 177.43 177.58 1s44 h LYS 19 N 0.13 0.46 -0.34 0.81 3.64 -1.94 -0.66 116.57 118.66 1s44 h LYS 19 Ca 0.01 -0.03 -0.13 0.00 -1.27 0.00 0.00 60.65 59.23 1s44 h LYS 19 Cb 0.90 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.60 1s44 h LYS 19 CO 0.07 0.30 -0.31 -0.07 -2.27 0.00 0.00 179.45 177.17 1s44 h LEU 20 N 0.47 0.75 -0.75 5.20 3.38 -1.31 -1.96 115.31 121.10 1s44 h LEU 20 Ca 0.41 -0.30 -0.13 0.00 0.09 0.00 0.00 57.88 57.95 1s44 h LEU 20 Cb 0.60 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1s44 h LEU 20 CO -0.39 1.00 -0.45 -0.25 0.09 0.00 0.00 178.44 178.45 1s44 h TRP 21 N 0.61 0.49 -0.59 1.13 2.91 -0.51 -1.11 115.95 118.88 1s44 h TRP 21 Ca 0.07 -0.15 0.01 0.00 1.13 0.00 0.00 58.89 59.95 1s44 h TRP 21 Cb 0.82 -0.10 -0.03 0.00 -0.51 0.00 0.00 29.16 29.34 1s44 h TRP 21 CO 0.04 0.79 0.39 0.00 -1.03 0.00 0.00 178.44 178.63 1s44 h ALA 22 N 1.19 0.74 -0.12 2.65 0.00 -0.79 -1.22 119.26 121.72 1s44 h ALA 22 Ca 0.02 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 1s44 h ALA 22 Cb 0.92 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1s44 h ALA 22 CO 0.08 0.18 -0.53 0.93 0.00 0.00 0.00 179.25 179.91 1s44 h GLU 23 N 0.80 0.34 0.00 0.00 5.08 -0.88 -3.37 114.58 116.56 1s44 h GLU 23 Ca 0.21 -0.21 -0.24 0.00 -1.00 0.00 0.00 59.36 58.13 1s44 h GLU 23 Cb -0.09 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.13 1s44 h GLU 23 CO -0.05 0.79 -2.25 1.04 -1.00 0.00 0.00 179.01 177.54 1s44 n GLN 24 N -3.94 0.68 -0.36 2.33 6.02 -0.46 -4.39 117.38 117.27 1s44 n GLN 24 Ca -0.02 -0.08 0.03 0.00 -0.01 0.00 0.00 57.00 56.92 1s44 n GLN 24 Cb 0.57 -1.52 0.18 0.00 1.02 0.00 0.00 30.24 30.50 1s44 n GLN 24 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.06 177.20 1s44 h THR 25 N 0.00 1.04 0.00 5.09 2.02 -1.39 -0.91 112.91 118.75 1s44 h THR 25 Ca -0.36 -0.37 0.00 0.00 0.77 0.00 0.00 66.41 66.45 1s44 h THR 25 Cb 1.82 -0.15 0.00 0.00 -1.74 0.00 0.00 68.15 68.08 1s44 h THR 25 CO 0.02 0.20 0.00 -2.65 0.37 0.00 0.00 175.52 173.46 1s44 n PRO 26 N -4.56 0.24 -0.66 6.66 -0.02 -1.26 -3.39 135.00 132.00 1s44 n PRO 26 Ca 0.16 0.25 0.09 0.00 -2.02 0.00 0.00 63.50 61.97 1s44 n PRO 26 Cb 0.22 -1.80 0.36 0.00 -0.02 0.00 0.00 33.50 32.26 1s44 n PRO 26 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1s44 n ASN 27 N -2.22 4.91 -0.31 2.55 3.02 -0.36 -4.55 115.26 118.30 1s44 n ASN 27 Ca 0.05 -2.61 0.07 0.00 -0.03 0.00 0.00 54.58 52.06 1s44 n ASN 27 Cb 0.39 -0.59 0.23 0.00 -0.61 0.00 0.00 39.78 39.19 1s44 n ASN 27 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 1s44 h ARG 28 N 3.81 0.67 -0.91 3.52 2.47 -1.52 -0.18 114.38 122.23 1s44 h ARG 28 Ca 0.00 -0.04 0.14 0.00 -1.26 0.00 0.00 59.98 58.82 1s44 h ARG 28 Cb 1.57 -0.15 -0.09 0.00 -1.65 0.00 0.00 29.97 29.65 1s44 h ARG 28 CO 0.29 0.44 0.52 -2.95 0.56 0.00 0.00 179.97 178.84 1s44 h ASN 29 N 0.69 0.69 0.76 7.04 -1.07 -1.88 -2.14 115.58 119.66 1s44 h ASN 29 Ca 0.47 0.08 0.00 0.00 0.07 0.00 0.00 56.30 56.92 1s44 h ASN 29 Cb 0.63 -0.04 0.00 0.00 -2.07 0.00 0.00 38.32 36.83 1s44 h ASN 29 CO -0.34 0.31 0.00 -1.20 0.07 0.00 0.00 177.43 176.27 1s44 n SER 30 N -4.78 0.56 0.10 6.14 7.64 -0.09 -2.80 113.62 120.39 1s44 n SER 30 Ca 0.18 0.63 0.12 0.00 1.01 0.00 0.00 58.87 60.81 1s44 n SER 30 Cb 0.43 -0.75 0.12 0.00 -1.01 0.00 0.00 64.21 63.00 1s44 n SER 30 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 1s44 h TYR 31 N 0.00 0.00 -3.21 1.43 3.20 -1.28 -3.46 116.97 113.66 1s44 h TYR 31 Ca 0.00 0.00 -0.40 0.00 3.14 0.00 0.00 58.73 61.47 1s44 h TYR 31 Cb 0.38 0.00 0.21 0.00 1.54 0.00 0.00 36.73 38.86 1s44 h TYR 31 CO 0.00 0.00 -0.03 0.00 -1.64 0.00 0.00 178.16 176.49 1s44 s ALA 32 N -3.24 -0.40 0.00 1.82 0.00 -1.12 -4.88 121.76 113.95 1s44 s ALA 32 Ca 0.04 -0.66 0.00 0.00 0.00 0.00 0.00 51.96 51.35 1s44 s ALA 32 Cb 0.11 -3.01 0.00 0.00 0.00 0.00 0.00 23.12 20.22 1s44 s ALA 32 CO 0.73 -4.18 0.00 0.41 0.00 0.00 0.00 175.76 172.73 1s44 n GLY 33 N 0.72 -1.80 3.72 0.00 0.00 -0.51 -4.91 105.19 102.42 1s44 n GLY 33 Ca 0.10 -1.87 -0.38 0.00 0.00 0.00 0.00 46.02 43.87 1s44 n GLY 33 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s44 s VAL 34 N 0.00 5.15 -0.07 1.61 1.01 -1.26 -0.67 120.40 126.17 1s44 s VAL 34 Ca 0.00 1.05 0.02 0.00 0.00 0.00 0.00 61.98 63.06 1s44 s VAL 34 Cb 0.00 -3.86 0.01 0.00 0.00 0.00 0.00 36.38 32.53 1s44 s VAL 34 CO 0.00 0.32 -0.13 0.26 0.00 0.00 0.00 175.10 175.55 1s44 s TRP 35 N 0.61 1.56 -0.08 5.22 0.52 0.19 -4.68 118.94 122.28 1s44 s TRP 35 Ca 0.28 -0.59 -0.10 0.00 0.02 0.00 0.00 56.10 55.71 1s44 s TRP 35 Cb -0.16 -1.13 -0.05 0.00 -1.15 0.00 0.00 33.47 30.98 1s44 s TRP 35 CO 0.12 -0.30 0.25 0.71 0.02 0.00 0.00 176.95 177.75 1s44 s TYR 36 N 0.66 3.64 -0.52 -1.98 1.51 0.15 -0.22 117.35 120.59 1s44 s TYR 36 Ca -0.15 0.71 -0.26 0.00 -1.01 0.00 0.00 57.07 56.36 1s44 s TYR 36 Cb -0.16 -2.09 0.03 0.00 -0.11 0.00 0.00 41.96 39.64 1s44 s TYR 36 CO 0.04 0.68 0.99 -1.14 -1.11 0.00 0.00 175.55 175.01 1s44 s GLN 37 N -0.99 3.46 0.01 -0.62 0.74 -0.98 -0.14 119.66 121.14 1s44 s GLN 37 Ca 0.18 0.03 -0.19 0.00 0.05 0.00 0.00 55.36 55.44 1s44 s GLN 37 Cb -0.14 -3.99 -0.26 0.00 1.10 0.00 0.00 33.01 29.72 1s44 s GLN 37 CO 0.07 -1.41 1.07 0.35 -0.55 0.00 0.00 175.29 174.83 1s44 h PHE 38 N 9.25 0.73 -2.90 1.67 3.57 -1.08 -3.42 116.94 124.75 1s44 h PHE 38 Ca -0.25 -0.43 0.01 0.00 3.53 0.00 0.00 57.97 60.83 1s44 h PHE 38 Cb 1.07 -0.07 -0.12 0.00 2.79 0.00 0.00 35.95 39.63 1s44 h PHE 38 CO 0.92 1.27 0.25 0.00 -2.23 0.00 0.00 178.31 178.52 1s44 s ALA 39 N -3.04 -1.59 0.17 2.41 0.00 -1.04 -1.15 121.76 117.51 1s44 s ALA 39 Ca -0.12 0.46 -0.18 0.00 0.00 0.00 0.00 51.96 52.12 1s44 s ALA 39 Cb 0.04 0.83 0.04 0.00 0.00 0.00 0.00 23.12 24.02 1s44 s ALA 39 CO 0.86 -0.79 0.50 -0.48 0.00 0.00 0.00 175.76 175.84 1s44 s LEU 40 N -2.74 0.06 0.41 0.00 2.34 -0.71 -0.85 118.68 117.19 1s44 s LEU 40 Ca 0.03 -0.33 -0.12 0.00 0.06 0.00 0.00 54.13 53.77 1s44 s LEU 40 Cb -0.02 2.13 -0.07 0.00 -0.56 0.00 0.00 46.19 47.68 1s44 s LEU 40 CO -0.10 -0.97 0.79 0.42 -1.06 0.00 0.00 176.35 175.43 1s44 s THR 41 N -3.83 4.74 -0.36 5.48 -4.23 -0.70 -1.61 115.64 115.14 1s44 s THR 41 Ca 0.05 0.73 -0.44 0.00 -1.18 0.00 0.00 61.69 60.85 1s44 s THR 41 Cb -0.00 -3.72 -0.19 0.00 1.34 0.00 0.00 72.50 69.93 1s44 s THR 41 CO -0.08 -0.51 1.54 -3.20 -0.54 0.00 0.00 174.62 171.83 1s44 n ASN 42 N -1.24 1.27 -3.72 3.99 2.85 -1.26 -4.63 115.26 112.52 1s44 n ASN 42 Ca 0.03 1.16 -0.26 0.00 -0.11 0.00 0.00 54.58 55.40 1s44 n ASN 42 Cb 0.54 -0.95 -0.17 0.00 1.24 0.00 0.00 39.78 40.44 1s44 n ASN 42 CO 0.00 0.00 0.00 0.21 -2.11 0.00 0.00 177.26 175.36 1s44 s ASN 43 N 2.55 2.43 0.00 1.20 3.84 -1.26 -4.86 114.94 118.85 1s44 s ASN 43 Ca 1.01 -0.58 0.18 0.00 0.21 0.00 0.00 52.86 53.67 1s44 s ASN 43 Cb -1.36 -0.47 1.05 0.00 -0.55 0.00 0.00 41.25 39.91 1s44 s ASN 43 CO 0.74 -0.29 1.61 -0.81 -2.79 0.00 0.00 177.10 175.56 1s44 n PRO 44 N 5.13 0.90 -0.00 0.43 -0.04 -1.26 -3.62 135.00 136.54 1s44 n PRO 44 Ca -0.08 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.41 1s44 n PRO 44 Cb 0.48 -1.30 -0.04 0.00 -0.04 0.00 0.00 33.50 32.60 1s44 n PRO 44 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1s44 n TYR 45 N -0.80 0.00 -2.58 0.54 4.02 -1.26 -4.91 117.16 112.17 1s44 n TYR 45 Ca 0.13 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.59 1s44 n TYR 45 Cb 0.06 -0.03 -0.02 0.00 -0.02 0.00 0.00 39.34 39.33 1s44 n TYR 45 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 176.86 174.71 1s44 s GLN 46 N -1.73 3.77 0.37 -0.72 2.00 -1.24 -4.90 119.66 117.21 1s44 s GLN 46 Ca 0.01 0.71 0.24 0.00 -2.00 0.00 0.00 55.36 54.32 1s44 s GLN 46 Cb 0.04 -3.89 0.44 0.00 0.80 0.00 0.00 33.01 30.40 1s44 s GLN 46 CO 0.25 -1.32 1.62 -0.07 -0.50 0.00 0.00 175.29 175.28 1s44 h LEU 47 N 11.13 0.00 -8.47 3.68 3.38 -1.92 -3.42 115.31 119.69 1s44 h LEU 47 Ca -0.23 -0.00 -0.70 0.00 0.09 0.00 0.00 57.88 57.04 1s44 h LEU 47 Cb 1.07 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 41.62 1s44 h LEU 47 CO 1.11 0.00 -0.17 -0.63 0.09 0.00 0.00 178.44 178.84 1s44 s ILE 48 N -3.19 5.06 -0.00 1.22 1.01 -1.26 -3.70 121.20 120.33 1s44 s ILE 48 Ca 0.08 -0.48 -0.20 0.00 0.00 0.00 0.00 60.65 60.04 1s44 s ILE 48 Cb 0.07 -4.11 -0.25 0.00 0.01 0.00 0.00 42.46 38.18 1s44 s ILE 48 CO 0.66 -0.53 1.07 -0.08 0.00 0.00 0.00 174.94 176.05 1s44 h GLU 49 N 8.79 0.40 -5.01 2.79 4.81 -1.25 -3.47 114.58 121.64 1s44 h GLU 49 Ca -0.27 -0.46 -0.32 0.00 -0.13 0.00 0.00 59.36 58.18 1s44 h GLU 49 Cb 1.11 0.14 -0.16 0.00 0.63 0.00 0.00 28.75 30.46 1s44 h GLU 49 CO 0.85 1.13 -0.72 0.15 -0.73 0.00 0.00 179.01 179.68 1s44 s LYS 50 N -3.07 0.93 -1.48 1.92 1.02 -0.73 -4.54 119.74 113.79 1s44 s LYS 50 Ca -0.13 -1.28 -0.02 0.00 0.02 0.00 0.00 55.97 54.56 1s44 s LYS 50 Cb 0.03 -0.56 0.00 0.00 -0.52 0.00 0.00 37.83 36.78 1s44 s LYS 50 CO 0.83 0.08 0.29 0.00 -0.92 0.00 0.00 175.35 175.62 1s44 s VAL 52 N -3.02 3.60 -0.19 0.00 1.01 -1.26 -4.31 120.40 116.23 1s44 s VAL 52 Ca 0.14 0.72 -0.02 0.00 0.00 0.00 0.00 61.98 62.82 1s44 s VAL 52 Cb -0.06 -3.47 0.06 0.00 0.00 0.00 0.00 36.38 32.90 1s44 s VAL 52 CO 0.18 -0.07 0.00 -0.60 0.00 0.00 0.00 175.10 174.60 1s44 s ARG 53 N 4.07 0.97 -0.25 2.72 3.52 0.80 -2.33 118.95 128.45 1s44 s ARG 53 Ca 0.73 -0.53 -0.06 0.00 -0.13 0.00 0.00 55.73 55.74 1s44 s ARG 53 Cb -0.33 -2.14 -0.01 0.00 -1.56 0.00 0.00 34.95 30.91 1s44 s ARG 53 CO 0.29 -0.58 0.03 -0.80 -0.81 0.00 0.00 175.30 173.43 1s44 s ASN 54 N 1.73 4.82 -0.26 -2.12 0.01 0.69 -0.29 114.94 119.52 1s44 s ASN 54 Ca -0.01 -0.41 -0.06 0.00 -0.71 0.00 0.00 52.86 51.67 1s44 s ASN 54 Cb -0.17 -1.84 -0.01 0.00 0.41 0.00 0.00 41.25 39.64 1s44 s ASN 54 CO -0.07 -0.07 0.04 -0.70 -1.51 0.00 0.00 177.10 174.79 1s44 s GLU 55 N 1.53 3.38 -0.14 -0.60 2.12 0.16 -0.64 118.70 124.52 1s44 s GLU 55 Ca 0.05 -0.65 -0.04 0.00 0.36 0.00 0.00 54.97 54.69 1s44 s GLU 55 Cb -0.15 -3.24 -0.03 0.00 0.26 0.00 0.00 34.13 30.96 1s44 s GLU 55 CO 0.01 -0.28 0.02 0.71 -0.54 0.00 0.00 175.26 175.18 1s44 s TYR 56 N 1.53 3.19 -0.07 5.30 1.51 0.16 -0.55 117.35 128.42 1s44 s TYR 56 Ca 0.05 0.06 0.05 0.00 -1.01 0.00 0.00 57.07 56.21 1s44 s TYR 56 Cb -0.16 -1.93 -0.00 0.00 -0.11 0.00 0.00 41.96 39.76 1s44 s TYR 56 CO 0.01 0.26 -0.21 -1.54 -1.11 0.00 0.00 175.55 172.96 1s44 s SER 57 N -0.18 2.72 -0.15 2.29 1.04 -0.17 -1.42 113.70 117.83 1s44 s SER 57 Ca 0.06 -0.47 -0.06 0.00 0.48 0.00 0.00 55.95 55.96 1s44 s SER 57 Cb -0.12 -0.97 -0.04 0.00 0.10 0.00 0.00 66.02 64.98 1s44 s SER 57 CO 0.02 0.17 0.07 0.12 0.98 0.00 0.00 173.24 174.60 1s44 s PHE 58 N 0.15 3.33 -0.87 5.02 5.36 -1.26 -0.92 117.98 128.78 1s44 s PHE 58 Ca -0.10 0.23 0.10 0.00 -0.96 0.00 0.00 56.93 56.19 1s44 s PHE 58 Cb -0.15 -1.99 0.25 0.00 -0.34 0.00 0.00 43.02 40.80 1s44 s PHE 58 CO 0.05 0.38 1.18 -0.40 -1.46 0.00 0.00 175.22 174.97 1s44 n ASP 59 N 2.85 2.71 0.00 6.13 3.85 -0.25 -4.97 116.55 126.87 1s44 n ASP 59 Ca -0.18 -1.93 0.00 0.00 -0.71 0.00 0.00 54.79 51.97 1s44 n ASP 59 Cb 0.53 -0.18 0.00 0.00 -1.35 0.00 0.00 41.12 40.12 1s44 n ASP 59 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1s44 n GLY 60 N 0.42 2.84 0.07 6.12 0.00 -1.26 -4.78 105.19 108.60 1s44 n GLY 60 Ca 0.10 -0.60 -0.07 0.00 0.00 0.00 0.00 46.02 45.45 1s44 n GLY 60 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1s44 n LYS 61 N 0.00 1.72 -4.07 1.61 2.85 -1.26 -5.08 118.16 113.92 1s44 n LYS 61 Ca 0.00 0.01 -0.14 0.00 -1.05 0.00 0.00 58.31 57.13 1s44 n LYS 61 Cb 0.00 -1.33 -0.04 0.00 -0.65 0.00 0.00 35.03 33.01 1s44 n LYS 61 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 177.40 178.49 1s44 s GLN 62 N -2.31 1.88 -0.04 -1.58 -2.07 -1.26 -4.49 119.66 109.79 1s44 s GLN 62 Ca -0.08 -1.71 0.02 0.00 -1.82 0.00 0.00 55.36 51.77 1s44 s GLN 62 Cb 0.04 0.45 -0.03 0.00 -1.09 0.00 0.00 33.01 32.38 1s44 s GLN 62 CO 0.51 -0.78 -0.07 -0.06 -1.32 0.00 0.00 175.29 173.57 1s44 s PHE 63 N -3.13 2.90 -0.14 9.60 0.40 0.10 -1.09 117.98 126.63 1s44 s PHE 63 Ca 0.30 -0.01 -0.07 0.00 -0.60 0.00 0.00 56.93 56.55 1s44 s PHE 63 Cb -0.00 -1.66 -0.04 0.00 0.51 0.00 0.00 43.02 41.82 1s44 s PHE 63 CO 0.19 0.34 0.09 0.08 0.70 0.00 0.00 175.22 176.62 1s44 s VAL 64 N -0.88 5.06 0.01 -0.44 1.01 -0.09 -1.40 120.40 123.65 1s44 s VAL 64 Ca 0.14 0.05 0.08 0.00 0.00 0.00 0.00 61.98 62.25 1s44 s VAL 64 Cb -0.11 -3.23 -0.03 0.00 0.00 0.00 0.00 36.38 33.02 1s44 s VAL 64 CO 0.04 0.55 -0.24 -0.63 0.00 0.00 0.00 175.10 174.82 1s44 s ILE 65 N -0.41 2.31 -0.27 2.22 1.01 0.01 -1.00 121.20 125.08 1s44 s ILE 65 Ca 0.10 -1.18 0.03 0.00 0.00 0.00 0.00 60.65 59.60 1s44 s ILE 65 Cb -0.12 -1.88 0.07 0.00 0.01 0.00 0.00 42.46 40.54 1s44 s ILE 65 CO 0.02 0.47 -0.08 -0.54 0.00 0.00 0.00 174.94 174.80 1s44 s LYS 66 N -0.98 2.13 -0.18 2.79 1.02 0.29 -1.23 119.74 123.58 1s44 s LYS 66 Ca 0.11 -1.43 -0.08 0.00 0.02 0.00 0.00 55.97 54.59 1s44 s LYS 66 Cb -0.10 -2.95 -0.04 0.00 -0.52 0.00 0.00 37.83 34.22 1s44 s LYS 66 CO 0.01 -0.63 0.09 -1.12 -0.92 0.00 0.00 175.35 172.78 1s44 s SER 67 N 1.08 5.89 0.18 2.83 0.01 0.05 -0.67 113.70 123.07 1s44 s SER 67 Ca -0.06 0.17 0.01 0.00 1.31 0.00 0.00 55.95 57.39 1s44 s SER 67 Cb -0.20 -2.00 -0.05 0.00 0.21 0.00 0.00 66.02 63.98 1s44 s SER 67 CO -0.05 0.20 0.02 0.42 0.41 0.00 0.00 173.24 174.24 1s44 s THR 68 N 0.20 0.59 -4.81 1.44 -4.23 0.60 -0.39 115.64 109.04 1s44 s THR 68 Ca 0.06 -1.97 0.00 0.00 -1.18 0.00 0.00 61.69 58.60 1s44 s THR 68 Cb -0.12 -2.17 0.00 0.00 1.34 0.00 0.00 72.50 71.55 1s44 s THR 68 CO -0.00 -0.42 0.00 0.61 -0.54 0.00 0.00 174.62 174.27 1s44 n GLY 69 N -0.25 -0.50 3.57 3.99 0.00 -0.96 -0.14 105.19 110.90 1s44 n GLY 69 Ca -0.06 -1.01 -0.39 0.00 0.00 0.00 0.00 46.02 44.57 1s44 n GLY 69 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1s44 s ILE 70 N -3.27 5.25 1.16 -0.61 1.01 0.35 -1.26 121.20 123.83 1s44 s ILE 70 Ca 0.00 0.05 -0.15 0.00 0.00 0.00 0.00 60.65 60.55 1s44 s ILE 70 Cb 0.00 -3.55 0.27 0.00 0.01 0.00 0.00 42.46 39.19 1s44 s ILE 70 CO 0.00 0.19 1.05 0.00 0.00 0.00 0.00 174.94 176.17 1s44 s ALA 71 N 1.74 0.05 0.36 9.38 0.00 0.13 -0.87 121.76 132.54 1s44 s ALA 71 Ca 0.07 -0.45 0.33 0.00 0.00 0.00 0.00 51.96 51.90 1s44 s ALA 71 Cb -0.16 -3.10 1.62 0.00 0.00 0.00 0.00 23.12 21.47 1s44 s ALA 71 CO 0.10 -3.63 2.10 1.88 0.00 0.00 0.00 175.76 176.21 1s44 h TYR 72 N -2.53 0.00 -0.04 0.00 -1.99 -1.88 -0.37 116.97 110.16 1s44 h TYR 72 Ca -0.55 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.18 1s44 h TYR 72 Cb 1.33 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.06 1s44 h TYR 72 CO -0.59 0.06 0.00 -0.40 -0.00 0.00 0.00 178.16 177.24 1s44 n ASP 73 N -3.33 1.00 0.00 3.88 5.75 -1.26 -4.93 116.55 117.66 1s44 n ASP 73 Ca -0.01 -1.42 0.00 0.00 -0.01 0.00 0.00 54.79 53.35 1s44 n ASP 73 Cb 0.23 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.30 1s44 n ASP 73 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1s44 n GLY 74 N 1.08 0.63 3.91 6.12 0.00 -0.15 -5.05 105.19 111.73 1s44 n GLY 74 Ca 0.19 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.93 1s44 n GLY 74 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1s44 s ASN 75 N -2.82 6.40 0.51 1.61 0.01 -1.26 -4.77 114.94 114.62 1s44 s ASN 75 Ca 0.00 0.73 -0.23 0.00 -0.71 0.00 0.00 52.86 52.66 1s44 s ASN 75 Cb 0.00 -2.15 -0.06 0.00 0.41 0.00 0.00 41.25 39.45 1s44 s ASN 75 CO 0.00 -0.29 1.35 -0.76 -1.51 0.00 0.00 177.10 175.89 1s44 s LEU 76 N -3.91 3.94 -0.11 0.60 2.01 -1.26 0.19 118.68 120.15 1s44 s LEU 76 Ca 0.44 2.74 -0.08 0.00 0.01 0.00 0.00 54.13 57.24 1s44 s LEU 76 Cb -0.10 -4.18 0.03 0.00 0.01 0.00 0.00 46.19 41.95 1s44 s LEU 76 CO 0.33 -1.38 0.27 -0.22 1.01 0.00 0.00 176.35 176.37 1s44 s LEU 77 N -3.24 0.76 -0.10 1.79 2.96 -0.39 -4.78 118.68 115.69 1s44 s LEU 77 Ca 0.68 0.56 0.02 0.00 -0.22 0.00 0.00 54.13 55.17 1s44 s LEU 77 Cb -0.40 0.91 -0.02 0.00 0.50 0.00 0.00 46.19 47.19 1s44 s LEU 77 CO 0.48 -0.12 -0.14 -0.75 -1.32 0.00 0.00 176.35 174.50 1s44 s LYS 78 N 0.49 3.01 -0.05 1.98 2.20 -1.26 -2.26 119.74 123.85 1s44 s LYS 78 Ca -0.03 -0.70 0.03 0.00 -0.36 0.00 0.00 55.97 54.91 1s44 s LYS 78 Cb -0.04 -2.51 0.00 0.00 -1.51 0.00 0.00 37.83 33.77 1s44 s LYS 78 CO -0.03 0.38 -0.14 1.03 -0.36 0.00 0.00 175.35 176.23 1s44 s ARG 79 N -0.09 1.63 -0.21 4.03 1.81 0.47 -4.99 118.95 121.60 1s44 s ARG 79 Ca -0.02 -0.49 -0.19 0.00 -1.72 0.00 0.00 55.73 53.31 1s44 s ARG 79 Cb -0.14 -1.39 -0.03 0.00 -0.45 0.00 0.00 34.95 32.94 1s44 s ARG 79 CO 0.04 0.14 0.56 -0.80 -0.68 0.00 0.00 175.30 174.56 1s44 s ASN 80 N 0.30 6.59 0.30 0.23 0.01 -1.26 -0.77 114.94 120.34 1s44 s ASN 80 Ca -0.08 0.72 0.06 0.00 -0.71 0.00 0.00 52.86 52.85 1s44 s ASN 80 Cb -0.13 -2.31 -0.06 0.00 0.41 0.00 0.00 41.25 39.16 1s44 s ASN 80 CO 0.03 -0.23 -0.03 -0.83 -1.51 0.00 0.00 177.10 174.53 1s44 s GLY 81 N 1.22 1.93 0.05 0.66 0.00 -0.37 -1.52 107.32 109.30 1s44 s GLY 81 Ca 0.25 -1.97 0.01 0.00 0.00 0.00 0.00 44.72 43.02 1s44 s GLY 81 CO 0.10 -1.86 -0.05 0.54 0.00 0.00 0.00 173.10 171.83 1s44 s LYS 82 N -3.76 0.52 -0.18 2.90 1.02 0.70 -0.80 119.74 120.14 1s44 s LYS 82 Ca 0.31 -0.87 -0.04 0.00 0.02 0.00 0.00 55.97 55.39 1s44 s LYS 82 Cb 0.05 -0.07 0.07 0.00 -0.52 0.00 0.00 37.83 37.36 1s44 s LYS 82 CO 0.13 -0.02 0.15 -1.17 -0.92 0.00 0.00 175.35 173.53 1s44 s LEU 83 N -1.98 0.11 0.05 3.17 2.96 -0.50 -0.59 118.68 121.91 1s44 s LEU 83 Ca -0.06 -0.38 -0.03 0.00 -0.22 0.00 0.00 54.13 53.45 1s44 s LEU 83 Cb -0.05 0.07 -0.03 0.00 0.50 0.00 0.00 46.19 46.68 1s44 s LEU 83 CO -0.02 -0.33 0.02 -0.72 -1.32 0.00 0.00 176.35 173.97 1s44 s TYR 84 N 2.23 0.40 0.43 5.38 -0.85 -0.85 0.00 117.35 124.10 1s44 s TYR 84 Ca 0.04 -0.88 -0.26 0.00 -0.52 0.00 0.00 57.07 55.46 1s44 s TYR 84 Cb -0.16 -0.29 -0.09 0.00 0.38 0.00 0.00 41.96 41.80 1s44 s TYR 84 CO -0.10 -0.39 1.45 -2.14 -1.52 0.00 0.00 175.55 172.85 1s44 s PRO 85 N -3.55 3.79 0.10 -3.49 0.02 -1.26 -0.15 135.00 130.45 1s44 s PRO 85 Ca 0.03 2.49 -0.35 0.00 0.02 0.00 0.00 61.00 63.19 1s44 s PRO 85 Cb 0.05 -2.74 -0.15 0.00 0.02 0.00 0.00 34.50 31.68 1s44 s PRO 85 CO -0.09 -0.76 1.54 -1.71 -0.33 0.00 0.00 177.00 175.65 1s44 n ASN 86 N -0.03 2.67 0.29 2.53 2.85 -0.62 -4.65 115.26 118.31 1s44 n ASN 86 Ca 0.04 1.08 0.14 0.00 -0.11 0.00 0.00 54.58 55.74 1s44 n ASN 86 Cb 0.41 -1.34 0.88 0.00 1.24 0.00 0.00 39.78 40.96 1s44 n ASN 86 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1s44 h PRO 87 N 5.84 0.00 -0.03 1.20 0.11 -1.91 -1.46 132.00 135.75 1s44 h PRO 87 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1s44 h PRO 87 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1s44 h PRO 87 CO 0.86 0.02 0.00 1.19 -0.21 0.00 0.00 178.00 179.86 1s44 n PHE 88 N -3.85 0.04 -1.01 0.65 3.01 -1.26 -4.92 117.46 110.12 1s44 n PHE 88 Ca -0.03 -0.02 -0.00 0.00 1.01 0.00 0.00 57.45 58.41 1s44 n PHE 88 Cb 0.11 0.00 -0.00 0.00 -0.01 0.00 0.00 39.48 39.57 1s44 n PHE 88 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1s44 n GLY 89 N 0.81 0.42 3.78 1.37 0.00 -0.55 -5.04 105.19 105.98 1s44 n GLY 89 Ca 0.12 -0.84 -0.35 0.00 0.00 0.00 0.00 46.02 44.95 1s44 n GLY 89 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1s44 s GLU 90 N -1.58 3.59 -0.55 1.61 2.02 -1.26 -4.91 118.70 117.62 1s44 s GLU 90 Ca 0.00 1.52 -0.07 0.00 0.02 0.00 0.00 54.97 56.44 1s44 s GLU 90 Cb 0.00 -2.09 -0.19 0.00 0.10 0.00 0.00 34.13 31.95 1s44 s GLU 90 CO 0.00 -0.63 3.23 -0.35 0.02 0.00 0.00 175.26 177.53 1s44 n PRO 91 N -1.06 2.46 -3.96 0.39 -0.04 -1.26 -4.37 135.00 127.15 1s44 n PRO 91 Ca 0.10 -1.35 -0.08 0.00 -0.04 0.00 0.00 63.50 62.12 1s44 n PRO 91 Cb 0.51 -2.25 -0.04 0.00 -0.04 0.00 0.00 33.50 31.68 1s44 n PRO 91 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 1s44 s HIS 92 N 1.55 0.21 0.29 0.54 -3.43 -1.26 -4.66 115.29 108.53 1s44 s HIS 92 Ca 0.64 -0.60 0.03 0.00 -0.80 0.00 0.00 55.06 54.33 1s44 s HIS 92 Cb 0.25 0.34 -0.03 0.00 -1.43 0.00 0.00 32.58 31.71 1s44 s HIS 92 CO -0.02 -1.06 0.46 -0.51 -2.00 0.00 0.00 174.74 171.60 1s44 s LEU 93 N -2.99 4.16 -0.17 5.38 1.43 -1.13 -1.58 118.68 123.78 1s44 s LEU 93 Ca 0.19 0.25 -0.05 0.00 -1.03 0.00 0.00 54.13 53.49 1s44 s LEU 93 Cb -0.02 -3.08 -0.03 0.00 0.03 0.00 0.00 46.19 43.09 1s44 s LEU 93 CO 0.08 -0.19 0.00 -0.44 0.23 0.00 0.00 176.35 176.04 1s44 s SER 94 N -4.01 5.09 -0.20 2.29 0.01 0.78 -0.48 113.70 117.17 1s44 s SER 94 Ca 0.37 -0.07 -0.08 0.00 1.31 0.00 0.00 55.95 57.48 1s44 s SER 94 Cb -0.09 -1.85 -0.04 0.00 0.21 0.00 0.00 66.02 64.25 1s44 s SER 94 CO 0.32 0.15 0.08 -0.51 0.41 0.00 0.00 173.24 173.70 1s44 s ILE 95 N 0.47 4.79 -0.06 1.44 1.10 0.23 -2.01 121.20 127.17 1s44 s ILE 95 Ca -0.01 -0.03 -0.00 0.00 -0.51 0.00 0.00 60.65 60.10 1s44 s ILE 95 Cb -0.14 -3.19 0.03 0.00 0.15 0.00 0.00 42.46 39.31 1s44 s ILE 95 CO 0.02 0.42 -0.01 -0.62 -2.11 0.00 0.00 174.94 172.64 1s44 s ASP 96 N 0.70 1.23 0.02 4.50 3.68 0.24 -1.08 116.67 125.96 1s44 s ASP 96 Ca 0.04 -0.09 0.08 0.00 2.13 0.00 0.00 52.55 54.72 1s44 s ASP 96 Cb -0.13 -0.41 -0.02 0.00 -1.45 0.00 0.00 42.92 40.91 1s44 s ASP 96 CO 0.02 -0.14 -0.25 -0.31 0.13 0.00 0.00 175.17 174.62 1s44 s TYR 97 N 1.54 2.21 0.27 -5.34 1.51 -1.19 -0.21 117.35 116.12 1s44 s TYR 97 Ca -0.02 -0.41 -0.30 0.00 -1.01 0.00 0.00 57.07 55.34 1s44 s TYR 97 Cb -0.13 -1.36 -0.14 0.00 -0.11 0.00 0.00 41.96 40.23 1s44 s TYR 97 CO -0.03 0.06 1.19 -1.91 -1.11 0.00 0.00 175.55 173.76 1s44 n GLU 98 N 2.03 1.65 -2.72 -0.62 2.13 -0.57 -2.12 120.64 120.41 1s44 n GLU 98 Ca -0.17 0.58 -0.21 0.00 0.66 0.00 0.00 57.16 58.03 1s44 n GLU 98 Cb 0.52 -2.09 0.02 0.00 0.27 0.00 0.00 31.44 30.15 1s44 n GLU 98 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1s44 n ASN 99 N 1.50 -5.80 0.00 4.31 5.03 -1.26 -4.91 115.26 114.14 1s44 n ASN 99 Ca 0.10 -0.17 0.00 0.00 0.87 0.00 0.00 54.58 55.38 1s44 n ASN 99 Cb 0.31 -4.70 0.00 0.00 -1.02 0.00 0.00 39.78 34.37 1s44 n ASN 99 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.26 175.19 1s44 n SER 100 N -2.06 0.00 -4.80 6.41 2.88 -0.90 -5.18 113.62 109.97 1s44 n SER 100 Ca -0.16 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.05 1s44 n SER 100 Cb 0.64 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 64.04 1s44 n SER 100 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 1s44 s PHE 101 N -1.34 1.76 -0.00 0.66 -0.71 -1.26 -4.81 117.98 112.28 1s44 s PHE 101 Ca 0.00 -0.97 0.07 0.00 -1.04 0.00 0.00 56.93 54.99 1s44 s PHE 101 Cb 0.00 -1.64 -0.03 0.00 -1.21 0.00 0.00 43.02 40.15 1s44 s PHE 101 CO 0.00 0.11 -0.20 0.00 -1.34 0.00 0.00 175.22 173.78 1s44 s ALA 102 N -2.88 2.44 0.08 1.99 0.00 -1.26 -3.16 121.76 118.97 1s44 s ALA 102 Ca 0.07 -1.12 0.01 0.00 0.00 0.00 0.00 51.96 50.92 1s44 s ALA 102 Cb 0.00 -0.71 -0.04 0.00 0.00 0.00 0.00 23.12 22.37 1s44 s ALA 102 CO 0.04 0.55 -0.06 0.00 0.00 0.00 0.00 175.76 176.29 1s44 s ALA 103 N -0.76 0.82 0.53 0.00 0.00 -0.24 -4.93 121.76 117.18 1s44 s ALA 103 Ca 0.12 -1.20 -0.21 0.00 0.00 0.00 0.00 51.96 50.67 1s44 s ALA 103 Cb -0.10 0.15 -0.05 0.00 0.00 0.00 0.00 23.12 23.11 1s44 s ALA 103 CO 0.02 -0.21 1.25 -1.25 0.00 0.00 0.00 175.76 175.57 1s44 s PRO 104 N -3.34 3.32 -0.22 0.00 0.04 -1.26 -0.60 135.00 132.93 1s44 s PRO 104 Ca 0.06 1.97 -0.04 0.00 0.04 0.00 0.00 61.00 63.03 1s44 s PRO 104 Cb 0.02 -2.23 0.09 0.00 0.04 0.00 0.00 34.50 32.42 1s44 s PRO 104 CO -0.04 -0.96 0.17 -1.17 0.04 0.00 0.00 177.00 175.04 1s44 s LEU 105 N -3.48 0.13 -0.17 -3.56 2.96 0.37 -4.28 118.68 110.66 1s44 s LEU 105 Ca 0.70 -0.62 -0.09 0.00 -0.22 0.00 0.00 54.13 53.91 1s44 s LEU 105 Cb -0.34 0.07 -0.05 0.00 0.50 0.00 0.00 46.19 46.38 1s44 s LEU 105 CO 0.39 -0.36 0.12 -0.69 -1.32 0.00 0.00 176.35 174.49 1s44 s VAL 106 N 2.23 5.37 -0.64 1.68 1.01 -0.04 -2.82 120.40 127.18 1s44 s VAL 106 Ca 0.06 0.17 -0.21 0.00 0.00 0.00 0.00 61.98 62.00 1s44 s VAL 106 Cb -0.16 -3.40 0.08 0.00 0.00 0.00 0.00 36.38 32.91 1s44 s VAL 106 CO -0.19 0.51 0.87 -0.63 0.00 0.00 0.00 175.10 175.66 1s44 s ILE 107 N -0.16 4.52 0.49 2.22 1.01 -1.26 -0.80 121.20 127.22 1s44 s ILE 107 Ca 0.10 -0.63 0.15 0.00 0.00 0.00 0.00 60.65 60.27 1s44 s ILE 107 Cb -0.11 -4.62 0.24 0.00 0.01 0.00 0.00 42.46 37.98 1s44 s ILE 107 CO 0.00 -1.34 2.10 -0.07 0.00 0.00 0.00 174.94 175.63 1s44 h LEU 108 N 10.81 0.05 -7.00 2.97 3.38 -1.33 -3.46 115.31 120.73 1s44 h LEU 108 Ca -0.28 -0.00 0.13 0.00 0.09 0.00 0.00 57.88 57.81 1s44 h LEU 108 Cb 1.08 -0.01 -0.29 0.00 0.09 0.00 0.00 40.66 41.52 1s44 h LEU 108 CO 1.15 0.09 0.66 -0.70 0.09 0.00 0.00 178.44 179.73 1s44 s GLU 109 N -4.99 0.30 -0.11 1.13 2.12 -1.22 -5.00 118.70 110.93 1s44 s GLU 109 Ca -0.05 0.33 -0.30 0.00 0.36 0.00 0.00 54.97 55.31 1s44 s GLU 109 Cb 0.17 0.15 0.07 0.00 0.26 0.00 0.00 34.13 34.78 1s44 s GLU 109 CO 0.68 -0.04 0.71 -0.08 -0.54 0.00 0.00 175.26 176.00 1s44 s THR 110 N 0.03 0.00 -1.32 -1.70 -1.32 -1.26 -0.48 115.64 109.59 1s44 s THR 110 Ca 0.05 0.00 0.13 0.00 -1.21 0.00 0.00 61.69 60.66 1s44 s THR 110 Cb -0.05 -1.00 0.24 0.00 -1.51 0.00 0.00 72.50 70.18 1s44 s THR 110 CO -0.10 0.00 1.12 -0.90 -2.21 0.00 0.00 174.62 172.53 1s44 n ASP 111 N 1.29 2.62 0.00 8.08 5.75 -1.08 -5.01 116.55 128.20 1s44 n ASP 111 Ca -0.17 -1.79 0.00 0.00 -0.01 0.00 0.00 54.79 52.82 1s44 n ASP 111 Cb 0.57 -0.15 0.00 0.00 -1.03 0.00 0.00 41.12 40.51 1s44 n ASP 111 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 1s44 n TYR 112 N 0.70 0.00 0.68 2.11 4.02 -1.25 -4.51 117.16 118.92 1s44 n TYR 112 Ca 0.11 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 58.10 1s44 n TYR 112 Cb 0.39 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 39.64 1s44 n TYR 112 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1s44 n SER 113 N 0.60 0.67 0.00 7.72 3.41 -1.26 -4.78 113.62 119.97 1s44 n SER 113 Ca 0.00 -0.55 0.00 0.00 -0.26 0.00 0.00 58.87 58.06 1s44 n SER 113 Cb 0.00 1.10 0.00 0.00 -0.26 0.00 0.00 64.21 65.05 1s44 n SER 113 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1s44 n ASN 114 N -1.77 0.57 -3.95 4.04 4.13 -1.26 -4.76 115.26 112.25 1s44 n ASN 114 Ca 0.02 0.00 -0.08 0.00 1.68 0.00 0.00 54.58 56.20 1s44 n ASN 114 Cb 0.41 0.00 -0.09 0.00 -1.54 0.00 0.00 39.78 38.56 1s44 n ASN 114 CO 0.00 0.00 0.00 -0.72 0.28 0.00 0.00 177.26 176.82 1s44 s TYR 115 N -1.67 0.30 -0.02 3.10 -0.85 -1.26 -0.98 117.35 115.97 1s44 s TYR 115 Ca 0.00 -0.76 -0.06 0.00 -0.52 0.00 0.00 57.07 55.73 1s44 s TYR 115 Cb 0.00 -0.20 0.01 0.00 0.38 0.00 0.00 41.96 42.15 1s44 s TYR 115 CO 0.00 -0.46 0.14 0.00 -1.52 0.00 0.00 175.55 173.71 1s44 s ALA 116 N -3.74 -0.35 -0.25 9.51 0.00 -0.70 -2.62 121.76 123.63 1s44 s ALA 116 Ca 0.05 0.10 0.02 0.00 0.00 0.00 0.00 51.96 52.13 1s44 s ALA 116 Cb 0.05 -0.05 0.05 0.00 0.00 0.00 0.00 23.12 23.18 1s44 s ALA 116 CO -0.10 -0.15 -0.12 0.00 0.00 0.00 0.00 175.76 175.39 1s44 s LEU 118 N 1.15 3.38 -0.08 0.00 1.43 -0.12 -0.81 118.68 123.63 1s44 s LEU 118 Ca -0.06 -0.13 -0.06 0.00 -1.03 0.00 0.00 54.13 52.85 1s44 s LEU 118 Cb -0.19 -2.03 0.03 0.00 0.03 0.00 0.00 46.19 44.04 1s44 s LEU 118 CO -0.06 0.23 0.21 -0.47 0.23 0.00 0.00 176.35 176.50 1s44 s TYR 119 N -1.16 -0.25 0.01 0.29 5.04 0.02 -1.28 117.35 120.02 1s44 s TYR 119 Ca 0.21 0.61 0.02 0.00 -2.44 0.00 0.00 57.07 55.48 1s44 s TYR 119 Cb -0.11 0.06 -0.01 0.00 0.35 0.00 0.00 41.96 42.24 1s44 s TYR 119 CO 0.13 -0.14 -0.08 0.45 -1.34 0.00 0.00 175.55 174.56 1s44 s SER 120 N 0.48 0.91 -0.01 4.32 0.15 -0.03 -0.86 113.70 118.67 1s44 s SER 120 Ca -0.03 -0.28 -0.04 0.00 0.70 0.00 0.00 55.95 56.30 1s44 s SER 120 Cb -0.04 -0.06 -0.00 0.00 -1.71 0.00 0.00 66.02 64.21 1s44 s SER 120 CO -0.02 -0.00 0.07 0.00 1.20 0.00 0.00 173.24 174.49 1s44 s ILE 122 N -0.87 0.46 0.03 0.00 1.09 0.02 -4.76 121.20 117.16 1s44 s ILE 122 Ca -0.10 -0.21 -0.15 0.00 -1.10 0.00 0.00 60.65 59.09 1s44 s ILE 122 Cb -0.06 -0.41 -0.06 0.00 -1.06 0.00 0.00 42.46 40.87 1s44 s ILE 122 CO 0.00 0.15 0.44 -1.81 -0.10 0.00 0.00 174.94 173.62 1s44 s ASP 123 N 0.08 6.85 0.24 3.58 1.01 -1.26 -0.91 116.67 126.26 1s44 s ASP 123 Ca -0.01 1.02 0.04 0.00 0.71 0.00 0.00 52.55 54.31 1s44 s ASP 123 Cb -0.05 -2.27 -0.03 0.00 1.01 0.00 0.00 42.92 41.58 1s44 s ASP 123 CO -0.00 0.30 0.38 -0.31 0.21 0.00 0.00 175.17 175.75 1s44 s TYR 124 N -1.12 3.46 -1.61 4.23 1.51 -0.37 -4.96 117.35 118.50 1s44 s TYR 124 Ca 0.26 0.08 0.23 0.00 -1.01 0.00 0.00 57.07 56.63 1s44 s TYR 124 Cb -0.17 -1.65 1.24 0.00 -0.11 0.00 0.00 41.96 41.26 1s44 s TYR 124 CO 0.15 0.39 1.76 0.27 -1.11 0.00 0.00 175.55 177.01 1s44 n ASN 125 N -1.32 0.00 -1.48 2.29 0.23 -1.26 -3.01 115.26 110.70 1s44 n ASN 125 Ca -0.08 -0.26 0.10 0.00 -0.53 0.00 0.00 54.58 53.81 1s44 n ASN 125 Cb 0.56 -0.20 0.34 0.00 -2.08 0.00 0.00 39.78 38.41 1s44 n ASN 125 CO 0.00 0.00 0.00 2.22 -0.93 0.00 0.00 177.26 178.55 1s44 n PHE 126 N -1.20 1.28 -0.23 -2.53 1.16 -1.26 -4.94 117.46 109.74 1s44 n PHE 126 Ca 0.13 -0.57 0.00 0.00 -1.87 0.00 0.00 57.45 55.14 1s44 n PHE 126 Cb 0.15 -0.15 0.00 0.00 -1.61 0.00 0.00 39.48 37.87 1s44 n PHE 126 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1s44 n GLY 127 N 1.30 0.80 3.86 4.97 0.00 -1.17 -5.02 105.19 109.94 1s44 n GLY 127 Ca 0.25 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.04 1s44 n GLY 127 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1s44 s TYR 128 N -2.15 2.27 0.06 1.61 4.12 -1.26 -1.29 117.35 120.73 1s44 s TYR 128 Ca 0.00 -0.64 -0.02 0.00 0.02 0.00 0.00 57.07 56.43 1s44 s TYR 128 Cb 0.00 -2.04 -0.04 0.00 -1.52 0.00 0.00 41.96 38.36 1s44 s TYR 128 CO 0.00 -0.21 0.00 -3.38 0.02 0.00 0.00 175.55 171.98 1s44 s HIS 129 N -2.61 0.52 -0.09 2.71 -3.43 0.18 -1.24 115.29 111.33 1s44 s HIS 129 Ca 0.42 -1.04 0.02 0.00 -0.80 0.00 0.00 55.06 53.67 1s44 s HIS 129 Cb -0.01 -0.36 -0.02 0.00 -1.43 0.00 0.00 32.58 30.75 1s44 s HIS 129 CO 0.25 -0.41 -0.16 -1.12 -2.00 0.00 0.00 174.74 171.30 1s44 s SER 130 N -2.93 3.86 0.22 7.38 0.01 -0.09 -0.35 113.70 121.79 1s44 s SER 130 Ca 0.09 -0.31 0.05 0.00 1.31 0.00 0.00 55.95 57.08 1s44 s SER 130 Cb 0.08 -1.23 -0.05 0.00 0.21 0.00 0.00 66.02 65.03 1s44 s SER 130 CO -0.09 0.24 -0.06 1.51 0.41 0.00 0.00 173.24 175.25 1s44 s ASP 131 N -0.11 2.15 -0.11 2.44 1.47 -1.22 -0.80 116.67 120.49 1s44 s ASP 131 Ca -0.02 -1.13 -0.04 0.00 1.18 0.00 0.00 52.55 52.54 1s44 s ASP 131 Cb -0.14 -0.06 0.06 0.00 -0.34 0.00 0.00 42.92 42.44 1s44 s ASP 131 CO 0.04 -0.37 0.19 -0.36 0.68 0.00 0.00 175.17 175.34 1s44 s PHE 132 N -3.23 -0.23 0.14 2.11 0.40 -0.28 -4.92 117.98 111.97 1s44 s PHE 132 Ca 0.25 0.60 0.10 0.00 -0.60 0.00 0.00 56.93 57.28 1s44 s PHE 132 Cb 0.03 -0.24 -0.04 0.00 0.51 0.00 0.00 43.02 43.28 1s44 s PHE 132 CO 0.07 -0.34 -0.24 -1.12 0.70 0.00 0.00 175.22 174.29 1s44 s SER 133 N 2.32 3.11 0.02 1.36 0.01 -1.26 -0.85 113.70 118.41 1s44 s SER 133 Ca 0.03 -0.78 0.01 0.00 1.31 0.00 0.00 55.95 56.53 1s44 s SER 133 Cb -0.13 -0.20 -0.02 0.00 0.21 0.00 0.00 66.02 65.88 1s44 s SER 133 CO -0.07 0.12 -0.05 -0.36 0.41 0.00 0.00 173.24 173.28 1s44 s PHE 134 N -1.35 0.43 -0.21 2.43 0.08 -0.41 -1.72 117.98 117.24 1s44 s PHE 134 Ca 0.14 -0.37 -0.03 0.00 0.12 0.00 0.00 56.93 56.79 1s44 s PHE 134 Cb -0.09 -0.27 -0.01 0.00 -0.57 0.00 0.00 43.02 42.08 1s44 s PHE 134 CO 0.07 -0.09 -0.07 0.42 -0.10 0.00 0.00 175.22 175.45 1s44 s ILE 135 N -1.00 3.22 -0.02 0.64 1.01 -0.03 -0.94 121.20 124.07 1s44 s ILE 135 Ca -0.08 -0.55 -0.02 0.00 0.00 0.00 0.00 60.65 60.00 1s44 s ILE 135 Cb -0.07 -2.45 -0.04 0.00 0.01 0.00 0.00 42.46 39.91 1s44 s ILE 135 CO -0.00 0.44 0.11 -0.36 0.00 0.00 0.00 174.94 175.13 1s44 s PHE 136 N 1.37 3.38 0.18 3.97 2.99 0.09 -0.44 117.98 129.51 1s44 s PHE 136 Ca 0.04 0.28 0.07 0.00 0.00 0.00 0.00 56.93 57.32 1s44 s PHE 136 Cb -0.14 -1.78 -0.04 0.00 0.00 0.00 0.00 43.02 41.05 1s44 s PHE 136 CO -0.04 0.59 -0.13 0.45 -0.00 0.00 0.00 175.22 176.09 1s44 s SER 137 N -1.68 2.30 0.00 1.36 0.15 0.80 -1.71 113.70 114.92 1s44 s SER 137 Ca 0.23 -0.98 0.28 0.00 0.70 0.00 0.00 55.95 56.18 1s44 s SER 137 Cb -0.12 -0.10 1.10 0.00 -1.71 0.00 0.00 66.02 65.19 1s44 s SER 137 CO 0.14 -0.20 1.83 0.54 1.20 0.00 0.00 173.24 176.75 1s44 n ARG 138 N -0.17 0.00 -4.53 5.44 5.12 -0.15 -0.67 116.66 121.70 1s44 n ARG 138 Ca -0.10 0.00 -0.25 0.00 -1.93 0.00 0.00 57.85 55.57 1s44 n ARG 138 Cb 0.60 -1.50 -0.09 0.00 -1.16 0.00 0.00 32.46 30.30 1s44 n ARG 138 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1s44 s SER 139 N -3.02 2.92 0.26 0.55 1.04 -1.26 -4.78 113.70 109.41 1s44 s SER 139 Ca 0.13 -1.51 0.01 0.00 0.48 0.00 0.00 55.95 55.07 1s44 s SER 139 Cb 0.19 0.15 0.35 0.00 0.10 0.00 0.00 66.02 66.81 1s44 s SER 139 CO 0.56 -0.73 1.69 0.00 0.98 0.00 0.00 173.24 175.74 1s44 h ALA 140 N 1.86 1.03 -0.90 5.32 0.00 -1.97 -3.43 119.26 121.17 1s44 h ALA 140 Ca -0.40 -0.37 -0.50 0.00 0.00 0.00 0.00 54.91 53.64 1s44 h ALA 140 Cb 1.26 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1s44 h ALA 140 CO 0.68 0.58 -0.20 -0.80 0.00 0.00 0.00 179.25 179.51 1s44 s ASN 141 N -6.81 5.06 -0.14 0.00 0.01 -1.26 -4.73 114.94 107.06 1s44 s ASN 141 Ca -0.07 -0.87 -0.07 0.00 -0.71 0.00 0.00 52.86 51.14 1s44 s ASN 141 Cb 0.13 0.10 0.06 0.00 0.41 0.00 0.00 41.25 41.95 1s44 s ASN 141 CO 0.80 -1.13 0.32 -0.22 -1.51 0.00 0.00 177.10 175.36 1s44 s LEU 142 N -4.47 0.00 0.50 0.60 2.96 -1.26 -4.77 118.68 112.24 1s44 s LEU 142 Ca 0.53 0.71 -0.23 0.00 -0.22 0.00 0.00 54.13 54.92 1s44 s LEU 142 Cb -0.05 1.01 -0.07 0.00 0.50 0.00 0.00 46.19 47.58 1s44 s LEU 142 CO 0.33 -0.19 1.39 0.00 -1.32 0.00 0.00 176.35 176.55 1s44 s ALA 143 N 1.65 3.03 0.29 5.97 0.00 -1.26 -4.80 121.76 126.64 1s44 s ALA 143 Ca -0.07 1.39 0.03 0.00 0.00 0.00 0.00 51.96 53.32 1s44 s ALA 143 Cb -0.10 -3.58 0.70 0.00 0.00 0.00 0.00 23.12 20.14 1s44 s ALA 143 CO -0.10 -1.27 1.73 0.22 0.00 0.00 0.00 175.76 176.33 1s44 h ASP 144 N 1.90 0.50 -0.40 0.00 -0.00 -2.00 0.47 116.42 116.88 1s44 h ASP 144 Ca -0.51 0.13 0.12 0.00 -0.00 0.00 0.00 57.03 56.76 1s44 h ASP 144 Cb 1.28 0.06 -0.02 0.00 -0.00 0.00 0.00 39.33 40.66 1s44 h ASP 144 CO 0.59 0.11 0.30 0.06 -0.00 0.00 0.00 179.24 180.30 1s44 h GLN 145 N 0.54 0.00 0.14 0.28 3.07 -1.99 0.21 115.11 117.35 1s44 h GLN 145 Ca 0.55 0.00 -0.33 0.00 0.09 0.00 0.00 58.65 58.95 1s44 h GLN 145 Cb 0.95 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.50 1s44 h GLN 145 CO -0.45 0.00 -1.73 1.88 0.09 0.00 0.00 178.83 178.62 1s44 h TYR 146 N 0.00 0.52 -0.75 0.06 0.99 -1.28 -2.74 116.97 113.77 1s44 h TYR 146 Ca 0.19 -0.38 0.05 0.00 2.00 0.00 0.00 58.73 60.59 1s44 h TYR 146 Cb 0.78 -0.02 -0.05 0.00 1.00 0.00 0.00 36.73 38.43 1s44 h TYR 146 CO 0.00 1.55 0.45 0.28 -0.00 0.00 0.00 178.16 180.44 1s44 h VAL 147 N 0.08 1.04 0.00 -2.88 2.07 -0.89 -1.19 116.25 114.48 1s44 h VAL 147 Ca -0.32 -0.29 -0.07 0.00 0.82 0.00 0.00 66.70 66.83 1s44 h VAL 147 Cb 2.05 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.93 1s44 h VAL 147 CO 0.15 0.16 -0.34 0.11 0.02 0.00 0.00 177.57 177.66 1s44 h LYS 148 N 0.85 0.00 0.26 1.57 1.57 -0.61 -0.73 116.57 119.48 1s44 h LYS 148 Ca 0.32 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.09 1s44 h LYS 148 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.43 1s44 h LYS 148 CO -0.15 0.34 -0.12 0.87 -0.57 0.00 0.00 179.45 179.82 1s44 h LYS 149 N 0.00 -0.33 -0.57 3.15 1.57 -1.03 -1.45 116.57 117.91 1s44 h LYS 149 Ca -0.00 0.02 0.10 0.00 -1.87 0.00 0.00 60.65 58.90 1s44 h LYS 149 Cb 0.66 0.08 -0.08 0.00 0.08 0.00 0.00 32.23 32.97 1s44 h LYS 149 CO 0.04 -0.07 0.13 0.00 -0.57 0.00 0.00 179.45 178.98 1s44 h GLU 151 N 0.27 0.59 -0.79 0.00 5.08 -0.96 -0.71 114.58 118.06 1s44 h GLU 151 Ca 0.29 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.58 1s44 h GLU 151 Cb 0.42 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.50 1s44 h GLU 151 CO -0.37 0.39 0.32 0.00 -1.00 0.00 0.00 179.01 178.35 1s44 h ALA 152 N 1.33 1.08 -0.44 3.43 0.00 -0.80 -0.90 119.26 122.97 1s44 h ALA 152 Ca 0.28 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 1s44 h ALA 152 Cb 0.19 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1s44 h ALA 152 CO -0.19 0.66 -0.19 0.00 0.00 0.00 0.00 179.25 179.53 1s44 h ALA 153 N 1.21 0.84 -0.13 0.00 0.00 -0.43 0.41 119.26 121.15 1s44 h ALA 153 Ca 0.26 -0.37 -0.18 0.00 0.00 0.00 0.00 54.91 54.63 1s44 h ALA 153 Cb 0.20 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 17.83 1s44 h ALA 153 CO -0.02 0.64 -0.63 0.74 0.00 0.00 0.00 179.25 179.98 1s44 h PHE 154 N 0.76 0.89 -0.61 0.00 -1.00 -1.05 -3.08 116.94 112.85 1s44 h PHE 154 Ca 0.11 -0.39 -0.00 0.00 2.81 0.00 0.00 57.97 60.49 1s44 h PHE 154 Cb 0.72 -0.14 -0.03 0.00 3.61 0.00 0.00 35.95 40.11 1s44 h PHE 154 CO 0.04 1.20 0.36 0.87 -1.61 0.00 0.00 178.31 179.17 1s44 h LYS 155 N 0.33 0.82 -0.68 1.51 1.57 -1.01 -1.89 116.57 117.22 1s44 h LYS 155 Ca -0.04 -0.07 0.11 0.00 -1.87 0.00 0.00 60.65 58.78 1s44 h LYS 155 Cb 1.27 -0.17 -0.04 0.00 0.08 0.00 0.00 32.23 33.36 1s44 h LYS 155 CO 0.13 0.58 0.46 -0.97 -0.57 0.00 0.00 179.45 179.08 1s44 h ASN 156 N 0.84 0.43 -0.60 0.86 -1.24 -0.83 -0.06 115.58 114.98 1s44 h ASN 156 Ca 0.22 0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.24 1s44 h ASN 156 Cb -0.03 -0.07 0.00 0.00 0.73 0.00 0.00 38.32 38.95 1s44 h ASN 156 CO -0.04 0.25 0.00 2.30 -1.29 0.00 0.00 177.43 178.65 1s44 n ILE 157 N -4.48 2.46 -2.32 2.57 -5.35 -0.77 -4.97 119.36 106.49 1s44 n ILE 157 Ca 0.12 -1.32 -0.18 0.00 -0.27 0.00 0.00 62.75 61.09 1s44 n ILE 157 Cb 0.41 -0.15 -0.01 0.00 -1.74 0.00 0.00 39.64 38.15 1s44 n ILE 157 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1s44 n ASN 158 N 0.80 -5.28 -4.72 7.28 3.02 -0.04 -4.84 115.26 111.49 1s44 n ASN 158 Ca 0.27 -0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.41 1s44 n ASN 158 Cb 1.10 -4.35 -0.04 0.00 -0.61 0.00 0.00 39.78 35.88 1s44 n ASN 158 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1s44 s VAL 159 N -2.90 4.94 -0.45 2.41 1.01 -0.84 -4.99 120.40 119.58 1s44 s VAL 159 Ca 0.00 1.65 -0.29 0.00 0.00 0.00 0.00 61.98 63.34 1s44 s VAL 159 Cb 0.00 -4.13 0.02 0.00 0.00 0.00 0.00 36.38 32.27 1s44 s VAL 159 CO 0.00 0.25 1.28 -0.62 0.00 0.00 0.00 175.10 176.01 1s44 s ASP 160 N 0.69 6.47 0.24 3.32 -1.08 -1.26 -3.98 116.67 121.08 1s44 s ASP 160 Ca 0.42 0.65 0.24 0.00 -0.52 0.00 0.00 52.55 53.34 1s44 s ASP 160 Cb -0.19 -2.54 0.93 0.00 -1.46 0.00 0.00 42.92 39.66 1s44 s ASP 160 CO 0.22 -1.35 1.73 0.35 0.52 0.00 0.00 175.17 176.64 1s44 n THR 161 N 6.98 0.75 0.33 1.71 -2.24 -1.26 -1.84 114.28 118.71 1s44 n THR 161 Ca 0.14 0.08 0.09 0.00 -2.27 0.00 0.00 64.05 62.10 1s44 n THR 161 Cb 0.48 -0.99 0.42 0.00 -2.10 0.00 0.00 70.33 68.15 1s44 n THR 161 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1s44 n THR 162 N -2.25 1.03 0.48 4.28 -2.24 -1.26 -1.88 114.28 112.44 1s44 n THR 162 Ca 0.03 0.36 0.11 0.00 -2.27 0.00 0.00 64.05 62.29 1s44 n THR 162 Cb 0.29 -1.28 0.45 0.00 -2.10 0.00 0.00 70.33 67.69 1s44 n THR 162 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1s44 n ARG 163 N -2.01 0.16 -2.24 -0.78 1.74 -0.77 -4.82 116.66 107.94 1s44 n ARG 163 Ca 0.01 0.34 -0.41 0.00 -0.77 0.00 0.00 57.85 57.02 1s44 n ARG 163 Cb 0.15 -1.77 -0.03 0.00 -1.02 0.00 0.00 32.46 29.79 1s44 n ARG 163 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1s44 s PHE 164 N -3.21 3.25 -0.06 -1.55 0.08 -0.79 -4.21 117.98 111.50 1s44 s PHE 164 Ca 0.06 1.40 0.06 0.00 0.12 0.00 0.00 56.93 58.58 1s44 s PHE 164 Cb 0.10 -3.56 -0.01 0.00 -0.57 0.00 0.00 43.02 38.98 1s44 s PHE 164 CO 0.41 -1.57 -0.25 0.08 -0.10 0.00 0.00 175.22 173.80 1s44 s VAL 165 N -0.64 2.04 0.25 -0.44 1.01 -0.63 -4.95 120.40 117.04 1s44 s VAL 165 Ca 0.51 -1.06 -0.30 0.00 0.00 0.00 0.00 61.98 61.14 1s44 s VAL 165 Cb -0.37 -1.73 -0.09 0.00 0.00 0.00 0.00 36.38 34.19 1s44 s VAL 165 CO 0.44 0.57 1.18 -0.75 0.00 0.00 0.00 175.10 176.54 1s44 s LYS 166 N -0.14 4.52 0.02 2.72 2.20 -1.26 -1.73 119.74 126.07 1s44 s LYS 166 Ca -0.04 1.92 -0.13 0.00 -0.36 0.00 0.00 55.97 57.36 1s44 s LYS 166 Cb -0.14 -3.18 -0.06 0.00 -1.51 0.00 0.00 37.83 32.94 1s44 s LYS 166 CO 0.04 0.01 0.39 0.99 -0.36 0.00 0.00 175.35 176.42 1s44 s THR 167 N -0.71 5.08 0.11 3.43 2.01 -0.30 -4.95 115.64 120.31 1s44 s THR 167 Ca 0.49 0.68 -0.31 0.00 0.31 0.00 0.00 61.69 62.85 1s44 s THR 167 Cb -0.34 -3.67 -0.10 0.00 0.01 0.00 0.00 72.50 68.40 1s44 s THR 167 CO 0.42 0.48 1.75 -0.69 -0.69 0.00 0.00 174.62 175.89 1s44 s VAL 168 N -1.19 2.69 0.13 3.82 1.01 -1.26 -4.88 120.40 120.72 1s44 s VAL 168 Ca 0.26 0.22 -0.02 0.00 0.00 0.00 0.00 61.98 62.44 1s44 s VAL 168 Cb -0.15 -3.14 -0.04 0.00 0.00 0.00 0.00 36.38 33.05 1s44 s VAL 168 CO 0.14 0.00 0.07 -1.10 0.00 0.00 0.00 175.10 174.22 1s44 s GLN 169 N 2.58 0.92 0.00 2.72 -1.52 -1.26 0.03 119.66 123.13 1s44 s GLN 169 Ca 0.78 -1.39 0.00 0.00 -1.95 0.00 0.00 55.36 52.80 1s44 s GLN 169 Cb -0.44 0.25 0.00 0.00 -0.22 0.00 0.00 33.01 32.61 1s44 s GLN 169 CO 0.35 -0.26 0.00 0.41 -0.25 0.00 0.00 175.29 175.53 1s44 n GLY 170 N -0.09 0.20 0.25 3.09 0.00 -1.26 -4.69 105.19 102.69 1s44 n GLY 170 Ca -0.07 -2.05 0.08 0.00 0.00 0.00 0.00 46.02 43.99 1s44 n GLY 170 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1s44 h SER 171 N 0.00 0.00 0.45 1.61 4.64 -2.01 -1.39 113.55 116.86 1s44 h SER 171 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1s44 h SER 171 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1s44 h SER 171 CO 0.00 0.11 0.00 -1.54 -0.87 0.00 0.00 176.83 174.53 1s44 n SER 172 N -4.22 0.00 -4.79 4.97 3.41 -1.26 -4.84 113.62 106.89 1s44 n SER 172 Ca -0.03 0.09 -0.37 0.00 -0.26 0.00 0.00 58.87 58.30 1s44 n SER 172 Cb 0.18 -0.33 -0.06 0.00 -0.26 0.00 0.00 64.21 63.74 1s44 n SER 172 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1s44 n PRO 174 N 2.67 4.21 -0.16 0.00 -0.04 -1.26 -4.75 135.00 135.66 1s44 n PRO 174 Ca -0.13 -3.23 0.07 0.00 -0.04 0.00 0.00 63.50 60.17 1s44 n PRO 174 Cb 0.52 -2.74 0.37 0.00 -0.04 0.00 0.00 33.50 31.61 1s44 n PRO 174 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1s44 h TYR 175 N 4.93 0.72 -0.18 0.54 0.99 -1.95 -1.95 116.97 120.07 1s44 h TYR 175 Ca 0.67 0.02 -0.08 0.00 2.00 0.00 0.00 58.73 61.34 1s44 h TYR 175 Cb 0.37 -0.24 -0.01 0.00 1.00 0.00 0.00 36.73 37.85 1s44 h TYR 175 CO 1.59 0.39 -0.24 -0.44 -0.00 0.00 0.00 178.16 179.45 1s44 h ASP 176 N 0.72 0.32 -0.32 3.88 3.45 -2.01 -1.28 116.42 121.19 1s44 h ASP 176 Ca 0.30 -0.10 -0.16 0.00 0.43 0.00 0.00 57.03 57.50 1s44 h ASP 176 Cb 0.25 -0.09 -0.00 0.00 -0.56 0.00 0.00 39.33 38.93 1s44 h ASP 176 CO -0.10 0.57 -0.43 0.74 -1.57 0.00 0.00 179.24 178.46 1s44 h THR 177 N 0.29 1.28 -0.58 0.35 2.02 -1.80 -3.24 112.91 111.23 1s44 h THR 177 Ca 0.05 -1.61 0.07 0.00 0.77 0.00 0.00 66.41 65.68 1s44 h THR 177 Cb 0.59 1.55 -0.03 0.00 -1.74 0.00 0.00 68.15 68.51 1s44 h THR 177 CO 0.04 0.53 0.39 1.56 0.37 0.00 0.00 175.52 178.41 1s44 h GLN 178 N 0.64 0.51 0.00 6.66 4.20 -0.54 0.01 115.11 126.59 1s44 h GLN 178 Ca 0.04 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.72 1s44 h GLN 178 Cb 1.03 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.70 1s44 h GLN 178 CO 0.10 0.34 0.00 1.57 -0.67 0.00 0.00 178.83 180.17 1s44 h LYS 179 N 0.52 0.00 0.00 1.46 2.10 -1.39 -1.40 116.57 117.86 1s44 h LYS 179 Ca 0.26 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.91 1s44 h LYS 179 Cb 0.33 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.66 1s44 h LYS 179 CO -0.07 0.00 0.00 0.25 -2.00 0.00 0.00 179.45 177.63 1s44 n THR 180 N -2.81 0.41 0.00 0.07 -2.24 -0.01 -5.13 114.28 104.57 1s44 n THR 180 Ca 0.03 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 1s44 n THR 180 Cb 0.37 -0.65 0.00 0.00 -2.10 0.00 0.00 70.33 67.96 1s44 n THR 180 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02