#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s44 s ILE 3 N 0.00 1.37 0.61 0.58 -4.36 -1.26 -5.13 121.20 113.01 1s44 s ILE 3 Ca 0.00 -2.10 -0.19 0.00 -0.26 0.00 0.00 60.65 58.10 1s44 s ILE 3 Cb 0.00 -2.19 -0.03 0.00 1.25 0.00 0.00 42.46 41.50 1s44 s ILE 3 CO 0.00 -0.48 1.28 -2.84 0.24 0.00 0.00 174.94 173.15 1s44 s PRO 4 N -3.75 2.81 0.00 0.37 0.02 -1.26 -4.88 135.00 128.30 1s44 s PRO 4 Ca 0.25 2.04 0.17 0.00 0.02 0.00 0.00 61.00 63.47 1s44 s PRO 4 Cb 0.03 -1.97 0.86 0.00 0.02 0.00 0.00 34.50 33.44 1s44 s PRO 4 CO 0.07 -1.39 1.47 0.27 -0.33 0.00 0.00 177.00 177.10 1s44 n ASN 5 N -1.60 0.00 -1.12 2.53 0.23 -1.26 -1.75 115.26 112.28 1s44 n ASN 5 Ca 0.14 -0.01 0.12 0.00 -0.53 0.00 0.00 54.58 54.29 1s44 n ASN 5 Cb 0.48 -0.25 0.20 0.00 -2.08 0.00 0.00 39.78 38.12 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 -1.25 0.40 -3.67 -2.53 1.16 -1.26 -4.76 117.46 105.55 1s44 n PHE 6 Ca 0.08 -0.20 -0.39 0.00 -1.87 0.00 0.00 57.45 55.07 1s44 n PHE 6 Cb 0.12 0.00 -0.12 0.00 -1.61 0.00 0.00 39.48 37.88 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 -1.60 4.16 -0.06 1.97 1.01 -0.72 -3.30 120.40 121.87 1s44 s VAL 7 Ca 0.37 -1.05 0.05 0.00 0.00 0.00 0.00 61.98 61.35 1s44 s VAL 7 Cb 0.22 -3.36 -0.01 0.00 0.00 0.00 0.00 36.38 33.23 1s44 s VAL 7 CO 0.32 -0.24 -0.22 -0.69 0.00 0.00 0.00 175.10 174.26 1s44 s VAL 8 N 1.47 1.86 0.59 2.92 1.01 0.35 -4.80 120.40 123.79 1s44 s VAL 8 Ca 0.00 -0.95 -0.20 0.00 0.00 0.00 0.00 61.98 60.83 1s44 s VAL 8 Cb -0.20 -1.58 -0.03 0.00 0.00 0.00 0.00 36.38 34.57 1s44 s VAL 8 CO 0.04 0.52 1.33 -2.65 0.00 0.00 0.00 175.10 174.35 1s44 n PRO 9 N 3.10 1.44 0.00 2.72 -0.02 -1.26 -0.91 135.00 140.07 1s44 n PRO 9 Ca -0.18 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 1s44 n PRO 9 Cb 0.52 -2.56 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 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 0.83 -2.34 3.93 -1.23 0.00 -0.23 -4.74 105.19 101.41 1s44 n GLY 10 Ca 0.13 -1.85 -0.27 0.00 0.00 0.00 0.00 46.02 44.03 1s44 n GLY 10 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1s44 s LYS 11 N -0.28 3.47 0.05 1.61 -2.85 -1.26 -2.23 119.74 118.25 1s44 s LYS 11 Ca 0.00 -0.48 -0.37 0.00 -1.00 0.00 0.00 55.97 54.12 1s44 s LYS 11 Cb 0.00 -2.93 -0.17 0.00 -2.06 0.00 0.00 37.83 32.67 1s44 s LYS 11 CO 0.00 0.49 1.39 0.00 0.10 0.00 0.00 175.35 177.33 1s44 s ALA 13 N 0.84 2.09 0.05 0.00 0.00 -1.26 -5.00 121.76 118.47 1s44 s ALA 13 Ca 0.86 0.03 -0.29 0.00 0.00 0.00 0.00 51.96 52.56 1s44 s ALA 13 Cb -0.96 -3.20 -0.05 0.00 0.00 0.00 0.00 23.12 18.92 1s44 s ALA 13 CO 0.49 -1.87 0.93 -1.12 0.00 0.00 0.00 175.76 174.19 1s44 s SER 14 N -3.57 7.38 -0.03 0.00 0.01 -1.26 -4.95 113.70 111.28 1s44 s SER 14 Ca 0.61 1.66 0.04 0.00 1.31 0.00 0.00 55.95 59.58 1s44 s SER 14 Cb -0.16 -2.56 0.06 0.00 0.21 0.00 0.00 66.02 63.58 1s44 s SER 14 CO 0.56 -0.13 0.96 1.33 0.41 0.00 0.00 173.24 176.36 1s44 n VAL 15 N 3.27 0.98 -3.46 3.43 0.24 -1.26 -4.98 118.33 116.56 1s44 n VAL 15 Ca 0.03 -1.07 -0.17 0.00 -2.04 0.00 0.00 64.34 61.09 1s44 n VAL 15 Cb 0.50 0.41 0.01 0.00 -1.47 0.00 0.00 33.84 33.29 1s44 n VAL 15 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1s44 n ASP 16 N -0.60 -6.09 0.04 -1.34 4.64 -1.26 -4.94 116.55 106.99 1s44 n ASP 16 Ca 0.04 -0.48 -0.04 0.00 -1.38 0.00 0.00 54.79 52.93 1s44 n ASP 16 Cb 0.40 -3.10 0.18 0.00 -1.04 0.00 0.00 41.12 37.56 1s44 n ASP 16 CO 0.00 0.00 0.00 0.03 -0.82 0.00 0.00 177.20 176.41 1s44 h ARG 17 N 0.41 0.41 -0.60 -0.67 3.08 -1.96 -3.09 114.38 111.96 1s44 h ARG 17 Ca -0.38 -0.19 -0.02 0.00 0.07 0.00 0.00 59.98 59.46 1s44 h ARG 17 Cb 1.25 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 31.26 1s44 h ARG 17 CO 0.32 0.73 0.30 -0.91 -1.07 0.00 0.00 179.97 179.33 1s44 h ASN 18 N 0.35 0.78 -0.24 7.04 2.35 -1.92 0.17 115.58 124.11 1s44 h ASN 18 Ca 0.04 -0.12 -0.02 0.00 -0.55 0.00 0.00 56.30 55.64 1s44 h ASN 18 Cb 0.81 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.97 1s44 h ASN 18 CO 0.07 0.69 0.07 0.50 -1.65 0.00 0.00 177.43 177.10 1s44 h LYS 19 N 0.82 0.38 -0.40 0.81 3.64 -1.95 -2.57 116.57 117.31 1s44 h LYS 19 Ca 0.21 -0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.48 1s44 h LYS 19 Cb 0.10 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 1s44 h LYS 19 CO -0.03 0.47 0.17 -0.07 -2.27 0.00 0.00 179.45 177.72 1s44 h LEU 20 N 0.22 0.53 -0.34 5.20 3.38 -1.41 -1.70 115.31 121.20 1s44 h LEU 20 Ca 0.08 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1s44 h LEU 20 Cb 0.25 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1s44 h LEU 20 CO -0.00 0.54 0.18 -0.25 0.09 0.00 0.00 178.44 179.00 1s44 h TRP 21 N 0.50 0.47 -0.66 1.13 2.91 -0.65 -0.49 115.95 119.16 1s44 h TRP 21 Ca 0.13 -0.01 -0.02 0.00 1.13 0.00 0.00 58.89 60.12 1s44 h TRP 21 Cb 0.16 -0.15 -0.03 0.00 -0.51 0.00 0.00 29.16 28.63 1s44 h TRP 21 CO -0.01 0.38 0.33 0.00 -1.03 0.00 0.00 178.44 178.11 1s44 h ALA 22 N 1.05 0.85 -0.30 2.65 0.00 -1.28 -0.54 119.26 121.68 1s44 h ALA 22 Ca 0.12 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1s44 h ALA 22 Cb 0.07 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1s44 h ALA 22 CO -0.02 0.40 -0.07 0.93 0.00 0.00 0.00 179.25 180.49 1s44 h GLU 23 N 0.91 0.49 0.00 0.00 5.08 -0.92 -3.33 114.58 116.81 1s44 h GLU 23 Ca 0.23 -0.12 -0.25 0.00 -1.00 0.00 0.00 59.36 58.22 1s44 h GLU 23 Cb 0.10 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.25 1s44 h GLU 23 CO -0.03 0.57 -1.55 1.96 -1.00 0.00 0.00 179.01 178.97 1s44 h GLN 24 N 0.46 0.00 -0.50 2.33 4.20 -0.82 -3.39 115.11 117.39 1s44 h GLN 24 Ca 0.09 0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.85 1s44 h GLN 24 Cb 0.42 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.17 1s44 h GLN 24 CO 0.02 0.47 0.33 1.79 -0.67 0.00 0.00 178.83 180.77 1s44 h THR 25 N 0.00 1.01 0.00 -0.54 1.35 -1.21 -2.18 112.91 111.34 1s44 h THR 25 Ca -0.23 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.46 1s44 h THR 25 Cb 1.86 0.47 0.00 0.00 -1.73 0.00 0.00 68.15 68.75 1s44 h THR 25 CO 0.07 0.09 0.00 -2.65 -0.25 0.00 0.00 175.52 172.78 1s44 n PRO 26 N -4.47 0.00 -0.63 4.72 -0.02 -1.26 -3.80 135.00 129.53 1s44 n PRO 26 Ca 0.06 0.02 0.02 0.00 -2.02 0.00 0.00 63.50 61.58 1s44 n PRO 26 Cb 0.20 -1.50 0.24 0.00 -0.02 0.00 0.00 33.50 32.41 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 -1.50 3.41 -0.33 2.55 3.02 -0.82 -4.70 115.26 116.88 1s44 n ASN 27 Ca 0.07 -3.33 0.02 0.00 -0.03 0.00 0.00 54.58 51.30 1s44 n ASN 27 Cb 0.33 -0.60 0.16 0.00 -0.61 0.00 0.00 39.78 39.05 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 1.50 1.01 -0.11 3.52 2.47 -1.65 -1.49 114.38 119.63 1s44 h ARG 28 Ca 0.12 -0.06 -0.05 0.00 -1.26 0.00 0.00 59.98 58.73 1s44 h ARG 28 Cb 1.63 -0.23 -0.01 0.00 -1.65 0.00 0.00 29.97 29.71 1s44 h ARG 28 CO 0.34 0.67 -0.16 -0.91 0.56 0.00 0.00 179.97 180.47 1s44 h ASN 29 N 1.04 0.17 0.96 7.04 4.21 -1.92 -1.45 115.58 125.65 1s44 h ASN 29 Ca 0.40 -0.04 0.00 0.00 1.21 0.00 0.00 56.30 57.87 1s44 h ASN 29 Cb 0.18 -0.05 0.00 0.00 -1.12 0.00 0.00 38.32 37.33 1s44 h ASN 29 CO -0.18 0.35 0.00 -1.20 -1.29 0.00 0.00 177.43 175.12 1s44 n SER 30 N -4.26 0.47 0.04 5.81 7.64 -0.57 -2.58 113.62 120.16 1s44 n SER 30 Ca -0.01 0.58 0.12 0.00 1.01 0.00 0.00 58.87 60.56 1s44 n SER 30 Cb 0.28 -0.69 0.12 0.00 -1.01 0.00 0.00 64.21 62.91 1s44 n SER 30 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1s44 n TYR 31 N -1.98 0.37 -1.06 1.43 9.36 -0.56 -4.79 117.16 119.93 1s44 n TYR 31 Ca 0.04 0.11 -0.28 0.00 3.32 0.00 0.00 57.90 61.08 1s44 n TYR 31 Cb 0.30 -0.51 0.20 0.00 -0.63 0.00 0.00 39.34 38.69 1s44 n TYR 31 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1s44 s ALA 32 N -3.16 0.63 0.00 2.98 0.00 -1.07 -4.90 121.76 116.25 1s44 s ALA 32 Ca 0.06 -0.38 0.00 0.00 0.00 0.00 0.00 51.96 51.64 1s44 s ALA 32 Cb 0.14 -3.12 0.00 0.00 0.00 0.00 0.00 23.12 20.14 1s44 s ALA 32 CO 0.75 -3.09 0.00 0.41 0.00 0.00 0.00 175.76 173.83 1s44 n GLY 33 N -0.78 -1.25 3.68 0.00 0.00 -0.22 -4.92 105.19 101.70 1s44 n GLY 33 Ca 0.05 -1.93 -0.35 0.00 0.00 0.00 0.00 46.02 43.79 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 4.96 -0.02 1.61 1.01 -1.26 -1.01 120.40 125.69 1s44 s VAL 34 Ca 0.00 0.03 0.05 0.00 0.00 0.00 0.00 61.98 62.05 1s44 s VAL 34 Cb 0.00 -3.23 -0.01 0.00 0.00 0.00 0.00 36.38 33.14 1s44 s VAL 34 CO 0.00 0.48 -0.16 0.26 0.00 0.00 0.00 175.10 175.68 1s44 s TRP 35 N 0.19 1.46 -0.13 5.22 0.52 -0.15 -4.66 118.94 121.39 1s44 s TRP 35 Ca 0.06 -0.32 -0.06 0.00 0.02 0.00 0.00 56.10 55.79 1s44 s TRP 35 Cb -0.12 -0.96 -0.04 0.00 -1.15 0.00 0.00 33.47 31.20 1s44 s TRP 35 CO -0.00 -0.07 0.08 0.71 0.02 0.00 0.00 176.95 177.69 1s44 s TYR 36 N -0.21 3.39 -0.47 -1.98 1.51 0.62 -0.25 117.35 119.95 1s44 s TYR 36 Ca 0.03 0.33 -0.28 0.00 -1.01 0.00 0.00 57.07 56.14 1s44 s TYR 36 Cb -0.08 -1.93 0.03 0.00 -0.11 0.00 0.00 41.96 39.87 1s44 s TYR 36 CO 0.00 0.52 1.07 -1.14 -1.11 0.00 0.00 175.55 174.89 1s44 s GLN 37 N -0.63 3.67 0.01 -0.62 0.74 -0.32 -0.79 119.66 121.72 1s44 s GLN 37 Ca 0.12 0.45 -0.19 0.00 0.05 0.00 0.00 55.36 55.78 1s44 s GLN 37 Cb -0.12 -3.91 -0.26 0.00 1.10 0.00 0.00 33.01 29.82 1s44 s GLN 37 CO 0.02 -1.32 1.06 0.35 -0.55 0.00 0.00 175.29 174.85 1s44 h PHE 38 N 9.16 0.70 -2.86 1.67 3.57 -0.75 -3.41 116.94 125.01 1s44 h PHE 38 Ca -0.23 -0.42 0.02 0.00 3.53 0.00 0.00 57.97 60.86 1s44 h PHE 38 Cb 1.06 -0.06 -0.12 0.00 2.79 0.00 0.00 35.95 39.62 1s44 h PHE 38 CO 0.94 1.27 0.27 0.00 -2.23 0.00 0.00 178.31 178.55 1s44 s ALA 39 N -2.99 -1.60 0.09 2.41 0.00 -1.08 -1.37 121.76 117.22 1s44 s ALA 39 Ca -0.12 0.49 -0.22 0.00 0.00 0.00 0.00 51.96 52.11 1s44 s ALA 39 Cb 0.03 0.80 0.06 0.00 0.00 0.00 0.00 23.12 24.01 1s44 s ALA 39 CO 0.85 -0.79 0.54 -0.48 0.00 0.00 0.00 175.76 175.88 1s44 s LEU 40 N -2.72 -0.21 0.40 0.00 2.34 -0.52 -0.65 118.68 117.32 1s44 s LEU 40 Ca 0.03 0.07 -0.14 0.00 0.06 0.00 0.00 54.13 54.15 1s44 s LEU 40 Cb -0.01 2.28 -0.08 0.00 -0.56 0.00 0.00 46.19 47.81 1s44 s LEU 40 CO -0.10 -0.82 0.81 0.42 -1.06 0.00 0.00 176.35 175.60 1s44 s THR 41 N -3.06 4.67 -0.41 5.48 -4.23 -0.69 -0.86 115.64 116.54 1s44 s THR 41 Ca -0.02 0.90 -0.44 0.00 -1.18 0.00 0.00 61.69 60.96 1s44 s THR 41 Cb -0.00 -3.68 -0.19 0.00 1.34 0.00 0.00 72.50 69.97 1s44 s THR 41 CO -0.07 -0.43 1.45 -3.20 -0.54 0.00 0.00 174.62 171.83 1s44 n ASN 42 N -1.01 1.00 -3.67 3.99 5.15 -1.26 -4.67 115.26 114.79 1s44 n ASN 42 Ca 0.04 1.12 -0.26 0.00 -0.60 0.00 0.00 54.58 54.88 1s44 n ASN 42 Cb 0.54 -0.84 -0.17 0.00 -0.53 0.00 0.00 39.78 38.78 1s44 n ASN 42 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1s44 s ASN 43 N 2.49 2.43 0.00 1.20 3.84 -1.26 -4.82 114.94 118.82 1s44 s ASN 43 Ca 0.98 -0.62 0.27 0.00 0.21 0.00 0.00 52.86 53.69 1s44 s ASN 43 Cb -1.39 -0.37 1.29 0.00 -0.55 0.00 0.00 41.25 40.23 1s44 s ASN 43 CO 0.75 -0.32 1.87 -0.81 -2.79 0.00 0.00 177.10 175.79 1s44 n PRO 44 N 5.19 1.35 -0.10 0.43 -0.04 -1.26 -3.78 135.00 136.80 1s44 n PRO 44 Ca -0.07 -0.52 -0.10 0.00 -0.04 0.00 0.00 63.50 62.77 1s44 n PRO 44 Cb 0.48 -1.44 -0.15 0.00 -0.04 0.00 0.00 33.50 32.35 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 -0.34 0.00 -1.96 0.54 4.02 -1.26 -4.94 117.16 113.22 1s44 n TYR 45 Ca 0.19 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.66 1s44 n TYR 45 Cb 0.23 -0.97 -0.03 0.00 -0.02 0.00 0.00 39.34 38.55 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 -2.47 3.60 0.19 -0.72 2.00 -1.25 -4.89 119.66 116.12 1s44 s GLN 46 Ca -0.10 1.76 0.26 0.00 -2.00 0.00 0.00 55.36 55.27 1s44 s GLN 46 Cb 0.06 -4.15 0.70 0.00 0.80 0.00 0.00 33.01 30.43 1s44 s GLN 46 CO 0.80 -1.54 1.67 1.28 -0.50 0.00 0.00 175.29 177.00 1s44 n LEU 47 N 9.36 0.78 -4.56 3.68 4.77 -1.26 -4.71 117.00 125.06 1s44 n LEU 47 Ca 0.22 0.49 -0.38 0.00 -0.03 0.00 0.00 56.01 56.31 1s44 n LEU 47 Cb 0.45 -0.29 -0.11 0.00 -2.33 0.00 0.00 43.42 41.14 1s44 n LEU 47 CO 0.66 -0.15 -0.17 -0.63 -1.33 0.00 0.00 177.39 175.77 1s44 s ILE 48 N -3.11 5.19 -0.19 -0.08 1.01 -1.26 -3.63 121.20 119.12 1s44 s ILE 48 Ca 0.10 0.04 -0.22 0.00 0.00 0.00 0.00 60.65 60.56 1s44 s ILE 48 Cb 0.13 -3.52 -0.20 0.00 0.01 0.00 0.00 42.46 38.88 1s44 s ILE 48 CO 0.63 0.20 0.31 -0.08 0.00 0.00 0.00 174.94 175.99 1s44 h GLU 49 N 8.38 0.00 -6.35 2.79 4.81 -1.36 -3.47 114.58 119.38 1s44 h GLU 49 Ca -0.34 0.00 -0.62 0.00 -0.13 0.00 0.00 59.36 58.26 1s44 h GLU 49 Cb 1.18 0.00 -0.16 0.00 0.63 0.00 0.00 28.75 30.40 1s44 h GLU 49 CO 0.57 0.95 -0.79 0.15 -0.73 0.00 0.00 179.01 179.16 1s44 s LYS 50 N -2.32 1.58 -1.32 1.92 1.02 -0.80 -4.58 119.74 115.24 1s44 s LYS 50 Ca -0.26 -1.65 -0.00 0.00 0.02 0.00 0.00 55.97 54.08 1s44 s LYS 50 Cb 0.04 -1.76 0.00 0.00 -0.52 0.00 0.00 37.83 35.59 1s44 s LYS 50 CO 0.59 0.35 0.04 0.00 -0.92 0.00 0.00 175.35 175.41 1s44 s VAL 52 N -2.80 3.74 -0.15 0.00 1.01 -1.26 -4.31 120.40 116.63 1s44 s VAL 52 Ca 0.02 0.88 -0.01 0.00 0.00 0.00 0.00 61.98 62.86 1s44 s VAL 52 Cb -0.01 -3.62 0.04 0.00 0.00 0.00 0.00 36.38 32.79 1s44 s VAL 52 CO 0.02 -0.14 -0.02 -0.60 0.00 0.00 0.00 175.10 174.36 1s44 s ARG 53 N 4.14 1.08 -0.23 2.72 3.52 -0.54 -1.17 118.95 128.46 1s44 s ARG 53 Ca 0.70 -0.37 -0.03 0.00 -0.13 0.00 0.00 55.73 55.90 1s44 s ARG 53 Cb -0.29 -1.82 0.01 0.00 -1.56 0.00 0.00 34.95 31.29 1s44 s ARG 53 CO 0.27 -0.46 -0.05 -0.80 -0.81 0.00 0.00 175.30 173.45 1s44 s ASN 54 N 1.76 4.27 -0.31 -2.12 0.01 0.65 -1.16 114.94 118.05 1s44 s ASN 54 Ca 0.01 -0.60 -0.11 0.00 -0.71 0.00 0.00 52.86 51.45 1s44 s ASN 54 Cb -0.15 -1.70 -0.02 0.00 0.41 0.00 0.00 41.25 39.78 1s44 s ASN 54 CO -0.07 -0.07 0.19 -0.70 -1.51 0.00 0.00 177.10 174.94 1s44 s GLU 55 N 1.42 3.56 -0.12 -0.60 2.12 0.51 -0.97 118.70 124.62 1s44 s GLU 55 Ca 0.04 -0.58 -0.05 0.00 0.36 0.00 0.00 54.97 54.74 1s44 s GLU 55 Cb -0.15 -3.67 -0.04 0.00 0.26 0.00 0.00 34.13 30.53 1s44 s GLU 55 CO -0.04 -0.36 0.07 0.71 -0.54 0.00 0.00 175.26 175.10 1s44 s TYR 56 N 1.69 3.34 -0.01 5.30 1.51 -0.18 -0.99 117.35 128.01 1s44 s TYR 56 Ca 0.06 0.29 0.06 0.00 -1.01 0.00 0.00 57.07 56.47 1s44 s TYR 56 Cb -0.17 -1.90 -0.02 0.00 -0.11 0.00 0.00 41.96 39.76 1s44 s TYR 56 CO 0.09 0.51 -0.18 0.45 -1.11 0.00 0.00 175.55 175.30 1s44 s SER 57 N -0.68 2.17 -0.08 2.29 0.15 0.28 -1.05 113.70 116.77 1s44 s SER 57 Ca 0.12 -0.35 0.02 0.00 0.70 0.00 0.00 55.95 56.44 1s44 s SER 57 Cb -0.12 -0.23 -0.02 0.00 -1.71 0.00 0.00 66.02 63.94 1s44 s SER 57 CO 0.02 0.22 -0.15 0.12 1.20 0.00 0.00 173.24 174.65 1s44 s PHE 58 N -0.47 2.72 -1.29 3.44 5.36 -1.26 -0.96 117.98 125.52 1s44 s PHE 58 Ca 0.07 -0.41 0.12 0.00 -0.96 0.00 0.00 56.93 55.75 1s44 s PHE 58 Cb -0.07 -1.71 0.25 0.00 -0.34 0.00 0.00 43.02 41.14 1s44 s PHE 58 CO -0.00 -0.02 1.13 -0.40 -1.46 0.00 0.00 175.22 174.47 1s44 n ASP 59 N 2.86 2.64 0.00 6.13 3.85 -0.74 -4.93 116.55 126.36 1s44 n ASP 59 Ca -0.18 -1.80 0.00 0.00 -0.71 0.00 0.00 54.79 52.10 1s44 n ASP 59 Cb 0.52 -0.15 0.00 0.00 -1.35 0.00 0.00 41.12 40.14 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 0.69 2.11 0.00 6.12 0.00 -1.26 -4.84 105.19 108.02 1s44 n GLY 60 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.64 3.29 -3.91 1.61 2.85 -1.26 -5.13 118.16 113.97 1s44 n LYS 61 Ca 0.00 0.00 -0.08 0.00 -1.05 0.00 0.00 58.31 57.18 1s44 n LYS 61 Cb 0.00 -0.72 -0.04 0.00 -0.65 0.00 0.00 35.03 33.62 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 -0.91 1.63 -0.09 -1.58 -2.07 -1.26 -4.59 119.66 110.79 1s44 s GLN 62 Ca 0.00 -1.09 -0.05 0.00 -1.82 0.00 0.00 55.36 52.40 1s44 s GLN 62 Cb 0.00 0.53 -0.04 0.00 -1.09 0.00 0.00 33.01 32.42 1s44 s GLN 62 CO 0.00 -0.71 0.11 -0.06 -1.32 0.00 0.00 175.29 173.31 1s44 s PHE 63 N -3.96 3.48 -0.20 9.60 0.08 0.03 -1.79 117.98 125.22 1s44 s PHE 63 Ca 0.16 0.41 -0.10 0.00 0.12 0.00 0.00 56.93 57.52 1s44 s PHE 63 Cb -0.03 -1.88 -0.05 0.00 -0.57 0.00 0.00 43.02 40.50 1s44 s PHE 63 CO 0.07 0.66 0.12 0.08 -0.10 0.00 0.00 175.22 176.05 1s44 s VAL 64 N -1.06 5.30 -0.04 -0.44 1.01 -0.13 -1.10 120.40 123.94 1s44 s VAL 64 Ca 0.17 0.15 0.07 0.00 0.00 0.00 0.00 61.98 62.37 1s44 s VAL 64 Cb -0.12 -3.42 -0.01 0.00 0.00 0.00 0.00 36.38 32.83 1s44 s VAL 64 CO 0.07 0.43 -0.25 -0.63 0.00 0.00 0.00 175.10 174.72 1s44 s ILE 65 N 0.46 1.99 -0.30 2.22 1.01 0.18 -0.56 121.20 126.20 1s44 s ILE 65 Ca 0.07 -1.05 0.00 0.00 0.00 0.00 0.00 60.65 59.68 1s44 s ILE 65 Cb -0.12 -1.67 0.06 0.00 0.01 0.00 0.00 42.46 40.74 1s44 s ILE 65 CO -0.01 0.56 -0.02 -0.54 0.00 0.00 0.00 174.94 174.93 1s44 s LYS 66 N -0.29 2.23 -0.20 2.79 1.02 -0.17 -0.91 119.74 124.21 1s44 s LYS 66 Ca 0.01 -1.40 -0.07 0.00 0.02 0.00 0.00 55.97 54.53 1s44 s LYS 66 Cb -0.12 -3.11 -0.03 0.00 -0.52 0.00 0.00 37.83 34.04 1s44 s LYS 66 CO 0.02 -0.67 0.05 -1.12 -0.92 0.00 0.00 175.35 172.71 1s44 s SER 67 N 1.21 5.27 0.20 2.83 0.01 -0.23 -0.36 113.70 122.63 1s44 s SER 67 Ca -0.04 -0.07 0.01 0.00 1.31 0.00 0.00 55.95 57.16 1s44 s SER 67 Cb -0.20 -1.91 -0.05 0.00 0.21 0.00 0.00 66.02 64.07 1s44 s SER 67 CO -0.03 0.09 0.04 0.42 0.41 0.00 0.00 173.24 174.17 1s44 s THR 68 N 0.84 0.59 -5.00 1.44 -4.23 -0.30 -0.49 115.64 108.49 1s44 s THR 68 Ca 0.03 -1.99 0.00 0.00 -1.18 0.00 0.00 61.69 58.55 1s44 s THR 68 Cb -0.14 -2.33 0.00 0.00 1.34 0.00 0.00 72.50 71.38 1s44 s THR 68 CO 0.02 -0.28 0.00 0.61 -0.54 0.00 0.00 174.62 174.43 1s44 n GLY 69 N -0.32 -0.37 3.59 3.99 0.00 -0.79 -1.46 105.19 109.82 1s44 n GLY 69 Ca -0.04 -1.11 -0.35 0.00 0.00 0.00 0.00 46.02 44.53 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 -3.23 4.69 0.92 -0.61 1.01 0.35 -1.60 121.20 122.74 1s44 s ILE 70 Ca 0.00 -0.06 -0.12 0.00 0.00 0.00 0.00 60.65 60.47 1s44 s ILE 70 Cb 0.00 -3.14 0.14 0.00 0.01 0.00 0.00 42.46 39.47 1s44 s ILE 70 CO 0.00 0.42 1.14 0.00 0.00 0.00 0.00 174.94 176.50 1s44 s ALA 71 N 0.74 1.73 0.55 9.38 0.00 0.68 -1.04 121.76 133.81 1s44 s ALA 71 Ca 0.04 -0.54 0.40 0.00 0.00 0.00 0.00 51.96 51.86 1s44 s ALA 71 Cb -0.13 -3.03 2.14 0.00 0.00 0.00 0.00 23.12 22.10 1s44 s ALA 71 CO 0.02 -2.33 2.28 1.88 0.00 0.00 0.00 175.76 177.61 1s44 h TYR 72 N -1.53 0.00 -0.01 0.00 -1.99 -1.87 -0.58 116.97 110.98 1s44 h TYR 72 Ca -0.50 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.23 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 0.22 0.01 -0.13 -0.40 -0.00 0.00 0.00 178.16 177.86 1s44 n ASP 73 N -3.20 1.02 0.00 3.88 5.75 -1.26 -4.92 116.55 117.82 1s44 n ASP 73 Ca -0.02 -1.03 0.00 0.00 -0.01 0.00 0.00 54.79 53.73 1s44 n ASP 73 Cb 0.12 0.05 0.00 0.00 -1.03 0.00 0.00 41.12 40.26 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 1.26 0.69 3.87 6.12 0.00 -0.23 -5.07 105.19 111.84 1s44 n GLY 74 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.70 6.59 0.56 1.61 0.01 -1.26 -4.76 114.94 115.00 1s44 s ASN 75 Ca 0.00 1.04 -0.21 0.00 -0.71 0.00 0.00 52.86 52.98 1s44 s ASN 75 Cb 0.00 -2.28 -0.04 0.00 0.41 0.00 0.00 41.25 39.34 1s44 s ASN 75 CO 0.00 -0.24 1.30 -0.76 -1.51 0.00 0.00 177.10 175.90 1s44 s LEU 76 N -3.34 3.79 -0.12 0.60 1.43 -1.26 -0.23 118.68 119.56 1s44 s LEU 76 Ca 0.50 2.63 -0.09 0.00 -1.03 0.00 0.00 54.13 56.13 1s44 s LEU 76 Cb -0.11 -4.38 0.03 0.00 0.03 0.00 0.00 46.19 41.77 1s44 s LEU 76 CO 0.25 -1.58 0.30 -0.22 0.23 0.00 0.00 176.35 175.33 1s44 s LEU 77 N -3.70 0.69 -0.07 1.79 2.96 -0.63 -4.81 118.68 114.92 1s44 s LEU 77 Ca 0.73 0.61 0.05 0.00 -0.22 0.00 0.00 54.13 55.31 1s44 s LEU 77 Cb -0.37 1.00 -0.00 0.00 0.50 0.00 0.00 46.19 47.32 1s44 s LEU 77 CO 0.43 -0.12 -0.23 -0.75 -1.32 0.00 0.00 176.35 174.35 1s44 s LYS 78 N 0.47 2.61 -0.07 1.98 2.20 -1.26 -1.89 119.74 123.78 1s44 s LYS 78 Ca -0.03 -0.83 0.05 0.00 -0.36 0.00 0.00 55.97 54.81 1s44 s LYS 78 Cb -0.04 -2.10 -0.00 0.00 -1.51 0.00 0.00 37.83 34.18 1s44 s LYS 78 CO -0.02 0.26 -0.23 1.03 -0.36 0.00 0.00 175.35 176.02 1s44 s ARG 79 N 0.13 2.57 -0.14 4.03 0.52 0.35 -4.99 118.95 121.44 1s44 s ARG 79 Ca -0.11 -0.83 -0.16 0.00 -0.52 0.00 0.00 55.73 54.11 1s44 s ARG 79 Cb -0.15 -2.08 -0.04 0.00 0.52 0.00 0.00 34.95 33.19 1s44 s ARG 79 CO 0.06 0.27 0.39 -0.80 0.02 0.00 0.00 175.30 175.24 1s44 s ASN 80 N 0.09 6.57 0.17 0.23 0.01 -1.26 -1.07 114.94 119.68 1s44 s ASN 80 Ca -0.10 0.67 0.01 0.00 -0.71 0.00 0.00 52.86 52.74 1s44 s ASN 80 Cb -0.15 -2.24 -0.05 0.00 0.41 0.00 0.00 41.25 39.23 1s44 s ASN 80 CO 0.05 0.05 0.02 -0.83 -1.51 0.00 0.00 177.10 174.88 1s44 s GLY 81 N 0.54 1.21 0.00 0.66 0.00 -0.08 -1.38 107.32 108.27 1s44 s GLY 81 Ca 0.22 -1.59 -0.04 0.00 0.00 0.00 0.00 44.72 43.31 1s44 s GLY 81 CO 0.07 -1.50 0.06 0.54 0.00 0.00 0.00 173.10 172.27 1s44 s LYS 82 N -3.95 0.35 -0.14 2.90 1.02 0.08 -0.65 119.74 119.35 1s44 s LYS 82 Ca 0.25 -0.39 -0.02 0.00 0.02 0.00 0.00 55.97 55.83 1s44 s LYS 82 Cb 0.06 0.14 0.04 0.00 -0.52 0.00 0.00 37.83 37.56 1s44 s LYS 82 CO 0.04 -0.07 0.01 -1.17 -0.92 0.00 0.00 175.35 173.24 1s44 s LEU 83 N -1.16 0.98 0.12 3.17 2.96 -0.25 -0.98 118.68 123.51 1s44 s LEU 83 Ca -0.13 -0.48 -0.03 0.00 -0.22 0.00 0.00 54.13 53.27 1s44 s LEU 83 Cb -0.07 -0.58 -0.03 0.00 0.50 0.00 0.00 46.19 46.01 1s44 s LEU 83 CO 0.00 -0.24 0.10 -0.72 -1.32 0.00 0.00 176.35 174.17 1s44 s TYR 84 N 1.87 0.65 0.38 5.38 -0.85 -0.54 -0.79 117.35 123.45 1s44 s TYR 84 Ca 0.02 -1.06 -0.28 0.00 -0.52 0.00 0.00 57.07 55.23 1s44 s TYR 84 Cb -0.15 -0.35 -0.11 0.00 0.38 0.00 0.00 41.96 41.74 1s44 s TYR 84 CO -0.07 -0.53 1.41 -2.30 -1.52 0.00 0.00 175.55 172.53 1s44 n PRO 85 N -0.08 2.42 -1.61 -3.49 -0.02 -1.26 0.27 135.00 131.23 1s44 n PRO 85 Ca -0.08 0.85 -0.51 0.00 -2.02 0.00 0.00 63.50 61.74 1s44 n PRO 85 Cb 0.63 -2.54 -0.06 0.00 -0.02 0.00 0.00 33.50 31.51 1s44 n PRO 85 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1s44 n ASN 86 N 0.48 1.99 0.12 2.55 2.85 -0.87 -4.61 115.26 117.77 1s44 n ASN 86 Ca 0.03 1.11 0.11 0.00 -0.11 0.00 0.00 54.58 55.72 1s44 n ASN 86 Cb 0.38 -1.24 0.48 0.00 1.24 0.00 0.00 39.78 40.64 1s44 n ASN 86 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 1s44 n PRO 87 N 2.87 0.16 0.00 1.20 -0.02 -1.26 -1.54 135.00 136.41 1s44 n PRO 87 Ca 0.18 0.45 0.12 0.00 -2.02 0.00 0.00 63.50 62.24 1s44 n PRO 87 Cb 0.21 -1.84 0.27 0.00 -0.02 0.00 0.00 33.50 32.12 1s44 n PRO 87 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1s44 n PHE 88 N -2.15 0.00 -0.59 6.00 3.01 -1.26 -4.94 117.46 117.53 1s44 n PHE 88 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.47 1s44 n PHE 88 Cb 0.18 -0.13 0.00 0.00 -0.01 0.00 0.00 39.48 39.51 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 1.40 0.71 3.77 1.37 0.00 -0.59 -5.05 105.19 106.80 1s44 n GLY 89 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.41 3.79 -0.90 1.61 2.02 -1.26 -4.87 118.70 118.68 1s44 s GLU 90 Ca 0.00 1.95 -0.07 0.00 0.02 0.00 0.00 54.97 56.87 1s44 s GLU 90 Cb 0.00 -2.54 -0.12 0.00 0.10 0.00 0.00 34.13 31.57 1s44 s GLU 90 CO 0.00 -0.57 2.78 -0.35 0.02 0.00 0.00 175.26 177.13 1s44 n PRO 91 N -0.27 2.59 -3.95 0.39 -0.04 -1.26 -4.40 135.00 128.06 1s44 n PRO 91 Ca 0.06 -1.54 -0.10 0.00 -0.04 0.00 0.00 63.50 61.87 1s44 n PRO 91 Cb 0.46 -2.41 -0.02 0.00 -0.04 0.00 0.00 33.50 31.49 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 2.23 0.41 0.29 0.54 -3.43 -1.26 -4.67 115.29 109.39 1s44 s HIS 92 Ca 0.57 -0.84 0.06 0.00 -0.80 0.00 0.00 55.06 54.06 1s44 s HIS 92 Cb 0.19 0.37 -0.02 0.00 -1.43 0.00 0.00 32.58 31.68 1s44 s HIS 92 CO -0.03 -1.23 0.34 -0.51 -2.00 0.00 0.00 174.74 171.31 1s44 s LEU 93 N -3.08 3.97 -0.19 5.38 1.43 -1.14 -2.06 118.68 122.98 1s44 s LEU 93 Ca 0.21 -0.19 -0.05 0.00 -1.03 0.00 0.00 54.13 53.07 1s44 s LEU 93 Cb -0.03 -2.59 -0.03 0.00 0.03 0.00 0.00 46.19 43.58 1s44 s LEU 93 CO 0.12 -0.22 0.00 -0.44 0.23 0.00 0.00 176.35 176.04 1s44 s SER 94 N -4.01 4.93 -0.19 2.29 0.01 0.14 -0.92 113.70 115.95 1s44 s SER 94 Ca 0.38 -0.16 -0.16 0.00 1.31 0.00 0.00 55.95 57.33 1s44 s SER 94 Cb -0.08 -1.84 -0.04 0.00 0.21 0.00 0.00 66.02 64.27 1s44 s SER 94 CO 0.28 0.09 0.40 -0.51 0.41 0.00 0.00 173.24 173.91 1s44 s ILE 95 N 0.84 5.20 -0.04 1.44 1.10 -0.11 -1.46 121.20 128.18 1s44 s ILE 95 Ca 0.01 0.72 0.03 0.00 -0.51 0.00 0.00 60.65 60.90 1s44 s ILE 95 Cb -0.14 -3.73 0.00 0.00 0.15 0.00 0.00 42.46 38.74 1s44 s ILE 95 CO 0.02 0.27 -0.12 -0.62 -2.11 0.00 0.00 174.94 172.38 1s44 s ASP 96 N 0.97 1.57 0.02 4.50 3.68 -0.16 -0.97 116.67 126.27 1s44 s ASP 96 Ca 0.20 -0.25 0.05 0.00 2.13 0.00 0.00 52.55 54.68 1s44 s ASP 96 Cb -0.15 -0.49 -0.02 0.00 -1.45 0.00 0.00 42.92 40.81 1s44 s ASP 96 CO 0.08 0.08 -0.16 -0.31 0.13 0.00 0.00 175.17 174.99 1s44 s TYR 97 N 0.26 1.43 0.29 -5.34 1.51 -1.23 -0.74 117.35 113.52 1s44 s TYR 97 Ca -0.06 -0.33 -0.30 0.00 -1.01 0.00 0.00 57.07 55.38 1s44 s TYR 97 Cb -0.11 -0.87 -0.13 0.00 -0.11 0.00 0.00 41.96 40.74 1s44 s TYR 97 CO 0.01 0.03 1.32 0.39 -1.11 0.00 0.00 175.55 176.20 1s44 n GLU 98 N 2.17 2.02 -2.56 -0.62 1.02 -0.48 -2.08 120.64 120.10 1s44 n GLU 98 Ca -0.17 0.71 -0.19 0.00 -0.02 0.00 0.00 57.16 57.50 1s44 n GLU 98 Cb 0.54 -2.31 0.01 0.00 -0.02 0.00 0.00 31.44 29.65 1s44 n GLU 98 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1s44 n ASN 99 N 1.48 -5.51 -0.39 1.62 3.02 -1.26 -4.88 115.26 109.34 1s44 n ASN 99 Ca 0.08 -0.10 0.00 0.00 -0.03 0.00 0.00 54.58 54.53 1s44 n ASN 99 Cb 0.33 -4.49 0.00 0.00 -0.61 0.00 0.00 39.78 35.02 1s44 n ASN 99 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1s44 n SER 100 N -1.75 0.00 -4.79 6.41 2.88 -0.89 -5.18 113.62 110.30 1s44 n SER 100 Ca -0.18 -0.39 -0.25 0.00 -1.33 0.00 0.00 58.87 56.73 1s44 n SER 100 Cb 0.65 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 64.12 1s44 n SER 100 CO 0.00 0.00 0.00 2.22 -1.23 0.00 0.00 175.04 176.03 1s44 n PHE 101 N 0.00 -0.86 -4.62 0.66 1.16 -1.26 -4.77 117.46 107.76 1s44 n PHE 101 Ca 0.00 -2.25 -0.30 0.00 -1.87 0.00 0.00 57.45 53.03 1s44 n PHE 101 Cb 0.00 -0.45 -0.13 0.00 -1.61 0.00 0.00 39.48 37.28 1s44 n PHE 101 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1s44 s ALA 102 N -2.76 2.46 0.04 1.98 0.00 -1.26 -3.52 121.76 118.70 1s44 s ALA 102 Ca 0.35 -1.30 -0.02 0.00 0.00 0.00 0.00 51.96 50.99 1s44 s ALA 102 Cb -0.03 -0.57 -0.02 0.00 0.00 0.00 0.00 23.12 22.50 1s44 s ALA 102 CO 0.22 0.56 0.01 0.00 0.00 0.00 0.00 175.76 176.55 1s44 s ALA 103 N -0.95 0.21 0.47 0.00 0.00 -0.15 -4.94 121.76 116.40 1s44 s ALA 103 Ca 0.14 -0.81 -0.23 0.00 0.00 0.00 0.00 51.96 51.05 1s44 s ALA 103 Cb -0.10 0.23 -0.07 0.00 0.00 0.00 0.00 23.12 23.18 1s44 s ALA 103 CO 0.05 -0.29 1.27 -1.25 0.00 0.00 0.00 175.76 175.55 1s44 s PRO 104 N -2.75 3.60 -0.06 0.00 0.04 -1.26 -0.93 135.00 133.64 1s44 s PRO 104 Ca -0.04 2.05 -0.02 0.00 0.04 0.00 0.00 61.00 63.03 1s44 s PRO 104 Cb -0.01 -2.46 0.04 0.00 0.04 0.00 0.00 34.50 32.12 1s44 s PRO 104 CO -0.06 -0.76 0.10 -1.17 0.04 0.00 0.00 177.00 175.16 1s44 s LEU 105 N -3.03 0.21 -0.11 -3.56 2.96 -0.10 -4.37 118.68 110.68 1s44 s LEU 105 Ca 0.64 0.20 -0.02 0.00 -0.22 0.00 0.00 54.13 54.73 1s44 s LEU 105 Cb -0.36 0.08 -0.03 0.00 0.50 0.00 0.00 46.19 46.38 1s44 s LEU 105 CO 0.44 -0.23 -0.01 -0.69 -1.32 0.00 0.00 176.35 174.54 1s44 s VAL 106 N 2.00 4.18 -0.62 1.68 1.01 -0.06 -2.90 120.40 125.70 1s44 s VAL 106 Ca 0.01 -0.28 -0.19 0.00 0.00 0.00 0.00 61.98 61.52 1s44 s VAL 106 Cb -0.12 -2.78 0.11 0.00 0.00 0.00 0.00 36.38 33.59 1s44 s VAL 106 CO -0.04 0.57 0.73 -0.63 0.00 0.00 0.00 175.10 175.73 1s44 s ILE 107 N -0.47 4.83 0.19 2.22 1.01 -1.26 -0.47 121.20 127.25 1s44 s ILE 107 Ca 0.08 -1.06 -0.07 0.00 0.00 0.00 0.00 60.65 59.60 1s44 s ILE 107 Cb -0.12 -4.51 0.03 0.00 0.01 0.00 0.00 42.46 37.87 1s44 s ILE 107 CO 0.02 -1.15 1.60 0.25 0.00 0.00 0.00 174.94 175.66 1s44 h LEU 108 N 9.95 0.92 -7.00 2.97 5.85 -0.92 -3.45 115.31 123.62 1s44 h LEU 108 Ca -0.26 -0.32 -0.04 0.00 0.84 0.00 0.00 57.88 58.10 1s44 h LEU 108 Cb 1.08 -0.25 -0.21 0.00 0.37 0.00 0.00 40.66 41.65 1s44 h LEU 108 CO 1.09 1.08 0.18 -0.70 -0.34 0.00 0.00 178.44 179.75 1s44 s GLU 109 N -4.70 0.88 -0.03 1.25 2.12 -1.14 -5.00 118.70 112.08 1s44 s GLU 109 Ca -0.10 0.72 -0.25 0.00 0.36 0.00 0.00 54.97 55.70 1s44 s GLU 109 Cb 0.13 0.42 0.05 0.00 0.26 0.00 0.00 34.13 35.00 1s44 s GLU 109 CO 0.85 -0.17 0.54 -0.08 -0.54 0.00 0.00 175.26 175.86 1s44 s THR 110 N -0.15 0.02 -1.62 -1.70 -1.32 -1.26 -0.21 115.64 109.40 1s44 s THR 110 Ca -0.03 -0.19 0.14 0.00 -1.21 0.00 0.00 61.69 60.41 1s44 s THR 110 Cb -0.03 -0.87 0.22 0.00 -1.51 0.00 0.00 72.50 70.31 1s44 s THR 110 CO 0.03 -0.10 1.10 -0.90 -2.21 0.00 0.00 174.62 172.54 1s44 n ASP 111 N 0.98 2.59 0.00 8.08 5.75 -1.09 -5.01 116.55 127.85 1s44 n ASP 111 Ca -0.20 -1.75 0.00 0.00 -0.01 0.00 0.00 54.79 52.83 1s44 n ASP 111 Cb 0.57 -0.11 0.00 0.00 -1.03 0.00 0.00 41.12 40.55 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 0.83 0.00 1.01 2.11 4.02 -1.25 -4.48 117.16 119.41 1s44 n TYR 112 Ca 0.11 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 58.11 1s44 n TYR 112 Cb 0.41 0.00 0.03 0.00 -0.02 0.00 0.00 39.34 39.76 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 1.49 0.96 0.00 7.72 3.41 -1.26 -4.75 113.62 121.20 1s44 n SER 113 Ca 0.00 -0.83 0.00 0.00 -0.26 0.00 0.00 58.87 57.78 1s44 n SER 113 Cb 0.00 0.68 0.00 0.00 -0.26 0.00 0.00 64.21 64.63 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 -1.30 0.08 -3.83 4.04 4.13 -1.26 -4.72 115.26 112.41 1s44 n ASN 114 Ca 0.05 0.00 -0.09 0.00 1.68 0.00 0.00 54.58 56.22 1s44 n ASN 114 Cb 0.35 0.00 -0.07 0.00 -1.54 0.00 0.00 39.78 38.52 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 -1.98 0.10 -0.07 3.10 -0.85 -1.26 -1.20 117.35 115.19 1s44 s TYR 115 Ca 0.00 -0.51 -0.06 0.00 -0.52 0.00 0.00 57.07 55.98 1s44 s TYR 115 Cb 0.00 -0.02 0.02 0.00 0.38 0.00 0.00 41.96 42.34 1s44 s TYR 115 CO 0.00 -0.56 0.19 0.00 -1.52 0.00 0.00 175.55 173.66 1s44 s ALA 116 N -3.80 -0.46 -0.26 9.51 0.00 -0.46 -2.67 121.76 123.62 1s44 s ALA 116 Ca 0.04 0.54 -0.03 0.00 0.00 0.00 0.00 51.96 52.52 1s44 s ALA 116 Cb 0.04 -0.32 0.02 0.00 0.00 0.00 0.00 23.12 22.87 1s44 s ALA 116 CO -0.11 -0.09 -0.04 0.00 0.00 0.00 0.00 175.76 175.52 1s44 s LEU 118 N 1.36 3.03 -0.06 0.00 1.43 -0.06 -0.19 118.68 124.19 1s44 s LEU 118 Ca 0.01 -0.33 -0.04 0.00 -1.03 0.00 0.00 54.13 52.74 1s44 s LEU 118 Cb -0.17 -1.80 0.02 0.00 0.03 0.00 0.00 46.19 44.28 1s44 s LEU 118 CO -0.03 0.21 0.14 -0.47 0.23 0.00 0.00 176.35 176.43 1s44 s TYR 119 N -1.13 -0.15 -0.04 0.29 5.04 0.38 -1.37 117.35 120.37 1s44 s TYR 119 Ca 0.20 0.41 0.03 0.00 -2.44 0.00 0.00 57.07 55.27 1s44 s TYR 119 Cb -0.11 -0.01 0.00 0.00 0.35 0.00 0.00 41.96 42.20 1s44 s TYR 119 CO 0.11 -0.11 -0.11 0.45 -1.34 0.00 0.00 175.55 174.55 1s44 s SER 120 N 0.56 1.44 -0.01 4.32 0.15 0.13 -0.88 113.70 119.40 1s44 s SER 120 Ca -0.04 -0.23 -0.04 0.00 0.70 0.00 0.00 55.95 56.34 1s44 s SER 120 Cb -0.06 -0.44 0.00 0.00 -1.71 0.00 0.00 66.02 63.81 1s44 s SER 120 CO -0.03 0.07 0.09 0.00 1.20 0.00 0.00 173.24 174.58 1s44 s ILE 122 N -0.80 0.53 -0.05 0.00 1.10 -0.17 -4.85 121.20 116.97 1s44 s ILE 122 Ca -0.09 -0.25 -0.16 0.00 -0.51 0.00 0.00 60.65 59.64 1s44 s ILE 122 Cb -0.05 -0.48 -0.05 0.00 0.15 0.00 0.00 42.46 42.03 1s44 s ILE 122 CO 0.00 0.17 0.44 -1.81 -2.11 0.00 0.00 174.94 171.64 1s44 s ASP 123 N 0.11 6.77 0.60 4.50 1.01 -1.26 -1.08 116.67 127.31 1s44 s ASP 123 Ca -0.01 0.91 0.02 0.00 0.71 0.00 0.00 52.55 54.18 1s44 s ASP 123 Cb -0.06 -2.27 0.07 0.00 1.01 0.00 0.00 42.92 41.67 1s44 s ASP 123 CO -0.00 0.18 0.83 -0.31 0.21 0.00 0.00 175.17 176.08 1s44 s TYR 124 N -0.35 2.30 -1.58 4.23 4.12 -0.23 -5.00 117.35 120.83 1s44 s TYR 124 Ca 0.25 -0.20 0.29 0.00 0.02 0.00 0.00 57.07 57.42 1s44 s TYR 124 Cb -0.16 -2.75 1.25 0.00 -1.52 0.00 0.00 41.96 38.79 1s44 s TYR 124 CO 0.12 -1.14 1.88 0.27 0.02 0.00 0.00 175.55 176.71 1s44 n ASN 125 N -2.45 0.38 -0.87 2.29 0.23 -1.26 -4.17 115.26 109.41 1s44 n ASN 125 Ca 0.11 -0.47 0.05 0.00 -0.53 0.00 0.00 54.58 53.74 1s44 n ASN 125 Cb 0.60 -0.11 0.23 0.00 -2.08 0.00 0.00 39.78 38.42 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 -1.04 0.87 -0.69 -2.53 1.16 -1.26 -4.97 117.46 109.01 1s44 n PHE 126 Ca 0.14 -1.09 0.00 0.00 -1.87 0.00 0.00 57.45 54.63 1s44 n PHE 126 Cb 0.27 -0.34 0.00 0.00 -1.61 0.00 0.00 39.48 37.80 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 -0.79 0.59 3.32 4.97 0.00 -1.26 -5.02 105.19 107.01 1s44 n GLY 127 Ca 0.24 -0.59 -0.17 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.00 1.54 0.17 1.61 2.02 -1.24 -1.07 117.35 118.38 1s44 s TYR 128 Ca 0.00 -0.91 0.05 0.00 -0.37 0.00 0.00 57.07 55.84 1s44 s TYR 128 Cb 0.00 -0.88 -0.05 0.00 -0.40 0.00 0.00 41.96 40.63 1s44 s TYR 128 CO 0.00 -0.03 -0.09 -3.38 -1.57 0.00 0.00 175.55 170.48 1s44 s HIS 129 N -3.41 1.41 -0.09 2.71 -3.43 -0.09 -1.07 115.29 111.32 1s44 s HIS 129 Ca 0.27 -0.75 0.04 0.00 -0.80 0.00 0.00 55.06 53.82 1s44 s HIS 129 Cb 0.05 -0.72 -0.00 0.00 -1.43 0.00 0.00 32.58 30.48 1s44 s HIS 129 CO 0.08 0.11 -0.24 -1.12 -2.00 0.00 0.00 174.74 171.58 1s44 s SER 130 N -3.22 3.02 0.14 7.38 0.01 -0.24 -0.50 113.70 120.29 1s44 s SER 130 Ca 0.20 -0.54 0.05 0.00 1.31 0.00 0.00 55.95 56.98 1s44 s SER 130 Cb 0.03 -1.26 -0.04 0.00 0.21 0.00 0.00 66.02 64.95 1s44 s SER 130 CO 0.03 0.17 -0.12 1.51 0.41 0.00 0.00 173.24 175.24 1s44 s ASP 131 N 0.25 1.94 -0.08 2.44 1.47 -1.21 -1.00 116.67 120.48 1s44 s ASP 131 Ca -0.16 -0.93 -0.03 0.00 1.18 0.00 0.00 52.55 52.61 1s44 s ASP 131 Cb -0.17 -0.05 0.04 0.00 -0.34 0.00 0.00 42.92 42.41 1s44 s ASP 131 CO 0.08 -0.24 0.12 -0.36 0.68 0.00 0.00 175.17 175.44 1s44 s PHE 132 N -2.83 -0.07 0.20 2.11 0.40 -0.17 -4.91 117.98 112.71 1s44 s PHE 132 Ca 0.14 0.40 0.11 0.00 -0.60 0.00 0.00 56.93 56.98 1s44 s PHE 132 Cb -0.01 -0.38 -0.04 0.00 0.51 0.00 0.00 43.02 43.10 1s44 s PHE 132 CO 0.02 -0.27 -0.22 -1.12 0.70 0.00 0.00 175.22 174.33 1s44 s SER 133 N 2.24 3.30 -0.10 1.36 0.01 -1.26 -0.70 113.70 118.54 1s44 s SER 133 Ca 0.04 -0.89 -0.13 0.00 1.31 0.00 0.00 55.95 56.28 1s44 s SER 133 Cb -0.12 -0.24 0.03 0.00 0.21 0.00 0.00 66.02 65.90 1s44 s SER 133 CO -0.05 0.07 0.33 -0.36 0.41 0.00 0.00 173.24 173.65 1s44 s PHE 134 N -1.89 -0.33 -0.21 2.43 0.08 -0.47 -1.71 117.98 115.89 1s44 s PHE 134 Ca 0.21 0.76 -0.04 0.00 0.12 0.00 0.00 56.93 57.98 1s44 s PHE 134 Cb -0.07 0.12 -0.01 0.00 -0.57 0.00 0.00 43.02 42.49 1s44 s PHE 134 CO 0.10 -0.23 -0.04 0.42 -0.10 0.00 0.00 175.22 175.37 1s44 s ILE 135 N -0.18 3.47 0.02 0.64 1.01 0.18 -0.89 121.20 125.46 1s44 s ILE 135 Ca -0.03 -0.47 0.04 0.00 0.00 0.00 0.00 60.65 60.19 1s44 s ILE 135 Cb -0.03 -2.57 -0.03 0.00 0.01 0.00 0.00 42.46 39.84 1s44 s ILE 135 CO 0.01 0.43 -0.08 -0.36 0.00 0.00 0.00 174.94 174.94 1s44 s PHE 136 N 1.28 2.83 0.07 3.97 2.99 -0.11 0.00 117.98 129.00 1s44 s PHE 136 Ca 0.03 -0.08 0.05 0.00 0.00 0.00 0.00 56.93 56.93 1s44 s PHE 136 Cb -0.14 -1.57 -0.03 0.00 0.00 0.00 0.00 43.02 41.28 1s44 s PHE 136 CO -0.01 0.36 -0.14 0.45 -0.00 0.00 0.00 175.22 175.87 1s44 s SER 137 N -1.53 1.71 0.00 1.36 0.15 0.03 -1.35 113.70 114.07 1s44 s SER 137 Ca 0.17 -0.60 0.21 0.00 0.70 0.00 0.00 55.95 56.44 1s44 s SER 137 Cb -0.11 -0.06 0.99 0.00 -1.71 0.00 0.00 66.02 65.12 1s44 s SER 137 CO 0.08 -0.05 1.69 0.54 1.20 0.00 0.00 173.24 176.69 1s44 n ARG 138 N 1.36 0.14 -4.43 5.44 5.12 -0.34 -0.28 116.66 123.66 1s44 n ARG 138 Ca -0.21 0.11 -0.23 0.00 -1.93 0.00 0.00 57.85 55.60 1s44 n ARG 138 Cb 0.54 -1.50 -0.08 0.00 -1.16 0.00 0.00 32.46 30.26 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 -2.81 2.32 0.18 0.55 1.04 -1.26 -4.83 113.70 108.88 1s44 s SER 139 Ca 0.15 -1.66 -0.00 0.00 0.48 0.00 0.00 55.95 54.91 1s44 s SER 139 Cb 0.14 0.48 0.05 0.00 0.10 0.00 0.00 66.02 66.80 1s44 s SER 139 CO 0.36 -0.94 1.43 0.00 0.98 0.00 0.00 173.24 175.06 1s44 h ALA 140 N 1.94 0.59 -1.36 5.32 0.00 -1.96 -3.43 119.26 120.37 1s44 h ALA 140 Ca -0.33 -0.63 -0.48 0.00 0.00 0.00 0.00 54.91 53.47 1s44 h ALA 140 Cb 1.26 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1s44 h ALA 140 CO 0.52 0.79 -0.31 -0.80 0.00 0.00 0.00 179.25 179.44 1s44 s ASN 141 N -6.97 5.20 -0.18 0.00 0.01 -1.26 -4.68 114.94 107.06 1s44 s ASN 141 Ca -0.05 -0.70 -0.07 0.00 -0.71 0.00 0.00 52.86 51.33 1s44 s ASN 141 Cb 0.10 -0.44 0.08 0.00 0.41 0.00 0.00 41.25 41.40 1s44 s ASN 141 CO 0.84 -0.78 0.39 -0.22 -1.51 0.00 0.00 177.10 175.82 1s44 s LEU 142 N -4.25 -0.44 0.48 0.60 2.96 -1.26 -4.82 118.68 111.94 1s44 s LEU 142 Ca 0.50 0.91 -0.23 0.00 -0.22 0.00 0.00 54.13 55.08 1s44 s LEU 142 Cb -0.05 1.25 -0.08 0.00 0.50 0.00 0.00 46.19 47.81 1s44 s LEU 142 CO 0.30 -0.22 1.24 0.00 -1.32 0.00 0.00 176.35 176.34 1s44 n ALA 143 N 5.08 1.15 -0.26 5.97 0.00 -1.26 -4.81 120.51 126.39 1s44 n ALA 143 Ca -0.12 0.19 0.22 0.00 0.00 0.00 0.00 53.44 53.73 1s44 n ALA 143 Cb 0.51 -2.26 0.55 0.00 0.00 0.00 0.00 19.45 18.25 1s44 n ALA 143 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1s44 h ASP 144 N 1.66 0.34 -0.90 0.00 3.58 -2.00 -0.49 116.42 118.61 1s44 h ASP 144 Ca -0.49 0.05 0.04 0.00 0.42 0.00 0.00 57.03 57.05 1s44 h ASP 144 Cb 1.31 -0.02 -0.06 0.00 1.72 0.00 0.00 39.33 42.29 1s44 h ASP 144 CO 0.58 0.11 0.58 0.06 -2.88 0.00 0.00 179.24 177.69 1s44 h GLN 145 N 0.33 1.07 0.17 0.28 3.07 -2.00 -0.82 115.11 117.21 1s44 h GLN 145 Ca 0.50 -0.06 -0.25 0.00 0.09 0.00 0.00 58.65 58.93 1s44 h GLN 145 Cb 1.38 -0.24 0.02 0.00 0.08 0.00 0.00 27.48 28.73 1s44 h GLN 145 CO -0.18 0.70 -1.11 1.88 0.09 0.00 0.00 178.83 180.22 1s44 h TYR 146 N 1.10 0.66 -0.76 0.06 0.99 -1.46 -3.23 116.97 114.32 1s44 h TYR 146 Ca 0.37 -0.49 0.17 0.00 2.00 0.00 0.00 58.73 60.79 1s44 h TYR 146 Cb 0.05 -0.03 -0.12 0.00 1.00 0.00 0.00 36.73 37.64 1s44 h TYR 146 CO -0.02 1.43 0.15 0.28 -0.00 0.00 0.00 178.16 179.99 1s44 h VAL 147 N -0.20 0.44 -0.70 -2.88 2.07 -1.22 -2.24 116.25 111.52 1s44 h VAL 147 Ca -0.20 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.25 1s44 h VAL 147 Cb 1.82 0.20 -0.03 0.00 -1.52 0.00 0.00 31.29 31.76 1s44 h VAL 147 CO 0.18 0.04 0.45 0.11 0.02 0.00 0.00 177.57 178.37 1s44 h LYS 148 N 0.22 0.93 -0.01 1.57 1.57 -1.23 0.14 116.57 119.76 1s44 h LYS 148 Ca 0.44 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 59.16 1s44 h LYS 148 Cb 0.78 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.87 1s44 h LYS 148 CO -0.57 0.63 -0.04 0.87 -0.57 0.00 0.00 179.45 179.77 1s44 h LYS 149 N 0.96 -0.06 -0.62 3.15 1.57 -1.43 0.92 116.57 121.06 1s44 h LYS 149 Ca 0.26 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.95 1s44 h LYS 149 Cb -0.09 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 1s44 h LYS 149 CO -0.05 -0.04 0.05 0.00 -0.57 0.00 0.00 179.45 178.84 1s44 h GLU 151 N 0.96 0.21 -0.50 0.00 4.81 -0.45 -0.32 114.58 119.29 1s44 h GLU 151 Ca 0.18 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.37 1s44 h GLU 151 Cb 0.50 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.80 1s44 h GLU 151 CO 0.02 0.14 0.20 0.00 -0.73 0.00 0.00 179.01 178.64 1s44 h ALA 152 N 1.32 1.40 -0.28 2.92 0.00 -0.59 -1.64 119.26 122.39 1s44 h ALA 152 Ca 0.20 -0.14 -0.16 0.00 0.00 0.00 0.00 54.91 54.82 1s44 h ALA 152 Cb 0.24 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1s44 h ALA 152 CO -0.26 0.45 -0.46 0.00 0.00 0.00 0.00 179.25 178.98 1s44 h ALA 153 N 1.50 0.66 -0.13 0.00 0.00 -0.24 -0.76 119.26 120.29 1s44 h ALA 153 Ca 0.17 -0.48 -0.18 0.00 0.00 0.00 0.00 54.91 54.42 1s44 h ALA 153 Cb 0.15 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.85 1s44 h ALA 153 CO -0.02 0.67 -0.64 0.74 0.00 0.00 0.00 179.25 180.01 1s44 h PHE 154 N 0.59 0.90 -0.69 0.00 -1.00 -1.14 -3.01 116.94 112.59 1s44 h PHE 154 Ca 0.03 -0.39 -0.01 0.00 2.81 0.00 0.00 57.97 60.41 1s44 h PHE 154 Cb 1.02 -0.14 -0.03 0.00 3.61 0.00 0.00 35.95 40.41 1s44 h PHE 154 CO 0.05 1.20 0.38 0.87 -1.61 0.00 0.00 178.31 179.20 1s44 h LYS 155 N 0.34 0.95 0.00 1.51 1.57 -1.18 -1.00 116.57 118.76 1s44 h LYS 155 Ca -0.04 -0.10 -0.00 0.00 -1.87 0.00 0.00 60.65 58.63 1s44 h LYS 155 Cb 1.28 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 33.39 1s44 h LYS 155 CO 0.13 0.70 -0.02 -0.97 -0.57 0.00 0.00 179.45 178.72 1s44 h ASN 156 N 0.96 0.00 -0.34 0.86 -1.24 -1.00 -0.75 115.58 114.07 1s44 h ASN 156 Ca 0.24 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.25 1s44 h ASN 156 Cb 0.02 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.07 1s44 h ASN 156 CO -0.04 0.02 0.00 2.30 -1.29 0.00 0.00 177.43 178.42 1s44 n ILE 157 N -3.66 2.18 -2.10 2.57 -5.35 -0.67 -4.98 119.36 107.35 1s44 n ILE 157 Ca -0.03 -1.66 -0.10 0.00 -0.27 0.00 0.00 62.75 60.69 1s44 n ILE 157 Cb 0.11 -0.14 -0.01 0.00 -1.74 0.00 0.00 39.64 37.85 1s44 n ILE 157 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 1s44 n ASN 158 N -0.11 -3.52 -4.77 7.28 5.15 -0.29 -4.84 115.26 114.16 1s44 n ASN 158 Ca 0.21 0.02 -0.37 0.00 -0.60 0.00 0.00 54.58 53.84 1s44 n ASN 158 Cb 0.89 -2.69 -0.06 0.00 -0.53 0.00 0.00 39.78 37.39 1s44 n ASN 158 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1s44 s VAL 159 N -2.50 5.18 -0.49 3.44 1.01 -0.47 -5.00 120.40 121.57 1s44 s VAL 159 Ca 0.00 0.75 -0.28 0.00 0.00 0.00 0.00 61.98 62.44 1s44 s VAL 159 Cb 0.00 -3.70 0.02 0.00 0.00 0.00 0.00 36.38 32.70 1s44 s VAL 159 CO 0.00 0.45 1.34 -0.62 0.00 0.00 0.00 175.10 176.27 1s44 s ASP 160 N -0.12 6.33 0.02 3.32 -1.08 -1.26 -3.97 116.67 119.90 1s44 s ASP 160 Ca 0.22 0.51 0.18 0.00 -0.52 0.00 0.00 52.55 52.94 1s44 s ASP 160 Cb -0.15 -2.55 0.77 0.00 -1.46 0.00 0.00 42.92 39.53 1s44 s ASP 160 CO 0.09 -1.50 1.58 0.35 0.52 0.00 0.00 175.17 176.21 1s44 n THR 161 N 6.93 0.78 0.36 1.71 -2.24 -1.26 -0.62 114.28 119.95 1s44 n THR 161 Ca 0.14 0.19 0.05 0.00 -2.27 0.00 0.00 64.05 62.16 1s44 n THR 161 Cb 0.49 -0.90 0.23 0.00 -2.10 0.00 0.00 70.33 68.05 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 -1.55 1.27 0.73 4.28 -2.24 -1.26 -1.71 114.28 113.79 1s44 n THR 162 Ca 0.04 0.32 0.13 0.00 -2.27 0.00 0.00 64.05 62.27 1s44 n THR 162 Cb 0.21 -1.14 0.49 0.00 -2.10 0.00 0.00 70.33 67.79 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 -1.50 0.13 -2.33 -0.78 1.74 0.21 -4.84 116.66 109.29 1s44 n ARG 163 Ca 0.03 0.16 -0.38 0.00 -0.77 0.00 0.00 57.85 56.89 1s44 n ARG 163 Cb 0.12 -1.67 -0.02 0.00 -1.02 0.00 0.00 32.46 29.87 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 -3.08 3.11 -0.05 -1.55 0.08 -0.70 -4.18 117.98 111.61 1s44 s PHE 164 Ca 0.11 1.57 0.03 0.00 0.12 0.00 0.00 56.93 58.76 1s44 s PHE 164 Cb 0.14 -3.36 0.00 0.00 -0.57 0.00 0.00 43.02 39.23 1s44 s PHE 164 CO 0.52 -1.21 -0.14 0.08 -0.10 0.00 0.00 175.22 174.36 1s44 s VAL 165 N -1.42 1.26 0.25 -0.44 1.01 -0.04 -4.95 120.40 116.07 1s44 s VAL 165 Ca 0.56 -0.59 -0.30 0.00 0.00 0.00 0.00 61.98 61.66 1s44 s VAL 165 Cb -0.30 -1.11 -0.09 0.00 0.00 0.00 0.00 36.38 34.88 1s44 s VAL 165 CO 0.38 0.37 1.27 -0.75 0.00 0.00 0.00 175.10 176.37 1s44 s LYS 166 N 0.34 4.42 -0.04 2.72 2.20 -1.26 -1.43 119.74 126.69 1s44 s LYS 166 Ca -0.09 2.05 -0.13 0.00 -0.36 0.00 0.00 55.97 57.44 1s44 s LYS 166 Cb -0.13 -3.16 -0.05 0.00 -1.51 0.00 0.00 37.83 32.98 1s44 s LYS 166 CO 0.03 -0.15 0.34 0.99 -0.36 0.00 0.00 175.35 176.20 1s44 s THR 167 N -0.46 5.16 0.10 3.43 2.01 -0.47 -4.95 115.64 120.45 1s44 s THR 167 Ca 0.52 0.68 -0.31 0.00 0.31 0.00 0.00 61.69 62.89 1s44 s THR 167 Cb -0.37 -3.63 -0.09 0.00 0.01 0.00 0.00 72.50 68.42 1s44 s THR 167 CO 0.43 0.58 1.61 -0.69 -0.69 0.00 0.00 174.62 175.86 1s44 s VAL 168 N -1.00 2.93 0.18 3.82 1.01 -1.26 -4.89 120.40 121.19 1s44 s VAL 168 Ca 0.21 0.51 -0.09 0.00 0.00 0.00 0.00 61.98 62.61 1s44 s VAL 168 Cb -0.15 -3.33 -0.01 0.00 0.00 0.00 0.00 36.38 32.89 1s44 s VAL 168 CO 0.11 0.01 0.31 -1.10 0.00 0.00 0.00 175.10 174.43 1s44 s GLN 169 N 2.09 1.23 0.00 2.72 -1.52 -1.26 -0.43 119.66 122.49 1s44 s GLN 169 Ca 0.72 -1.20 0.00 0.00 -1.95 0.00 0.00 55.36 52.93 1s44 s GLN 169 Cb -0.41 0.39 0.00 0.00 -0.22 0.00 0.00 33.01 32.77 1s44 s GLN 169 CO 0.32 -0.46 0.00 0.41 -0.25 0.00 0.00 175.29 175.31 1s44 n GLY 170 N -0.25 0.43 0.21 3.09 0.00 -1.26 -4.73 105.19 102.68 1s44 n GLY 170 Ca -0.06 -2.22 0.14 0.00 0.00 0.00 0.00 46.02 43.88 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 0.82 1.61 4.64 -2.01 0.22 113.55 118.82 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 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.42 1s44 n SER 172 N -2.49 0.16 -4.81 4.97 3.41 -1.26 -4.82 113.62 108.78 1s44 n SER 172 Ca -0.02 0.53 -0.37 0.00 -0.26 0.00 0.00 58.87 58.75 1s44 n SER 172 Cb 0.06 -0.56 -0.06 0.00 -0.26 0.00 0.00 64.21 63.39 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 2.41 3.94 -0.22 0.00 -0.04 -1.26 -4.75 135.00 135.09 1s44 n PRO 174 Ca -0.14 -2.99 -0.01 0.00 -0.04 0.00 0.00 63.50 60.32 1s44 n PRO 174 Cb 0.53 -2.82 0.20 0.00 -0.04 0.00 0.00 33.50 31.37 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 5.10 0.98 0.00 0.54 0.99 -1.93 0.23 116.97 122.88 1s44 h TYR 175 Ca 0.68 -0.02 -0.10 0.00 2.00 0.00 0.00 58.73 61.30 1s44 h TYR 175 Cb 0.40 -0.32 -0.01 0.00 1.00 0.00 0.00 36.73 37.80 1s44 h TYR 175 CO 1.61 0.69 -0.46 -0.44 -0.00 0.00 0.00 178.16 179.56 1s44 h ASP 176 N 1.01 0.00 -0.03 3.88 3.45 -2.00 -0.91 116.42 121.82 1s44 h ASP 176 Ca 0.26 0.00 -0.02 0.00 0.43 0.00 0.00 57.03 57.70 1s44 h ASP 176 Cb 0.03 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 38.80 1s44 h ASP 176 CO -0.04 0.46 -0.04 0.74 -1.57 0.00 0.00 179.24 178.78 1s44 h THR 177 N 0.00 1.40 -0.89 0.35 2.02 -1.60 -3.27 112.91 110.92 1s44 h THR 177 Ca -0.00 -1.26 0.22 0.00 0.77 0.00 0.00 66.41 66.13 1s44 h THR 177 Cb 0.83 2.17 -0.13 0.00 -1.74 0.00 0.00 68.15 69.29 1s44 h THR 177 CO 0.06 0.34 0.36 1.56 0.37 0.00 0.00 175.52 178.21 1s44 h GLN 178 N -0.40 0.35 0.00 6.66 4.20 -0.17 -1.67 115.11 124.08 1s44 h GLN 178 Ca 0.00 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.69 1s44 h GLN 178 Cb 0.57 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.27 1s44 h GLN 178 CO 0.01 0.23 0.00 0.36 -0.67 0.00 0.00 178.83 178.76 1s44 n LYS 179 N -5.08 0.09 0.00 1.46 2.85 -0.38 -1.33 118.16 115.76 1s44 n LYS 179 Ca 0.22 0.44 0.07 0.00 -1.05 0.00 0.00 58.31 57.98 1s44 n LYS 179 Cb 0.66 -1.71 -0.05 0.00 -0.65 0.00 0.00 35.03 33.27 1s44 n LYS 179 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 1s44 n THR 180 N -1.88 0.00 0.00 0.58 -1.04 -0.64 -5.11 114.28 106.19 1s44 n THR 180 Ca 0.01 -0.22 0.00 0.00 -2.04 0.00 0.00 64.05 61.80 1s44 n THR 180 Cb 0.12 1.06 0.00 0.00 -1.82 0.00 0.00 70.33 69.69 1s44 n THR 180 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95