#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ict n PRO 11 N 0.00 0.14 -3.68 0.00 -0.04 -1.26 -4.56 135.00 125.59 1ict n PRO 11 Ca 0.00 0.13 -0.14 0.00 -0.04 0.00 0.00 63.50 63.46 1ict n PRO 11 Cb 0.00 -1.67 -0.09 0.00 -0.04 0.00 0.00 33.50 31.71 1ict n PRO 11 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1ict s LEU 12 N -3.81 -0.13 -0.30 1.53 2.96 -1.25 -1.27 118.68 116.41 1ict s LEU 12 Ca 0.12 1.12 -0.15 0.00 -0.22 0.00 0.00 54.13 55.00 1ict s LEU 12 Cb 0.15 1.92 0.16 0.00 0.50 0.00 0.00 46.19 48.92 1ict s LEU 12 CO 0.55 -0.19 1.00 0.00 -1.32 0.00 0.00 176.35 176.38 1ict s MET 13 N 0.30 0.30 0.73 1.98 0.23 -1.14 -4.10 119.30 117.61 1ict s MET 13 Ca -0.00 0.67 -0.06 0.00 -1.03 0.00 0.00 55.69 55.28 1ict s MET 13 Cb -0.04 0.32 0.10 0.00 -1.53 0.00 0.00 34.83 33.68 1ict s MET 13 CO 0.01 -0.09 1.03 0.14 -2.03 0.00 0.00 175.02 174.08 1ict s VAL 14 N 2.09 2.24 -0.30 5.16 -7.23 -1.23 -2.13 120.40 119.00 1ict s VAL 14 Ca -0.04 -0.35 -0.08 0.00 -1.81 0.00 0.00 61.98 59.70 1ict s VAL 14 Cb -0.05 -2.89 0.16 0.00 0.56 0.00 0.00 36.38 34.16 1ict s VAL 14 CO -0.17 0.00 0.73 -0.75 -0.31 0.00 0.00 175.10 174.61 1ict s LYS 15 N -5.27 0.48 -0.09 4.82 2.20 -0.44 -2.05 119.74 119.39 1ict s LYS 15 Ca 0.64 1.04 0.02 0.00 -0.36 0.00 0.00 55.97 57.31 1ict s LYS 15 Cb -0.08 0.61 -0.02 0.00 -1.51 0.00 0.00 37.83 36.83 1ict s LYS 15 CO 0.45 -0.34 -0.15 0.08 -0.36 0.00 0.00 175.35 175.03 1ict s VAL 16 N 2.82 2.90 0.16 4.02 1.01 0.09 -1.48 120.40 129.92 1ict s VAL 16 Ca 0.05 -0.74 0.11 0.00 0.00 0.00 0.00 61.98 61.40 1ict s VAL 16 Cb -0.12 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.05 1ict s VAL 16 CO -0.19 0.56 -0.25 -0.76 0.00 0.00 0.00 175.10 174.46 1ict s LEU 17 N -0.11 2.39 -0.26 3.92 1.43 -0.43 -1.19 118.68 124.42 1ict s LEU 17 Ca -0.02 -0.81 -0.09 0.00 -1.03 0.00 0.00 54.13 52.18 1ict s LEU 17 Cb -0.14 -1.20 -0.04 0.00 0.03 0.00 0.00 46.19 44.84 1ict s LEU 17 CO 0.04 0.15 0.13 -0.62 0.23 0.00 0.00 176.35 176.28 1ict s ASP 18 N -2.38 5.64 0.39 2.29 -1.08 0.21 -0.85 116.67 120.89 1ict s ASP 18 Ca 0.18 -0.09 0.22 0.00 -0.52 0.00 0.00 52.55 52.34 1ict s ASP 18 Cb -0.09 -2.03 0.27 0.00 -1.46 0.00 0.00 42.92 39.61 1ict s ASP 18 CO 0.08 -0.03 1.53 0.00 0.52 0.00 0.00 175.17 177.27 1ict h ALA 19 N 8.22 0.91 0.12 3.66 0.00 -1.43 0.43 119.26 131.18 1ict h ALA 19 Ca -0.37 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 1ict h ALA 19 Cb 1.18 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1ict h ALA 19 CO 0.57 0.11 -0.06 0.28 0.00 0.00 0.00 179.25 180.15 1ict h VAL 20 N 0.00 0.35 -0.00 0.00 2.07 -1.94 -3.36 116.25 113.37 1ict h VAL 20 Ca -0.00 -1.09 -0.17 0.00 0.82 0.00 0.00 66.70 66.26 1ict h VAL 20 Cb 1.07 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 31.46 1ict h VAL 20 CO 0.01 0.11 -0.78 0.03 0.02 0.00 0.00 177.57 176.96 1ict h ARG 21 N -1.01 0.06 -2.48 1.57 3.08 -1.95 -3.48 114.38 110.17 1ict h ARG 21 Ca -0.02 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 59.94 1ict h ARG 21 Cb 0.30 0.02 0.02 0.00 0.08 0.00 0.00 29.97 30.39 1ict h ARG 21 CO 0.03 0.80 -0.09 0.41 -1.07 0.00 0.00 179.97 180.05 1ict n GLY 22 N 0.68 0.37 3.69 0.04 0.00 0.10 -5.06 105.19 105.00 1ict n GLY 22 Ca -0.01 -0.40 -0.10 0.00 0.00 0.00 0.00 46.02 45.51 1ict n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ict s SER 23 N -3.15 0.17 0.25 1.61 1.04 -0.92 -4.98 113.70 107.71 1ict s SER 23 Ca 0.00 -1.09 -0.30 0.00 0.48 0.00 0.00 55.95 55.04 1ict s SER 23 Cb -0.00 0.73 -0.09 0.00 0.10 0.00 0.00 66.02 66.76 1ict s SER 23 CO 0.09 -1.42 1.15 -2.16 0.98 0.00 0.00 173.24 171.87 1ict s PRO 24 N -3.12 4.56 -0.46 4.02 0.04 -1.26 0.68 135.00 139.45 1ict s PRO 24 Ca 0.20 1.86 -0.28 0.00 0.04 0.00 0.00 61.00 62.81 1ict s PRO 24 Cb -0.03 -3.20 0.01 0.00 0.04 0.00 0.00 34.50 31.31 1ict s PRO 24 CO 0.12 0.07 1.47 0.00 0.04 0.00 0.00 177.00 178.70 1ict s ALA 25 N -0.73 2.91 0.20 8.56 0.00 -0.33 -4.69 121.76 127.68 1ict s ALA 25 Ca 0.48 -0.31 -0.13 0.00 0.00 0.00 0.00 51.96 52.00 1ict s ALA 25 Cb -0.33 -4.02 -0.07 0.00 0.00 0.00 0.00 23.12 18.70 1ict s ALA 25 CO 0.40 -2.66 0.58 0.42 0.00 0.00 0.00 175.76 174.50 1ict s ILE 26 N 5.94 4.84 -1.45 0.00 1.01 -1.26 -4.39 121.20 125.89 1ict s ILE 26 Ca 0.60 0.77 -0.08 0.00 0.00 0.00 0.00 60.65 61.94 1ict s ILE 26 Cb -0.13 -3.69 0.05 0.00 0.01 0.00 0.00 42.46 38.69 1ict s ILE 26 CO 0.30 0.10 0.84 0.59 0.00 0.00 0.00 174.94 176.77 1ict n ASN 27 N 0.38 -3.14 -4.58 3.58 5.03 0.51 -4.92 115.26 112.11 1ict n ASN 27 Ca -0.02 -0.81 -0.39 0.00 0.87 0.00 0.00 54.58 54.22 1ict n ASN 27 Cb 0.52 -3.87 -0.10 0.00 -1.02 0.00 0.00 39.78 35.31 1ict n ASN 27 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1ict s VAL 28 N -3.48 5.24 0.04 2.41 1.01 -1.26 -4.75 120.40 119.61 1ict s VAL 28 Ca 0.38 0.24 -0.30 0.00 0.00 0.00 0.00 61.98 62.29 1ict s VAL 28 Cb -0.19 -3.65 -0.07 0.00 0.00 0.00 0.00 36.38 32.47 1ict s VAL 28 CO 0.83 0.14 1.61 0.00 0.00 0.00 0.00 175.10 177.68 1ict s ALA 29 N 1.90 3.66 -0.07 5.51 0.00 -1.26 -1.92 121.76 129.57 1ict s ALA 29 Ca 0.10 1.11 0.04 0.00 0.00 0.00 0.00 51.96 53.21 1ict s ALA 29 Cb -0.16 -3.68 0.00 0.00 0.00 0.00 0.00 23.12 19.28 1ict s ALA 29 CO 0.11 -1.11 -0.20 0.08 0.00 0.00 0.00 175.76 174.64 1ict s VAL 30 N 2.78 1.68 -0.07 0.00 1.01 0.14 -1.27 120.40 124.66 1ict s VAL 30 Ca 0.72 -0.82 0.05 0.00 0.00 0.00 0.00 61.98 61.93 1ict s VAL 30 Cb -0.37 -1.46 -0.01 0.00 0.00 0.00 0.00 36.38 34.54 1ict s VAL 30 CO 0.31 0.48 -0.24 -1.00 0.00 0.00 0.00 175.10 174.65 1ict s HIS 31 N 0.31 2.38 -0.18 5.22 3.76 -0.70 -1.18 115.29 124.90 1ict s HIS 31 Ca -0.13 -0.81 -0.03 0.00 -0.15 0.00 0.00 55.06 53.94 1ict s HIS 31 Cb -0.16 -1.58 -0.02 0.00 1.11 0.00 0.00 32.58 31.94 1ict s HIS 31 CO 0.06 -0.28 -0.06 0.08 -0.85 0.00 0.00 174.74 173.68 1ict s VAL 32 N 0.05 3.51 0.16 -0.90 1.01 -0.32 0.73 120.40 124.65 1ict s VAL 32 Ca -0.09 -0.48 0.11 0.00 0.00 0.00 0.00 61.98 61.52 1ict s VAL 32 Cb -0.15 -2.55 -0.04 0.00 0.00 0.00 0.00 36.38 33.64 1ict s VAL 32 CO 0.05 0.47 -0.23 -0.36 0.00 0.00 0.00 175.10 175.03 1ict s PHE 33 N 0.83 2.35 -0.07 5.22 2.99 0.13 -1.39 117.98 128.05 1ict s PHE 33 Ca -0.02 -0.35 0.05 0.00 0.00 0.00 0.00 56.93 56.61 1ict s PHE 33 Cb -0.15 -1.21 -0.00 0.00 0.00 0.00 0.00 43.02 41.66 1ict s PHE 33 CO 0.01 0.44 -0.23 0.50 -0.00 0.00 0.00 175.22 175.94 1ict s ARG 34 N -2.43 2.57 -0.23 0.44 3.52 0.54 -0.54 118.95 122.82 1ict s ARG 34 Ca 0.19 -0.82 -0.29 0.00 -0.13 0.00 0.00 55.73 54.68 1ict s ARG 34 Cb -0.09 -2.07 -0.02 0.00 -1.56 0.00 0.00 34.95 31.21 1ict s ARG 34 CO 0.09 0.26 1.42 0.21 -0.81 0.00 0.00 175.30 176.47 1ict s LYS 35 N 0.12 3.96 0.49 5.12 2.47 0.99 -0.83 119.74 132.06 1ict s LYS 35 Ca -0.10 1.54 -0.02 0.00 -1.56 0.00 0.00 55.97 55.83 1ict s LYS 35 Cb -0.15 -3.91 -0.00 0.00 -1.46 0.00 0.00 37.83 32.30 1ict s LYS 35 CO 0.06 -1.07 0.75 0.00 0.16 0.00 0.00 175.35 175.24 1ict s ALA 36 N 4.43 3.58 0.28 3.13 0.00 -1.01 -4.61 121.76 127.56 1ict s ALA 36 Ca 0.62 -0.89 0.02 0.00 0.00 0.00 0.00 51.96 51.70 1ict s ALA 36 Cb -0.22 -2.32 0.64 0.00 0.00 0.00 0.00 23.12 21.22 1ict s ALA 36 CO 0.24 -0.50 1.73 0.00 0.00 0.00 0.00 175.76 177.23 1ict h ALA 37 N 0.21 1.38 0.00 0.00 0.00 -1.95 -1.69 119.26 117.22 1ict h ALA 37 Ca -0.46 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1ict h ALA 37 Cb 1.25 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1ict h ALA 37 CO 0.59 -0.21 0.00 -0.40 0.00 0.00 0.00 179.25 179.23 1ict n ASP 38 N -4.94 0.16 0.00 0.00 5.68 -1.26 -4.75 116.55 111.43 1ict n ASP 38 Ca 0.20 -0.44 0.00 0.00 -0.50 0.00 0.00 54.79 54.04 1ict n ASP 38 Cb 0.55 -0.08 0.00 0.00 -1.14 0.00 0.00 41.12 40.45 1ict n ASP 38 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1ict n ASP 39 N 0.12 0.00 -4.96 -1.12 8.00 -0.63 -4.94 116.55 113.02 1ict n ASP 39 Ca 0.00 0.00 -0.22 0.00 0.71 0.00 0.00 54.79 55.28 1ict n ASP 39 Cb 0.04 -2.15 0.04 0.00 -0.02 0.00 0.00 41.12 39.03 1ict n ASP 39 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1ict s THR 40 N -0.94 2.68 -0.21 -3.53 -4.23 -1.26 -4.88 115.64 103.26 1ict s THR 40 Ca 0.00 -0.56 -0.12 0.00 -1.18 0.00 0.00 61.69 59.82 1ict s THR 40 Cb 0.00 -3.04 -0.05 0.00 1.34 0.00 0.00 72.50 70.76 1ict s THR 40 CO 0.00 -0.03 0.24 0.26 -0.54 0.00 0.00 174.62 174.55 1ict s TRP 41 N -2.85 3.36 -0.17 3.99 0.52 -1.26 -2.41 118.94 120.12 1ict s TRP 41 Ca 0.57 0.39 -0.15 0.00 0.02 0.00 0.00 56.10 56.93 1ict s TRP 41 Cb -0.10 -2.34 -0.04 0.00 -1.15 0.00 0.00 33.47 29.84 1ict s TRP 41 CO 0.40 0.09 0.36 -1.21 0.02 0.00 0.00 176.95 176.61 1ict s GLU 42 N 0.97 4.25 -0.99 4.98 0.41 -0.01 -4.90 118.70 123.41 1ict s GLU 42 Ca 0.12 0.19 -0.24 0.00 -0.41 0.00 0.00 54.97 54.64 1ict s GLU 42 Cb -0.13 -3.47 -0.03 0.00 -1.78 0.00 0.00 34.13 28.72 1ict s GLU 42 CO 0.05 0.13 1.85 -1.25 -0.49 0.00 0.00 175.26 175.55 1ict s PRO 43 N 0.78 2.79 0.08 0.39 0.04 -1.26 -0.34 135.00 137.48 1ict s PRO 43 Ca 0.19 -0.67 -0.31 0.00 0.04 0.00 0.00 61.00 60.25 1ict s PRO 43 Cb -0.14 -5.17 -0.17 0.00 0.04 0.00 0.00 34.50 29.07 1ict s PRO 43 CO 0.06 -3.24 1.63 0.35 0.04 0.00 0.00 177.00 175.85 1ict h PHE 44 N 10.58 -0.80 -3.35 0.56 3.57 -1.60 -3.48 116.94 122.43 1ict h PHE 44 Ca 0.15 -0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.54 1ict h PHE 44 Cb 0.99 0.28 -0.02 0.00 2.79 0.00 0.00 35.95 39.99 1ict h PHE 44 CO 1.24 -0.47 0.14 0.00 -2.23 0.00 0.00 178.31 176.99 1ict s ALA 45 N -6.05 -0.24 -0.16 2.41 0.00 -0.48 -5.01 121.76 112.22 1ict s ALA 45 Ca -0.17 -1.02 -0.33 0.00 0.00 0.00 0.00 51.96 50.45 1ict s ALA 45 Cb 0.04 0.81 0.14 0.00 0.00 0.00 0.00 23.12 24.11 1ict s ALA 45 CO 0.63 -0.93 1.13 -1.54 0.00 0.00 0.00 175.76 175.05 1ict s SER 46 N -3.13 -0.21 0.00 0.00 1.04 -1.26 -1.17 113.70 108.97 1ict s SER 46 Ca 0.20 0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.69 1ict s SER 46 Cb -0.04 0.20 0.00 0.00 0.10 0.00 0.00 66.02 66.29 1ict s SER 46 CO 0.15 -0.31 0.00 0.61 0.98 0.00 0.00 173.24 174.67 1ict n GLY 47 N 0.06 0.41 3.58 7.32 0.00 -0.33 -5.02 105.19 111.22 1ict n GLY 47 Ca -0.03 -0.99 -0.33 0.00 0.00 0.00 0.00 46.02 44.67 1ict n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ict s LYS 48 N -2.00 2.69 0.24 1.61 1.02 -1.26 0.25 119.74 122.29 1ict s LYS 48 Ca 0.00 -0.60 -0.30 0.00 0.02 0.00 0.00 55.97 55.10 1ict s LYS 48 Cb 0.00 -2.56 -0.10 0.00 -0.52 0.00 0.00 37.83 34.65 1ict s LYS 48 CO 0.00 0.65 1.36 0.95 -0.92 0.00 0.00 175.35 177.39 1ict s THR 49 N -0.86 2.90 0.00 2.17 -4.23 -0.81 -4.82 115.64 110.00 1ict s THR 49 Ca 0.14 0.77 0.00 0.00 -1.18 0.00 0.00 61.69 61.42 1ict s THR 49 Cb -0.11 -3.49 0.00 0.00 1.34 0.00 0.00 72.50 70.24 1ict s THR 49 CO 0.03 0.13 0.00 -1.54 -0.54 0.00 0.00 174.62 172.70 1ict n SER 50 N 2.23 -1.05 0.22 3.99 3.41 -1.15 -0.36 113.62 120.92 1ict n SER 50 Ca 0.05 -0.42 0.08 0.00 -0.26 0.00 0.00 58.87 58.33 1ict n SER 50 Cb 0.42 0.00 0.51 0.00 -0.26 0.00 0.00 64.21 64.88 1ict n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1ict h GLU 51 N 0.00 0.00 0.00 4.33 5.08 -1.94 -1.29 114.58 120.76 1ict h GLU 51 Ca 0.00 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 1ict h GLU 51 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1ict h GLU 51 CO 0.00 0.25 -0.26 0.77 -1.00 0.00 0.00 179.01 178.77 1ict h SER 52 N 0.00 0.00 0.00 1.42 0.02 -1.95 -3.45 113.55 109.59 1ict h SER 52 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1ict h SER 52 Cb 0.58 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.12 1ict h SER 52 CO 0.03 0.26 0.00 0.61 -1.14 0.00 0.00 176.83 176.59 1ict n GLY 53 N 0.78 0.84 3.33 -3.77 0.00 -0.49 -4.73 105.19 101.15 1ict n GLY 53 Ca 0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.78 1ict n GLY 53 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ict s GLU 54 N -0.73 1.25 -0.73 1.61 -1.05 -1.26 -0.73 118.70 117.06 1ict s GLU 54 Ca 0.00 -1.23 0.04 0.00 -0.15 0.00 0.00 54.97 53.63 1ict s GLU 54 Cb 0.00 -1.60 0.24 0.00 -0.44 0.00 0.00 34.13 32.33 1ict s GLU 54 CO 0.00 0.38 0.79 -0.11 0.95 0.00 0.00 175.26 177.27 1ict n LEU 55 N 1.05 3.99 -4.82 1.83 7.94 -0.87 -2.94 117.00 123.17 1ict n LEU 55 Ca -0.19 -5.35 -0.33 0.00 -1.11 0.00 0.00 56.01 49.04 1ict n LEU 55 Cb 0.53 -0.80 -0.05 0.00 0.53 0.00 0.00 43.42 43.64 1ict n LEU 55 CO 0.23 1.91 0.68 -1.38 -1.11 0.00 0.00 177.39 177.71 1ict s HIS 56 N -2.22 3.28 -0.55 1.96 -3.43 -1.26 -3.52 115.29 109.54 1ict s HIS 56 Ca 0.35 1.55 -0.01 0.00 -0.80 0.00 0.00 55.06 56.15 1ict s HIS 56 Cb 0.08 -2.88 -0.01 0.00 -1.43 0.00 0.00 32.58 28.34 1ict s HIS 56 CO -0.04 -0.39 0.47 0.41 -2.00 0.00 0.00 174.74 173.19 1ict n GLY 57 N -0.91 0.01 0.10 -1.38 0.00 -1.26 -4.97 105.19 96.79 1ict n GLY 57 Ca 0.07 -0.09 0.03 0.00 0.00 0.00 0.00 46.02 46.03 1ict n GLY 57 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1ict h LEU 58 N -0.79 0.00 -8.22 0.99 5.85 -1.76 -3.48 115.31 107.90 1ict h LEU 58 Ca -0.29 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.37 1ict h LEU 58 Cb 1.16 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 42.12 1ict h LEU 58 CO 0.23 0.44 -0.03 0.28 -0.34 0.00 0.00 178.44 179.02 1ict s THR 59 N -3.02 0.00 0.21 1.05 -1.32 -1.26 -4.78 115.64 106.51 1ict s THR 59 Ca -0.02 -1.33 0.08 0.00 -1.21 0.00 0.00 61.69 59.21 1ict s THR 59 Cb 0.09 -2.32 -0.04 0.00 -1.51 0.00 0.00 72.50 68.72 1ict s THR 59 CO 0.80 0.00 -0.02 0.42 -2.21 0.00 0.00 174.62 173.61 1ict s THR 60 N -3.66 3.50 0.38 5.08 -4.23 -1.26 -4.71 115.64 110.74 1ict s THR 60 Ca 0.21 -1.64 0.18 0.00 -1.18 0.00 0.00 61.69 59.26 1ict s THR 60 Cb -0.02 -2.79 0.38 0.00 1.34 0.00 0.00 72.50 71.41 1ict s THR 60 CO 0.11 -0.20 1.72 -0.33 -0.54 0.00 0.00 174.62 175.38 1ict h GLU 61 N 2.48 0.36 0.01 3.99 4.39 -1.99 -2.12 114.58 121.71 1ict h GLU 61 Ca -0.46 -0.02 -0.25 0.00 0.34 0.00 0.00 59.36 58.96 1ict h GLU 61 Cb 1.22 -0.08 0.01 0.00 -0.10 0.00 0.00 28.75 29.80 1ict h GLU 61 CO 0.58 0.24 -1.03 0.93 -1.16 0.00 0.00 179.01 178.57 1ict h GLU 62 N 0.37 0.57 0.00 2.33 3.07 -2.03 -3.28 114.58 115.61 1ict h GLU 62 Ca 0.66 -0.63 -0.03 0.00 -0.50 0.00 0.00 59.36 58.86 1ict h GLU 62 Cb 1.64 0.18 -0.00 0.00 -0.84 0.00 0.00 28.75 29.73 1ict h GLU 62 CO -0.41 1.24 -0.15 1.49 -1.40 0.00 0.00 179.01 179.79 1ict h GLU 63 N 0.31 0.00 -4.88 2.33 4.81 -1.82 -3.39 114.58 111.94 1ict h GLU 63 Ca -0.12 0.00 -0.63 0.00 -0.13 0.00 0.00 59.36 58.48 1ict h GLU 63 Cb 1.68 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 31.02 1ict h GLU 63 CO 0.19 0.15 2.37 0.34 -0.73 0.00 0.00 179.01 181.33 1ict n PHE 64 N -3.16 3.41 -1.45 0.92 7.35 -0.85 -4.95 117.46 118.73 1ict n PHE 64 Ca 0.03 -2.46 -0.30 0.00 -0.76 0.00 0.00 57.45 53.96 1ict n PHE 64 Cb 0.55 -2.42 0.20 0.00 0.35 0.00 0.00 39.48 38.16 1ict n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 1ict s VAL 65 N 5.11 1.82 0.72 -2.13 -7.23 -1.26 -4.99 120.40 112.42 1ict s VAL 65 Ca 0.55 0.00 -0.12 0.00 -1.81 0.00 0.00 61.98 60.60 1ict s VAL 65 Cb 0.09 -2.71 0.03 0.00 0.56 0.00 0.00 36.38 34.35 1ict s VAL 65 CO 0.04 0.00 1.09 -1.61 -0.31 0.00 0.00 175.10 174.30 1ict s GLU 66 N -5.54 2.61 0.00 4.82 8.01 -1.26 -4.79 118.70 122.55 1ict s GLU 66 Ca 0.71 1.17 0.00 0.00 0.01 0.00 0.00 54.97 56.86 1ict s GLU 66 Cb -0.09 -1.94 0.00 0.00 -4.31 0.00 0.00 34.13 27.79 1ict s GLU 66 CO 0.55 -1.37 0.00 0.41 0.01 0.00 0.00 175.26 174.85 1ict n GLY 67 N -1.21 1.00 3.66 -1.39 0.00 -0.79 -5.01 105.19 101.44 1ict n GLY 67 Ca 0.09 -1.94 -0.38 0.00 0.00 0.00 0.00 46.02 43.78 1ict n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ict s ILE 68 N -1.04 5.21 0.08 -0.61 1.01 -1.26 -0.92 121.20 123.67 1ict s ILE 68 Ca 0.00 0.62 0.08 0.00 0.00 0.00 0.00 60.65 61.36 1ict s ILE 68 Cb 0.00 -3.70 -0.04 0.00 0.01 0.00 0.00 42.46 38.74 1ict s ILE 68 CO 0.00 0.24 -0.20 -0.31 0.00 0.00 0.00 174.94 174.67 1ict s TYR 69 N 1.45 2.50 -0.23 3.97 1.51 -0.12 -0.01 117.35 126.42 1ict s TYR 69 Ca 0.17 -0.29 0.02 0.00 -1.01 0.00 0.00 57.07 55.96 1ict s TYR 69 Cb -0.15 -1.38 0.05 0.00 -0.11 0.00 0.00 41.96 40.37 1ict s TYR 69 CO 0.08 0.31 -0.12 0.21 -1.11 0.00 0.00 175.55 174.92 1ict s LYS 70 N -1.78 2.27 -0.37 -0.62 2.20 0.30 -1.08 119.74 120.66 1ict s LYS 70 Ca 0.16 -1.14 -0.14 0.00 -0.36 0.00 0.00 55.97 54.49 1ict s LYS 70 Cb -0.10 -2.72 -0.00 0.00 -1.51 0.00 0.00 37.83 33.49 1ict s LYS 70 CO 0.07 -0.49 0.28 0.08 -0.36 0.00 0.00 175.35 174.93 1ict s VAL 71 N 1.21 5.26 -0.41 4.02 1.01 0.79 0.23 120.40 132.51 1ict s VAL 71 Ca -0.05 -0.35 -0.08 0.00 0.00 0.00 0.00 61.98 61.50 1ict s VAL 71 Cb -0.18 -3.81 0.08 0.00 0.00 0.00 0.00 36.38 32.47 1ict s VAL 71 CO -0.07 -0.14 0.24 -0.70 0.00 0.00 0.00 175.10 174.43 1ict s GLU 72 N 1.75 2.50 -0.17 2.72 2.12 0.23 0.25 118.70 128.09 1ict s GLU 72 Ca 0.06 -1.52 -0.21 0.00 0.36 0.00 0.00 54.97 53.66 1ict s GLU 72 Cb -0.18 -3.72 -0.03 0.00 0.26 0.00 0.00 34.13 30.47 1ict s GLU 72 CO 0.11 -0.96 0.65 0.42 -0.54 0.00 0.00 175.26 174.93 1ict s ILE 73 N 1.37 5.03 -1.26 -3.70 1.01 0.24 -1.73 121.20 122.15 1ict s ILE 73 Ca 0.03 1.25 -0.16 0.00 0.00 0.00 0.00 60.65 61.77 1ict s ILE 73 Cb -0.23 -3.97 0.11 0.00 0.01 0.00 0.00 42.46 38.38 1ict s ILE 73 CO 0.01 0.14 1.62 -0.62 0.00 0.00 0.00 174.94 176.09 1ict s ASP 74 N 1.08 6.92 0.20 3.58 -1.08 -0.40 -0.84 116.67 126.14 1ict s ASP 74 Ca 0.31 -2.64 -0.00 0.00 -0.52 0.00 0.00 52.55 49.69 1ict s ASP 74 Cb -0.16 -2.51 0.14 0.00 -1.46 0.00 0.00 42.92 38.93 1ict s ASP 74 CO 0.12 -1.01 1.50 0.71 0.52 0.00 0.00 175.17 177.00 1ict h THR 75 N 5.24 1.36 -0.25 1.71 1.35 -1.87 -3.28 112.91 117.17 1ict h THR 75 Ca 0.39 -1.97 0.04 0.00 -0.55 0.00 0.00 66.41 64.33 1ict h THR 75 Cb 0.87 1.96 -0.04 0.00 -1.73 0.00 0.00 68.15 69.22 1ict h THR 75 CO 1.38 0.59 0.01 0.50 -0.25 0.00 0.00 175.52 177.75 1ict h LYS 76 N 0.29 0.09 -0.89 4.72 3.64 -1.73 -2.69 116.57 119.99 1ict h LYS 76 Ca -0.01 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 1ict h LYS 76 Cb 1.17 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.93 1ict h LYS 76 CO 0.11 0.06 0.52 0.77 -2.27 0.00 0.00 179.45 178.64 1ict h SER 77 N 0.09 1.09 -0.24 4.20 0.02 -1.86 -1.16 113.55 115.69 1ict h SER 77 Ca 0.12 -0.08 0.04 0.00 -0.84 0.00 0.00 61.79 61.03 1ict h SER 77 Cb 0.14 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 62.37 1ict h SER 77 CO -0.19 0.85 -0.02 0.22 -1.14 0.00 0.00 176.83 176.56 1ict h TYR 78 N 1.24 -0.04 -0.25 3.45 3.20 -1.55 -2.52 116.97 120.50 1ict h TYR 78 Ca 0.32 0.02 -0.18 0.00 3.14 0.00 0.00 58.73 62.03 1ict h TYR 78 Cb -0.02 0.05 -0.00 0.00 1.54 0.00 0.00 36.73 38.30 1ict h TYR 78 CO 0.01 -0.05 -0.56 -1.49 -1.64 0.00 0.00 178.16 174.42 1ict h TRP 79 N 0.05 0.96 -0.06 -3.82 -0.00 -1.31 -3.30 115.95 108.47 1ict h TRP 79 Ca 0.11 -0.35 0.03 0.00 -0.00 0.00 0.00 58.89 58.69 1ict h TRP 79 Cb 0.15 -0.18 -0.04 0.00 -0.00 0.00 0.00 29.16 29.10 1ict h TRP 79 CO -0.21 1.15 -0.15 0.87 -0.00 0.00 0.00 178.44 180.10 1ict h LYS 80 N 0.58 -0.22 0.00 0.49 1.79 -0.96 -1.03 116.57 117.23 1ict h LYS 80 Ca 0.01 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 1ict h LYS 80 Cb 1.15 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.85 1ict h LYS 80 CO 0.12 -0.14 0.00 0.00 -1.08 0.00 0.00 179.45 178.34 1ict h ALA 81 N 0.76 1.00 0.00 3.86 0.00 -1.57 -0.56 119.26 122.75 1ict h ALA 81 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1ict h ALA 81 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1ict h ALA 81 CO -0.19 0.00 -0.72 1.28 0.00 0.00 0.00 179.25 179.62 1ict n LEU 82 N -2.58 0.61 0.00 0.00 4.32 -0.52 -4.96 117.00 113.87 1ict n LEU 82 Ca -0.01 0.01 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 1ict n LEU 82 Cb 0.10 -0.17 0.00 0.00 -1.62 0.00 0.00 43.42 41.73 1ict n LEU 82 CO 0.16 0.07 0.00 0.61 -1.22 0.00 0.00 177.39 177.01 1ict n GLY 83 N 1.42 0.87 3.38 -0.72 0.00 -0.22 -5.10 105.19 104.82 1ict n GLY 83 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 1ict n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ict s ILE 84 N -2.00 2.97 -0.52 -0.61 1.01 -0.51 -4.99 121.20 116.55 1ict s ILE 84 Ca 0.00 -0.71 -0.21 0.00 0.00 0.00 0.00 60.65 59.73 1ict s ILE 84 Cb 0.00 -2.22 0.05 0.00 0.01 0.00 0.00 42.46 40.30 1ict s ILE 84 CO 0.00 0.54 0.73 -0.94 0.00 0.00 0.00 174.94 175.27 1ict s SER 85 N 0.11 6.26 0.90 3.58 1.04 -1.26 -2.79 113.70 121.54 1ict s SER 85 Ca -0.07 -0.72 -0.12 0.00 0.48 0.00 0.00 55.95 55.52 1ict s SER 85 Cb -0.15 -2.34 0.13 0.00 0.10 0.00 0.00 66.02 63.76 1ict s SER 85 CO 0.05 -1.00 1.14 -2.16 0.98 0.00 0.00 173.24 172.24 1ict s PRO 86 N 3.07 1.22 -0.12 4.02 0.04 -1.26 -5.01 135.00 136.97 1ict s PRO 86 Ca 0.20 0.29 -0.20 0.00 0.04 0.00 0.00 61.00 61.33 1ict s PRO 86 Cb -0.17 -1.85 -0.18 0.00 0.04 0.00 0.00 34.50 32.35 1ict s PRO 86 CO 0.14 -2.14 0.58 0.35 0.04 0.00 0.00 177.00 175.97 1ict h PHE 87 N -1.46 -0.02 -3.93 0.56 3.57 -1.67 -3.47 116.94 110.52 1ict h PHE 87 Ca -0.50 -0.00 -0.46 0.00 3.53 0.00 0.00 57.97 60.54 1ict h PHE 87 Cb 1.33 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 40.05 1ict h PHE 87 CO 0.30 0.64 0.30 -1.01 -2.23 0.00 0.00 178.31 176.32 1ict s HIS 88 N -2.19 3.48 0.04 0.41 0.09 -1.26 -4.99 115.29 110.86 1ict s HIS 88 Ca -0.13 1.62 -0.05 0.00 -0.00 0.00 0.00 55.06 56.50 1ict s HIS 88 Cb -0.02 -2.83 -0.29 0.00 -0.00 0.00 0.00 32.58 29.44 1ict s HIS 88 CO 0.48 0.05 1.00 0.93 -0.00 0.00 0.00 174.74 177.21 1ict h GLU 89 N 2.50 0.29 -1.39 1.40 4.39 -1.98 -3.37 114.58 116.41 1ict h GLU 89 Ca -0.48 -0.49 0.12 0.00 0.34 0.00 0.00 59.36 58.85 1ict h GLU 89 Cb 1.18 0.18 -0.28 0.00 -0.10 0.00 0.00 28.75 29.74 1ict h GLU 89 CO 0.63 1.19 0.63 -3.38 -1.16 0.00 0.00 179.01 176.93 1ict s HIS 90 N -2.63 -0.30 -0.26 4.33 -3.43 -1.26 -3.78 115.29 107.96 1ict s HIS 90 Ca -0.07 0.69 -0.10 0.00 -0.80 0.00 0.00 55.06 54.79 1ict s HIS 90 Cb 0.07 0.42 -0.05 0.00 -1.43 0.00 0.00 32.58 31.59 1ict s HIS 90 CO 0.88 -0.17 0.15 0.00 -2.00 0.00 0.00 174.74 173.60 1ict s ALA 91 N -0.11 3.47 0.18 -1.38 0.00 -0.02 -4.94 121.76 118.96 1ict s ALA 91 Ca 0.04 -1.01 0.11 0.00 0.00 0.00 0.00 51.96 51.09 1ict s ALA 91 Cb -0.04 -2.32 -0.04 0.00 0.00 0.00 0.00 23.12 20.72 1ict s ALA 91 CO -0.08 -0.38 -0.23 -1.83 0.00 0.00 0.00 175.76 173.24 1ict s GLU 92 N 1.43 1.44 -0.20 0.00 1.03 -1.26 0.81 118.70 121.94 1ict s GLU 92 Ca 0.07 -1.47 -0.00 0.00 0.03 0.00 0.00 54.97 53.59 1ict s GLU 92 Cb -0.15 -1.70 0.05 0.00 -0.80 0.00 0.00 34.13 31.53 1ict s GLU 92 CO 0.07 0.37 -0.05 0.08 -1.33 0.00 0.00 175.26 174.40 1ict s VAL 93 N -1.71 1.28 -0.29 1.83 1.01 0.14 -4.95 120.40 117.70 1ict s VAL 93 Ca 0.19 -0.89 -0.07 0.00 0.00 0.00 0.00 61.98 61.20 1ict s VAL 93 Cb -0.08 -1.51 0.00 0.00 0.00 0.00 0.00 36.38 34.80 1ict s VAL 93 CO 0.09 0.01 0.08 -0.69 0.00 0.00 0.00 175.10 174.59 1ict s VAL 94 N 1.54 4.01 0.21 2.92 1.01 -1.26 -0.15 120.40 128.68 1ict s VAL 94 Ca -0.02 -0.62 -0.01 0.00 0.00 0.00 0.00 61.98 61.34 1ict s VAL 94 Cb -0.17 -3.04 -0.04 0.00 0.00 0.00 0.00 36.38 33.13 1ict s VAL 94 CO -0.07 0.12 0.13 0.72 0.00 0.00 0.00 175.10 176.00 1ict s PHE 95 N 1.52 1.22 -0.36 5.22 -0.71 -0.24 -4.98 117.98 119.64 1ict s PHE 95 Ca 0.03 -1.36 -0.10 0.00 -1.04 0.00 0.00 56.93 54.46 1ict s PHE 95 Cb -0.17 -0.61 0.02 0.00 -1.21 0.00 0.00 43.02 41.06 1ict s PHE 95 CO 0.02 -0.60 0.18 0.99 -1.34 0.00 0.00 175.22 174.48 1ict s THR 96 N -4.10 4.48 0.05 -4.49 2.01 -1.26 -0.94 115.64 111.39 1ict s THR 96 Ca 0.39 -0.81 0.03 0.00 0.31 0.00 0.00 61.69 61.60 1ict s THR 96 Cb 0.07 -3.47 -0.04 0.00 0.01 0.00 0.00 72.50 69.08 1ict s THR 96 CO 0.12 -0.17 0.04 0.00 -0.69 0.00 0.00 174.62 173.92 1ict s ALA 97 N 1.55 3.44 0.00 7.40 0.00 -0.10 -4.67 121.76 129.38 1ict s ALA 97 Ca 0.02 -1.01 0.00 0.00 0.00 0.00 0.00 51.96 50.97 1ict s ALA 97 Cb -0.19 -1.38 0.00 0.00 0.00 0.00 0.00 23.12 21.56 1ict s ALA 97 CO 0.06 0.71 0.00 0.09 0.00 0.00 0.00 175.76 176.62 1ict n ASN 98 N 0.77 -2.58 -3.44 0.00 3.02 -1.26 -1.89 115.26 109.88 1ict n ASN 98 Ca -0.11 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.04 1ict n ASN 98 Cb 0.52 -2.59 -0.01 0.00 -0.61 0.00 0.00 39.78 37.08 1ict n ASN 98 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1ict n ASP 99 N -0.20 8.13 0.00 6.41 8.00 -1.26 -2.72 116.55 134.91 1ict n ASP 99 Ca 0.00 -2.97 0.00 0.00 0.71 0.00 0.00 54.79 52.53 1ict n ASP 99 Cb 0.21 -1.43 0.00 0.00 -0.02 0.00 0.00 41.12 39.89 1ict n ASP 99 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1ict n SER 100 N 2.37 0.00 0.00 -2.24 2.88 -1.26 -5.11 113.62 110.26 1ict n SER 100 Ca 0.67 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.21 1ict n SER 100 Cb 0.25 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.71 1ict n SER 100 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ict n GLY 101 N 0.00 2.83 3.68 0.46 0.00 -1.10 -5.00 105.19 106.06 1ict n GLY 101 Ca 0.00 -1.66 -0.47 0.00 0.00 0.00 0.00 46.02 43.89 1ict n GLY 101 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ict n PRO 102 N 0.68 2.31 -4.37 1.61 -0.02 -1.26 -4.55 135.00 129.39 1ict n PRO 102 Ca 0.00 0.85 -0.22 0.00 -2.02 0.00 0.00 63.50 62.10 1ict n PRO 102 Cb 0.00 -2.71 -0.11 0.00 -0.02 0.00 0.00 33.50 30.66 1ict n PRO 102 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1ict s ARG 103 N 4.10 1.40 -0.26 -0.52 3.00 -1.26 -4.38 118.95 121.03 1ict s ARG 103 Ca 0.92 -1.53 -0.09 0.00 0.00 0.00 0.00 55.73 55.03 1ict s ARG 103 Cb -0.65 -1.44 -0.04 0.00 0.00 0.00 0.00 34.95 32.83 1ict s ARG 103 CO 0.50 0.28 0.11 1.03 0.00 0.00 0.00 175.30 177.22 1ict s ARG 104 N -3.10 3.75 -0.09 3.54 0.52 0.14 -4.80 118.95 118.90 1ict s ARG 104 Ca 0.21 -0.43 -0.02 0.00 -0.52 0.00 0.00 55.73 54.97 1ict s ARG 104 Cb -0.05 -3.44 -0.03 0.00 0.52 0.00 0.00 34.95 31.95 1ict s ARG 104 CO 0.09 -0.19 -0.02 0.71 0.02 0.00 0.00 175.30 175.91 1ict s TYR 105 N 1.66 3.08 -0.17 -0.53 1.51 -0.39 -0.40 117.35 122.12 1ict s TYR 105 Ca 0.07 0.08 0.01 0.00 -1.01 0.00 0.00 57.07 56.21 1ict s TYR 105 Cb -0.15 -1.80 0.03 0.00 -0.11 0.00 0.00 41.96 39.92 1ict s TYR 105 CO 0.06 0.36 -0.14 0.99 -1.11 0.00 0.00 175.55 175.70 1ict s THR 106 N -0.66 1.68 -0.40 -0.71 2.01 -0.96 -2.86 115.64 113.74 1ict s THR 106 Ca 0.10 -0.78 -0.09 0.00 0.31 0.00 0.00 61.69 61.24 1ict s THR 106 Cb -0.12 -1.61 0.06 0.00 0.01 0.00 0.00 72.50 70.85 1ict s THR 106 CO 0.02 0.41 0.22 -0.63 -0.69 0.00 0.00 174.62 173.95 1ict s ILE 107 N 1.43 4.21 0.03 1.82 -1.09 -0.91 -1.27 121.20 125.41 1ict s ILE 107 Ca 0.04 -1.26 -0.01 0.00 -2.23 0.00 0.00 60.65 57.18 1ict s ILE 107 Cb -0.14 -3.51 -0.04 0.00 -1.58 0.00 0.00 42.46 37.20 1ict s ILE 107 CO -0.11 -0.41 0.20 0.00 -1.23 0.00 0.00 174.94 173.40 1ict s ALA 108 N 1.44 3.98 -0.08 9.38 0.00 -0.29 -1.33 121.76 134.86 1ict s ALA 108 Ca 0.02 -0.80 -0.04 0.00 0.00 0.00 0.00 51.96 51.14 1ict s ALA 108 Cb -0.22 -1.86 0.04 0.00 0.00 0.00 0.00 23.12 21.09 1ict s ALA 108 CO 0.03 0.79 0.19 0.00 0.00 0.00 0.00 175.76 176.77 1ict s ALA 109 N -1.42 -0.39 -0.29 0.00 0.00 -0.55 -1.83 121.76 117.28 1ict s ALA 109 Ca 0.31 0.81 -0.09 0.00 0.00 0.00 0.00 51.96 53.00 1ict s ALA 109 Cb -0.13 -0.56 -0.01 0.00 0.00 0.00 0.00 23.12 22.43 1ict s ALA 109 CO 0.23 -0.20 0.12 -1.17 0.00 0.00 0.00 175.76 174.75 1ict s LEU 110 N 1.28 3.92 -0.08 0.00 2.96 -0.59 -1.32 118.68 124.86 1ict s LEU 110 Ca -0.09 -0.47 -0.07 0.00 -0.22 0.00 0.00 54.13 53.29 1ict s LEU 110 Cb -0.11 -1.97 -0.04 0.00 0.50 0.00 0.00 46.19 44.57 1ict s LEU 110 CO -0.07 -0.15 0.18 -0.76 -1.32 0.00 0.00 176.35 174.22 1ict s LEU 111 N 1.60 4.39 0.02 -0.68 1.43 -0.03 -1.25 118.68 124.16 1ict s LEU 111 Ca 0.05 0.50 -0.07 0.00 -1.03 0.00 0.00 54.13 53.58 1ict s LEU 111 Cb -0.17 -2.26 -0.00 0.00 0.03 0.00 0.00 46.19 43.80 1ict s LEU 111 CO 0.05 0.36 0.12 -0.44 0.23 0.00 0.00 176.35 176.68 1ict s SER 112 N -1.25 0.08 0.35 2.29 0.01 0.54 -1.17 113.70 114.55 1ict s SER 112 Ca 0.19 -0.33 0.05 0.00 1.31 0.00 0.00 55.95 57.17 1ict s SER 112 Cb -0.13 0.21 0.70 0.00 0.21 0.00 0.00 66.02 67.01 1ict s SER 112 CO 0.08 -0.42 1.96 1.55 0.41 0.00 0.00 173.24 176.82 1ict h PRO 113 N 4.05 0.79 -0.32 12.44 0.13 -1.98 -2.99 132.00 144.12 1ict h PRO 113 Ca -0.31 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 1ict h PRO 113 Cb 1.19 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 32.14 1ict h PRO 113 CO 0.44 0.52 0.00 0.66 -0.23 0.00 0.00 178.00 179.39 1ict n TYR 114 N -4.48 0.52 -3.53 1.56 4.02 -1.26 -1.63 117.16 112.36 1ict n TYR 114 Ca 0.11 -0.56 -0.16 0.00 -0.01 0.00 0.00 57.90 57.27 1ict n TYR 114 Cb 0.20 -0.07 -0.06 0.00 -0.02 0.00 0.00 39.34 39.39 1ict n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1ict s SER 115 N -1.16 -0.58 -0.21 7.72 0.15 -1.13 -4.96 113.70 113.54 1ict s SER 115 Ca 0.25 0.48 -0.17 0.00 0.70 0.00 0.00 55.95 57.21 1ict s SER 115 Cb 0.15 0.52 0.06 0.00 -1.71 0.00 0.00 66.02 65.04 1ict s SER 115 CO 0.14 -0.67 0.55 -0.72 1.20 0.00 0.00 173.24 173.74 1ict s TYR 116 N -1.77 -0.66 0.20 3.44 -0.85 -1.26 -0.34 117.35 116.11 1ict s TYR 116 Ca -0.09 1.53 0.09 0.00 -0.52 0.00 0.00 57.07 58.08 1ict s TYR 116 Cb -0.01 0.27 -0.04 0.00 0.38 0.00 0.00 41.96 42.56 1ict s TYR 116 CO 0.04 -0.33 -0.07 0.45 -1.52 0.00 0.00 175.55 174.12 1ict s SER 117 N 0.64 4.32 -0.21 -0.18 0.15 -0.38 -4.96 113.70 113.08 1ict s SER 117 Ca -0.03 -0.59 -0.07 0.00 0.70 0.00 0.00 55.95 55.96 1ict s SER 117 Cb -0.05 -0.75 0.10 0.00 -1.71 0.00 0.00 66.02 63.61 1ict s SER 117 CO -0.04 0.08 0.45 0.28 1.20 0.00 0.00 173.24 175.22 1ict s THR 118 N -1.84 -0.70 0.24 6.45 -1.32 -1.26 -1.54 115.64 115.67 1ict s THR 118 Ca 0.26 0.14 0.11 0.00 -1.21 0.00 0.00 61.69 61.00 1ict s THR 118 Cb -0.08 -0.72 -0.05 0.00 -1.51 0.00 0.00 72.50 70.14 1ict s THR 118 CO 0.16 0.06 -0.20 0.28 -2.21 0.00 0.00 174.62 172.71 1ict s THR 119 N 2.64 2.31 0.11 5.08 -1.32 -0.76 -5.00 115.64 118.71 1ict s THR 119 Ca -0.02 -2.25 0.06 0.00 -1.21 0.00 0.00 61.69 58.27 1ict s THR 119 Cb -0.12 -2.19 -0.03 0.00 -1.51 0.00 0.00 72.50 68.64 1ict s THR 119 CO -0.14 -0.34 -0.16 0.00 -2.21 0.00 0.00 174.62 171.77 1ict s ALA 120 N -2.31 1.52 -0.27 11.08 0.00 -1.26 -1.13 121.76 129.39 1ict s ALA 120 Ca 0.26 -1.21 -0.01 0.00 0.00 0.00 0.00 51.96 50.99 1ict s ALA 120 Cb -0.05 -0.14 0.09 0.00 0.00 0.00 0.00 23.12 23.02 1ict s ALA 120 CO 0.12 0.20 0.07 0.08 0.00 0.00 0.00 175.76 176.23 1ict s VAL 121 N -1.62 0.81 -0.32 0.00 1.01 -0.40 -4.98 120.40 114.90 1ict s VAL 121 Ca 0.06 -1.14 -0.21 0.00 0.00 0.00 0.00 61.98 60.68 1ict s VAL 121 Cb -0.08 -1.49 -0.00 0.00 0.00 0.00 0.00 36.38 34.81 1ict s VAL 121 CO 0.03 -0.50 0.69 -0.69 0.00 0.00 0.00 175.10 174.63 1ict s VAL 122 N 1.68 4.87 0.01 2.92 1.01 -1.26 -2.26 120.40 127.37 1ict s VAL 122 Ca 0.05 0.92 0.05 0.00 0.00 0.00 0.00 61.98 63.01 1ict s VAL 122 Cb -0.17 -4.07 -0.03 0.00 0.00 0.00 0.00 36.38 32.10 1ict s VAL 122 CO -0.19 -0.22 -0.14 0.42 0.00 0.00 0.00 175.10 174.96 1ict s THR 123 N 2.77 3.09 -0.18 3.92 -4.23 0.47 -4.96 115.64 116.51 1ict s THR 123 Ca 0.28 -0.98 -0.09 0.00 -1.18 0.00 0.00 61.69 59.72 1ict s THR 123 Cb -0.14 -2.30 -0.05 0.00 1.34 0.00 0.00 72.50 71.35 1ict s THR 123 CO 0.13 0.40 0.13 0.21 -0.54 0.00 0.00 174.62 174.95 1ict s ASN 124 N -1.29 6.24 0.00 3.99 3.84 -1.26 0.24 114.94 126.69 1ict s ASN 124 Ca 0.15 0.29 0.06 0.00 0.21 0.00 0.00 52.86 53.57 1ict s ASN 124 Cb -0.11 -2.08 0.38 0.00 -0.55 0.00 0.00 41.25 38.89 1ict s ASN 124 CO 0.05 0.24 0.84 -2.65 -2.79 0.00 0.00 177.10 172.80