#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ict h PRO 11 N 0.00 0.00 -2.54 0.00 0.11 -1.90 -3.41 132.00 124.26 1ict h PRO 11 Ca 0.00 0.00 -0.39 0.00 0.11 0.00 0.00 66.00 65.72 1ict h PRO 11 Cb 0.00 0.00 -0.37 0.00 0.11 0.00 0.00 31.00 30.74 1ict h PRO 11 CO 0.00 0.00 -0.68 -1.17 -0.21 0.00 0.00 178.00 175.94 1ict s LEU 12 N -8.62 0.08 0.14 2.35 2.96 -1.26 -0.75 118.68 113.58 1ict s LEU 12 Ca -0.05 -0.71 0.04 0.00 -0.22 0.00 0.00 54.13 53.18 1ict s LEU 12 Cb 0.16 0.15 -0.04 0.00 0.50 0.00 0.00 46.19 46.97 1ict s LEU 12 CO 0.63 -0.38 0.16 -0.32 -1.32 0.00 0.00 176.35 175.13 1ict s MET 13 N 2.26 3.06 -0.02 1.98 -2.45 -0.72 -4.45 119.30 118.96 1ict s MET 13 Ca 0.08 -0.74 0.02 0.00 -1.25 0.00 0.00 55.69 53.80 1ict s MET 13 Cb -0.15 -2.77 0.00 0.00 1.25 0.00 0.00 34.83 33.16 1ict s MET 13 CO -0.25 0.52 -0.06 0.08 1.05 0.00 0.00 175.02 176.36 1ict s VAL 14 N -1.66 0.56 -0.01 10.11 1.01 -1.15 -2.54 120.40 126.73 1ict s VAL 14 Ca 0.32 -0.26 0.04 0.00 0.00 0.00 0.00 61.98 62.08 1ict s VAL 14 Cb -0.11 -0.50 -0.01 0.00 0.00 0.00 0.00 36.38 35.76 1ict s VAL 14 CO 0.25 0.18 -0.13 -0.75 0.00 0.00 0.00 175.10 174.64 1ict s LYS 15 N 0.13 1.05 -0.03 2.72 2.20 -0.44 -1.32 119.74 124.05 1ict s LYS 15 Ca -0.01 -0.47 0.02 0.00 -0.36 0.00 0.00 55.97 55.14 1ict s LYS 15 Cb -0.06 -1.02 0.01 0.00 -1.51 0.00 0.00 37.83 35.25 1ict s LYS 15 CO -0.00 0.28 -0.06 0.08 -0.36 0.00 0.00 175.35 175.29 1ict s VAL 16 N -0.32 0.56 -0.09 4.02 1.01 -0.81 -1.60 120.40 123.16 1ict s VAL 16 Ca 0.05 -0.19 0.01 0.00 0.00 0.00 0.00 61.98 61.85 1ict s VAL 16 Cb -0.05 -0.55 0.02 0.00 0.00 0.00 0.00 36.38 35.80 1ict s VAL 16 CO -0.00 0.21 -0.12 -0.76 0.00 0.00 0.00 175.10 174.43 1ict s LEU 17 N 0.54 1.52 -0.10 3.92 1.43 -0.54 -1.63 118.68 123.82 1ict s LEU 17 Ca -0.07 -0.34 -0.30 0.00 -1.03 0.00 0.00 54.13 52.39 1ict s LEU 17 Cb -0.11 -0.91 -0.03 0.00 0.03 0.00 0.00 46.19 45.18 1ict s LEU 17 CO 0.00 -0.02 1.26 -0.62 0.23 0.00 0.00 176.35 177.19 1ict s ASP 18 N 1.11 6.98 0.09 2.29 -1.08 0.16 -1.19 116.67 125.04 1ict s ASP 18 Ca -0.06 1.79 0.25 0.00 -0.52 0.00 0.00 52.55 54.01 1ict s ASP 18 Cb -0.14 -2.55 0.44 0.00 -1.46 0.00 0.00 42.92 39.20 1ict s ASP 18 CO -0.02 -0.68 1.38 0.00 0.52 0.00 0.00 175.17 176.37 1ict n ALA 19 N 5.91 3.00 -0.06 3.66 0.00 -0.20 -1.94 120.51 130.88 1ict n ALA 19 Ca 0.13 -0.25 -0.12 0.00 0.00 0.00 0.00 53.44 53.19 1ict n ALA 19 Cb 0.45 -1.19 -0.11 0.00 0.00 0.00 0.00 19.45 18.61 1ict n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1ict h VAL 20 N 0.00 1.52 -0.02 0.00 2.07 -1.91 -3.36 116.25 114.55 1ict h VAL 20 Ca 0.00 -2.03 0.00 0.00 0.82 0.00 0.00 66.70 65.49 1ict h VAL 20 Cb 0.68 2.83 0.00 0.00 -1.52 0.00 0.00 31.29 33.28 1ict h VAL 20 CO 0.00 0.50 -0.04 0.54 0.02 0.00 0.00 177.57 178.58 1ict n ARG 21 N -4.67 1.99 -3.50 1.57 1.74 -1.26 -4.98 116.66 107.55 1ict n ARG 21 Ca -0.09 -1.51 -0.22 0.00 -0.77 0.00 0.00 57.85 55.26 1ict n ARG 21 Cb 0.40 -1.47 0.05 0.00 -1.02 0.00 0.00 32.46 30.42 1ict n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ict n GLY 22 N 1.30 -0.87 3.52 -0.13 0.00 -0.82 -5.00 105.19 103.19 1ict n GLY 22 Ca 0.15 0.41 -0.12 0.00 0.00 0.00 0.00 46.02 46.47 1ict n GLY 22 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ict s SER 23 N -3.69 0.36 0.28 1.61 0.01 -0.93 -4.99 113.70 106.35 1ict s SER 23 Ca 0.34 -1.22 -0.29 0.00 1.31 0.00 0.00 55.95 56.08 1ict s SER 23 Cb -0.08 0.61 -0.10 0.00 0.21 0.00 0.00 66.02 66.67 1ict s SER 23 CO 0.80 -1.21 1.16 -2.84 0.41 0.00 0.00 173.24 171.56 1ict s PRO 24 N -3.53 4.56 -1.03 12.44 0.02 -1.26 0.40 135.00 146.60 1ict s PRO 24 Ca 0.27 1.91 -0.23 0.00 0.02 0.00 0.00 61.00 62.97 1ict s PRO 24 Cb -0.00 -3.17 0.04 0.00 0.02 0.00 0.00 34.50 31.40 1ict s PRO 24 CO 0.14 0.09 1.50 0.00 -0.33 0.00 0.00 177.00 178.40 1ict s ALA 25 N -1.04 2.67 0.31 -1.55 0.00 -0.65 -4.63 121.76 116.88 1ict s ALA 25 Ca 0.46 -2.24 -0.29 0.00 0.00 0.00 0.00 51.96 49.89 1ict s ALA 25 Cb -0.34 -4.54 -0.10 0.00 0.00 0.00 0.00 23.12 18.14 1ict s ALA 25 CO 0.43 -3.69 1.40 0.42 0.00 0.00 0.00 175.76 174.33 1ict s ILE 26 N 5.31 2.52 -1.44 0.00 -1.09 -1.26 -3.84 121.20 121.39 1ict s ILE 26 Ca 0.48 0.49 -0.10 0.00 -2.23 0.00 0.00 60.65 59.29 1ict s ILE 26 Cb -0.00 -3.31 0.04 0.00 -1.58 0.00 0.00 42.46 37.60 1ict s ILE 26 CO -0.08 0.10 1.03 -3.20 -1.23 0.00 0.00 174.94 171.56 1ict n ASN 27 N 1.30 -5.77 -4.74 3.58 5.15 -0.89 -4.97 115.26 108.91 1ict n ASN 27 Ca 0.03 -0.58 -0.39 0.00 -0.60 0.00 0.00 54.58 53.04 1ict n ASN 27 Cb 0.40 -4.58 -0.06 0.00 -0.53 0.00 0.00 39.78 35.02 1ict n ASN 27 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1ict s VAL 28 N -3.28 5.04 0.04 3.44 1.01 -1.25 -4.76 120.40 120.64 1ict s VAL 28 Ca 0.58 1.16 -0.30 0.00 0.00 0.00 0.00 61.98 63.41 1ict s VAL 28 Cb -0.27 -3.90 -0.06 0.00 0.00 0.00 0.00 36.38 32.15 1ict s VAL 28 CO 0.71 0.36 1.39 0.00 0.00 0.00 0.00 175.10 177.57 1ict s ALA 29 N 0.25 3.57 -0.10 5.51 0.00 -1.26 -2.23 121.76 127.50 1ict s ALA 29 Ca 0.30 0.95 0.02 0.00 0.00 0.00 0.00 51.96 53.23 1ict s ALA 29 Cb -0.17 -3.57 0.01 0.00 0.00 0.00 0.00 23.12 19.39 1ict s ALA 29 CO 0.15 -0.81 -0.18 0.08 0.00 0.00 0.00 175.76 175.00 1ict s VAL 30 N 1.99 1.64 -0.22 0.00 1.01 -0.70 -1.67 120.40 122.46 1ict s VAL 30 Ca 0.64 -0.75 0.01 0.00 0.00 0.00 0.00 61.98 61.88 1ict s VAL 30 Cb -0.33 -1.47 0.05 0.00 0.00 0.00 0.00 36.38 34.64 1ict s VAL 30 CO 0.28 0.47 -0.07 -1.00 0.00 0.00 0.00 175.10 174.78 1ict s HIS 31 N 0.76 2.31 0.37 5.22 3.76 -0.05 -1.66 115.29 126.00 1ict s HIS 31 Ca -0.11 -1.62 -0.12 0.00 -0.15 0.00 0.00 55.06 53.06 1ict s HIS 31 Cb -0.16 -1.56 -0.07 0.00 1.11 0.00 0.00 32.58 31.90 1ict s HIS 31 CO 0.02 -0.75 0.74 0.08 -0.85 0.00 0.00 174.74 173.98 1ict s VAL 32 N 1.43 4.76 0.33 -0.90 1.01 -0.39 -0.83 120.40 125.81 1ict s VAL 32 Ca -0.04 0.71 0.07 0.00 0.00 0.00 0.00 61.98 62.72 1ict s VAL 32 Cb -0.18 -3.68 -0.03 0.00 0.00 0.00 0.00 36.38 32.49 1ict s VAL 32 CO -0.07 -0.38 0.29 -0.36 0.00 0.00 0.00 175.10 174.58 1ict s PHE 33 N -2.21 1.75 -0.29 5.22 0.40 0.30 -2.90 117.98 120.26 1ict s PHE 33 Ca 0.52 -1.66 -0.15 0.00 -0.60 0.00 0.00 56.93 55.04 1ict s PHE 33 Cb -0.10 -0.70 0.10 0.00 0.51 0.00 0.00 43.02 42.83 1ict s PHE 33 CO 0.26 -0.89 0.73 0.50 0.70 0.00 0.00 175.22 176.52 1ict s ARG 34 N -3.41 0.63 -0.10 0.44 3.52 -0.33 -2.88 118.95 116.83 1ict s ARG 34 Ca 0.40 1.19 -0.29 0.00 -0.13 0.00 0.00 55.73 56.90 1ict s ARG 34 Cb 0.02 0.28 -0.05 0.00 -1.56 0.00 0.00 34.95 33.64 1ict s ARG 34 CO 0.28 -0.15 1.73 0.15 -0.81 0.00 0.00 175.30 176.50 1ict s LYS 35 N 1.87 3.98 0.88 5.12 1.02 -0.35 -1.54 119.74 130.72 1ict s LYS 35 Ca -0.09 2.09 -0.12 0.00 0.02 0.00 0.00 55.97 57.87 1ict s LYS 35 Cb -0.06 -4.06 0.12 0.00 -0.52 0.00 0.00 37.83 33.31 1ict s LYS 35 CO -0.19 -1.09 1.13 0.00 -0.92 0.00 0.00 175.35 174.28 1ict s ALA 36 N 4.76 1.93 -0.88 5.17 0.00 0.31 -4.65 121.76 128.41 1ict s ALA 36 Ca 0.77 -0.47 0.18 0.00 0.00 0.00 0.00 51.96 52.44 1ict s ALA 36 Cb -0.32 -3.04 0.75 0.00 0.00 0.00 0.00 23.12 20.51 1ict s ALA 36 CO 0.31 -2.12 1.56 0.00 0.00 0.00 0.00 175.76 175.51 1ict n ALA 37 N -3.66 1.73 1.66 0.00 0.00 -1.26 -2.04 120.51 116.94 1ict n ALA 37 Ca 0.07 -0.02 0.10 0.00 0.00 0.00 0.00 53.44 53.59 1ict n ALA 37 Cb 0.59 -1.29 0.50 0.00 0.00 0.00 0.00 19.45 19.24 1ict n ALA 37 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1ict n ASP 38 N -1.68 0.75 -2.76 0.00 -0.08 -1.26 -4.93 116.55 106.59 1ict n ASP 38 Ca 0.04 -1.52 -0.08 0.00 -1.51 0.00 0.00 54.79 51.71 1ict n ASP 38 Cb 0.20 -0.04 0.04 0.00 2.34 0.00 0.00 41.12 43.66 1ict n ASP 38 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1ict n ASP 39 N -0.30 -5.65 -3.62 1.67 2.03 -0.86 -5.06 116.55 104.76 1ict n ASP 39 Ca 0.16 -0.41 -0.04 0.00 0.52 0.00 0.00 54.79 55.02 1ict n ASP 39 Cb 0.19 -4.03 -0.02 0.00 -0.72 0.00 0.00 41.12 36.54 1ict n ASP 39 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1ict s THR 40 N -3.22 0.00 -0.73 5.18 -4.23 -1.26 -4.95 115.64 106.44 1ict s THR 40 Ca 0.26 -0.27 -0.26 0.00 -1.18 0.00 0.00 61.69 60.23 1ict s THR 40 Cb -0.03 -1.52 0.04 0.00 1.34 0.00 0.00 72.50 72.33 1ict s THR 40 CO 0.55 0.00 1.22 0.26 -0.54 0.00 0.00 174.62 176.11 1ict s TRP 41 N -2.96 2.36 -0.15 3.99 0.23 -1.26 -0.53 118.94 120.62 1ict s TRP 41 Ca 0.10 -0.16 -0.06 0.00 -2.03 0.00 0.00 56.10 53.95 1ict s TRP 41 Cb -0.00 -4.57 -0.04 0.00 0.03 0.00 0.00 33.47 28.89 1ict s TRP 41 CO -0.04 -2.00 0.07 -2.00 0.96 0.00 0.00 176.95 173.95 1ict s GLU 42 N 5.41 3.69 0.20 4.98 2.12 -0.59 -4.92 118.70 129.60 1ict s GLU 42 Ca 0.33 -0.30 -0.33 0.00 0.36 0.00 0.00 54.97 55.04 1ict s GLU 42 Cb -0.10 -3.15 -0.14 0.00 0.26 0.00 0.00 34.13 31.01 1ict s GLU 42 CO 0.14 0.47 1.42 -2.30 -0.54 0.00 0.00 175.26 174.45 1ict n PRO 43 N 2.92 1.90 0.01 4.30 -0.02 -1.26 -1.18 135.00 141.66 1ict n PRO 43 Ca -0.18 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 1ict n PRO 43 Cb 0.53 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 1ict n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1ict n PHE 44 N 2.33 -0.02 -3.98 6.00 7.35 -1.14 -4.83 117.46 123.17 1ict n PHE 44 Ca 0.14 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.74 1ict n PHE 44 Cb 0.29 0.03 -0.05 0.00 0.35 0.00 0.00 39.48 40.10 1ict n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1ict s ALA 45 N -2.00 -0.23 -0.28 3.13 0.00 -1.19 -5.00 121.76 116.19 1ict s ALA 45 Ca 0.00 -0.85 -0.22 0.00 0.00 0.00 0.00 51.96 50.90 1ict s ALA 45 Cb 0.00 1.04 0.11 0.00 0.00 0.00 0.00 23.12 24.26 1ict s ALA 45 CO 0.00 -0.82 0.87 0.45 0.00 0.00 0.00 175.76 176.27 1ict s SER 46 N -3.00 -0.63 0.03 0.00 0.15 -1.26 -1.27 113.70 107.71 1ict s SER 46 Ca 0.21 1.13 -0.01 0.00 0.70 0.00 0.00 55.95 57.98 1ict s SER 46 Cb -0.00 1.19 0.00 0.00 -1.71 0.00 0.00 66.02 65.51 1ict s SER 46 CO 0.07 -0.19 0.06 0.61 1.20 0.00 0.00 173.24 175.00 1ict n GLY 47 N 3.03 1.78 2.79 9.45 0.00 -0.67 -5.03 105.19 116.54 1ict n GLY 47 Ca -0.15 -1.01 -0.14 0.00 0.00 0.00 0.00 46.02 44.71 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 -2.01 -0.03 0.34 1.61 1.02 -1.26 -1.72 119.74 117.69 1ict s LYS 48 Ca 0.01 0.16 -0.28 0.00 0.02 0.00 0.00 55.97 55.88 1ict s LYS 48 Cb -0.00 -0.20 -0.12 0.00 -0.52 0.00 0.00 37.83 36.98 1ict s LYS 48 CO 0.01 -0.14 1.26 0.25 -0.92 0.00 0.00 175.35 175.80 1ict n THR 49 N 3.99 2.01 -0.03 2.17 -2.24 -0.95 -4.85 114.28 114.38 1ict n THR 49 Ca -0.25 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.03 1ict n THR 49 Cb 0.52 -1.50 0.00 0.00 -2.10 0.00 0.00 70.33 67.25 1ict n THR 49 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1ict n SER 50 N 0.80 -0.03 0.03 3.42 3.41 0.95 -2.09 113.62 120.10 1ict n SER 50 Ca 0.05 -0.03 -0.16 0.00 -0.26 0.00 0.00 58.87 58.47 1ict n SER 50 Cb 0.36 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.25 1ict n SER 50 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1ict h GLU 51 N 0.00 0.62 -0.00 4.33 4.81 -1.95 -2.99 114.58 119.40 1ict h GLU 51 Ca 0.00 -0.58 0.00 0.00 -0.13 0.00 0.00 59.36 58.65 1ict h GLU 51 Cb 0.00 0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.53 1ict h GLU 51 CO 0.00 1.20 -0.00 0.45 -0.73 0.00 0.00 179.01 179.92 1ict n SER 52 N -3.85 0.01 0.00 1.04 2.88 -1.26 -4.73 113.62 107.71 1ict n SER 52 Ca -0.08 0.11 0.00 0.00 -1.33 0.00 0.00 58.87 57.58 1ict n SER 52 Cb 0.80 -0.37 0.00 0.00 -0.75 0.00 0.00 64.21 63.89 1ict n SER 52 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ict n GLY 53 N 1.37 0.73 3.94 0.46 0.00 -1.13 -4.71 105.19 105.86 1ict n GLY 53 Ca 0.11 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.89 1ict n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ict s GLU 54 N -0.56 2.60 -0.29 1.61 2.02 -1.26 -1.92 118.70 120.89 1ict s GLU 54 Ca 0.00 -0.39 0.01 0.00 0.02 0.00 0.00 54.97 54.60 1ict s GLU 54 Cb 0.00 -2.35 0.15 0.00 0.10 0.00 0.00 34.13 32.03 1ict s GLU 54 CO 0.00 -0.81 0.34 -1.17 0.02 0.00 0.00 175.26 173.65 1ict s LEU 55 N -4.93 -0.44 0.33 1.80 2.96 -0.43 -0.04 118.68 117.92 1ict s LEU 55 Ca 0.56 -0.66 0.07 0.00 -0.22 0.00 0.00 54.13 53.88 1ict s LEU 55 Cb -0.10 0.74 -0.02 0.00 0.50 0.00 0.00 46.19 47.31 1ict s LEU 55 CO 0.42 -0.37 0.36 -1.00 -1.32 0.00 0.00 176.35 174.44 1ict s HIS 56 N 2.38 3.01 -1.14 5.38 3.76 -1.26 -2.94 115.29 124.49 1ict s HIS 56 Ca 0.10 -0.25 -0.03 0.00 -0.15 0.00 0.00 55.06 54.73 1ict s HIS 56 Cb -0.13 -1.85 0.00 0.00 1.11 0.00 0.00 32.58 31.71 1ict s HIS 56 CO -0.30 0.14 0.34 0.41 -0.85 0.00 0.00 174.74 174.47 1ict n GLY 57 N -1.47 -0.18 0.17 -2.22 0.00 -1.26 -4.92 105.19 95.31 1ict n GLY 57 Ca -0.02 -0.17 -0.07 0.00 0.00 0.00 0.00 46.02 45.77 1ict n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ict h LEU 58 N -0.78 0.36 -8.18 0.99 3.38 -1.83 -3.47 115.31 105.78 1ict h LEU 58 Ca -0.37 -0.22 -0.11 0.00 0.09 0.00 0.00 57.88 57.27 1ict h LEU 58 Cb 1.26 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.88 1ict h LEU 58 CO 0.41 0.92 0.12 0.28 0.09 0.00 0.00 178.44 180.26 1ict s THR 59 N -3.68 0.00 0.08 0.22 -1.32 -1.26 -4.72 115.64 104.96 1ict s THR 59 Ca -0.05 -1.20 0.02 0.00 -1.21 0.00 0.00 61.69 59.25 1ict s THR 59 Cb 0.11 -2.81 -0.04 0.00 -1.51 0.00 0.00 72.50 68.26 1ict s THR 59 CO 0.82 0.00 -0.07 0.42 -2.21 0.00 0.00 174.62 173.58 1ict s THR 60 N -2.53 0.63 0.05 5.08 -4.23 -1.26 -4.63 115.64 108.75 1ict s THR 60 Ca 0.20 -1.63 -0.11 0.00 -1.18 0.00 0.00 61.69 58.98 1ict s THR 60 Cb -0.04 -1.30 -0.02 0.00 1.34 0.00 0.00 72.50 72.48 1ict s THR 60 CO 0.15 -0.70 0.78 1.21 -0.54 0.00 0.00 174.62 175.51 1ict n GLU 61 N 0.49 -0.15 0.15 3.99 4.07 -1.26 -0.89 120.64 127.04 1ict n GLU 61 Ca -0.16 0.77 0.15 0.00 -0.06 0.00 0.00 57.16 57.86 1ict n GLU 61 Cb 0.59 -1.13 0.73 0.00 -0.06 0.00 0.00 31.44 31.56 1ict n GLU 61 CO 0.00 0.00 0.00 1.05 -0.06 0.00 0.00 177.13 178.12 1ict h GLU 62 N 0.00 0.00 -0.55 5.31 9.09 -2.04 -2.26 114.58 124.13 1ict h GLU 62 Ca 0.05 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.46 1ict h GLU 62 Cb 0.14 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.24 1ict h GLU 62 CO -0.32 0.00 0.00 -0.85 0.05 0.00 0.00 179.01 177.89 1ict n GLU 63 N -4.23 2.66 -2.38 1.06 0.28 -0.06 -4.63 120.64 113.34 1ict n GLU 63 Ca 0.03 -2.38 -0.40 0.00 -0.16 0.00 0.00 57.16 54.25 1ict n GLU 63 Cb 0.35 -1.46 0.01 0.00 1.43 0.00 0.00 31.44 31.77 1ict n GLU 63 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1ict n PHE 64 N 1.27 2.71 -0.69 -1.84 7.35 -0.85 -4.89 117.46 120.52 1ict n PHE 64 Ca 0.19 -2.56 -0.29 0.00 -0.76 0.00 0.00 57.45 54.03 1ict n PHE 64 Cb 0.55 -1.34 0.21 0.00 0.35 0.00 0.00 39.48 39.25 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 -3.68 2.13 0.24 -2.13 -7.23 -1.26 -4.92 120.40 103.55 1ict s VAL 65 Ca 0.44 0.04 -0.30 0.00 -1.81 0.00 0.00 61.98 60.36 1ict s VAL 65 Cb 0.23 -2.15 -0.09 0.00 0.56 0.00 0.00 36.38 34.93 1ict s VAL 65 CO -0.16 -0.05 1.20 -0.70 -0.31 0.00 0.00 175.10 175.08 1ict s GLU 66 N -4.59 4.50 0.00 4.82 -6.30 -1.26 -4.84 118.70 111.03 1ict s GLU 66 Ca 0.67 1.93 0.00 0.00 -2.50 0.00 0.00 54.97 55.07 1ict s GLU 66 Cb -0.23 -3.19 0.00 0.00 0.00 0.00 0.00 34.13 30.70 1ict s GLU 66 CO 0.61 -0.04 0.00 0.41 0.02 0.00 0.00 175.26 176.26 1ict n GLY 67 N 1.72 -1.33 3.29 -1.50 0.00 -1.11 -5.02 105.19 101.24 1ict n GLY 67 Ca 0.02 -0.95 -0.40 0.00 0.00 0.00 0.00 46.02 44.69 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 -2.61 4.31 -0.02 -0.61 1.01 -1.26 -1.29 121.20 120.73 1ict s ILE 68 Ca 0.00 -1.31 -0.09 0.00 0.00 0.00 0.00 60.65 59.25 1ict s ILE 68 Cb 0.00 -3.60 -0.05 0.00 0.01 0.00 0.00 42.46 38.82 1ict s ILE 68 CO 0.00 -0.47 0.28 -0.31 0.00 0.00 0.00 174.94 174.44 1ict s TYR 69 N 1.45 3.62 -0.22 3.97 1.51 0.41 -1.21 117.35 126.88 1ict s TYR 69 Ca 0.03 0.68 0.02 0.00 -1.01 0.00 0.00 57.07 56.79 1ict s TYR 69 Cb -0.22 -2.06 0.04 0.00 -0.11 0.00 0.00 41.96 39.61 1ict s TYR 69 CO 0.03 0.64 -0.13 0.21 -1.11 0.00 0.00 175.55 175.19 1ict s LYS 70 N -1.45 2.36 -0.26 -0.62 2.20 -1.14 -0.37 119.74 120.46 1ict s LYS 70 Ca 0.24 -1.05 -0.15 0.00 -0.36 0.00 0.00 55.97 54.65 1ict s LYS 70 Cb -0.14 -2.66 -0.04 0.00 -1.51 0.00 0.00 37.83 33.49 1ict s LYS 70 CO 0.13 -0.43 0.38 0.08 -0.36 0.00 0.00 175.35 175.15 1ict s VAL 71 N 1.25 5.18 -0.20 4.02 1.01 0.09 -0.54 120.40 131.20 1ict s VAL 71 Ca -0.03 0.60 -0.02 0.00 0.00 0.00 0.00 61.98 62.53 1ict s VAL 71 Cb -0.17 -3.71 -0.00 0.00 0.00 0.00 0.00 36.38 32.50 1ict s VAL 71 CO -0.08 0.17 -0.09 -0.70 0.00 0.00 0.00 175.10 174.40 1ict s GLU 72 N 1.92 3.28 -0.25 2.72 2.12 -0.01 -0.25 118.70 128.22 1ict s GLU 72 Ca 0.16 -0.69 -0.06 0.00 0.36 0.00 0.00 54.97 54.74 1ict s GLU 72 Cb -0.16 -2.85 -0.01 0.00 0.26 0.00 0.00 34.13 31.37 1ict s GLU 72 CO 0.09 -0.15 0.03 0.42 -0.54 0.00 0.00 175.26 175.11 1ict s ILE 73 N 1.30 3.85 -0.82 -3.70 1.01 0.15 -0.87 121.20 122.13 1ict s ILE 73 Ca 0.04 -0.43 -0.26 0.00 0.00 0.00 0.00 60.65 60.00 1ict s ILE 73 Cb -0.14 -2.83 0.03 0.00 0.01 0.00 0.00 42.46 39.53 1ict s ILE 73 CO -0.05 0.31 1.38 -0.62 0.00 0.00 0.00 174.94 175.96 1ict s ASP 74 N 1.53 6.19 0.20 3.58 2.15 -0.67 -0.59 116.67 129.06 1ict s ASP 74 Ca 0.05 -0.71 0.23 0.00 0.43 0.00 0.00 52.55 52.54 1ict s ASP 74 Cb -0.15 -2.56 0.03 0.00 -0.30 0.00 0.00 42.92 39.94 1ict s ASP 74 CO 0.01 -1.79 1.07 0.71 -0.17 0.00 0.00 175.17 175.00 1ict h THR 75 N 6.34 0.00 -0.31 1.71 1.35 -1.89 -3.36 112.91 116.74 1ict h THR 75 Ca -0.12 -0.96 -0.04 0.00 -0.55 0.00 0.00 66.41 64.74 1ict h THR 75 Cb 1.04 1.47 -0.01 0.00 -1.73 0.00 0.00 68.15 68.92 1ict h THR 75 CO 1.32 0.00 0.04 0.50 -0.25 0.00 0.00 175.52 177.13 1ict h LYS 76 N 0.00 0.52 0.00 4.72 3.64 -1.76 -2.82 116.57 120.87 1ict h LYS 76 Ca 0.00 -0.14 -0.06 0.00 -1.27 0.00 0.00 60.65 59.18 1ict h LYS 76 Cb 0.98 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.73 1ict h LYS 76 CO 0.00 0.62 -0.28 0.77 -2.27 0.00 0.00 179.45 178.29 1ict h SER 77 N 0.34 0.00 -0.29 4.20 0.02 -1.88 -1.81 113.55 114.13 1ict h SER 77 Ca 0.09 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.96 1ict h SER 77 Cb 0.36 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.89 1ict h SER 77 CO 0.01 0.28 -0.13 0.22 -1.14 0.00 0.00 176.83 176.07 1ict h TYR 78 N 0.00 0.69 -0.06 3.45 3.20 -1.68 -2.90 116.97 119.68 1ict h TYR 78 Ca -0.00 -0.17 -0.23 0.00 3.14 0.00 0.00 58.73 61.47 1ict h TYR 78 Cb 0.83 -0.16 0.02 0.00 1.54 0.00 0.00 36.73 38.96 1ict h TYR 78 CO 0.00 0.83 -0.86 -1.49 -1.64 0.00 0.00 178.16 175.00 1ict h TRP 79 N 0.35 0.97 -0.82 -3.82 -0.00 -1.43 -3.26 115.95 107.95 1ict h TRP 79 Ca 0.07 -0.49 0.04 0.00 -0.00 0.00 0.00 58.89 58.51 1ict h TRP 79 Cb 0.64 -0.13 -0.05 0.00 -0.00 0.00 0.00 29.16 29.62 1ict h TRP 79 CO 0.06 1.32 0.52 -0.22 -0.00 0.00 0.00 178.44 180.12 1ict h LYS 80 N 0.35 0.97 -0.04 0.49 3.64 -1.07 -1.20 116.57 119.71 1ict h LYS 80 Ca -0.09 -0.06 -0.08 0.00 -1.27 0.00 0.00 60.65 59.16 1ict h LYS 80 Cb 1.51 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 33.10 1ict h LYS 80 CO 0.17 0.64 -0.33 0.00 -2.27 0.00 0.00 179.45 177.66 1ict h ALA 81 N 1.36 1.38 -0.00 5.00 0.00 -1.62 -2.34 119.26 123.04 1ict h ALA 81 Ca 0.34 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1ict h ALA 81 Cb 0.05 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1ict h ALA 81 CO -0.13 0.45 -0.01 1.28 0.00 0.00 0.00 179.25 180.84 1ict n LEU 82 N -4.13 0.20 0.00 0.00 4.77 -0.79 -4.89 117.00 112.15 1ict n LEU 82 Ca -0.02 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 1ict n LEU 82 Cb 0.39 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 1ict n LEU 82 CO 0.39 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 1ict n GLY 83 N 1.07 0.79 3.80 -0.72 0.00 -0.88 -5.07 105.19 104.19 1ict n GLY 83 Ca 0.22 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.22 5.08 -0.53 -0.61 1.01 -0.52 -4.96 121.20 118.45 1ict s ILE 84 Ca 0.00 0.84 -0.20 0.00 0.00 0.00 0.00 60.65 61.29 1ict s ILE 84 Cb 0.00 -3.73 0.07 0.00 0.01 0.00 0.00 42.46 38.81 1ict s ILE 84 CO 0.00 0.51 0.68 -0.94 0.00 0.00 0.00 174.94 175.19 1ict s SER 85 N -0.59 6.22 0.80 3.58 1.04 -1.26 -2.61 113.70 120.88 1ict s SER 85 Ca 0.23 -0.97 -0.11 0.00 0.48 0.00 0.00 55.95 55.58 1ict s SER 85 Cb -0.16 -2.31 0.07 0.00 0.10 0.00 0.00 66.02 63.72 1ict s SER 85 CO 0.12 -0.99 1.09 -2.16 0.98 0.00 0.00 173.24 172.28 1ict s PRO 86 N 2.81 2.04 -0.19 4.02 0.04 -1.26 -4.96 135.00 137.50 1ict s PRO 86 Ca 0.16 0.92 -0.18 0.00 0.04 0.00 0.00 61.00 61.94 1ict s PRO 86 Cb -0.20 -1.89 -0.14 0.00 0.04 0.00 0.00 34.50 32.31 1ict s PRO 86 CO 0.11 -1.73 0.10 0.35 0.04 0.00 0.00 177.00 175.87 1ict h PHE 87 N -1.18 0.00 -4.18 0.56 3.57 -1.69 -3.48 116.94 110.54 1ict h PHE 87 Ca -0.46 0.00 -0.50 0.00 3.53 0.00 0.00 57.97 60.54 1ict h PHE 87 Cb 1.25 0.00 0.08 0.00 2.79 0.00 0.00 35.95 40.07 1ict h PHE 87 CO 0.52 1.05 0.38 -1.01 -2.23 0.00 0.00 178.31 177.02 1ict s HIS 88 N -2.32 2.80 0.00 0.41 3.76 -1.26 -4.98 115.29 113.71 1ict s HIS 88 Ca -0.25 1.53 -0.11 0.00 -0.15 0.00 0.00 55.06 56.09 1ict s HIS 88 Cb 0.05 -3.11 -0.32 0.00 1.11 0.00 0.00 32.58 30.31 1ict s HIS 88 CO 0.48 -1.38 0.87 0.93 -0.85 0.00 0.00 174.74 174.79 1ict h GLU 89 N 0.43 0.42 -1.88 1.40 4.39 -1.98 -3.39 114.58 113.98 1ict h GLU 89 Ca -0.47 -0.72 0.20 0.00 0.34 0.00 0.00 59.36 58.70 1ict h GLU 89 Cb 1.24 0.27 -0.15 0.00 -0.10 0.00 0.00 28.75 30.00 1ict h GLU 89 CO 0.56 1.33 0.66 -3.38 -1.16 0.00 0.00 179.01 177.02 1ict s HIS 90 N -2.60 -0.20 -0.22 4.33 -3.43 -1.26 -3.94 115.29 107.97 1ict s HIS 90 Ca -0.11 0.07 -0.05 0.00 -0.80 0.00 0.00 55.06 54.17 1ict s HIS 90 Cb 0.05 0.54 -0.02 0.00 -1.43 0.00 0.00 32.58 31.72 1ict s HIS 90 CO 0.89 -0.42 0.01 0.00 -2.00 0.00 0.00 174.74 173.23 1ict s ALA 91 N -2.79 3.02 0.18 -1.38 0.00 0.24 -4.91 121.76 116.12 1ict s ALA 91 Ca 0.09 -1.06 0.07 0.00 0.00 0.00 0.00 51.96 51.06 1ict s ALA 91 Cb -0.00 -1.83 -0.04 0.00 0.00 0.00 0.00 23.12 21.25 1ict s ALA 91 CO -0.05 -0.28 0.02 -1.21 0.00 0.00 0.00 175.76 174.24 1ict s GLU 92 N 1.24 2.48 -0.31 0.00 2.02 -1.26 0.31 118.70 123.17 1ict s GLU 92 Ca 0.04 -1.09 -0.02 0.00 0.02 0.00 0.00 54.97 53.92 1ict s GLU 92 Cb -0.15 -2.39 0.12 0.00 0.10 0.00 0.00 34.13 31.81 1ict s GLU 92 CO 0.01 0.45 0.19 0.08 0.02 0.00 0.00 175.26 176.02 1ict s VAL 93 N -1.77 -0.09 -0.38 2.63 1.01 0.65 -4.99 120.40 117.46 1ict s VAL 93 Ca 0.28 -0.95 -0.17 0.00 0.00 0.00 0.00 61.98 61.15 1ict s VAL 93 Cb -0.09 -0.99 0.01 0.00 0.00 0.00 0.00 36.38 35.30 1ict s VAL 93 CO 0.19 -0.74 0.42 -0.69 0.00 0.00 0.00 175.10 174.28 1ict s VAL 94 N 1.87 5.11 0.13 2.92 1.01 -1.26 -0.73 120.40 129.44 1ict s VAL 94 Ca 0.12 -0.13 0.00 0.00 0.00 0.00 0.00 61.98 61.97 1ict s VAL 94 Cb -0.17 -3.95 -0.04 0.00 0.00 0.00 0.00 36.38 32.21 1ict s VAL 94 CO -0.26 -0.28 0.01 0.72 0.00 0.00 0.00 175.10 175.30 1ict s PHE 95 N 2.13 0.93 -0.27 5.22 -0.12 0.50 -5.00 117.98 121.37 1ict s PHE 95 Ca 0.13 -1.11 -0.10 0.00 -0.05 0.00 0.00 56.93 55.80 1ict s PHE 95 Cb -0.17 -0.54 -0.04 0.00 -0.63 0.00 0.00 43.02 41.64 1ict s PHE 95 CO 0.13 -0.37 0.16 0.99 -0.05 0.00 0.00 175.22 176.08 1ict s THR 96 N -3.86 5.06 -0.11 -4.49 2.01 -1.26 -0.44 115.64 112.55 1ict s THR 96 Ca 0.20 0.08 -0.09 0.00 0.31 0.00 0.00 61.69 62.20 1ict s THR 96 Cb 0.07 -3.40 -0.04 0.00 0.01 0.00 0.00 72.50 69.14 1ict s THR 96 CO 0.00 0.28 0.20 0.00 -0.69 0.00 0.00 174.62 174.41 1ict s ALA 97 N 1.65 3.82 -1.57 7.40 0.00 -0.41 -4.42 121.76 128.23 1ict s ALA 97 Ca 0.07 -0.56 0.00 0.00 0.00 0.00 0.00 51.96 51.47 1ict s ALA 97 Cb -0.16 -2.08 0.00 0.00 0.00 0.00 0.00 23.12 20.88 1ict s ALA 97 CO 0.09 0.53 0.00 0.09 0.00 0.00 0.00 175.76 176.47 1ict n ASN 98 N 2.15 -4.93 -0.19 0.00 3.02 -1.26 -2.75 115.26 111.30 1ict n ASN 98 Ca -0.18 0.18 -0.06 0.00 -0.03 0.00 0.00 54.58 54.50 1ict n ASN 98 Cb 0.54 -3.96 0.04 0.00 -0.61 0.00 0.00 39.78 35.79 1ict n ASN 98 CO 0.00 0.00 0.00 -2.24 -2.62 0.00 0.00 177.26 172.40 1ict h ASP 99 N 0.00 0.59 -1.78 6.41 2.03 -1.92 -2.86 116.42 118.89 1ict h ASP 99 Ca -0.37 -0.00 -0.70 0.00 -0.73 0.00 0.00 57.03 55.23 1ict h ASP 99 Cb 1.19 -0.13 -0.33 0.00 -0.83 0.00 0.00 39.33 39.22 1ict h ASP 99 CO 0.48 0.42 0.35 -1.20 -1.03 0.00 0.00 179.24 178.26 1ict n SER 100 N -4.74 6.43 0.00 4.15 7.64 -1.26 -5.00 113.62 120.84 1ict n SER 100 Ca 0.04 -3.79 0.00 0.00 1.01 0.00 0.00 58.87 56.13 1ict n SER 100 Cb 0.05 -0.83 0.00 0.00 -1.01 0.00 0.00 64.21 62.43 1ict n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ict n GLY 101 N -0.53 1.20 3.72 0.23 0.00 -1.08 -4.99 105.19 103.73 1ict n GLY 101 Ca 0.48 -1.81 -0.40 0.00 0.00 0.00 0.00 46.02 44.29 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 1.16 1.80 -4.06 1.61 -0.02 -1.26 -4.30 135.00 129.93 1ict n PRO 102 Ca 0.00 0.65 -0.10 0.00 -2.02 0.00 0.00 63.50 62.03 1ict n PRO 102 Cb 0.00 -2.46 -0.08 0.00 -0.02 0.00 0.00 33.50 30.93 1ict n PRO 102 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1ict s ARG 103 N -2.53 1.13 -0.23 -0.52 6.06 -1.26 -4.60 118.95 117.00 1ict s ARG 103 Ca 0.66 -1.33 -0.04 0.00 -2.50 0.00 0.00 55.73 52.52 1ict s ARG 103 Cb -0.46 0.33 -0.01 0.00 0.06 0.00 0.00 34.95 34.87 1ict s ARG 103 CO 0.54 -0.39 -0.03 0.50 -2.50 0.00 0.00 175.30 173.42 1ict s ARG 104 N -4.03 3.36 -0.06 5.12 3.52 0.06 -4.88 118.95 122.04 1ict s ARG 104 Ca 0.23 -0.64 0.02 0.00 -0.13 0.00 0.00 55.73 55.21 1ict s ARG 104 Cb 0.05 -3.05 -0.03 0.00 -1.56 0.00 0.00 34.95 30.36 1ict s ARG 104 CO 0.03 -0.22 -0.09 0.71 -0.81 0.00 0.00 175.30 174.92 1ict s TYR 105 N 1.48 2.85 -0.08 5.12 1.51 0.07 -0.95 117.35 127.36 1ict s TYR 105 Ca 0.05 -0.04 0.05 0.00 -1.01 0.00 0.00 57.07 56.12 1ict s TYR 105 Cb -0.15 -1.68 -0.00 0.00 -0.11 0.00 0.00 41.96 40.02 1ict s TYR 105 CO -0.03 0.28 -0.24 0.99 -1.11 0.00 0.00 175.55 175.45 1ict s THR 106 N -0.79 2.05 -0.30 -0.71 2.01 -0.95 -1.75 115.64 115.21 1ict s THR 106 Ca 0.12 -1.03 0.01 0.00 0.31 0.00 0.00 61.69 61.10 1ict s THR 106 Cb -0.11 -1.76 0.09 0.00 0.01 0.00 0.00 72.50 70.73 1ict s THR 106 CO 0.01 0.56 0.04 -0.63 -0.69 0.00 0.00 174.62 173.92 1ict s ILE 107 N 0.16 1.49 0.03 1.82 1.01 -1.05 -1.86 121.20 122.80 1ict s ILE 107 Ca -0.13 -1.64 -0.08 0.00 0.00 0.00 0.00 60.65 58.80 1ict s ILE 107 Cb -0.16 -2.01 -0.05 0.00 0.01 0.00 0.00 42.46 40.24 1ict s ILE 107 CO 0.07 -0.49 0.32 0.00 0.00 0.00 0.00 174.94 174.84 1ict s ALA 108 N 1.33 3.80 -0.04 9.38 0.00 -0.74 -1.32 121.76 134.17 1ict s ALA 108 Ca 0.06 -0.50 -0.01 0.00 0.00 0.00 0.00 51.96 51.51 1ict s ALA 108 Cb -0.18 -2.15 0.03 0.00 0.00 0.00 0.00 23.12 20.82 1ict s ALA 108 CO -0.14 0.61 0.03 0.00 0.00 0.00 0.00 175.76 176.26 1ict s ALA 109 N -1.32 0.34 -0.29 0.00 0.00 -0.63 -1.81 121.76 118.04 1ict s ALA 109 Ca 0.29 0.13 -0.12 0.00 0.00 0.00 0.00 51.96 52.26 1ict s ALA 109 Cb -0.14 -0.54 -0.04 0.00 0.00 0.00 0.00 23.12 22.41 1ict s ALA 109 CO 0.17 -0.34 0.25 -1.17 0.00 0.00 0.00 175.76 174.66 1ict s LEU 110 N 1.74 4.14 0.11 0.00 2.96 0.12 -1.47 118.68 126.28 1ict s LEU 110 Ca -0.00 -0.05 0.02 0.00 -0.22 0.00 0.00 54.13 53.89 1ict s LEU 110 Cb -0.13 -2.20 -0.04 0.00 0.50 0.00 0.00 46.19 44.33 1ict s LEU 110 CO -0.03 -0.13 0.19 -0.76 -1.32 0.00 0.00 176.35 174.29 1ict s LEU 111 N 1.83 4.12 0.05 -0.68 1.43 -0.33 -0.79 118.68 124.31 1ict s LEU 111 Ca 0.09 0.11 -0.23 0.00 -1.03 0.00 0.00 54.13 53.06 1ict s LEU 111 Cb -0.16 -2.74 0.05 0.00 0.03 0.00 0.00 46.19 43.37 1ict s LEU 111 CO 0.11 0.12 0.53 -0.44 0.23 0.00 0.00 176.35 176.90 1ict s SER 112 N -2.79 -0.46 0.29 2.29 0.01 0.56 -1.03 113.70 112.57 1ict s SER 112 Ca 0.33 0.20 0.03 0.00 1.31 0.00 0.00 55.95 57.81 1ict s SER 112 Cb -0.12 0.50 0.71 0.00 0.21 0.00 0.00 66.02 67.32 1ict s SER 112 CO 0.26 -0.73 1.69 -0.65 0.41 0.00 0.00 173.24 174.22 1ict h PRO 113 N 2.75 0.36 -0.02 12.44 0.11 -1.99 -2.95 132.00 142.69 1ict h PRO 113 Ca -0.31 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1ict h PRO 113 Cb 1.21 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1ict h PRO 113 CO 0.41 0.24 0.00 0.66 -0.21 0.00 0.00 178.00 179.10 1ict n TYR 114 N -5.07 0.03 -3.81 0.65 4.01 -1.26 -1.72 117.16 109.98 1ict n TYR 114 Ca 0.21 -0.13 -0.12 0.00 -0.16 0.00 0.00 57.90 57.70 1ict n TYR 114 Cb 0.64 -0.01 -0.12 0.00 -0.31 0.00 0.00 39.34 39.55 1ict n TYR 114 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1ict s SER 115 N -0.42 -0.17 0.00 7.72 0.15 -1.12 -4.97 113.70 114.90 1ict s SER 115 Ca 0.04 0.29 -0.05 0.00 0.70 0.00 0.00 55.95 56.92 1ict s SER 115 Cb 0.02 0.37 -0.00 0.00 -1.71 0.00 0.00 66.02 64.70 1ict s SER 115 CO 0.03 -0.13 0.09 -0.72 1.20 0.00 0.00 173.24 173.71 1ict s TYR 116 N -0.20 0.08 -0.00 3.44 -0.85 -1.26 -0.32 117.35 118.24 1ict s TYR 116 Ca -0.03 -0.19 0.03 0.00 -0.52 0.00 0.00 57.07 56.36 1ict s TYR 116 Cb -0.03 -0.08 -0.01 0.00 0.38 0.00 0.00 41.96 42.23 1ict s TYR 116 CO 0.01 -0.24 -0.09 0.45 -1.52 0.00 0.00 175.55 174.15 1ict s SER 117 N -1.26 1.08 -0.00 -0.18 0.15 0.03 -4.96 113.70 108.56 1ict s SER 117 Ca -0.14 -0.19 0.04 0.00 0.70 0.00 0.00 55.95 56.36 1ict s SER 117 Cb -0.08 -0.11 -0.01 0.00 -1.71 0.00 0.00 66.02 64.11 1ict s SER 117 CO 0.01 0.09 -0.11 0.28 1.20 0.00 0.00 173.24 174.71 1ict s THR 118 N -0.29 0.88 0.06 6.45 -1.32 -1.26 0.13 115.64 120.29 1ict s THR 118 Ca 0.03 -0.55 -0.04 0.00 -1.21 0.00 0.00 61.69 59.92 1ict s THR 118 Cb -0.04 -0.75 -0.02 0.00 -1.51 0.00 0.00 72.50 70.17 1ict s THR 118 CO -0.00 0.19 0.05 0.42 -2.21 0.00 0.00 174.62 173.07 1ict s THR 119 N -0.37 0.18 0.09 5.08 -4.23 -0.75 -5.01 115.64 110.63 1ict s THR 119 Ca 0.03 -1.48 0.07 0.00 -1.18 0.00 0.00 61.69 59.13 1ict s THR 119 Cb -0.05 -1.32 -0.03 0.00 1.34 0.00 0.00 72.50 72.44 1ict s THR 119 CO -0.00 -0.82 -0.18 0.00 -0.54 0.00 0.00 174.62 173.08 1ict s ALA 120 N -3.60 1.57 -0.26 3.99 0.00 -1.26 -1.79 121.76 120.40 1ict s ALA 120 Ca 0.04 -1.15 0.01 0.00 0.00 0.00 0.00 51.96 50.85 1ict s ALA 120 Cb 0.05 -0.19 0.07 0.00 0.00 0.00 0.00 23.12 23.05 1ict s ALA 120 CO -0.09 0.29 0.00 0.08 0.00 0.00 0.00 175.76 176.04 1ict s VAL 121 N -1.20 1.39 -0.14 0.00 1.01 -0.78 -4.99 120.40 115.69 1ict s VAL 121 Ca 0.03 -1.35 -0.17 0.00 0.00 0.00 0.00 61.98 60.49 1ict s VAL 121 Cb -0.10 -1.82 -0.04 0.00 0.00 0.00 0.00 36.38 34.42 1ict s VAL 121 CO 0.03 -0.31 0.45 -0.69 0.00 0.00 0.00 175.10 174.58 1ict s VAL 122 N 1.42 5.20 -0.01 2.92 1.01 -1.26 -2.23 120.40 127.45 1ict s VAL 122 Ca 0.00 0.87 0.05 0.00 0.00 0.00 0.00 61.98 62.90 1ict s VAL 122 Cb -0.18 -3.78 -0.01 0.00 0.00 0.00 0.00 36.38 32.40 1ict s VAL 122 CO -0.11 0.31 -0.16 -0.89 0.00 0.00 0.00 175.10 174.26 1ict s THR 123 N 0.77 1.24 0.00 3.92 2.01 -0.12 -5.00 115.64 118.46 1ict s THR 123 Ca 0.24 -0.67 -0.15 0.00 0.31 0.00 0.00 61.69 61.41 1ict s THR 123 Cb -0.15 -1.03 -0.06 0.00 0.01 0.00 0.00 72.50 71.27 1ict s THR 123 CO 0.09 0.35 0.43 0.21 -0.69 0.00 0.00 174.62 175.01 1ict s ASN 124 N -0.36 6.83 0.00 3.53 3.84 -1.26 -0.76 114.94 126.76 1ict s ASN 124 Ca 0.06 0.99 0.25 0.00 0.21 0.00 0.00 52.86 54.37 1ict s ASN 124 Cb -0.06 -2.26 1.50 0.00 -0.55 0.00 0.00 41.25 39.88 1ict s ASN 124 CO -0.01 0.30 1.86 -2.65 -2.79 0.00 0.00 177.10 173.82