#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 0.06 -2.75 0.00 -0.04 -1.26 -3.68 135.00 127.33 1ict n PRO 11 Ca 0.00 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.40 1ict n PRO 11 Cb 0.00 -1.09 0.04 0.00 -0.04 0.00 0.00 33.50 32.41 1ict n PRO 11 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1ict n LEU 12 N -0.59 -2.98 -4.81 1.53 7.94 -1.25 -3.07 117.00 113.78 1ict n LEU 12 Ca 0.00 -3.04 -0.38 0.00 -1.11 0.00 0.00 56.01 51.49 1ict n LEU 12 Cb 0.00 0.79 -0.06 0.00 0.53 0.00 0.00 43.42 44.68 1ict n LEU 12 CO 0.00 1.94 0.35 -0.32 -1.11 0.00 0.00 177.39 178.25 1ict s MET 13 N 0.74 4.29 -0.17 1.96 1.75 -0.98 -4.66 119.30 122.22 1ict s MET 13 Ca 0.31 0.85 -0.03 0.00 -1.25 0.00 0.00 55.69 55.57 1ict s MET 13 Cb 0.15 -3.13 0.06 0.00 2.84 0.00 0.00 34.83 34.74 1ict s MET 13 CO -0.17 0.55 0.05 0.08 -0.65 0.00 0.00 175.02 174.88 1ict s VAL 14 N -1.25 0.33 0.11 10.11 1.01 -1.21 -2.64 120.40 126.87 1ict s VAL 14 Ca 0.35 -0.37 -0.01 0.00 0.00 0.00 0.00 61.98 61.95 1ict s VAL 14 Cb -0.19 -0.84 -0.04 0.00 0.00 0.00 0.00 36.38 35.30 1ict s VAL 14 CO 0.21 -0.17 0.29 -0.75 0.00 0.00 0.00 175.10 174.68 1ict s LYS 15 N 1.95 3.50 -0.11 2.72 2.20 -1.04 -1.06 119.74 127.90 1ict s LYS 15 Ca 0.01 -0.35 -0.04 0.00 -0.36 0.00 0.00 55.97 55.23 1ict s LYS 15 Cb -0.16 -2.95 0.06 0.00 -1.51 0.00 0.00 37.83 33.26 1ict s LYS 15 CO -0.08 0.54 0.20 0.08 -0.36 0.00 0.00 175.35 175.73 1ict s VAL 16 N -1.62 -0.32 0.40 4.02 1.01 0.26 -2.04 120.40 122.12 1ict s VAL 16 Ca 0.37 0.27 0.08 0.00 0.00 0.00 0.00 61.98 62.70 1ict s VAL 16 Cb -0.12 -0.39 -0.03 0.00 0.00 0.00 0.00 36.38 35.84 1ict s VAL 16 CO 0.27 0.09 0.34 -0.76 0.00 0.00 0.00 175.10 175.04 1ict s LEU 17 N 2.34 3.38 -0.23 3.92 1.43 0.23 -1.27 118.68 128.48 1ict s LEU 17 Ca 0.03 -0.76 0.01 0.00 -1.03 0.00 0.00 54.13 52.39 1ict s LEU 17 Cb -0.12 -1.99 0.05 0.00 0.03 0.00 0.00 46.19 44.16 1ict s LEU 17 CO -0.07 -0.59 -0.09 -0.62 0.23 0.00 0.00 176.35 175.20 1ict s ASP 18 N -4.08 3.89 0.00 2.29 2.15 0.07 -1.67 116.67 119.33 1ict s ASP 18 Ca 0.46 -1.15 0.20 0.00 0.43 0.00 0.00 52.55 52.49 1ict s ASP 18 Cb -0.03 -1.32 1.01 0.00 -0.30 0.00 0.00 42.92 42.28 1ict s ASP 18 CO 0.27 -0.19 1.67 0.00 -0.17 0.00 0.00 175.17 176.75 1ict n ALA 19 N 4.60 2.58 -0.09 3.66 0.00 -0.29 -1.94 120.51 129.03 1ict n ALA 19 Ca -0.14 -0.25 -0.14 0.00 0.00 0.00 0.00 53.44 52.91 1ict n ALA 19 Cb 0.44 -1.24 -0.08 0.00 0.00 0.00 0.00 19.45 18.58 1ict n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1ict n VAL 20 N -0.42 1.05 0.17 0.00 0.31 -1.26 -4.54 118.33 113.63 1ict n VAL 20 Ca 0.15 -0.38 0.10 0.00 -0.01 0.00 0.00 64.34 64.20 1ict n VAL 20 Cb 0.16 -1.23 0.20 0.00 -0.91 0.00 0.00 33.84 32.06 1ict n VAL 20 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1ict n ARG 21 N -3.15 2.39 -3.69 5.55 1.74 -1.25 -5.01 116.66 113.24 1ict n ARG 21 Ca -0.33 -2.19 -0.24 0.00 -0.77 0.00 0.00 57.85 54.32 1ict n ARG 21 Cb 0.83 -1.46 0.01 0.00 -1.02 0.00 0.00 32.46 30.83 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 1.29 -1.21 3.87 -0.13 0.00 -0.82 -4.98 105.19 103.21 1ict n GLY 22 Ca 0.18 0.53 -0.03 0.00 0.00 0.00 0.00 46.02 46.70 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 -3.11 -0.02 0.73 1.61 1.04 -1.09 -5.02 113.70 107.85 1ict s SER 23 Ca 0.11 -0.60 -0.11 0.00 0.48 0.00 0.00 55.95 55.84 1ict s SER 23 Cb -0.05 0.46 0.03 0.00 0.10 0.00 0.00 66.02 66.56 1ict s SER 23 CO 0.88 -0.91 1.07 -2.84 0.98 0.00 0.00 173.24 172.42 1ict s PRO 24 N -2.28 2.63 -0.58 4.02 0.02 -1.26 -0.75 135.00 136.79 1ict s PRO 24 Ca 0.21 1.01 -0.18 0.00 0.02 0.00 0.00 61.00 62.06 1ict s PRO 24 Cb -0.02 -1.95 0.11 0.00 0.02 0.00 0.00 34.50 32.66 1ict s PRO 24 CO 0.04 -1.33 0.64 0.00 -0.33 0.00 0.00 177.00 176.02 1ict s ALA 25 N -3.00 3.50 -0.06 -1.55 0.00 -0.39 -4.61 121.76 115.64 1ict s ALA 25 Ca 0.59 -2.36 -0.24 0.00 0.00 0.00 0.00 51.96 49.96 1ict s ALA 25 Cb -0.15 -3.45 -0.04 0.00 0.00 0.00 0.00 23.12 19.48 1ict s ALA 25 CO 0.55 -2.25 0.72 0.42 0.00 0.00 0.00 175.76 175.20 1ict s ILE 26 N 2.29 5.04 -0.44 0.00 1.01 -1.26 -4.10 121.20 123.74 1ict s ILE 26 Ca 0.09 1.48 0.00 0.00 0.00 0.00 0.00 60.65 62.22 1ict s ILE 26 Cb -0.26 -4.06 0.00 0.00 0.01 0.00 0.00 42.46 38.16 1ict s ILE 26 CO 0.05 0.25 0.00 0.59 0.00 0.00 0.00 174.94 175.82 1ict n ASN 27 N 3.79 -2.71 -4.63 3.58 3.02 -0.69 -4.98 115.26 112.64 1ict n ASN 27 Ca -0.01 0.05 -0.43 0.00 -0.03 0.00 0.00 54.58 54.16 1ict n ASN 27 Cb 0.51 -1.47 -0.03 0.00 -0.61 0.00 0.00 39.78 38.18 1ict n ASN 27 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1ict s VAL 28 N -2.21 4.57 0.38 2.41 1.01 -1.26 -4.74 120.40 120.57 1ict s VAL 28 Ca 0.00 1.59 -0.27 0.00 0.00 0.00 0.00 61.98 63.30 1ict s VAL 28 Cb 0.00 -4.36 -0.10 0.00 0.00 0.00 0.00 36.38 31.93 1ict s VAL 28 CO 0.00 -0.44 1.34 0.00 0.00 0.00 0.00 175.10 176.00 1ict s ALA 29 N 3.50 3.39 -0.05 5.51 0.00 -1.26 -2.41 121.76 130.43 1ict s ALA 29 Ca 0.42 1.30 0.02 0.00 0.00 0.00 0.00 51.96 53.70 1ict s ALA 29 Cb -0.13 -3.51 0.02 0.00 0.00 0.00 0.00 23.12 19.51 1ict s ALA 29 CO 0.15 -0.81 -0.07 0.08 0.00 0.00 0.00 175.76 175.11 1ict s VAL 30 N -1.20 0.71 -0.15 0.00 1.01 -0.52 -1.62 120.40 118.63 1ict s VAL 30 Ca 0.54 -0.24 0.00 0.00 0.00 0.00 0.00 61.98 62.28 1ict s VAL 30 Cb -0.40 -0.69 0.02 0.00 0.00 0.00 0.00 36.38 35.31 1ict s VAL 30 CO 0.53 0.26 -0.15 -1.00 0.00 0.00 0.00 175.10 174.74 1ict s HIS 31 N 0.76 2.23 -0.11 5.22 3.76 -0.19 -2.88 115.29 124.09 1ict s HIS 31 Ca -0.12 -1.27 -0.05 0.00 -0.15 0.00 0.00 55.06 53.46 1ict s HIS 31 Cb -0.14 -1.63 -0.04 0.00 1.11 0.00 0.00 32.58 31.88 1ict s HIS 31 CO 0.01 -0.69 0.09 0.08 -0.85 0.00 0.00 174.74 173.39 1ict s VAL 32 N 1.47 5.12 -0.07 -0.90 1.01 -0.37 -0.73 120.40 125.92 1ict s VAL 32 Ca 0.05 0.06 -0.01 0.00 0.00 0.00 0.00 61.98 62.07 1ict s VAL 32 Cb -0.13 -3.21 0.03 0.00 0.00 0.00 0.00 36.38 33.07 1ict s VAL 32 CO -0.11 0.61 0.00 -0.36 0.00 0.00 0.00 175.10 175.24 1ict s PHE 33 N -0.91 0.67 0.29 5.22 0.40 -0.50 -1.88 117.98 121.26 1ict s PHE 33 Ca 0.14 -0.18 -0.18 0.00 -0.60 0.00 0.00 56.93 56.12 1ict s PHE 33 Cb -0.12 -0.80 -0.09 0.00 0.51 0.00 0.00 43.02 42.52 1ict s PHE 33 CO 0.03 -0.33 0.75 0.50 0.70 0.00 0.00 175.22 176.87 1ict s ARG 34 N 1.97 4.14 -0.42 0.44 3.52 -0.51 -2.13 118.95 125.96 1ict s ARG 34 Ca 0.05 0.80 -0.25 0.00 -0.13 0.00 0.00 55.73 56.20 1ict s ARG 34 Cb -0.12 -2.61 0.02 0.00 -1.56 0.00 0.00 34.95 30.68 1ict s ARG 34 CO -0.05 0.25 0.87 0.21 -0.81 0.00 0.00 175.30 175.77 1ict s LYS 35 N -2.55 3.61 1.06 5.12 2.20 -0.13 -1.54 119.74 127.51 1ict s LYS 35 Ca 0.50 0.22 -0.12 0.00 -0.36 0.00 0.00 55.97 56.21 1ict s LYS 35 Cb -0.13 -3.88 0.22 0.00 -1.51 0.00 0.00 37.83 32.53 1ict s LYS 35 CO 0.19 -1.08 1.07 0.00 -0.36 0.00 0.00 175.35 175.17 1ict s ALA 36 N 3.49 0.40 0.42 3.13 0.00 -0.69 -4.76 121.76 123.76 1ict s ALA 36 Ca 0.35 -0.22 0.08 0.00 0.00 0.00 0.00 51.96 52.18 1ict s ALA 36 Cb -0.11 -3.19 0.91 0.00 0.00 0.00 0.00 23.12 20.73 1ict s ALA 36 CO 0.22 -3.23 2.06 0.00 0.00 0.00 0.00 175.76 174.81 1ict h ALA 37 N -2.18 1.76 0.00 0.00 0.00 -1.96 -2.55 119.26 114.32 1ict h ALA 37 Ca -0.57 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1ict h ALA 37 Cb 1.33 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1ict h ALA 37 CO 0.54 0.22 0.00 -0.40 0.00 0.00 0.00 179.25 179.61 1ict n ASP 38 N -4.48 0.00 -2.70 0.00 5.68 -1.26 -4.80 116.55 108.99 1ict n ASP 38 Ca 0.03 -0.74 -0.16 0.00 -0.50 0.00 0.00 54.79 53.43 1ict n ASP 38 Cb 0.09 0.00 0.06 0.00 -1.14 0.00 0.00 41.12 40.12 1ict n ASP 38 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1ict n ASP 39 N -0.63 -4.23 -3.82 -1.12 -0.08 -0.96 -5.03 116.55 100.69 1ict n ASP 39 Ca 0.03 -0.40 -0.12 0.00 -1.51 0.00 0.00 54.79 52.78 1ict n ASP 39 Cb 0.01 -3.73 -0.13 0.00 2.34 0.00 0.00 41.12 39.62 1ict n ASP 39 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 1ict s THR 40 N -3.23 -0.00 -0.32 5.18 2.01 -1.25 -5.00 115.64 113.02 1ict s THR 40 Ca 0.30 0.01 -0.29 0.00 0.31 0.00 0.00 61.69 62.02 1ict s THR 40 Cb -0.13 -0.20 -0.01 0.00 0.01 0.00 0.00 72.50 72.17 1ict s THR 40 CO 0.52 0.00 1.60 0.26 -0.69 0.00 0.00 174.62 176.31 1ict s TRP 41 N 0.14 2.12 0.05 4.92 0.52 -1.26 -1.70 118.94 123.73 1ict s TRP 41 Ca -0.01 0.63 0.02 0.00 0.02 0.00 0.00 56.10 56.76 1ict s TRP 41 Cb -0.02 -4.13 -0.04 0.00 -1.15 0.00 0.00 33.47 28.13 1ict s TRP 41 CO -0.00 -2.58 0.07 -2.00 0.02 0.00 0.00 176.95 172.46 1ict s GLU 42 N 5.09 2.91 0.94 4.98 2.12 -0.59 -4.95 118.70 129.19 1ict s GLU 42 Ca 0.71 -0.63 -0.10 0.00 0.36 0.00 0.00 54.97 55.31 1ict s GLU 42 Cb -0.20 -2.75 0.16 0.00 0.26 0.00 0.00 34.13 31.59 1ict s GLU 42 CO 0.32 0.59 1.13 -1.25 -0.54 0.00 0.00 175.26 175.51 1ict s PRO 43 N -2.11 0.85 0.00 4.30 0.04 -1.26 -1.42 135.00 135.40 1ict s PRO 43 Ca 0.26 1.47 0.00 0.00 0.04 0.00 0.00 61.00 62.77 1ict s PRO 43 Cb -0.12 -1.71 0.00 0.00 0.04 0.00 0.00 34.50 32.71 1ict s PRO 43 CO 0.18 -2.72 0.00 0.34 0.04 0.00 0.00 177.00 174.84 1ict n PHE 44 N -4.29 0.00 -3.61 0.56 7.35 -0.79 -4.40 117.46 112.29 1ict n PHE 44 Ca 0.11 0.00 -0.03 0.00 -0.76 0.00 0.00 57.45 56.77 1ict n PHE 44 Cb 0.52 0.00 -0.02 0.00 0.35 0.00 0.00 39.48 40.34 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 -1.00 -2.14 0.12 3.13 0.00 -1.21 -5.03 121.76 115.63 1ict s ALA 45 Ca 0.00 1.50 -0.00 0.00 0.00 0.00 0.00 51.96 53.46 1ict s ALA 45 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 23.12 23.04 1ict s ALA 45 CO 0.00 -0.67 0.15 0.43 0.00 0.00 0.00 175.76 175.67 1ict n SER 46 N -0.15 -0.42 0.00 0.00 7.64 -1.26 -1.23 113.62 118.19 1ict n SER 46 Ca -0.00 -1.67 0.00 0.00 1.01 0.00 0.00 58.87 58.21 1ict n SER 46 Cb 0.59 0.81 0.00 0.00 -1.01 0.00 0.00 64.21 64.60 1ict n SER 46 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ict n GLY 47 N -0.20 4.01 3.66 0.23 0.00 -1.14 -4.81 105.19 106.94 1ict n GLY 47 Ca 0.01 -1.53 -0.24 0.00 0.00 0.00 0.00 46.02 44.26 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 -2.68 2.37 0.20 1.61 1.02 -1.26 -1.44 119.74 119.56 1ict s LYS 48 Ca 0.00 -1.29 -0.30 0.00 0.02 0.00 0.00 55.97 54.40 1ict s LYS 48 Cb 0.00 -2.25 -0.08 0.00 -0.52 0.00 0.00 37.83 34.98 1ict s LYS 48 CO 0.00 0.39 1.08 0.95 -0.92 0.00 0.00 175.35 176.86 1ict s THR 49 N -2.12 3.85 0.00 2.17 -4.23 -1.01 -4.68 115.64 109.62 1ict s THR 49 Ca 0.30 1.65 0.00 0.00 -1.18 0.00 0.00 61.69 62.46 1ict s THR 49 Cb -0.07 -4.05 0.00 0.00 1.34 0.00 0.00 72.50 69.72 1ict s THR 49 CO 0.20 0.31 0.00 -1.54 -0.54 0.00 0.00 174.62 173.05 1ict n SER 50 N 2.14 0.00 0.07 3.99 3.41 -0.86 -1.70 113.62 120.67 1ict n SER 50 Ca 0.02 0.00 0.03 0.00 -0.26 0.00 0.00 58.87 58.65 1ict n SER 50 Cb 0.46 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.37 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 4.39 -1.93 -3.33 114.58 118.04 1ict h GLU 51 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1ict h GLU 51 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1ict h GLU 51 CO 0.00 0.29 0.00 0.43 -1.16 0.00 0.00 179.01 178.57 1ict n SER 52 N -2.95 0.00 0.00 1.42 7.64 -1.26 -4.75 113.62 113.72 1ict n SER 52 Ca -0.05 -0.31 0.00 0.00 1.01 0.00 0.00 58.87 59.52 1ict n SER 52 Cb 0.76 -0.22 0.00 0.00 -1.01 0.00 0.00 64.21 63.74 1ict n SER 52 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ict n GLY 53 N 1.10 0.49 3.06 0.23 0.00 -1.25 -4.82 105.19 104.00 1ict n GLY 53 Ca 0.16 -0.49 -0.22 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.94 1.15 -0.03 1.61 -1.05 -1.26 0.92 118.70 119.10 1ict s GLU 54 Ca 0.00 -0.42 -0.19 0.00 -0.15 0.00 0.00 54.97 54.21 1ict s GLU 54 Cb 0.00 -1.06 -0.05 0.00 -0.44 0.00 0.00 34.13 32.58 1ict s GLU 54 CO 0.00 0.20 0.54 -1.17 0.95 0.00 0.00 175.26 175.78 1ict s LEU 55 N -0.01 4.39 -0.18 1.83 0.20 -0.23 -2.03 118.68 122.66 1ict s LEU 55 Ca -0.00 1.05 -0.01 0.00 0.69 0.00 0.00 54.13 55.86 1ict s LEU 55 Cb -0.08 -2.83 0.05 0.00 -0.43 0.00 0.00 46.19 42.90 1ict s LEU 55 CO 0.00 0.10 -0.03 -2.28 -0.29 0.00 0.00 176.35 173.86 1ict s HIS 56 N -0.10 1.62 0.00 5.38 2.46 -1.26 -3.31 115.29 120.08 1ict s HIS 56 Ca 0.29 -1.09 0.00 0.00 0.47 0.00 0.00 55.06 54.73 1ict s HIS 56 Cb -0.17 -1.27 0.00 0.00 -0.13 0.00 0.00 32.58 31.01 1ict s HIS 56 CO 0.15 -0.62 0.00 0.41 -2.47 0.00 0.00 174.74 172.21 1ict n GLY 57 N 4.89 1.11 1.13 1.59 0.00 -1.26 -4.97 105.19 107.68 1ict n GLY 57 Ca -0.11 -0.32 -0.02 0.00 0.00 0.00 0.00 46.02 45.57 1ict n GLY 57 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1ict n LEU 58 N -0.13 3.22 0.00 0.99 -0.00 -1.26 -4.81 117.00 115.00 1ict n LEU 58 Ca 0.00 -1.65 0.00 0.00 -0.00 0.00 0.00 56.01 54.36 1ict n LEU 58 Cb 0.21 -0.58 0.00 0.00 -0.00 0.00 0.00 43.42 43.05 1ict n LEU 58 CO 0.00 0.51 0.00 1.07 -0.00 0.00 0.00 177.39 178.97 1ict n THR 59 N 0.10 0.00 -3.88 1.47 5.66 -1.26 -4.75 114.28 111.62 1ict n THR 59 Ca 0.13 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 61.04 1ict n THR 59 Cb 0.68 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 69.45 1ict n THR 59 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 1ict s THR 60 N -2.00 0.00 0.00 1.09 2.01 -1.26 -4.64 115.64 110.84 1ict s THR 60 Ca 0.00 -1.11 0.00 0.00 0.31 0.00 0.00 61.69 60.89 1ict s THR 60 Cb 0.00 -2.42 0.00 0.00 0.01 0.00 0.00 72.50 70.09 1ict s THR 60 CO 0.00 0.00 0.00 -0.62 -0.69 0.00 0.00 174.62 173.31 1ict n GLU 61 N -0.48 0.00 -0.02 4.92 -0.58 -1.26 -2.77 120.64 120.44 1ict n GLU 61 Ca -0.05 0.00 -0.06 0.00 -0.42 0.00 0.00 57.16 56.63 1ict n GLU 61 Cb 0.60 0.00 -0.05 0.00 -0.57 0.00 0.00 31.44 31.42 1ict n GLU 61 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 1ict h GLU 62 N 0.00 -0.07 -0.83 3.49 4.81 -2.02 -3.38 114.58 116.57 1ict h GLU 62 Ca 0.00 0.00 0.18 0.00 -0.13 0.00 0.00 59.36 59.42 1ict h GLU 62 Cb 0.00 0.02 -0.11 0.00 0.63 0.00 0.00 28.75 29.28 1ict h GLU 62 CO 0.00 0.26 0.34 0.93 -0.73 0.00 0.00 179.01 179.81 1ict h GLU 63 N -0.99 0.40 -6.39 1.92 3.07 -1.94 -3.39 114.58 107.25 1ict h GLU 63 Ca -0.01 -0.02 -0.54 0.00 -0.50 0.00 0.00 59.36 58.29 1ict h GLU 63 Cb 0.36 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 28.19 1ict h GLU 63 CO 0.01 0.26 0.88 0.12 -1.40 0.00 0.00 179.01 178.88 1ict s PHE 64 N -5.95 2.74 0.00 4.33 5.36 -1.12 -4.95 117.98 118.39 1ict s PHE 64 Ca -0.12 0.69 0.00 0.00 -0.96 0.00 0.00 56.93 56.54 1ict s PHE 64 Cb 0.23 -3.74 0.00 0.00 -0.34 0.00 0.00 43.02 39.17 1ict s PHE 64 CO 0.77 -2.81 0.00 0.28 -1.46 0.00 0.00 175.22 172.00 1ict n VAL 65 N 4.68 0.00 -1.86 3.12 0.31 -1.26 -4.94 118.33 118.38 1ict n VAL 65 Ca 0.14 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.47 1ict n VAL 65 Cb 0.43 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.36 1ict n VAL 65 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 1ict n GLU 66 N 0.00 0.00 0.00 5.55 0.28 -1.26 -4.49 120.64 120.72 1ict n GLU 66 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1ict n GLU 66 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 1ict n GLU 66 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1ict n GLY 67 N 0.00 0.72 3.10 -1.84 0.00 -1.21 -4.79 105.19 101.16 1ict n GLY 67 Ca 0.00 -1.17 -0.29 0.00 0.00 0.00 0.00 46.02 44.56 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 0.00 1.62 0.48 -0.61 1.01 -1.26 -0.61 121.20 121.82 1ict s ILE 68 Ca 0.00 -0.73 0.05 0.00 0.00 0.00 0.00 60.65 59.97 1ict s ILE 68 Cb 0.00 -1.45 -0.02 0.00 0.01 0.00 0.00 42.46 41.00 1ict s ILE 68 CO 0.00 0.46 0.16 -0.31 0.00 0.00 0.00 174.94 175.26 1ict s TYR 69 N 0.79 2.12 -0.28 3.97 1.51 0.12 -0.95 117.35 124.62 1ict s TYR 69 Ca -0.10 -0.78 -0.06 0.00 -1.01 0.00 0.00 57.07 55.12 1ict s TYR 69 Cb -0.16 -1.82 0.14 0.00 -0.11 0.00 0.00 41.96 40.02 1ict s TYR 69 CO 0.01 0.06 0.58 0.21 -1.11 0.00 0.00 175.55 175.31 1ict s LYS 70 N -3.97 0.53 -0.49 -0.62 2.20 -0.91 -1.79 119.74 114.69 1ict s LYS 70 Ca 0.27 1.19 -0.13 0.00 -0.36 0.00 0.00 55.97 56.95 1ict s LYS 70 Cb 0.02 0.61 0.11 0.00 -1.51 0.00 0.00 37.83 37.06 1ict s LYS 70 CO 0.15 -0.37 0.40 0.08 -0.36 0.00 0.00 175.35 175.25 1ict s VAL 71 N 2.83 4.81 -0.19 4.02 1.01 -1.01 -1.41 120.40 130.45 1ict s VAL 71 Ca 0.05 -1.47 -0.23 0.00 0.00 0.00 0.00 61.98 60.33 1ict s VAL 71 Cb -0.13 -4.04 -0.02 0.00 0.00 0.00 0.00 36.38 32.19 1ict s VAL 71 CO -0.19 -0.73 0.72 -1.61 0.00 0.00 0.00 175.10 173.30 1ict s GLU 72 N 1.52 4.25 -0.36 2.72 2.02 0.09 -2.91 118.70 126.04 1ict s GLU 72 Ca 0.04 0.80 -0.06 0.00 0.02 0.00 0.00 54.97 55.76 1ict s GLU 72 Cb -0.27 -3.58 0.05 0.00 0.10 0.00 0.00 34.13 30.44 1ict s GLU 72 CO 0.03 -0.29 0.14 0.42 0.02 0.00 0.00 175.26 175.57 1ict s ILE 73 N 2.05 3.78 -1.14 -1.63 1.01 -0.14 -1.02 121.20 124.10 1ict s ILE 73 Ca 0.33 -1.27 -0.24 0.00 0.00 0.00 0.00 60.65 59.47 1ict s ILE 73 Cb -0.16 -3.21 -0.11 0.00 0.01 0.00 0.00 42.46 38.99 1ict s ILE 73 CO 0.11 -0.28 1.97 -0.62 0.00 0.00 0.00 174.94 176.13 1ict s ASP 74 N 1.56 4.74 0.15 3.58 2.15 -0.64 -2.17 116.67 126.04 1ict s ASP 74 Ca -0.00 -1.44 -0.07 0.00 0.43 0.00 0.00 52.55 51.46 1ict s ASP 74 Cb -0.20 -2.59 -0.01 0.00 -0.30 0.00 0.00 42.92 39.81 1ict s ASP 74 CO 0.02 -3.36 1.42 0.71 -0.17 0.00 0.00 175.17 173.79 1ict h THR 75 N 6.38 1.31 -0.33 1.71 1.35 -1.87 -3.34 112.91 118.13 1ict h THR 75 Ca 0.17 -1.88 0.07 0.00 -0.55 0.00 0.00 66.41 64.22 1ict h THR 75 Cb 0.95 1.84 -0.07 0.00 -1.73 0.00 0.00 68.15 69.14 1ict h THR 75 CO 1.18 0.59 -0.17 0.50 -0.25 0.00 0.00 175.52 177.37 1ict h LYS 76 N 0.49 -0.12 -0.67 4.72 3.64 -1.73 -2.45 116.57 120.46 1ict h LYS 76 Ca -0.01 0.01 0.13 0.00 -1.27 0.00 0.00 60.65 59.50 1ict h LYS 76 Cb 1.22 0.03 -0.09 0.00 -0.41 0.00 0.00 32.23 32.98 1ict h LYS 76 CO 0.13 -0.08 0.19 0.77 -2.27 0.00 0.00 179.45 178.19 1ict h SER 77 N -0.13 0.10 0.04 4.20 0.02 -1.87 -1.52 113.55 114.40 1ict h SER 77 Ca 0.17 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 61.23 1ict h SER 77 Cb 0.38 0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.05 1ict h SER 77 CO -0.41 0.04 -0.08 0.22 -1.14 0.00 0.00 176.83 175.47 1ict h TYR 78 N 0.33 -0.23 -0.68 3.45 3.20 -1.59 -2.75 116.97 118.70 1ict h TYR 78 Ca 0.36 0.00 0.16 0.00 3.14 0.00 0.00 58.73 62.39 1ict h TYR 78 Cb 0.54 0.09 -0.04 0.00 1.54 0.00 0.00 36.73 38.87 1ict h TYR 78 CO -0.22 -0.10 0.47 -1.49 -1.64 0.00 0.00 178.16 175.19 1ict h TRP 79 N -0.13 0.26 -0.40 -3.82 4.06 -1.38 -2.01 115.95 112.53 1ict h TRP 79 Ca -0.00 0.01 0.03 0.00 2.06 0.00 0.00 58.89 60.98 1ict h TRP 79 Cb 0.12 -0.08 -0.03 0.00 -1.00 0.00 0.00 29.16 28.17 1ict h TRP 79 CO -0.23 0.10 0.20 0.87 -3.56 0.00 0.00 178.44 175.82 1ict h LYS 80 N 0.22 0.40 -1.16 0.49 1.79 -0.99 -2.62 116.57 114.70 1ict h LYS 80 Ca 0.33 -0.02 0.34 0.00 -2.18 0.00 0.00 60.65 59.11 1ict h LYS 80 Cb 0.99 -0.09 -0.05 0.00 -1.58 0.00 0.00 32.23 31.50 1ict h LYS 80 CO -0.07 0.26 0.83 0.00 -1.08 0.00 0.00 179.45 179.40 1ict h ALA 81 N 1.21 3.08 -0.08 3.86 0.00 -1.16 0.49 119.26 126.66 1ict h ALA 81 Ca 0.17 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1ict h ALA 81 Cb 0.07 0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1ict h ALA 81 CO -0.12 -1.41 0.00 -0.11 0.00 0.00 0.00 179.25 177.61 1ict n LEU 82 N -4.20 1.95 0.00 0.00 7.94 -1.00 -4.92 117.00 116.76 1ict n LEU 82 Ca 0.25 -0.70 0.00 0.00 -1.11 0.00 0.00 56.01 54.45 1ict n LEU 82 Cb 1.21 -0.04 0.00 0.00 0.53 0.00 0.00 43.42 45.12 1ict n LEU 82 CO 0.40 0.35 0.00 0.61 -1.11 0.00 0.00 177.39 177.64 1ict n GLY 83 N 1.22 0.62 3.78 -3.96 0.00 0.17 -5.05 105.19 101.96 1ict n GLY 83 Ca 0.17 -0.41 -0.36 0.00 0.00 0.00 0.00 46.02 45.42 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 5.38 -0.72 -0.61 1.01 -1.12 -5.04 121.20 118.09 1ict s ILE 84 Ca 0.00 0.35 -0.18 0.00 0.00 0.00 0.00 60.65 60.81 1ict s ILE 84 Cb 0.00 -3.52 0.13 0.00 0.01 0.00 0.00 42.46 39.08 1ict s ILE 84 CO 0.00 0.48 0.83 -0.44 0.00 0.00 0.00 174.94 175.82 1ict s SER 85 N -0.08 6.39 0.89 3.58 0.01 -1.26 -3.79 113.70 119.45 1ict s SER 85 Ca 0.13 -1.78 -0.12 0.00 1.31 0.00 0.00 55.95 55.50 1ict s SER 85 Cb -0.12 -2.32 0.13 0.00 0.21 0.00 0.00 66.02 63.92 1ict s SER 85 CO 0.02 -1.03 1.11 -2.16 0.41 0.00 0.00 173.24 171.59 1ict s PRO 86 N 2.33 1.29 -0.13 12.44 0.04 -1.26 -4.96 135.00 144.75 1ict s PRO 86 Ca 0.18 0.55 -0.11 0.00 0.04 0.00 0.00 61.00 61.67 1ict s PRO 86 Cb -0.17 -1.83 -0.08 0.00 0.04 0.00 0.00 34.50 32.46 1ict s PRO 86 CO 0.00 -2.15 0.11 0.35 0.04 0.00 0.00 177.00 175.35 1ict h PHE 87 N -1.47 0.00 -3.86 0.56 3.57 -1.85 -3.48 116.94 110.41 1ict h PHE 87 Ca -0.50 0.00 -0.48 0.00 3.53 0.00 0.00 57.97 60.52 1ict h PHE 87 Cb 1.30 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.04 1ict h PHE 87 CO 0.37 0.37 0.38 -1.01 -2.23 0.00 0.00 178.31 176.19 1ict s HIS 88 N -1.97 3.66 0.24 0.41 0.09 -1.26 -4.96 115.29 111.50 1ict s HIS 88 Ca -0.11 1.78 -0.03 0.00 -0.00 0.00 0.00 55.06 56.69 1ict s HIS 88 Cb 0.01 -3.03 0.27 0.00 -0.00 0.00 0.00 32.58 29.83 1ict s HIS 88 CO 0.26 -0.01 1.72 0.93 -0.00 0.00 0.00 174.74 177.64 1ict h GLU 89 N 3.38 0.82 -1.40 1.40 4.39 -1.99 -3.37 114.58 117.80 1ict h GLU 89 Ca -0.47 -0.25 0.32 0.00 0.34 0.00 0.00 59.36 59.31 1ict h GLU 89 Cb 1.20 -0.08 -0.14 0.00 -0.10 0.00 0.00 28.75 29.63 1ict h GLU 89 CO 0.65 0.85 0.85 -3.38 -1.16 0.00 0.00 179.01 176.82 1ict s HIS 90 N -4.90 -0.05 -0.14 4.33 -3.43 -1.26 -3.70 115.29 106.13 1ict s HIS 90 Ca -0.10 -0.03 -0.05 0.00 -0.80 0.00 0.00 55.06 54.09 1ict s HIS 90 Cb 0.14 0.53 -0.04 0.00 -1.43 0.00 0.00 32.58 31.79 1ict s HIS 90 CO 0.82 -0.23 0.03 0.00 -2.00 0.00 0.00 174.74 173.36 1ict s ALA 91 N -2.37 3.32 0.05 -1.38 0.00 -0.92 -4.93 121.76 115.53 1ict s ALA 91 Ca 0.13 -0.77 0.09 0.00 0.00 0.00 0.00 51.96 51.41 1ict s ALA 91 Cb 0.04 -1.72 -0.03 0.00 0.00 0.00 0.00 23.12 21.41 1ict s ALA 91 CO -0.04 0.34 -0.25 -1.21 0.00 0.00 0.00 175.76 174.59 1ict s GLU 92 N -0.10 1.68 -0.41 0.00 2.02 -1.26 -0.96 118.70 119.66 1ict s GLU 92 Ca 0.05 -1.10 0.02 0.00 0.02 0.00 0.00 54.97 53.96 1ict s GLU 92 Cb -0.12 -1.87 0.15 0.00 0.10 0.00 0.00 34.13 32.38 1ict s GLU 92 CO 0.02 0.48 0.26 0.08 0.02 0.00 0.00 175.26 176.12 1ict s VAL 93 N -0.83 0.72 -0.01 2.63 1.01 -1.14 -5.01 120.40 117.76 1ict s VAL 93 Ca 0.11 -2.30 -0.21 0.00 0.00 0.00 0.00 61.98 59.58 1ict s VAL 93 Cb -0.10 -1.51 -0.05 0.00 0.00 0.00 0.00 36.38 34.72 1ict s VAL 93 CO 0.02 -1.01 0.60 -0.69 0.00 0.00 0.00 175.10 174.03 1ict s VAL 94 N 0.51 4.92 0.09 2.92 1.01 -1.26 -2.41 120.40 126.18 1ict s VAL 94 Ca 0.21 1.26 -0.25 0.00 0.00 0.00 0.00 61.98 63.20 1ict s VAL 94 Cb -0.17 -3.94 0.08 0.00 0.00 0.00 0.00 36.38 32.35 1ict s VAL 94 CO -0.04 0.40 0.69 0.72 0.00 0.00 0.00 175.10 176.87 1ict s PHE 95 N -0.09 -0.50 -0.10 5.22 -0.12 -0.74 -5.00 117.98 116.64 1ict s PHE 95 Ca 0.32 0.40 -0.23 0.00 -0.05 0.00 0.00 56.93 57.37 1ict s PHE 95 Cb -0.18 0.53 -0.03 0.00 -0.63 0.00 0.00 43.02 42.71 1ict s PHE 95 CO 0.17 -0.73 0.72 0.99 -0.05 0.00 0.00 175.22 176.31 1ict s THR 96 N -3.22 5.01 0.25 -4.49 2.01 -1.26 0.14 115.64 114.08 1ict s THR 96 Ca 0.00 1.45 0.05 0.00 0.31 0.00 0.00 61.69 63.50 1ict s THR 96 Cb -0.01 -4.05 -0.03 0.00 0.01 0.00 0.00 72.50 68.43 1ict s THR 96 CO -0.09 0.19 0.37 0.00 -0.69 0.00 0.00 174.62 174.40 1ict s ALA 97 N 1.22 3.97 0.00 7.40 0.00 0.22 -4.80 121.76 129.76 1ict s ALA 97 Ca 0.36 -1.27 0.00 0.00 0.00 0.00 0.00 51.96 51.05 1ict s ALA 97 Cb -0.17 -1.71 0.00 0.00 0.00 0.00 0.00 23.12 21.24 1ict s ALA 97 CO 0.16 0.20 0.00 0.09 0.00 0.00 0.00 175.76 176.21 1ict n ASN 98 N -1.44 0.00 -1.21 0.00 5.03 -1.26 -3.33 115.26 113.05 1ict n ASN 98 Ca -0.08 0.00 0.08 0.00 0.87 0.00 0.00 54.58 55.45 1ict n ASN 98 Cb 0.57 0.00 0.29 0.00 -1.02 0.00 0.00 39.78 39.63 1ict n ASN 98 CO 0.00 0.00 0.00 -0.90 -1.83 0.00 0.00 177.26 174.53 1ict n ASP 99 N 0.41 4.27 -2.81 6.41 5.75 -1.26 -4.53 116.55 124.79 1ict n ASP 99 Ca 0.00 -2.65 -0.11 0.00 -0.01 0.00 0.00 54.79 52.02 1ict n ASP 99 Cb 0.00 -0.52 0.06 0.00 -1.03 0.00 0.00 41.12 39.63 1ict n ASP 99 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1ict n SER 100 N 0.34 -1.94 -0.69 -1.12 7.64 -1.26 -5.12 113.62 111.47 1ict n SER 100 Ca 0.22 -3.52 0.07 0.00 1.01 0.00 0.00 58.87 56.65 1ict n SER 100 Cb 0.86 1.50 -0.04 0.00 -1.01 0.00 0.00 64.21 65.52 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 0.59 -3.06 3.63 0.23 0.00 -1.26 -4.80 105.19 100.52 1ict n GLY 101 Ca 0.09 -1.23 -0.46 0.00 0.00 0.00 0.00 46.02 44.42 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 -2.92 1.63 -3.83 1.61 -0.02 -1.26 -4.83 135.00 125.38 1ict n PRO 102 Ca -0.04 0.58 -0.13 0.00 -2.02 0.00 0.00 63.50 61.90 1ict n PRO 102 Cb 0.31 -2.16 -0.14 0.00 -0.02 0.00 0.00 33.50 31.49 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 -0.45 0.08 -0.22 -0.52 0.52 -1.26 -4.56 118.95 112.53 1ict s ARG 103 Ca 0.70 0.14 -0.25 0.00 -0.52 0.00 0.00 55.73 55.80 1ict s ARG 103 Cb -0.74 -0.00 -0.01 0.00 0.52 0.00 0.00 34.95 34.72 1ict s ARG 103 CO 0.51 -0.04 0.84 1.03 0.02 0.00 0.00 175.30 177.67 1ict s ARG 104 N 0.24 4.22 0.01 3.54 0.52 0.84 -4.86 118.95 123.46 1ict s ARG 104 Ca -0.02 0.99 -0.02 0.00 -0.52 0.00 0.00 55.73 56.17 1ict s ARG 104 Cb -0.03 -3.62 -0.04 0.00 0.52 0.00 0.00 34.95 31.78 1ict s ARG 104 CO -0.01 -0.47 0.17 0.71 0.02 0.00 0.00 175.30 175.72 1ict s TYR 105 N 2.67 3.49 -0.27 -0.53 1.51 -1.17 -1.47 117.35 121.57 1ict s TYR 105 Ca 0.36 0.31 -0.03 0.00 -1.01 0.00 0.00 57.07 56.70 1ict s TYR 105 Cb -0.16 -1.79 0.11 0.00 -0.11 0.00 0.00 41.96 40.01 1ict s TYR 105 CO 0.09 0.62 0.20 0.99 -1.11 0.00 0.00 175.55 176.33 1ict s THR 106 N -1.33 -0.22 -0.26 -0.71 2.01 -0.97 -2.31 115.64 111.85 1ict s THR 106 Ca 0.28 -0.54 -0.22 0.00 0.31 0.00 0.00 61.69 61.52 1ict s THR 106 Cb -0.13 -0.92 -0.01 0.00 0.01 0.00 0.00 72.50 71.46 1ict s THR 106 CO 0.19 -0.54 0.72 -0.63 -0.69 0.00 0.00 174.62 173.68 1ict s ILE 107 N 2.22 4.91 0.06 1.82 -1.09 -1.08 -1.66 121.20 126.38 1ict s ILE 107 Ca 0.08 1.29 0.06 0.00 -2.23 0.00 0.00 60.65 59.85 1ict s ILE 107 Cb -0.15 -4.03 -0.04 0.00 -1.58 0.00 0.00 42.46 36.66 1ict s ILE 107 CO -0.30 -0.05 -0.10 0.00 -1.23 0.00 0.00 174.94 173.26 1ict s ALA 108 N 2.69 2.93 -0.06 9.38 0.00 -0.09 -2.50 121.76 134.12 1ict s ALA 108 Ca 0.30 -1.16 -0.03 0.00 0.00 0.00 0.00 51.96 51.07 1ict s ALA 108 Cb -0.15 -0.96 0.03 0.00 0.00 0.00 0.00 23.12 22.04 1ict s ALA 108 CO 0.09 0.62 0.13 0.00 0.00 0.00 0.00 175.76 176.60 1ict s ALA 109 N -1.10 -0.25 -0.20 0.00 0.00 -0.87 -1.86 121.76 117.48 1ict s ALA 109 Ca 0.19 0.55 -0.06 0.00 0.00 0.00 0.00 51.96 52.63 1ict s ALA 109 Cb -0.11 -0.36 -0.03 0.00 0.00 0.00 0.00 23.12 22.62 1ict s ALA 109 CO 0.11 -0.12 0.04 -1.17 0.00 0.00 0.00 175.76 174.61 1ict s LEU 110 N 0.82 3.50 0.10 0.00 2.96 -0.36 0.75 118.68 126.46 1ict s LEU 110 Ca -0.06 -0.10 0.05 0.00 -0.22 0.00 0.00 54.13 53.80 1ict s LEU 110 Cb -0.08 -1.90 -0.04 0.00 0.50 0.00 0.00 46.19 44.67 1ict s LEU 110 CO -0.04 0.09 -0.00 -0.76 -1.32 0.00 0.00 176.35 174.31 1ict s LEU 111 N 0.89 3.43 -0.21 -0.68 1.43 -0.67 -1.22 118.68 121.65 1ict s LEU 111 Ca 0.03 -0.22 -0.27 0.00 -1.03 0.00 0.00 54.13 52.64 1ict s LEU 111 Cb -0.14 -2.15 0.09 0.00 0.03 0.00 0.00 46.19 44.01 1ict s LEU 111 CO 0.02 0.16 0.80 -0.55 0.23 0.00 0.00 176.35 177.01 1ict s SER 112 N -2.42 -0.64 0.02 2.29 0.15 -0.50 -1.13 113.70 111.47 1ict s SER 112 Ca 0.26 1.08 -0.04 0.00 0.70 0.00 0.00 55.95 57.95 1ict s SER 112 Cb -0.11 1.05 -0.01 0.00 -1.71 0.00 0.00 66.02 65.23 1ict s SER 112 CO 0.18 -0.32 0.63 -2.65 1.20 0.00 0.00 173.24 172.28 1ict n PRO 113 N 2.03 -0.06 0.00 5.44 -0.02 -1.26 -2.19 135.00 138.94 1ict n PRO 113 Ca -0.15 0.62 0.11 0.00 -2.02 0.00 0.00 63.50 62.07 1ict n PRO 113 Cb 0.56 -0.93 0.09 0.00 -0.02 0.00 0.00 33.50 33.20 1ict n PRO 113 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1ict n TYR 114 N -3.11 0.00 -3.87 6.00 4.02 -1.26 -2.73 117.16 116.21 1ict n TYR 114 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.78 1ict n TYR 114 Cb 0.04 0.00 -0.13 0.00 -0.02 0.00 0.00 39.34 39.22 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 -1.86 0.01 0.02 7.72 0.15 -0.93 -4.89 113.70 113.92 1ict s SER 115 Ca 0.25 -0.02 -0.01 0.00 0.70 0.00 0.00 55.95 56.87 1ict s SER 115 Cb 0.18 0.05 -0.02 0.00 -1.71 0.00 0.00 66.02 64.53 1ict s SER 115 CO 0.29 -0.04 -0.00 -0.72 1.20 0.00 0.00 173.24 173.96 1ict s TYR 116 N -0.16 0.24 0.15 3.44 -0.85 -1.26 -1.41 117.35 117.50 1ict s TYR 116 Ca -0.02 -0.50 0.11 0.00 -0.52 0.00 0.00 57.07 56.14 1ict s TYR 116 Cb -0.01 -0.18 -0.04 0.00 0.38 0.00 0.00 41.96 42.11 1ict s TYR 116 CO -0.00 -0.22 -0.26 -1.12 -1.52 0.00 0.00 175.55 172.43 1ict s SER 117 N -1.55 3.32 -0.25 -0.18 0.01 -0.35 -4.97 113.70 109.72 1ict s SER 117 Ca -0.14 -0.79 -0.02 0.00 1.31 0.00 0.00 55.95 56.31 1ict s SER 117 Cb -0.08 -0.23 0.14 0.00 0.21 0.00 0.00 66.02 66.06 1ict s SER 117 CO -0.01 0.15 0.39 0.28 0.41 0.00 0.00 173.24 174.46 1ict s THR 118 N -1.28 -0.62 0.25 1.44 -1.32 -1.26 -1.22 115.64 111.63 1ict s THR 118 Ca 0.16 -0.10 0.07 0.00 -1.21 0.00 0.00 61.69 60.61 1ict s THR 118 Cb -0.09 -0.84 -0.04 0.00 -1.51 0.00 0.00 72.50 70.02 1ict s THR 118 CO 0.07 -0.14 0.15 0.28 -2.21 0.00 0.00 174.62 172.77 1ict s THR 119 N 2.55 4.25 -0.20 5.08 -1.32 -0.78 -4.94 115.64 120.29 1ict s THR 119 Ca 0.13 -1.47 0.00 0.00 -1.21 0.00 0.00 61.69 59.13 1ict s THR 119 Cb -0.15 -3.28 0.05 0.00 -1.51 0.00 0.00 72.50 67.60 1ict s THR 119 CO -0.18 -0.33 -0.07 0.00 -2.21 0.00 0.00 174.62 171.83 1ict s ALA 120 N -2.13 1.76 -0.49 11.08 0.00 -1.26 -0.91 121.76 129.81 1ict s ALA 120 Ca 0.32 -1.08 -0.16 0.00 0.00 0.00 0.00 51.96 51.04 1ict s ALA 120 Cb -0.08 -1.26 0.09 0.00 0.00 0.00 0.00 23.12 21.87 1ict s ALA 120 CO 0.24 -0.92 0.42 0.08 0.00 0.00 0.00 175.76 175.59 1ict s VAL 121 N 1.50 5.21 -0.24 0.00 1.01 -0.66 -4.97 120.40 122.26 1ict s VAL 121 Ca -0.02 -1.19 -0.08 0.00 0.00 0.00 0.00 61.98 60.69 1ict s VAL 121 Cb -0.17 -4.18 -0.03 0.00 0.00 0.00 0.00 36.38 32.00 1ict s VAL 121 CO -0.07 -0.66 0.08 -0.69 0.00 0.00 0.00 175.10 173.76 1ict s VAL 122 N 1.63 4.51 0.02 2.92 1.01 -1.26 -2.29 120.40 126.94 1ict s VAL 122 Ca 0.04 -0.11 0.02 0.00 0.00 0.00 0.00 61.98 61.93 1ict s VAL 122 Cb -0.26 -3.10 -0.01 0.00 0.00 0.00 0.00 36.38 33.01 1ict s VAL 122 CO 0.06 0.35 -0.07 0.42 0.00 0.00 0.00 175.10 175.85 1ict s THR 123 N 1.41 0.56 0.47 3.92 -4.23 -0.54 -5.00 115.64 112.21 1ict s THR 123 Ca 0.06 -0.64 -0.19 0.00 -1.18 0.00 0.00 61.69 59.73 1ict s THR 123 Cb -0.15 -0.54 -0.09 0.00 1.34 0.00 0.00 72.50 73.06 1ict s THR 123 CO 0.04 -0.08 0.98 0.21 -0.54 0.00 0.00 174.62 175.23 1ict s ASN 124 N -0.79 6.71 0.00 3.99 2.47 -1.26 -0.11 114.94 125.95 1ict s ASN 124 Ca -0.02 1.69 0.18 0.00 0.42 0.00 0.00 52.86 55.12 1ict s ASN 124 Cb -0.06 -2.53 1.05 0.00 -1.45 0.00 0.00 41.25 38.26 1ict s ASN 124 CO 0.00 -0.52 1.45 -2.65 -3.72 0.00 0.00 177.10 171.66