#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kit s ILE 2 N 0.00 4.86 0.26 2.02 -1.09 0.50 -4.81 121.20 122.95 3kit s ILE 2 Ca 0.00 1.77 0.01 0.00 -2.23 0.00 0.00 60.65 60.20 3kit s ILE 2 Cb 0.00 -4.19 -0.05 0.00 -1.58 0.00 0.00 42.46 36.65 3kit s ILE 2 CO 0.00 0.25 0.12 0.00 -1.23 0.00 0.00 174.94 174.08 3kit s GLN 3 N 0.61 1.42 0.20 2.79 -2.07 -1.26 0.15 119.66 121.51 3kit s GLN 3 Ca 0.44 -1.78 -0.32 0.00 -1.82 0.00 0.00 55.36 51.88 3kit s GLN 3 Cb -0.20 -0.14 -0.11 0.00 -1.09 0.00 0.00 33.01 31.46 3kit s GLN 3 CO 0.24 -0.35 1.65 -1.25 -1.32 0.00 0.00 175.29 174.26 3kit s PRO 4 N -4.00 4.16 0.00 9.60 0.04 -1.26 -1.88 135.00 141.66 3kit s PRO 4 Ca 0.37 2.51 0.00 0.00 0.04 0.00 0.00 61.00 63.93 3kit s PRO 4 Cb 0.07 -3.10 0.00 0.00 0.04 0.00 0.00 34.50 31.51 3kit s PRO 4 CO 0.14 -0.68 0.00 0.94 0.04 0.00 0.00 177.00 177.44 3kit n GLN 5 N 3.73 0.00 -2.45 4.56 -0.06 0.39 -4.96 117.38 118.59 3kit n GLN 5 Ca 0.14 0.00 -0.40 0.00 -2.00 0.00 0.00 57.00 54.74 3kit n GLN 5 Cb 0.37 0.00 -0.04 0.00 -4.06 0.00 0.00 30.24 26.51 3kit n GLN 5 CO 0.00 0.00 0.00 0.99 -0.20 0.00 0.00 177.06 177.85 3kit s THR 6 N -2.14 3.44 -0.10 1.69 2.01 -0.79 -4.70 115.64 115.06 3kit s THR 6 Ca 0.00 1.44 -0.17 0.00 0.31 0.00 0.00 61.69 63.27 3kit s THR 6 Cb 0.00 -3.91 -0.05 0.00 0.01 0.00 0.00 72.50 68.55 3kit s THR 6 CO 0.00 0.33 0.43 -0.31 -0.69 0.00 0.00 174.62 174.39 3kit s TYR 7 N -1.08 3.55 -0.07 4.92 1.51 -1.26 -0.93 117.35 123.98 3kit s TYR 7 Ca 0.45 0.86 0.05 0.00 -1.01 0.00 0.00 57.07 57.42 3kit s TYR 7 Cb -0.32 -2.46 -0.01 0.00 -0.11 0.00 0.00 41.96 39.06 3kit s TYR 7 CO 0.42 0.28 -0.24 -0.51 -1.11 0.00 0.00 175.55 174.38 3kit s LEU 8 N 0.25 2.07 0.03 -1.29 1.02 0.69 -4.81 118.68 116.64 3kit s LEU 8 Ca 0.24 -0.53 -0.30 0.00 0.02 0.00 0.00 54.13 53.56 3kit s LEU 8 Cb -0.15 -1.37 -0.05 0.00 0.02 0.00 0.00 46.19 44.63 3kit s LEU 8 CO 0.10 0.21 1.20 -0.70 0.02 0.00 0.00 176.35 177.17 3kit s GLU 9 N 0.06 4.41 -0.17 1.70 2.56 0.99 -2.06 118.70 126.19 3kit s GLU 9 Ca -0.10 1.75 -0.18 0.00 0.00 0.00 0.00 54.97 56.44 3kit s GLU 9 Cb -0.15 -3.40 -0.04 0.00 2.00 0.00 0.00 34.13 32.53 3kit s GLU 9 CO 0.06 -0.30 0.48 0.14 -0.56 0.00 0.00 175.26 175.07 3kit s VAL 10 N 1.35 5.15 -0.96 3.70 -7.23 -0.96 -1.15 120.40 120.30 3kit s VAL 10 Ca 0.58 0.90 -0.01 0.00 -1.81 0.00 0.00 61.98 61.64 3kit s VAL 10 Cb -0.28 -3.81 0.30 0.00 0.56 0.00 0.00 36.38 33.15 3kit s VAL 10 CO 0.28 0.24 1.40 0.00 -0.31 0.00 0.00 175.10 176.71 3kit n ALA 11 N 4.34 5.16 -3.83 1.32 0.00 -0.37 -4.88 120.51 122.25 3kit n ALA 11 Ca -0.06 -4.75 -0.05 0.00 0.00 0.00 0.00 53.44 48.58 3kit n ALA 11 Cb 0.51 -1.95 0.01 0.00 0.00 0.00 0.00 19.45 18.02 3kit n ALA 11 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 3kit s ASP 12 N -1.95 -0.07 -0.08 0.00 3.84 -1.26 -2.65 116.67 114.49 3kit s ASP 12 Ca 0.36 -0.69 0.18 0.00 -0.00 0.00 0.00 52.55 52.39 3kit s ASP 12 Cb 0.11 0.59 0.67 0.00 -1.38 0.00 0.00 42.92 42.92 3kit s ASP 12 CO 0.02 -1.15 1.57 -0.46 -0.00 0.00 0.00 175.17 175.15 3kit n ASN 13 N -0.98 4.35 0.02 2.11 0.23 -1.26 -4.44 115.26 115.29 3kit n ASN 13 Ca -0.05 -2.32 0.01 0.00 -0.53 0.00 0.00 54.58 51.68 3kit n ASN 13 Cb 0.60 -0.54 0.03 0.00 -2.08 0.00 0.00 39.78 37.79 3kit n ASN 13 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 3kit n THR 14 N 1.18 1.08 0.00 5.53 -2.24 -1.26 -4.68 114.28 113.88 3kit n THR 14 Ca 0.24 0.52 0.00 0.00 -2.27 0.00 0.00 64.05 62.55 3kit n THR 14 Cb 0.79 -1.52 0.00 0.00 -2.10 0.00 0.00 70.33 67.50 3kit n THR 14 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kit n GLY 15 N -1.28 1.48 3.82 3.38 0.00 -1.26 -3.06 105.19 108.26 3kit n GLY 15 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 3kit n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kit s ALA 16 N -2.42 3.34 -0.23 4.61 0.00 -1.26 -0.78 121.76 125.02 3kit s ALA 16 Ca 0.00 0.21 -0.08 0.00 0.00 0.00 0.00 51.96 52.09 3kit s ALA 16 Cb 0.00 -2.89 -0.11 0.00 0.00 0.00 0.00 23.12 20.12 3kit s ALA 16 CO 0.00 0.29 -0.27 0.54 0.00 0.00 0.00 175.76 176.32 3kit n ARG 17 N 0.43 0.50 -3.81 0.00 5.12 0.06 -4.73 116.66 114.23 3kit n ARG 17 Ca -0.00 0.19 -0.14 0.00 -1.93 0.00 0.00 57.85 55.97 3kit n ARG 17 Cb 0.51 -1.35 -0.15 0.00 -1.16 0.00 0.00 32.46 30.31 3kit n ARG 17 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 3kit s LYS 18 N -2.43 -0.02 0.07 5.56 1.02 -0.10 -2.27 119.74 121.58 3kit s LYS 18 Ca -0.32 0.12 0.09 0.00 0.02 0.00 0.00 55.97 55.89 3kit s LYS 18 Cb 0.11 -0.17 -0.03 0.00 -0.52 0.00 0.00 37.83 37.22 3kit s LYS 18 CO 0.43 -0.11 -0.25 0.96 -0.92 0.00 0.00 175.35 175.47 3kit s ILE 19 N 0.69 2.03 -0.11 2.17 -4.36 -0.88 -0.65 121.20 120.10 3kit s ILE 19 Ca -0.06 -1.45 -0.04 0.00 -0.26 0.00 0.00 60.65 58.85 3kit s ILE 19 Cb -0.08 -1.76 -0.04 0.00 1.25 0.00 0.00 42.46 41.83 3kit s ILE 19 CO -0.02 0.23 0.04 -0.32 0.24 0.00 0.00 174.94 175.11 3kit s MET 20 N -1.47 3.21 -0.03 0.37 -2.45 0.83 -0.22 119.30 119.54 3kit s MET 20 Ca 0.11 -0.34 -0.30 0.00 -1.25 0.00 0.00 55.69 53.91 3kit s MET 20 Cb -0.10 -2.93 -0.05 0.00 1.25 0.00 0.00 34.83 33.00 3kit s MET 20 CO 0.03 0.67 1.43 0.00 1.05 0.00 0.00 175.02 178.20 3kit n ILE 22 N 4.89 1.47 -3.61 0.00 2.08 -0.05 -0.46 119.36 123.68 3kit n ILE 22 Ca 0.14 -0.81 -0.08 0.00 0.56 0.00 0.00 62.75 62.57 3kit n ILE 22 Cb 0.44 -0.75 -0.05 0.00 -0.75 0.00 0.00 39.64 38.52 3kit n ILE 22 CO 0.00 0.00 0.00 -0.60 0.56 0.00 0.00 176.55 176.51 3kit s ARG 23 N -2.52 0.40 -0.17 0.38 3.52 -1.13 -4.82 118.95 114.62 3kit s ARG 23 Ca -0.12 0.14 -0.15 0.00 -0.13 0.00 0.00 55.73 55.48 3kit s ARG 23 Cb 0.07 0.19 -0.04 0.00 -1.56 0.00 0.00 34.95 33.61 3kit s ARG 23 CO 0.80 -0.12 0.35 0.54 -0.81 0.00 0.00 175.30 176.07 3kit s VAL 24 N -0.90 5.26 -0.32 7.11 0.11 -1.26 -0.82 120.40 129.57 3kit s VAL 24 Ca 0.02 0.66 0.03 0.00 -2.93 0.00 0.00 61.98 59.76 3kit s VAL 24 Cb -0.01 -3.69 0.30 0.00 -1.53 0.00 0.00 36.38 31.45 3kit s VAL 24 CO -0.03 0.33 1.28 0.18 -3.33 0.00 0.00 175.10 173.54 3kit n LEU 25 N 3.89 4.13 0.00 2.54 4.77 -0.28 -4.74 117.00 127.31 3kit n LEU 25 Ca -0.10 -2.14 0.00 0.00 -0.03 0.00 0.00 56.01 53.74 3kit n LEU 25 Cb 0.52 -0.62 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 3kit n LEU 25 CO 0.40 0.64 0.00 0.29 -1.33 0.00 0.00 177.39 177.39 3kit n LYS 26 N -0.06 0.00 0.00 3.23 5.02 -1.26 -4.90 118.16 120.18 3kit n LYS 26 Ca 0.21 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.50 3kit n LYS 26 Cb 0.90 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.91 3kit n LYS 26 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kit n GLY 27 N 3.63 0.65 0.93 0.72 0.00 -1.26 -4.93 105.19 104.93 3kit n GLY 27 Ca 0.00 -1.32 0.08 0.00 0.00 0.00 0.00 46.02 44.77 3kit n GLY 27 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kit n SER 28 N 0.00 3.70 0.00 1.61 3.41 -1.26 -4.61 113.62 116.47 3kit n SER 28 Ca 0.00 -2.52 0.00 0.00 -0.26 0.00 0.00 58.87 56.09 3kit n SER 28 Cb 0.00 -0.43 0.00 0.00 -0.26 0.00 0.00 64.21 63.52 3kit n SER 28 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3kit n ASN 29 N 0.19 0.00 -4.71 4.04 0.23 -1.26 -5.14 115.26 108.61 3kit n ASN 29 Ca 0.18 0.00 -0.42 0.00 -0.53 0.00 0.00 54.58 53.81 3kit n ASN 29 Cb 0.72 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 38.39 3kit n ASN 29 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3kit s ALA 30 N 0.00 3.86 0.01 -2.53 0.00 -1.26 -4.91 121.76 116.93 3kit s ALA 30 Ca 0.00 1.53 -0.25 0.00 0.00 0.00 0.00 51.96 53.24 3kit s ALA 30 Cb 0.00 -3.73 -0.17 0.00 0.00 0.00 0.00 23.12 19.22 3kit s ALA 30 CO 0.00 -1.06 1.26 0.87 0.00 0.00 0.00 175.76 176.83 3kit h LYS 31 N 7.60 -0.31 -5.61 0.00 1.57 -1.97 -3.46 116.57 114.39 3kit h LYS 31 Ca -0.44 0.02 -0.57 0.00 -1.87 0.00 0.00 60.65 57.79 3kit h LYS 31 Cb 1.21 0.07 -0.13 0.00 0.08 0.00 0.00 32.23 33.45 3kit h LYS 31 CO 0.95 0.02 -0.63 0.71 -0.57 0.00 0.00 179.45 179.93 3kit s TYR 32 N -4.66 2.28 -0.00 -1.35 1.51 -1.26 -4.71 117.35 109.16 3kit s TYR 32 Ca -0.14 -0.69 0.06 0.00 -1.01 0.00 0.00 57.07 55.28 3kit s TYR 32 Cb 0.02 -1.46 -0.02 0.00 -0.11 0.00 0.00 41.96 40.39 3kit s TYR 32 CO 0.57 0.37 -0.18 0.00 -1.11 0.00 0.00 175.55 175.19 3kit s ALA 33 N -2.86 1.50 0.00 3.71 0.00 0.40 -4.92 121.76 119.59 3kit s ALA 33 Ca 0.34 -0.81 0.00 0.00 0.00 0.00 0.00 51.96 51.48 3kit s ALA 33 Cb 0.07 -0.36 0.00 0.00 0.00 0.00 0.00 23.12 22.83 3kit s ALA 33 CO 0.16 0.36 0.00 -2.37 0.00 0.00 0.00 175.76 173.91 3kit n THR 34 N 2.47 0.00 -1.68 0.00 5.66 -1.26 -0.37 114.28 119.09 3kit n THR 34 Ca -0.15 0.00 -0.50 0.00 -3.05 0.00 0.00 64.05 60.35 3kit n THR 34 Cb 0.54 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.27 3kit n THR 34 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 3kit n VAL 35 N 0.00 0.43 -0.14 1.08 0.31 -1.26 -0.77 118.33 117.99 3kit n VAL 35 Ca 0.00 -0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 3kit n VAL 35 Cb 0.00 -1.66 0.00 0.00 -0.91 0.00 0.00 33.84 31.27 3kit n VAL 35 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3kit n GLY 36 N 4.17 0.57 3.88 2.92 0.00 0.22 -4.81 105.19 112.14 3kit n GLY 36 Ca 0.23 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.90 3kit n GLY 36 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kit s ASP 37 N -2.93 6.52 0.02 1.61 1.01 0.06 -4.86 116.67 118.09 3kit s ASP 37 Ca 0.00 0.60 -0.09 0.00 0.71 0.00 0.00 52.55 53.77 3kit s ASP 37 Cb 0.00 -2.10 -0.05 0.00 1.01 0.00 0.00 42.92 41.78 3kit s ASP 37 CO 0.00 0.21 0.32 -0.69 0.21 0.00 0.00 175.17 175.22 3kit s VAL 38 N -1.37 5.22 0.04 -1.27 1.01 -1.26 -1.09 120.40 121.68 3kit s VAL 38 Ca 0.31 0.36 -0.09 0.00 0.00 0.00 0.00 61.98 62.55 3kit s VAL 38 Cb -0.13 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.65 3kit s VAL 38 CO 0.18 0.40 0.19 0.27 0.00 0.00 0.00 175.10 176.14 3kit s ILE 39 N -1.27 0.11 0.31 2.22 -4.36 0.70 -1.12 121.20 117.79 3kit s ILE 39 Ca 0.27 -0.89 -0.09 0.00 -0.26 0.00 0.00 60.65 59.68 3kit s ILE 39 Cb -0.14 -0.88 -0.07 0.00 1.25 0.00 0.00 42.46 42.63 3kit s ILE 39 CO 0.15 -0.49 0.63 -0.69 0.24 0.00 0.00 174.94 174.78 3kit s VAL 40 N -2.48 4.89 0.21 8.37 1.01 0.00 -0.96 120.40 131.44 3kit s VAL 40 Ca -0.06 0.44 -0.22 0.00 0.00 0.00 0.00 61.98 62.14 3kit s VAL 40 Cb -0.01 -3.68 0.05 0.00 0.00 0.00 0.00 36.38 32.73 3kit s VAL 40 CO -0.03 -0.29 0.64 0.00 0.00 0.00 0.00 175.10 175.42 3kit s ALA 41 N -2.07 -1.39 0.03 5.51 0.00 0.18 -0.87 121.76 123.14 3kit s ALA 41 Ca 0.48 0.10 0.03 0.00 0.00 0.00 0.00 51.96 52.58 3kit s ALA 41 Cb -0.11 0.87 -0.04 0.00 0.00 0.00 0.00 23.12 23.85 3kit s ALA 41 CO 0.26 -0.88 -0.04 0.45 0.00 0.00 0.00 175.76 175.55 3kit s SER 42 N -2.83 4.80 -0.53 0.00 0.15 0.05 -0.07 113.70 115.27 3kit s SER 42 Ca 0.06 -0.14 -0.22 0.00 0.70 0.00 0.00 55.95 56.35 3kit s SER 42 Cb -0.03 -1.14 0.05 0.00 -1.71 0.00 0.00 66.02 63.19 3kit s SER 42 CO -0.04 0.25 0.80 -0.69 1.20 0.00 0.00 173.24 174.76 3kit s VAL 43 N -1.10 4.61 0.12 4.45 1.01 -1.01 -0.12 120.40 128.36 3kit s VAL 43 Ca 0.20 -0.06 -0.03 0.00 0.00 0.00 0.00 61.98 62.08 3kit s VAL 43 Cb -0.11 -4.43 -0.20 0.00 0.00 0.00 0.00 36.38 31.64 3kit s VAL 43 CO 0.11 -0.97 1.28 0.11 0.00 0.00 0.00 175.10 175.63 3kit h LYS 44 N 9.17 0.36 -2.64 2.72 1.79 -1.22 -1.32 116.57 125.43 3kit h LYS 44 Ca -0.27 -0.42 -0.11 0.00 -2.18 0.00 0.00 60.65 57.67 3kit h LYS 44 Cb 1.08 0.13 -0.24 0.00 -1.58 0.00 0.00 32.23 31.62 3kit h LYS 44 CO 1.03 1.11 -0.19 -1.83 -1.08 0.00 0.00 179.45 178.49 3kit s GLU 45 N -3.15 0.52 0.11 3.15 -1.05 -0.82 -4.86 118.70 112.61 3kit s GLU 45 Ca -0.05 0.64 -0.07 0.00 -0.15 0.00 0.00 54.97 55.34 3kit s GLU 45 Cb 0.09 0.24 -0.01 0.00 -0.44 0.00 0.00 34.13 34.00 3kit s GLU 45 CO 0.86 -0.07 0.18 0.00 0.95 0.00 0.00 175.26 177.18 3kit s ALA 46 N 0.31 0.09 0.62 -0.84 0.00 -1.26 -0.76 121.76 119.92 3kit s ALA 46 Ca -0.01 -0.89 -0.15 0.00 0.00 0.00 0.00 51.96 50.91 3kit s ALA 46 Cb -0.03 0.64 -0.02 0.00 0.00 0.00 0.00 23.12 23.70 3kit s ALA 46 CO -0.00 -0.54 1.06 -1.50 0.00 0.00 0.00 175.76 174.78 3kit s ILE 47 N -3.93 3.78 0.00 0.00 2.07 0.04 -4.84 121.20 118.32 3kit s ILE 47 Ca 0.12 0.78 0.00 0.00 -1.41 0.00 0.00 60.65 60.14 3kit s ILE 47 Cb 0.05 -3.34 0.00 0.00 0.13 0.00 0.00 42.46 39.30 3kit s ILE 47 CO -0.06 -0.56 0.16 -2.65 -1.91 0.00 0.00 174.94 169.92 3kit n PRO 48 N -2.32 0.00 -0.73 3.50 -0.02 -1.26 -4.66 135.00 129.50 3kit n PRO 48 Ca 0.09 0.14 -0.29 0.00 -2.02 0.00 0.00 63.50 61.41 3kit n PRO 48 Cb 0.53 -0.66 0.25 0.00 -0.02 0.00 0.00 33.50 33.60 3kit n PRO 48 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3kit s ARG 49 N -0.31 -1.45 0.00 -0.52 1.81 -1.26 -4.98 118.95 112.24 3kit s ARG 49 Ca 0.00 0.32 0.00 0.00 -1.72 0.00 0.00 55.73 54.33 3kit s ARG 49 Cb 0.00 -1.54 0.00 0.00 -0.45 0.00 0.00 34.95 32.96 3kit s ARG 49 CO 0.00 -3.94 0.00 0.41 -0.68 0.00 0.00 175.30 171.09 3kit n GLY 50 N 0.21 3.40 0.11 -3.53 0.00 -1.26 -4.89 105.19 99.23 3kit n GLY 50 Ca 0.09 -1.84 -0.19 0.00 0.00 0.00 0.00 46.02 44.07 3kit n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kit h ALA 51 N 0.00 -0.06 -2.87 4.61 0.00 -1.89 -3.45 119.26 115.59 3kit h ALA 51 Ca 0.00 -0.66 -0.58 0.00 0.00 0.00 0.00 54.91 53.66 3kit h ALA 51 Cb 0.00 0.08 -0.09 0.00 0.00 0.00 0.00 17.79 17.79 3kit h ALA 51 CO 0.00 0.35 -0.12 0.08 0.00 0.00 0.00 179.25 179.55 3kit s VAL 52 N -2.54 5.17 0.35 0.00 1.01 -1.17 -5.09 120.40 118.13 3kit s VAL 52 Ca -0.14 0.93 0.07 0.00 0.00 0.00 0.00 61.98 62.85 3kit s VAL 52 Cb 0.01 -3.81 -0.02 0.00 0.00 0.00 0.00 36.38 32.56 3kit s VAL 52 CO 0.82 0.29 0.38 -0.54 0.00 0.00 0.00 175.10 176.05 3kit s LYS 53 N 0.90 2.87 0.32 2.72 -0.14 -1.26 -4.55 119.74 120.59 3kit s LYS 53 Ca 0.25 -1.20 -0.29 0.00 -1.36 0.00 0.00 55.97 53.37 3kit s LYS 53 Cb -0.15 -2.62 -0.10 0.00 -1.68 0.00 0.00 37.83 33.28 3kit s LYS 53 CO 0.10 0.04 1.23 -1.21 -0.76 0.00 0.00 175.35 174.75 3kit s GLU 54 N -4.09 4.43 0.00 1.68 2.02 -1.26 -3.27 118.70 118.20 3kit s GLU 54 Ca 0.44 2.06 0.00 0.00 0.02 0.00 0.00 54.97 57.49 3kit s GLU 54 Cb -0.07 -3.08 0.00 0.00 0.10 0.00 0.00 34.13 31.07 3kit s GLU 54 CO 0.29 -0.07 0.00 0.41 0.02 0.00 0.00 175.26 175.91 3kit n GLY 55 N 0.91 0.72 3.73 -1.39 0.00 -0.50 -4.96 105.19 103.70 3kit n GLY 55 Ca -0.00 -0.65 -0.35 0.00 0.00 0.00 0.00 46.02 45.02 3kit n GLY 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kit s ASP 56 N -2.62 5.88 -0.56 1.61 -0.00 -1.20 -4.87 116.67 114.90 3kit s ASP 56 Ca 0.00 0.23 -0.22 0.00 -0.00 0.00 0.00 52.55 52.56 3kit s ASP 56 Cb 0.00 -1.93 0.06 0.00 -0.00 0.00 0.00 42.92 41.04 3kit s ASP 56 CO 0.00 0.28 0.85 -0.69 -0.00 0.00 0.00 175.17 175.61 3kit s VAL 57 N -0.25 4.53 0.41 -1.27 1.01 -1.26 -2.40 120.40 121.17 3kit s VAL 57 Ca 0.09 -0.13 0.07 0.00 0.00 0.00 0.00 61.98 62.00 3kit s VAL 57 Cb -0.12 -4.50 -0.07 0.00 0.00 0.00 0.00 36.38 31.69 3kit s VAL 57 CO 0.01 -1.11 0.07 0.68 0.00 0.00 0.00 175.10 174.75 3kit s VAL 58 N 3.56 2.07 0.03 2.92 -7.23 0.90 -4.89 120.40 117.76 3kit s VAL 58 Ca 0.23 -1.90 0.03 0.00 -1.81 0.00 0.00 61.98 58.54 3kit s VAL 58 Cb -0.16 -2.97 -0.04 0.00 0.56 0.00 0.00 36.38 33.77 3kit s VAL 58 CO 0.15 0.00 -0.04 -0.54 -0.31 0.00 0.00 175.10 174.36 3kit s LYS 59 N -3.78 2.59 0.10 4.82 1.02 -1.26 0.51 119.74 123.74 3kit s LYS 59 Ca 0.36 -0.73 -0.21 0.00 0.02 0.00 0.00 55.97 55.41 3kit s LYS 59 Cb 0.08 -2.54 0.05 0.00 -0.52 0.00 0.00 37.83 34.89 3kit s LYS 59 CO 0.19 0.59 0.51 0.00 -0.92 0.00 0.00 175.35 175.72 3kit s ALA 60 N -1.10 -1.29 -0.12 5.17 0.00 -0.13 -0.15 121.76 124.15 3kit s ALA 60 Ca 0.20 0.40 -0.01 0.00 0.00 0.00 0.00 51.96 52.55 3kit s ALA 60 Cb -0.11 0.59 -0.02 0.00 0.00 0.00 0.00 23.12 23.58 3kit s ALA 60 CO 0.11 -0.61 -0.09 0.54 0.00 0.00 0.00 175.76 175.71 3kit s VAL 61 N -3.14 3.48 0.19 0.00 0.11 0.25 -0.21 120.40 121.07 3kit s VAL 61 Ca -0.01 -0.53 -0.30 0.00 -2.93 0.00 0.00 61.98 58.21 3kit s VAL 61 Cb -0.00 -2.46 -0.09 0.00 -1.53 0.00 0.00 36.38 32.30 3kit s VAL 61 CO -0.07 0.54 1.35 -0.69 -3.33 0.00 0.00 175.10 172.90 3kit s VAL 62 N -0.01 3.14 -0.00 2.04 1.01 -0.25 -0.89 120.40 125.44 3kit s VAL 62 Ca -0.01 0.91 0.00 0.00 0.00 0.00 0.00 61.98 62.87 3kit s VAL 62 Cb -0.14 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 32.67 3kit s VAL 62 CO 0.03 0.12 0.69 1.33 0.00 0.00 0.00 175.10 177.27 3kit n VAL 63 N 2.91 0.36 -3.16 2.92 0.24 -0.44 -0.61 118.33 120.54 3kit n VAL 63 Ca 0.08 -0.36 0.05 0.00 -2.04 0.00 0.00 64.34 62.07 3kit n VAL 63 Cb 0.42 0.81 -0.02 0.00 -1.47 0.00 0.00 33.84 33.58 3kit n VAL 63 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 3kit s ARG 64 N -0.37 0.19 0.22 7.34 3.52 -1.12 -3.49 118.95 125.23 3kit s ARG 64 Ca 0.00 0.34 0.08 0.00 -0.13 0.00 0.00 55.73 56.02 3kit s ARG 64 Cb 0.00 0.19 -0.04 0.00 -1.56 0.00 0.00 34.95 33.54 3kit s ARG 64 CO 0.00 -0.19 0.06 0.95 -0.81 0.00 0.00 175.30 175.31 3kit s THR 65 N 2.92 3.93 -0.78 4.11 -4.23 -1.25 0.04 115.64 120.37 3kit s THR 65 Ca -0.01 -1.50 0.24 0.00 -1.18 0.00 0.00 61.69 59.24 3kit s THR 65 Cb -0.10 -3.05 -0.01 0.00 1.34 0.00 0.00 72.50 70.68 3kit s THR 65 CO -0.11 -0.24 1.29 1.17 -0.54 0.00 0.00 174.62 176.19 3kit n LYS 66 N -0.61 0.17 -3.50 3.99 4.81 -1.17 -2.65 118.16 119.20 3kit n LYS 66 Ca -0.08 0.03 -0.39 0.00 -0.87 0.00 0.00 58.31 57.00 3kit n LYS 66 Cb 0.57 -1.59 -0.10 0.00 0.02 0.00 0.00 35.03 33.93 3kit n LYS 66 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 3kit s LYS 67 N -3.10 3.81 0.21 1.64 2.47 -1.26 -4.66 119.74 118.85 3kit s LYS 67 Ca 0.08 -0.32 -0.30 0.00 -1.56 0.00 0.00 55.97 53.87 3kit s LYS 67 Cb 0.15 -3.71 -0.16 0.00 -1.46 0.00 0.00 37.83 32.65 3kit s LYS 67 CO 0.73 -0.31 0.89 -0.85 0.16 0.00 0.00 175.35 175.97 3kit n GLU 68 N 5.19 0.78 -3.78 4.03 0.00 -1.26 -4.68 120.64 120.92 3kit n GLU 68 Ca -0.12 0.28 -0.37 0.00 0.00 0.00 0.00 57.16 56.95 3kit n GLU 68 Cb 0.51 -1.57 -0.06 0.00 0.00 0.00 0.00 31.44 30.32 3kit n GLU 68 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 3kit s ILE 69 N -0.76 5.41 0.03 3.84 1.09 -0.29 -4.90 121.20 125.63 3kit s ILE 69 Ca 0.66 0.32 -0.13 0.00 -1.10 0.00 0.00 60.65 60.41 3kit s ILE 69 Cb -0.85 -3.47 -0.06 0.00 -1.06 0.00 0.00 42.46 37.02 3kit s ILE 69 CO 0.57 0.58 0.40 -0.54 -0.10 0.00 0.00 174.94 175.84 3kit s LYS 70 N -0.76 3.85 -0.09 2.79 1.02 -1.26 -1.73 119.74 123.55 3kit s LYS 70 Ca 0.15 0.31 -0.02 0.00 0.02 0.00 0.00 55.97 56.44 3kit s LYS 70 Cb -0.13 -3.12 -0.03 0.00 -0.52 0.00 0.00 37.83 34.03 3kit s LYS 70 CO 0.05 0.64 -0.01 1.03 -0.92 0.00 0.00 175.35 176.13 3kit s ARG 71 N -1.42 3.05 0.62 1.68 1.81 0.43 -4.98 118.95 120.14 3kit s ARG 71 Ca 0.27 -0.45 0.35 0.00 -1.72 0.00 0.00 55.73 54.19 3kit s ARG 71 Cb -0.15 -2.78 1.92 0.00 -0.45 0.00 0.00 34.95 33.48 3kit s ARG 71 CO 0.15 0.63 2.08 -1.00 -0.68 0.00 0.00 175.30 176.48 3kit h PRO 72 N 5.40 0.00 0.00 3.54 0.13 -1.98 0.42 132.00 139.50 3kit h PRO 72 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3kit h PRO 72 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3kit h PRO 72 CO 0.55 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.92 3kit n ASP 73 N -2.88 0.00 0.00 1.44 5.68 -1.26 -4.87 116.55 114.66 3kit n ASP 73 Ca -0.02 -1.38 0.00 0.00 -0.50 0.00 0.00 54.79 52.88 3kit n ASP 73 Cb 0.21 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.19 3kit n ASP 73 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kit n GLY 74 N 0.68 1.01 4.00 6.12 0.00 0.15 -5.07 105.19 112.08 3kit n GLY 74 Ca 0.12 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.91 3kit n GLY 74 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kit s SER 75 N -2.89 4.37 0.04 1.61 1.04 -1.23 -4.84 113.70 111.80 3kit s SER 75 Ca 0.00 -0.48 -0.09 0.00 0.48 0.00 0.00 55.95 55.86 3kit s SER 75 Cb 0.00 0.12 0.00 0.00 0.10 0.00 0.00 66.02 66.25 3kit s SER 75 CO 0.00 -1.85 0.20 0.00 0.98 0.00 0.00 173.24 172.56 3kit s ALA 76 N -3.10 -0.37 -0.01 5.32 0.00 -1.26 -0.43 121.76 121.91 3kit s ALA 76 Ca 0.66 -0.25 0.05 0.00 0.00 0.00 0.00 51.96 52.43 3kit s ALA 76 Cb -0.05 0.26 -0.01 0.00 0.00 0.00 0.00 23.12 23.32 3kit s ALA 76 CO 0.44 -0.35 -0.16 -1.50 0.00 0.00 0.00 175.76 174.19 3kit s ILE 77 N -2.45 1.29 -0.09 0.00 1.10 -0.70 -4.95 121.20 115.41 3kit s ILE 77 Ca -0.06 -0.73 -0.04 0.00 -0.51 0.00 0.00 60.65 59.31 3kit s ILE 77 Cb -0.02 -1.08 0.04 0.00 0.15 0.00 0.00 42.46 41.55 3kit s ILE 77 CO -0.03 0.34 0.19 -0.60 -2.11 0.00 0.00 174.94 172.73 3kit s ARG 78 N -0.45 0.13 0.24 3.50 3.52 -1.26 -1.13 118.95 123.50 3kit s ARG 78 Ca 0.06 0.48 0.08 0.00 -0.13 0.00 0.00 55.73 56.22 3kit s ARG 78 Cb -0.06 -0.16 -0.04 0.00 -1.56 0.00 0.00 34.95 33.13 3kit s ARG 78 CO -0.00 -0.19 0.07 -0.06 -0.81 0.00 0.00 175.30 174.30 3kit s PHE 79 N 1.44 2.87 0.33 5.12 0.40 -1.09 -5.04 117.98 122.02 3kit s PHE 79 Ca -0.07 -0.16 0.20 0.00 -0.60 0.00 0.00 56.93 56.29 3kit s PHE 79 Cb -0.11 -1.30 0.97 0.00 0.51 0.00 0.00 43.02 43.09 3kit s PHE 79 CO -0.07 0.57 1.89 -0.44 0.70 0.00 0.00 175.22 177.87 3kit h ASP 80 N 1.88 0.00 -2.73 1.36 3.32 -1.92 -3.36 116.42 114.98 3kit h ASP 80 Ca -0.46 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.52 3kit h ASP 80 Cb 1.24 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.77 3kit h ASP 80 CO 0.60 0.27 -0.06 -0.90 -1.72 0.00 0.00 179.24 177.44 3kit n ASP 81 N -3.79 0.89 -3.96 6.45 5.68 -1.26 -4.89 116.55 115.67 3kit n ASP 81 Ca -0.01 -1.26 -0.30 0.00 -0.50 0.00 0.00 54.79 52.71 3kit n ASP 81 Cb 0.37 0.13 -0.14 0.00 -1.14 0.00 0.00 41.12 40.33 3kit n ASP 81 CO 0.00 0.00 0.00 0.20 -1.33 0.00 0.00 177.20 176.07 3kit s ASN 82 N -1.30 4.46 0.30 -1.12 -0.87 -1.24 -3.03 114.94 112.14 3kit s ASN 82 Ca 0.03 -2.63 -0.04 0.00 -1.57 0.00 0.00 52.86 48.65 3kit s ASN 82 Cb 0.00 -1.59 -0.05 0.00 -0.02 0.00 0.00 41.25 39.59 3kit s ASN 82 CO 0.02 -0.30 0.56 0.00 -2.57 0.00 0.00 177.10 174.81 3kit s ALA 83 N 0.25 3.63 0.09 0.60 0.00 0.11 -0.01 121.76 126.43 3kit s ALA 83 Ca 0.14 -0.61 -0.09 0.00 0.00 0.00 0.00 51.96 51.41 3kit s ALA 83 Cb -0.23 -2.28 0.00 0.00 0.00 0.00 0.00 23.12 20.61 3kit s ALA 83 CO -0.04 0.20 0.20 0.00 0.00 0.00 0.00 175.76 176.12 3kit s ALA 84 N -2.13 -0.26 -0.06 0.00 0.00 -0.30 -1.33 121.76 117.68 3kit s ALA 84 Ca 0.43 -0.57 0.04 0.00 0.00 0.00 0.00 51.96 51.86 3kit s ALA 84 Cb -0.11 0.48 -0.00 0.00 0.00 0.00 0.00 23.12 23.49 3kit s ALA 84 CO 0.31 -0.51 -0.20 0.08 0.00 0.00 0.00 175.76 175.45 3kit s VAL 85 N -3.78 1.66 0.34 0.00 1.01 -0.07 -1.24 120.40 118.32 3kit s VAL 85 Ca 0.04 -0.82 -0.27 0.00 0.00 0.00 0.00 61.98 60.93 3kit s VAL 85 Cb 0.04 -1.44 -0.09 0.00 0.00 0.00 0.00 36.38 34.89 3kit s VAL 85 CO -0.11 0.47 1.14 -0.63 0.00 0.00 0.00 175.10 175.97 3kit s ILE 86 N 0.19 3.34 0.22 2.22 1.01 -1.26 -0.58 121.20 126.33 3kit s ILE 86 Ca -0.10 1.23 0.09 0.00 0.00 0.00 0.00 60.65 61.87 3kit s ILE 86 Cb -0.14 -3.74 -0.05 0.00 0.01 0.00 0.00 42.46 38.54 3kit s ILE 86 CO 0.05 0.21 -0.17 -0.63 0.00 0.00 0.00 174.94 174.39 3kit s ILE 87 N -1.31 1.97 0.50 2.92 -1.09 0.79 -2.73 121.20 122.25 3kit s ILE 87 Ca 0.51 -2.22 0.04 0.00 -2.23 0.00 0.00 60.65 56.75 3kit s ILE 87 Cb -0.31 -2.09 0.03 0.00 -1.58 0.00 0.00 42.46 38.51 3kit s ILE 87 CO 0.40 -0.49 0.69 0.54 -1.23 0.00 0.00 174.94 174.84 3kit s ASN 88 N -3.26 5.43 0.56 3.58 4.22 0.26 -4.17 114.94 121.55 3kit s ASN 88 Ca 0.23 -0.22 0.24 0.00 -2.14 0.00 0.00 52.86 50.97 3kit s ASN 88 Cb -0.03 -0.73 1.57 0.00 1.28 0.00 0.00 41.25 43.34 3kit s ASN 88 CO 0.09 -0.99 2.19 0.78 -2.04 0.00 0.00 177.10 177.13 3kit h ASN 89 N 0.32 0.00 0.39 3.54 4.21 -1.96 0.41 115.58 122.49 3kit h ASN 89 Ca -0.41 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.10 3kit h ASN 89 Cb 1.29 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.49 3kit h ASN 89 CO 0.48 0.00 0.00 0.00 -1.29 0.00 0.00 177.43 176.62 3kit n GLN 90 N -4.14 0.45 -0.85 0.81 6.02 -1.26 -4.90 117.38 113.51 3kit n GLN 90 Ca -0.02 0.04 0.00 0.00 -0.01 0.00 0.00 57.00 57.01 3kit n GLN 90 Cb 0.14 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.90 3kit n GLN 90 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3kit n LEU 91 N -1.23 -0.06 -4.73 1.08 7.99 0.14 -5.09 117.00 115.10 3kit n LEU 91 Ca 0.14 0.00 -0.29 0.00 -0.01 0.00 0.00 56.01 55.84 3kit n LEU 91 Cb 0.18 -0.40 -0.07 0.00 -0.11 0.00 0.00 43.42 43.03 3kit n LEU 91 CO 0.19 0.00 -0.29 -1.61 -1.51 0.00 0.00 177.39 174.17 3kit s GLU 92 N -1.72 2.70 0.40 3.23 2.02 -1.25 -4.76 118.70 119.32 3kit s GLU 92 Ca 0.00 -0.82 -0.27 0.00 0.02 0.00 0.00 54.97 53.89 3kit s GLU 92 Cb 0.00 -2.60 -0.10 0.00 0.10 0.00 0.00 34.13 31.53 3kit s GLU 92 CO 0.00 0.53 1.46 -0.35 0.02 0.00 0.00 175.26 176.91 3kit n PRO 93 N 0.29 2.51 0.14 0.39 -0.04 -1.26 -0.58 135.00 136.46 3kit n PRO 93 Ca -0.09 0.88 0.09 0.00 -0.04 0.00 0.00 63.50 64.34 3kit n PRO 93 Cb 0.53 -2.63 0.06 0.00 -0.04 0.00 0.00 33.50 31.41 3kit n PRO 93 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kit h ARG 94 N 2.72 0.00 -7.09 0.54 2.47 -1.82 -3.45 114.38 107.76 3kit h ARG 94 Ca -0.50 0.00 -0.46 0.00 -1.26 0.00 0.00 59.98 57.76 3kit h ARG 94 Cb 1.25 0.00 0.08 0.00 -1.65 0.00 0.00 29.97 29.65 3kit h ARG 94 CO 0.63 0.10 0.09 0.20 0.56 0.00 0.00 179.97 181.55 3kit s GLY 95 N -4.37 1.77 -0.01 0.04 0.00 -1.26 -4.86 107.32 98.63 3kit s GLY 95 Ca 0.03 -1.52 0.13 0.00 0.00 0.00 0.00 44.72 43.36 3kit s GLY 95 CO 0.74 -1.03 0.39 -1.30 0.00 0.00 0.00 173.10 171.90 3kit n THR 96 N -2.75 0.00 -4.00 0.90 -2.24 -1.26 -4.98 114.28 99.95 3kit n THR 96 Ca 0.12 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 3kit n THR 96 Cb 0.60 0.50 0.00 0.00 -2.10 0.00 0.00 70.33 69.34 3kit n THR 96 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3kit n ARG 97 N -1.71 1.78 -3.17 -0.78 5.12 -1.26 -5.05 116.66 111.59 3kit n ARG 97 Ca -0.01 0.00 0.05 0.00 -1.93 0.00 0.00 57.85 55.96 3kit n ARG 97 Cb 0.29 0.00 -0.02 0.00 -1.16 0.00 0.00 32.46 31.57 3kit n ARG 97 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3kit s VAL 98 N -1.11 -0.34 0.49 1.55 0.11 -1.26 -4.28 120.40 115.55 3kit s VAL 98 Ca 0.00 0.00 -0.07 0.00 -2.93 0.00 0.00 61.98 58.98 3kit s VAL 98 Cb 0.00 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.81 3kit s VAL 98 CO 0.00 0.00 0.83 -0.36 -3.33 0.00 0.00 175.10 172.24 3kit s PHE 99 N 2.88 3.56 0.35 1.54 0.08 -1.09 -4.34 117.98 120.97 3kit s PHE 99 Ca -0.01 0.95 0.00 0.00 0.12 0.00 0.00 56.93 57.99 3kit s PHE 99 Cb -0.10 -2.41 0.00 0.00 -0.57 0.00 0.00 43.02 39.94 3kit s PHE 99 CO -0.12 -0.32 0.00 0.41 -0.10 0.00 0.00 175.22 175.09 3kit n GLY 100 N -2.17 -2.85 3.81 4.36 0.00 -1.26 -4.79 105.19 102.28 3kit n GLY 100 Ca 0.02 -1.22 -0.31 0.00 0.00 0.00 0.00 46.02 44.51 3kit n GLY 100 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3kit s PRO 101 N -3.44 2.68 0.05 1.61 0.04 -1.26 -4.35 135.00 130.33 3kit s PRO 101 Ca 0.00 0.96 0.03 0.00 0.04 0.00 0.00 61.00 62.03 3kit s PRO 101 Cb 0.00 -1.96 -0.03 0.00 0.04 0.00 0.00 34.50 32.55 3kit s PRO 101 CO 0.00 -1.28 -0.09 0.14 0.04 0.00 0.00 177.00 175.80 3kit s VAL 102 N -3.03 0.70 0.20 -0.36 -7.23 -0.87 -4.87 120.40 104.93 3kit s VAL 102 Ca 0.59 -1.17 -0.30 0.00 -1.81 0.00 0.00 61.98 59.29 3kit s VAL 102 Cb -0.15 -0.77 -0.08 0.00 0.56 0.00 0.00 36.38 35.94 3kit s VAL 102 CO 0.55 -0.36 1.06 0.00 -0.31 0.00 0.00 175.10 176.04 3kit s ALA 103 N -1.45 3.36 -0.35 1.32 0.00 -1.23 -1.56 121.76 121.85 3kit s ALA 103 Ca -0.07 0.78 0.16 0.00 0.00 0.00 0.00 51.96 52.83 3kit s ALA 103 Cb -0.09 -3.32 0.88 0.00 0.00 0.00 0.00 23.12 20.59 3kit s ALA 103 CO 0.01 -0.12 1.49 2.89 0.00 0.00 0.00 175.76 180.02 3kit n ARG 104 N 2.08 0.10 -0.23 0.00 1.85 0.16 -1.06 116.66 119.57 3kit n ARG 104 Ca 0.01 0.60 0.30 0.00 -1.00 0.00 0.00 57.85 57.76 3kit n ARG 104 Cb 0.46 -1.87 0.71 0.00 -1.05 0.00 0.00 32.46 30.71 3kit n ARG 104 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 3kit h GLU 105 N 0.00 0.04 -0.79 2.89 3.07 -1.90 0.74 114.58 118.62 3kit h GLU 105 Ca 0.00 -0.00 0.09 0.00 -0.50 0.00 0.00 59.36 58.95 3kit h GLU 105 Cb 0.05 -0.01 -0.05 0.00 -0.84 0.00 0.00 28.75 27.90 3kit h GLU 105 CO 0.00 0.03 0.52 -0.07 -1.40 0.00 0.00 179.01 178.08 3kit h LEU 106 N 0.04 0.66 0.00 1.33 3.38 -1.41 -2.88 115.31 116.44 3kit h LEU 106 Ca 0.47 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.46 3kit h LEU 106 Cb 1.82 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 42.44 3kit h LEU 106 CO -0.03 0.40 0.00 -1.14 0.09 0.00 0.00 178.44 177.76 3kit n ARG 107 N -4.50 0.00 0.19 1.13 0.63 0.26 -2.25 116.66 112.11 3kit n ARG 107 Ca 0.13 0.50 0.15 0.00 -0.92 0.00 0.00 57.85 57.72 3kit n ARG 107 Cb 0.31 -1.49 0.57 0.00 0.45 0.00 0.00 32.46 32.31 3kit n ARG 107 CO 0.00 0.00 0.00 1.05 -2.51 0.00 0.00 177.63 176.17 3kit h GLU 108 N 0.00 0.00 -0.00 -0.14 4.11 -1.64 1.81 114.58 118.72 3kit h GLU 108 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3kit h GLU 108 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3kit h GLU 108 CO 0.00 0.00 -0.09 1.63 0.07 0.00 0.00 179.01 180.62 3kit n LYS 109 N -3.08 0.71 -2.14 1.06 4.76 -1.06 -4.95 118.16 113.46 3kit n LYS 109 Ca 0.05 -0.22 -0.00 0.00 -2.87 0.00 0.00 58.31 55.26 3kit n LYS 109 Cb 0.74 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.44 3kit n LYS 109 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3kit n GLY 110 N 1.26 0.58 2.52 0.72 0.00 0.62 -5.02 105.19 105.87 3kit n GLY 110 Ca 0.15 -0.53 -0.25 0.00 0.00 0.00 0.00 46.02 45.39 3kit n GLY 110 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3kit n PHE 111 N -1.42 3.20 -0.17 1.61 3.72 -0.95 -4.94 117.46 118.50 3kit n PHE 111 Ca -0.00 -3.14 -0.13 0.00 -0.05 0.00 0.00 57.45 54.12 3kit n PHE 111 Cb 0.50 -0.14 -0.10 0.00 -0.94 0.00 0.00 39.48 38.80 3kit n PHE 111 CO 0.00 0.00 0.00 0.52 -0.05 0.00 0.00 176.76 177.23 3kit h MET 112 N 2.65 -0.33 -0.78 -1.08 2.86 -1.86 -0.45 114.93 115.95 3kit h MET 112 Ca 0.25 0.02 0.18 0.00 -2.06 0.00 0.00 59.70 58.09 3kit h MET 112 Cb 0.92 0.08 -0.12 0.00 0.06 0.00 0.00 31.60 32.54 3kit h MET 112 CO 0.81 -0.22 0.17 -0.22 1.06 0.00 0.00 176.91 178.51 3kit h LYS 113 N -0.34 0.23 -0.58 1.72 1.63 -2.00 0.29 116.57 117.51 3kit h LYS 113 Ca 0.08 -0.01 -0.05 0.00 -0.85 0.00 0.00 60.65 59.82 3kit h LYS 113 Cb 0.56 -0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 32.12 3kit h LYS 113 CO -0.63 0.15 0.19 0.82 -3.45 0.00 0.00 179.45 176.52 3kit h ILE 114 N 0.23 1.24 0.57 2.00 5.03 -1.74 -1.99 117.51 122.86 3kit h ILE 114 Ca 0.45 -0.81 -0.03 0.00 -0.12 0.00 0.00 64.86 64.35 3kit h ILE 114 Cb 0.81 0.66 0.01 0.00 -3.03 0.00 0.00 36.82 35.27 3kit h ILE 114 CO -0.57 0.31 -0.28 0.58 -0.68 0.00 0.00 178.15 177.51 3kit h VAL 115 N 0.82 0.34 -0.66 1.67 2.07 0.11 -2.35 116.25 118.26 3kit h VAL 115 Ca 0.19 -0.28 0.06 0.00 0.82 0.00 0.00 66.70 67.49 3kit h VAL 115 Cb 0.28 0.44 -0.04 0.00 -1.52 0.00 0.00 31.29 30.45 3kit h VAL 115 CO -0.01 0.04 0.43 0.77 0.02 0.00 0.00 177.57 178.82 3kit h SER 116 N -0.97 0.59 0.67 0.57 4.64 -1.03 -2.42 113.55 115.60 3kit h SER 116 Ca -0.08 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.18 3kit h SER 116 Cb 0.65 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.61 3kit h SER 116 CO 0.13 0.39 -0.31 -0.07 -0.87 0.00 0.00 176.83 176.10 3kit h LEU 117 N 0.67 0.00 -9.98 5.97 3.38 -1.28 -3.45 115.31 110.63 3kit h LEU 117 Ca 0.28 0.00 -0.48 0.00 0.09 0.00 0.00 57.88 57.77 3kit h LEU 117 Cb 0.24 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.01 3kit h LEU 117 CO -0.09 0.31 0.41 0.00 0.09 0.00 0.00 178.44 179.16 3kit s ALA 118 N -3.83 3.05 0.12 1.53 0.00 -0.89 -4.51 121.76 117.23 3kit s ALA 118 Ca -0.01 0.69 -0.16 0.00 0.00 0.00 0.00 51.96 52.48 3kit s ALA 118 Cb 0.12 -3.27 -0.02 0.00 0.00 0.00 0.00 23.12 19.95 3kit s ALA 118 CO 0.67 -0.23 1.62 -1.00 0.00 0.00 0.00 175.76 176.82 3kit h PRO 119 N 2.35 0.60 -5.28 0.00 0.13 -1.76 -3.45 132.00 124.60 3kit h PRO 119 Ca -0.48 -0.14 -0.38 0.00 -0.87 0.00 0.00 66.00 64.12 3kit h PRO 119 Cb 1.22 -0.08 -0.18 0.00 0.13 0.00 0.00 31.00 32.09 3kit h PRO 119 CO 0.62 0.63 -0.75 -2.00 -0.23 0.00 0.00 178.00 176.27 3kit s GLU 120 N -5.31 1.00 -0.16 0.86 2.12 -1.26 -5.07 118.70 110.87 3kit s GLU 120 Ca -0.13 -1.26 -0.05 0.00 0.36 0.00 0.00 54.97 53.89 3kit s GLU 120 Cb 0.10 -0.80 0.06 0.00 0.26 0.00 0.00 34.13 33.75 3kit s GLU 120 CO 0.76 0.14 0.10 0.08 -0.54 0.00 0.00 175.26 175.81 3kit s VAL 121 N -2.37 -0.12 -1.27 3.70 1.01 -1.26 -2.06 120.40 118.03 3kit s VAL 121 Ca 0.09 -0.11 0.10 0.00 0.00 0.00 0.00 61.98 62.07 3kit s VAL 121 Cb -0.03 -0.55 0.08 0.00 0.00 0.00 0.00 36.38 35.88 3kit s VAL 121 CO 0.02 -0.23 0.82 0.18 0.00 0.00 0.00 175.10 175.89