#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cck s VAL 5 N 0.00 4.12 -0.31 4.08 1.01 -1.26 -4.79 120.40 123.25 1cck s VAL 5 Ca 0.00 -0.89 -0.02 0.00 0.00 0.00 0.00 61.98 61.07 1cck s VAL 5 Cb 0.00 -2.95 0.10 0.00 0.00 0.00 0.00 36.38 33.54 1cck s VAL 5 CO 0.00 0.16 0.12 -1.00 0.00 0.00 0.00 175.10 174.39 1cck s HIS 6 N -1.29 1.17 -0.12 5.22 3.76 -1.26 -5.06 115.29 117.72 1cck s HIS 6 Ca 0.25 -1.45 -0.19 0.00 -0.15 0.00 0.00 55.06 53.52 1cck s HIS 6 Cb -0.12 -1.39 -0.04 0.00 1.11 0.00 0.00 32.58 32.14 1cck s HIS 6 CO 0.18 -0.85 0.52 0.08 -0.85 0.00 0.00 174.74 173.81 1cck s VAL 7 N 1.71 5.16 0.14 -0.90 1.01 -1.26 -0.18 120.40 126.07 1cck s VAL 7 Ca 0.10 1.05 -0.31 0.00 0.00 0.00 0.00 61.98 62.81 1cck s VAL 7 Cb -0.17 -3.86 -0.10 0.00 0.00 0.00 0.00 36.38 32.25 1cck s VAL 7 CO -0.27 0.30 1.60 0.00 0.00 0.00 0.00 175.10 176.73 1cck s ALA 8 N 0.75 3.76 -0.31 5.51 0.00 -0.26 -4.86 121.76 126.35 1cck s ALA 8 Ca 0.28 1.33 0.03 0.00 0.00 0.00 0.00 51.96 53.60 1cck s ALA 8 Cb -0.16 -3.65 0.09 0.00 0.00 0.00 0.00 23.12 19.41 1cck s ALA 8 CO 0.12 -0.88 0.02 0.45 0.00 0.00 0.00 175.76 175.46 1cck s SER 9 N 1.53 4.50 0.12 0.00 0.15 0.12 -4.76 113.70 115.36 1cck s SER 9 Ca 0.71 -1.84 -0.35 0.00 0.70 0.00 0.00 55.95 55.18 1cck s SER 9 Cb -0.43 -1.45 -0.16 0.00 -1.71 0.00 0.00 66.02 62.27 1cck s SER 9 CO 0.32 -0.33 1.38 0.52 1.20 0.00 0.00 173.24 176.32 1cck n VAL 10 N 4.42 0.16 -1.66 4.45 0.31 -1.26 -4.32 118.33 120.44 1cck n VAL 10 Ca -0.02 -0.04 -0.48 0.00 -0.01 0.00 0.00 64.34 63.79 1cck n VAL 10 Cb 0.42 -1.02 -0.05 0.00 -0.91 0.00 0.00 33.84 32.29 1cck n VAL 10 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1cck n GLU 11 N 2.60 1.93 -1.65 5.55 4.71 -1.26 -4.73 120.64 127.80 1cck n GLU 11 Ca 0.17 0.70 -0.46 0.00 -0.01 0.00 0.00 57.16 57.56 1cck n GLU 11 Cb 0.23 -2.45 -0.04 0.00 -1.01 0.00 0.00 31.44 28.17 1cck n GLU 11 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 1cck n LYS 12 N 3.53 2.30 -0.59 3.49 4.81 -1.26 -1.83 118.16 128.62 1cck n LYS 12 Ca 0.18 0.81 0.00 0.00 -0.87 0.00 0.00 58.31 58.42 1cck n LYS 12 Cb 0.27 -2.85 0.00 0.00 0.02 0.00 0.00 35.03 32.47 1cck n LYS 12 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1cck n GLY 13 N 4.83 0.79 3.84 3.14 0.00 -1.26 -5.03 105.19 111.50 1cck n GLY 13 Ca 0.24 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.90 1cck n GLY 13 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1cck s ARG 14 N -0.41 4.00 0.32 1.61 1.81 -0.76 -5.09 118.95 120.42 1cck s ARG 14 Ca 0.00 0.50 0.02 0.00 -1.72 0.00 0.00 55.73 54.53 1cck s ARG 14 Cb 0.00 -3.02 -0.01 0.00 -0.45 0.00 0.00 34.95 31.47 1cck s ARG 14 CO 0.00 0.53 0.06 -1.13 -0.68 0.00 0.00 175.30 174.08 1cck n SER 15 N 1.07 1.97 -0.24 0.23 3.41 -1.26 -4.92 113.62 113.88 1cck n SER 15 Ca -0.07 -2.53 -0.00 0.00 -0.26 0.00 0.00 58.87 56.00 1cck n SER 15 Cb 0.52 0.51 0.06 0.00 -0.26 0.00 0.00 64.21 65.04 1cck n SER 15 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 1cck h TYR 16 N 1.34 -0.51 -0.63 7.33 3.20 -2.00 -0.59 116.97 125.10 1cck h TYR 16 Ca -0.25 0.07 0.12 0.00 3.14 0.00 0.00 58.73 61.80 1cck h TYR 16 Cb 0.87 0.33 -0.04 0.00 1.54 0.00 0.00 36.73 39.43 1cck h TYR 16 CO 0.00 -0.33 0.43 0.93 -1.64 0.00 0.00 178.16 177.55 1cck h GLU 17 N -0.04 0.34 -0.10 1.82 3.07 -1.99 -0.50 114.58 117.19 1cck h GLU 17 Ca 0.32 -0.02 -0.03 0.00 -0.50 0.00 0.00 59.36 59.13 1cck h GLU 17 Cb 0.53 -0.08 -0.00 0.00 -0.84 0.00 0.00 28.75 28.37 1cck h GLU 17 CO -0.73 0.22 -0.04 -0.44 -1.40 0.00 0.00 179.01 176.62 1cck h ASP 18 N 0.35 0.21 -0.16 1.42 3.32 -1.50 -2.82 116.42 117.24 1cck h ASP 18 Ca 0.30 -0.41 -0.12 0.00 0.02 0.00 0.00 57.03 56.82 1cck h ASP 18 Cb 0.70 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.18 1cck h ASP 18 CO -0.08 0.57 -0.31 -0.26 -1.72 0.00 0.00 179.24 177.44 1cck h PHE 19 N -0.16 0.76 -0.37 4.55 0.04 -1.03 -2.14 116.94 118.59 1cck h PHE 19 Ca 0.02 -0.19 0.07 0.00 2.80 0.00 0.00 57.97 60.67 1cck h PHE 19 Cb 0.49 -0.17 -0.02 0.00 2.20 0.00 0.00 35.95 38.45 1cck h PHE 19 CO 0.07 0.89 0.25 0.37 -0.60 0.00 0.00 178.31 179.29 1cck h GLN 20 N 0.56 0.20 -0.27 1.51 5.75 -1.18 -0.14 115.11 121.54 1cck h GLN 20 Ca 0.06 -0.01 -0.15 0.00 -0.15 0.00 0.00 58.65 58.40 1cck h GLN 20 Cb 0.81 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 29.31 1cck h GLN 20 CO 0.07 0.13 -0.46 0.87 -2.65 0.00 0.00 178.83 176.79 1cck h LYS 21 N 0.20 0.70 -0.54 1.69 1.57 -1.12 -0.32 116.57 118.75 1cck h LYS 21 Ca 0.17 -0.39 -0.12 0.00 -1.87 0.00 0.00 60.65 58.44 1cck h LYS 21 Cb 0.40 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.72 1cck h LYS 21 CO -0.03 1.01 -0.11 0.28 -0.57 0.00 0.00 179.45 180.03 1cck h VAL 22 N 0.56 1.27 0.52 0.50 2.07 -0.90 -1.59 116.25 118.69 1cck h VAL 22 Ca 0.03 -1.27 -0.02 0.00 0.82 0.00 0.00 66.70 66.27 1cck h VAL 22 Cb 1.01 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 31.72 1cck h VAL 22 CO 0.10 0.45 -0.42 0.22 0.02 0.00 0.00 177.57 177.94 1cck h TYR 23 N 0.91 -1.13 -0.86 1.57 5.03 -0.95 -1.78 116.97 119.76 1cck h TYR 23 Ca 0.14 0.00 0.21 0.00 2.58 0.00 0.00 58.73 61.66 1cck h TYR 23 Cb 0.68 0.43 -0.12 0.00 1.55 0.00 0.00 36.73 39.26 1cck h TYR 23 CO 0.05 -0.60 0.33 -0.91 -1.32 0.00 0.00 178.16 175.70 1cck h ASN 24 N -0.93 0.21 -0.39 -2.11 -0.26 -1.05 0.12 115.58 111.18 1cck h ASN 24 Ca -0.06 0.16 -0.01 0.00 -0.56 0.00 0.00 56.30 55.83 1cck h ASN 24 Cb 0.79 0.17 -0.02 0.00 -1.06 0.00 0.00 38.32 38.20 1cck h ASN 24 CO -0.00 -0.03 0.20 0.00 -1.06 0.00 0.00 177.43 176.53 1cck h ALA 25 N 1.70 0.50 -0.25 -0.83 0.00 -0.92 -0.54 119.26 118.92 1cck h ALA 25 Ca 0.53 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.33 1cck h ALA 25 Cb 1.00 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1cck h ALA 25 CO -0.55 0.05 0.09 0.82 0.00 0.00 0.00 179.25 179.66 1cck h ILE 26 N 0.49 1.18 -0.65 0.00 2.04 -0.71 -1.67 117.51 118.18 1cck h ILE 26 Ca 0.13 -0.55 -0.02 0.00 1.00 0.00 0.00 64.86 65.43 1cck h ILE 26 Cb 0.10 1.08 -0.03 0.00 -0.74 0.00 0.00 36.82 37.23 1cck h ILE 26 CO -0.02 0.18 0.34 0.00 0.00 0.00 0.00 178.15 178.65 1cck h ALA 27 N 0.93 0.83 -0.45 1.87 0.00 -0.57 -0.75 119.26 121.12 1cck h ALA 27 Ca 0.08 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1cck h ALA 27 Cb 0.20 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1cck h ALA 27 CO -0.01 0.36 0.09 -0.07 0.00 0.00 0.00 179.25 179.63 1cck h LEU 28 N 0.89 0.69 -1.40 0.00 4.07 -1.12 -1.40 115.31 117.04 1cck h LEU 28 Ca 0.23 -0.24 -0.04 0.00 0.08 0.00 0.00 57.88 57.90 1cck h LEU 28 Cb 0.06 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 41.61 1cck h LEU 28 CO -0.03 0.76 -0.19 0.50 -1.08 0.00 0.00 178.44 178.40 1cck h LYS 29 N 0.60 0.00 -0.33 1.13 3.64 -0.92 -1.12 116.57 119.56 1cck h LYS 29 Ca 0.14 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.48 1cck h LYS 29 Cb 0.35 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 1cck h LYS 29 CO 0.00 0.19 0.04 -0.07 -2.27 0.00 0.00 179.45 177.34 1cck h LEU 30 N 0.00 0.53 -0.21 5.20 3.38 -0.62 -0.80 115.31 122.79 1cck h LEU 30 Ca -0.00 -0.27 0.04 0.00 0.09 0.00 0.00 57.88 57.74 1cck h LEU 30 Cb 0.60 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.17 1cck h LEU 30 CO 0.02 0.67 -0.06 -0.09 0.09 0.00 0.00 178.44 179.08 1cck h ARG 31 N 0.38 -0.00 -0.07 1.13 2.43 -1.00 -3.28 114.38 113.96 1cck h ARG 31 Ca 0.10 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.26 1cck h ARG 31 Cb 0.38 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.92 1cck h ARG 31 CO 0.01 -0.00 0.00 1.49 -1.51 0.00 0.00 179.97 179.96 1cck h GLU 32 N -0.00 0.13 -1.78 0.20 4.81 -1.12 -3.30 114.58 113.51 1cck h GLU 32 Ca 0.10 -0.04 -0.47 0.00 -0.13 0.00 0.00 59.36 58.82 1cck h GLU 32 Cb 0.16 -0.01 -0.18 0.00 0.63 0.00 0.00 28.75 29.35 1cck h GLU 32 CO -0.22 0.40 0.48 -0.25 -0.73 0.00 0.00 179.01 178.68 1cck n ASP 33 N -4.85 6.63 0.18 1.04 8.00 -0.31 -4.66 116.55 122.57 1cck n ASP 33 Ca -0.07 -3.24 0.12 0.00 0.71 0.00 0.00 54.79 52.31 1cck n ASP 33 Cb 0.19 -1.15 0.64 0.00 -0.02 0.00 0.00 41.12 40.78 1cck n ASP 33 CO 0.00 0.00 0.00 -2.24 -0.39 0.00 0.00 177.20 174.57 1cck h ASP 34 N 2.45 0.00 1.65 -2.24 2.03 -1.66 -3.12 116.42 115.54 1cck h ASP 34 Ca 0.39 0.00 -0.04 0.00 -0.73 0.00 0.00 57.03 56.65 1cck h ASP 34 Cb 0.74 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.24 1cck h ASP 34 CO 0.93 0.00 -0.20 1.05 -1.03 0.00 0.00 179.24 179.99 1cck h GLU 35 N 0.00 0.00 -6.51 4.15 9.09 -1.91 -3.31 114.58 116.10 1cck h GLU 35 Ca 0.00 0.00 -0.60 0.00 0.05 0.00 0.00 59.36 58.81 1cck h GLU 35 Cb 0.04 0.00 0.11 0.00 -1.65 0.00 0.00 28.75 27.25 1cck h GLU 35 CO 0.00 0.20 0.23 0.98 0.05 0.00 0.00 179.01 180.47 1cck n TYR 36 N -3.17 1.48 -3.48 2.06 9.36 -1.18 -1.22 117.16 121.00 1cck n TYR 36 Ca 0.03 0.66 -0.23 0.00 3.32 0.00 0.00 57.90 61.68 1cck n TYR 36 Cb 0.58 -2.29 0.05 0.00 -0.63 0.00 0.00 39.34 37.05 1cck n TYR 36 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 1cck n ASP 37 N 1.29 -6.00 -4.03 2.98 2.03 -1.26 -1.25 116.55 110.31 1cck n ASP 37 Ca 0.09 -0.83 -0.28 0.00 0.52 0.00 0.00 54.79 54.29 1cck n ASP 37 Cb 0.32 -4.13 -0.02 0.00 -0.72 0.00 0.00 41.12 36.56 1cck n ASP 37 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1cck n ASN 38 N -2.80 -1.04 -0.69 1.67 4.13 -1.22 -2.38 115.26 112.93 1cck n ASN 38 Ca -0.08 -1.01 -0.09 0.00 1.68 0.00 0.00 54.58 55.07 1cck n ASN 38 Cb 0.60 -2.95 -0.04 0.00 -1.54 0.00 0.00 39.78 35.85 1cck n ASN 38 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 1cck n TYR 39 N -4.42 0.00 0.02 3.10 4.02 -0.36 -4.87 117.16 114.66 1cck n TYR 39 Ca -0.22 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.52 1cck n TYR 39 Cb 0.64 -1.97 -0.05 0.00 -0.02 0.00 0.00 39.34 37.95 1cck n TYR 39 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 176.86 176.67 1cck h ILE 40 N 0.00 1.33 0.00 -0.72 2.04 -1.15 -3.47 117.51 115.54 1cck h ILE 40 Ca -0.18 -2.15 0.00 0.00 1.00 0.00 0.00 64.86 63.53 1cck h ILE 40 Cb 0.74 2.16 0.00 0.00 -0.74 0.00 0.00 36.82 38.99 1cck h ILE 40 CO 0.27 0.66 0.00 0.61 0.00 0.00 0.00 178.15 179.69 1cck n GLY 41 N 0.77 -0.33 0.00 5.37 0.00 -0.38 -4.75 105.19 105.87 1cck n GLY 41 Ca -0.07 -1.77 0.14 0.00 0.00 0.00 0.00 46.02 44.32 1cck n GLY 41 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1cck n TYR 42 N -0.31 0.00 -0.05 1.61 4.02 -1.26 -4.36 117.16 116.81 1cck n TYR 42 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.80 1cck n TYR 42 Cb 0.00 -0.42 -0.03 0.00 -0.02 0.00 0.00 39.34 38.88 1cck n TYR 42 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 1cck h GLY 43 N 4.90 -0.32 0.52 2.72 0.00 -1.94 -2.30 103.07 106.64 1cck h GLY 43 Ca 0.00 0.38 0.05 0.00 0.00 0.00 0.00 47.33 47.76 1cck h GLY 43 CO 0.00 -0.21 -0.01 -2.55 0.00 0.00 0.00 176.54 173.77 1cck h PRO 44 N -0.32 0.07 -0.08 4.80 0.11 -1.89 -2.24 132.00 132.44 1cck h PRO 44 Ca 0.13 -0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.18 1cck h PRO 44 Cb 0.53 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.61 1cck h PRO 44 CO -0.42 0.05 -0.17 -0.24 -0.21 0.00 0.00 178.00 177.01 1cck h VAL 45 N 0.08 1.17 -0.35 3.15 3.04 -1.78 -1.52 116.25 120.04 1cck h VAL 45 Ca 0.14 -0.77 -0.07 0.00 -1.01 0.00 0.00 66.70 64.99 1cck h VAL 45 Cb 0.19 1.30 -0.01 0.00 -2.01 0.00 0.00 31.29 30.76 1cck h VAL 45 CO -0.25 0.23 -0.04 -0.07 -1.01 0.00 0.00 177.57 176.43 1cck h LEU 46 N 0.13 0.65 -0.88 3.16 3.38 -1.11 0.11 115.31 120.74 1cck h LEU 46 Ca 0.02 -0.34 -0.12 0.00 0.09 0.00 0.00 57.88 57.54 1cck h LEU 46 Cb 0.38 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1cck h LEU 46 CO 0.03 0.83 -0.48 -0.37 0.09 0.00 0.00 178.44 178.53 1cck h VAL 47 N 0.45 1.34 -0.81 1.22 -1.51 -0.93 -1.97 116.25 114.04 1cck h VAL 47 Ca 0.09 -1.69 0.01 0.00 -1.23 0.00 0.00 66.70 63.89 1cck h VAL 47 Cb 0.52 1.83 -0.04 0.00 -2.13 0.00 0.00 31.29 31.47 1cck h VAL 47 CO 0.03 0.50 0.53 -0.09 -1.23 0.00 0.00 177.57 177.31 1cck h ARG 48 N 0.15 1.05 -0.17 5.19 2.43 -0.94 -1.88 114.38 120.19 1cck h ARG 48 Ca 0.01 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1cck h ARG 48 Cb 0.91 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 30.22 1cck h ARG 48 CO 0.07 0.69 0.09 1.25 -1.51 0.00 0.00 179.97 180.57 1cck h LEU 49 N 1.08 0.22 -1.27 3.80 5.85 -0.54 0.31 115.31 124.76 1cck h LEU 49 Ca 0.30 -0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.91 1cck h LEU 49 Cb -0.09 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 40.86 1cck h LEU 49 CO -0.08 0.25 0.22 0.00 -0.34 0.00 0.00 178.44 178.49 1cck h ALA 50 N 0.98 1.43 -0.19 1.25 0.00 -1.08 -1.45 119.26 120.21 1cck h ALA 50 Ca 0.06 -0.12 -0.18 0.00 0.00 0.00 0.00 54.91 54.67 1cck h ALA 50 Cb 0.08 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 17.66 1cck h ALA 50 CO -0.01 0.44 -0.59 2.35 0.00 0.00 0.00 179.25 181.44 1cck h TRP 51 N 0.72 0.96 -0.01 0.00 2.91 -1.22 -2.94 115.95 116.37 1cck h TRP 51 Ca 0.18 -0.39 -0.10 0.00 1.13 0.00 0.00 58.89 59.71 1cck h TRP 51 Cb 0.12 -0.16 -0.01 0.00 -0.51 0.00 0.00 29.16 28.59 1cck h TRP 51 CO 0.01 1.20 -0.48 0.45 -1.03 0.00 0.00 178.44 178.58 1cck h HIS 52 N 0.45 0.02 -0.07 2.65 3.86 -0.43 0.63 115.15 122.25 1cck h HIS 52 Ca -0.02 -0.01 -0.14 0.00 -1.16 0.00 0.00 60.37 59.04 1cck h HIS 52 Cb 1.22 -0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.67 1cck h HIS 52 CO 0.09 0.49 -0.58 -0.84 0.86 0.00 0.00 177.93 177.95 1cck h ILE 53 N 0.01 1.38 0.00 2.45 3.07 -1.35 -3.29 117.51 119.78 1cck h ILE 53 Ca -0.00 -1.94 -0.19 0.00 1.55 0.00 0.00 64.86 64.28 1cck h ILE 53 Cb 0.85 1.97 -0.03 0.00 -0.27 0.00 0.00 36.82 39.35 1cck h ILE 53 CO 0.06 0.57 -0.89 0.28 -1.05 0.00 0.00 178.15 177.12 1cck h SER 54 N 0.17 0.00 0.20 2.16 0.02 -1.33 -3.23 113.55 111.54 1cck h SER 54 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1cck h SER 54 Cb 1.07 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.61 1cck h SER 54 CO 0.09 0.89 0.00 0.61 -1.14 0.00 0.00 176.83 177.28 1cck n GLY 55 N 1.12 -1.10 0.07 -3.77 0.00 0.20 -2.88 105.19 98.83 1cck n GLY 55 Ca -0.00 -0.18 0.15 0.00 0.00 0.00 0.00 46.02 45.99 1cck n GLY 55 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1cck n THR 56 N -1.10 0.00 -2.17 2.61 -2.24 -1.26 -4.63 114.28 105.49 1cck n THR 56 Ca 0.20 -0.04 -0.38 0.00 -2.27 0.00 0.00 64.05 61.56 1cck n THR 56 Cb 0.16 -0.26 -0.01 0.00 -2.10 0.00 0.00 70.33 68.12 1cck n THR 56 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1cck s TRP 57 N -2.47 2.89 -0.24 4.78 -0.00 -1.14 -4.08 118.94 118.68 1cck s TRP 57 Ca 0.30 1.49 0.01 0.00 -0.00 0.00 0.00 56.10 57.90 1cck s TRP 57 Cb 0.20 -3.51 0.06 0.00 -0.00 0.00 0.00 33.47 30.22 1cck s TRP 57 CO 0.46 -1.73 -0.06 0.34 -0.00 0.00 0.00 176.95 175.96 1cck s ASP 58 N -1.04 3.92 0.41 5.86 -1.08 -0.36 -4.52 116.67 119.87 1cck s ASP 58 Ca 0.60 -1.20 0.27 0.00 -0.52 0.00 0.00 52.55 51.70 1cck s ASP 58 Cb -0.33 -1.24 1.47 0.00 -1.46 0.00 0.00 42.92 41.36 1cck s ASP 58 CO 0.42 -0.22 1.82 0.07 0.52 0.00 0.00 175.17 177.77 1cck h LYS 59 N 7.93 0.00 -0.08 4.34 2.10 -1.60 -1.75 116.57 127.51 1cck h LYS 59 Ca -0.18 0.00 -0.22 0.00 -2.00 0.00 0.00 60.65 58.25 1cck h LYS 59 Cb 1.07 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.40 1cck h LYS 59 CO 0.42 0.00 -0.83 0.45 -2.00 0.00 0.00 179.45 177.49 1cck h HIS 60 N 0.00 0.83 0.00 0.07 3.86 -1.95 -3.37 115.15 114.60 1cck h HIS 60 Ca 0.00 -0.40 0.00 0.00 -1.16 0.00 0.00 60.37 58.81 1cck h HIS 60 Cb 0.05 -0.12 0.00 0.00 1.06 0.00 0.00 27.41 28.40 1cck h HIS 60 CO 0.00 1.20 0.00 -0.40 0.86 0.00 0.00 177.93 179.59 1cck n ASP 61 N -3.86 1.29 -1.70 2.45 5.68 -1.14 -5.02 116.55 114.26 1cck n ASP 61 Ca -0.07 -1.59 -0.18 0.00 -0.50 0.00 0.00 54.79 52.45 1cck n ASP 61 Cb 0.77 0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 40.69 1cck n ASP 61 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1cck n ASN 62 N -0.30 -4.84 -4.89 -1.12 5.15 -0.67 -3.77 115.26 104.83 1cck n ASN 62 Ca 0.00 0.37 -0.29 0.00 -0.60 0.00 0.00 54.58 54.06 1cck n ASN 62 Cb 0.28 -4.28 0.00 0.00 -0.53 0.00 0.00 39.78 35.26 1cck n ASN 62 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1cck s THR 63 N -2.60 4.80 0.00 -0.44 -4.23 -1.24 -4.83 115.64 107.09 1cck s THR 63 Ca 0.00 0.54 0.00 0.00 -1.18 0.00 0.00 61.69 61.05 1cck s THR 63 Cb 0.00 -3.86 0.00 0.00 1.34 0.00 0.00 72.50 69.98 1cck s THR 63 CO 0.00 -1.00 0.00 0.61 -0.54 0.00 0.00 174.62 173.69 1cck n GLY 64 N -2.51 -0.52 0.00 3.99 0.00 -1.26 -1.22 105.19 103.66 1cck n GLY 64 Ca 0.03 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.97 1cck n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cck n GLY 65 N 0.00 -0.51 0.20 -0.02 0.00 -1.25 -4.62 105.19 98.99 1cck n GLY 65 Ca 0.00 -1.79 0.14 0.00 0.00 0.00 0.00 46.02 44.37 1cck n GLY 65 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1cck h SER 66 N 0.00 0.00 -0.19 1.61 4.64 -1.78 -3.39 113.55 114.44 1cck h SER 66 Ca 0.00 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.37 1cck h SER 66 Cb 0.00 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.03 1cck h SER 66 CO 0.00 0.00 -0.24 0.22 -0.87 0.00 0.00 176.83 175.94 1cck h TYR 67 N 0.00 -0.64 -0.07 4.77 3.20 -1.87 -3.05 116.97 119.31 1cck h TYR 67 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 1cck h TYR 67 Cb 0.70 0.31 0.00 0.00 1.54 0.00 0.00 36.73 39.28 1cck h TYR 67 CO 0.00 -0.32 0.00 0.41 -1.64 0.00 0.00 178.16 176.61 1cck n GLY 68 N -1.37 -0.38 2.15 1.82 0.00 -1.25 -3.05 105.19 103.11 1cck n GLY 68 Ca -0.02 -0.28 -0.09 0.00 0.00 0.00 0.00 46.02 45.64 1cck n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cck n GLY 69 N 0.98 0.01 0.00 -0.02 0.00 -1.15 -2.47 105.19 102.54 1cck n GLY 69 Ca 0.16 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.21 1cck n GLY 69 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1cck n THR 70 N -2.53 1.40 0.16 2.61 -2.24 -1.26 -2.89 114.28 109.52 1cck n THR 70 Ca -0.10 0.35 0.17 0.00 -2.27 0.00 0.00 64.05 62.20 1cck n THR 70 Cb 0.47 -1.25 0.77 0.00 -2.10 0.00 0.00 70.33 68.22 1cck n THR 70 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 1cck h TYR 71 N 0.00 0.00 -0.06 4.78 3.20 -1.93 -1.32 116.97 121.64 1cck h TYR 71 Ca 0.00 0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.89 1cck h TYR 71 Cb 0.09 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.36 1cck h TYR 71 CO 0.00 0.00 0.07 0.07 -1.64 0.00 0.00 178.16 176.66 1cck h ARG 72 N 0.00 0.00 -6.47 1.82 0.11 -1.93 -3.19 114.38 104.72 1cck h ARG 72 Ca 0.12 0.00 -0.53 0.00 0.10 0.00 0.00 59.98 59.67 1cck h ARG 72 Cb 0.61 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.66 1cck h ARG 72 CO -0.00 0.00 0.06 -0.06 0.10 0.00 0.00 179.97 180.07 1cck s PHE 73 N -4.57 3.69 0.21 4.08 0.08 -0.50 -4.92 117.98 116.05 1cck s PHE 73 Ca -0.05 1.34 -0.19 0.00 0.12 0.00 0.00 56.93 58.15 1cck s PHE 73 Cb 0.15 -2.57 0.17 0.00 -0.57 0.00 0.00 43.02 40.20 1cck s PHE 73 CO 0.52 0.41 1.49 1.63 -0.10 0.00 0.00 175.22 179.17 1cck n LYS 74 N 0.98 -0.27 -0.10 0.44 4.01 -1.26 -1.13 118.16 120.82 1cck n LYS 74 Ca -0.04 1.47 -0.06 0.00 -0.51 0.00 0.00 58.31 59.17 1cck n LYS 74 Cb 0.51 -2.18 -0.00 0.00 -0.51 0.00 0.00 35.03 32.85 1cck n LYS 74 CO 0.00 0.00 0.00 -0.22 -1.11 0.00 0.00 177.40 176.07 1cck h LYS 75 N 0.00 -0.17 -0.21 1.97 3.64 -1.93 0.16 116.57 120.03 1cck h LYS 75 Ca 0.30 0.01 -0.20 0.00 -1.27 0.00 0.00 60.65 59.49 1cck h LYS 75 Cb 0.54 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.40 1cck h LYS 75 CO -0.94 -0.12 -0.65 1.49 -2.27 0.00 0.00 179.45 176.96 1cck h GLU 76 N -0.18 0.76 -0.88 1.90 4.81 -1.67 -3.00 114.58 116.33 1cck h GLU 76 Ca 0.18 -0.55 -0.00 0.00 -0.13 0.00 0.00 59.36 58.86 1cck h GLU 76 Cb 0.47 0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.89 1cck h GLU 76 CO -0.48 1.17 0.53 0.35 -0.73 0.00 0.00 179.01 179.85 1cck h PHE 77 N 0.56 1.15 -0.47 0.92 3.57 -0.59 -2.82 116.94 119.25 1cck h PHE 77 Ca -0.02 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.48 1cck h PHE 77 Cb 1.26 -0.38 0.00 0.00 2.79 0.00 0.00 35.95 39.62 1cck h PHE 77 CO 0.07 0.76 0.00 0.09 -2.23 0.00 0.00 178.31 177.00 1cck n ASN 78 N -4.42 3.17 -4.68 0.41 5.03 0.50 -4.85 115.26 110.44 1cck n ASN 78 Ca 0.09 -2.19 -0.47 0.00 0.87 0.00 0.00 54.58 52.88 1cck n ASN 78 Cb 0.05 -0.43 -0.04 0.00 -1.02 0.00 0.00 39.78 38.34 1cck n ASN 78 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 1cck n ASP 79 N 0.82 3.51 -0.33 6.41 -0.08 -1.07 -4.92 116.55 120.89 1cck n ASP 79 Ca 0.18 0.98 0.15 0.00 -1.51 0.00 0.00 54.79 54.59 1cck n ASP 79 Cb 0.57 -1.41 0.31 0.00 2.34 0.00 0.00 41.12 42.93 1cck n ASP 79 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1cck h PRO 80 N 8.82 0.03 0.00 -0.67 0.11 -1.92 0.11 132.00 138.49 1cck h PRO 80 Ca -0.48 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1cck h PRO 80 Cb 1.26 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1cck h PRO 80 CO 0.94 0.02 0.03 0.43 -0.21 0.00 0.00 178.00 179.20 1cck n SER 81 N -5.45 0.55 -1.01 -2.05 7.64 -1.26 -1.66 113.62 110.38 1cck n SER 81 Ca 0.24 0.75 0.11 0.00 1.01 0.00 0.00 58.87 60.98 1cck n SER 81 Cb 0.78 -0.81 0.16 0.00 -1.01 0.00 0.00 64.21 63.33 1cck n SER 81 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1cck n ASN 82 N -2.26 3.17 -4.66 6.43 3.02 0.40 -5.01 115.26 116.35 1cck n ASN 82 Ca -0.01 -1.94 -0.54 0.00 -0.03 0.00 0.00 54.58 52.05 1cck n ASN 82 Cb 0.06 -0.16 -0.06 0.00 -0.61 0.00 0.00 39.78 39.01 1cck n ASN 82 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1cck n ALA 83 N 1.32 -0.37 0.00 5.41 0.00 -0.66 -1.57 120.51 124.65 1cck n ALA 83 Ca 0.16 0.43 0.00 0.00 0.00 0.00 0.00 53.44 54.03 1cck n ALA 83 Cb 0.56 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.82 1cck n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cck n GLY 84 N 3.54 3.20 0.22 0.00 0.00 -1.26 -4.82 105.19 106.07 1cck n GLY 84 Ca 0.23 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.40 1cck n GLY 84 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1cck h LEU 85 N 0.00 0.00 -2.07 0.99 3.38 -1.69 -3.15 115.31 112.78 1cck h LEU 85 Ca 0.00 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.07 1cck h LEU 85 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1cck h LEU 85 CO 0.00 0.00 0.28 1.56 0.09 0.00 0.00 178.44 180.37 1cck h GLN 86 N 0.00 0.00 -0.40 1.13 7.50 -1.91 0.35 115.11 121.79 1cck h GLN 86 Ca 0.00 0.00 -0.06 0.00 0.50 0.00 0.00 58.65 59.09 1cck h GLN 86 Cb 0.53 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.04 1cck h GLN 86 CO 0.00 0.00 0.00 -0.91 -1.50 0.00 0.00 178.83 176.42 1cck h ASN 87 N 0.00 0.68 0.28 1.46 2.35 -1.96 -0.90 115.58 117.50 1cck h ASN 87 Ca 0.16 -0.30 -0.14 0.00 -0.55 0.00 0.00 56.30 55.47 1cck h ASN 87 Cb 0.73 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.91 1cck h ASN 87 CO -0.00 0.82 -0.54 1.23 -1.65 0.00 0.00 177.43 177.29 1cck h GLY 88 N 0.52 0.31 0.88 2.83 0.00 -0.53 -2.59 103.07 104.49 1cck h GLY 88 Ca 0.11 -0.35 -0.02 0.00 0.00 0.00 0.00 47.33 47.08 1cck h GLY 88 CO 0.02 0.31 -0.16 -2.75 0.00 0.00 0.00 176.54 173.96 1cck h PHE 89 N 0.22 -0.41 -0.64 5.60 3.57 -1.26 -2.66 116.94 121.35 1cck h PHE 89 Ca 0.00 -0.01 0.13 0.00 3.53 0.00 0.00 57.97 61.62 1cck h PHE 89 Cb 1.02 0.14 -0.04 0.00 2.79 0.00 0.00 35.95 39.86 1cck h PHE 89 CO 0.02 -0.18 0.44 0.87 -2.23 0.00 0.00 178.31 177.23 1cck h LYS 90 N -0.57 0.32 -0.27 1.11 1.57 -1.14 -1.37 116.57 116.21 1cck h LYS 90 Ca -0.05 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.67 1cck h LYS 90 Cb 0.42 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 1cck h LYS 90 CO 0.07 0.21 0.00 0.35 -0.57 0.00 0.00 179.45 179.52 1cck h PHE 91 N 0.33 0.52 0.00 -1.35 3.04 -1.34 -3.28 116.94 114.86 1cck h PHE 91 Ca 0.31 -0.09 -0.08 0.00 3.98 0.00 0.00 57.97 62.09 1cck h PHE 91 Cb 0.75 -0.14 -0.01 0.00 2.56 0.00 0.00 35.95 39.12 1cck h PHE 91 CO -0.00 0.63 -0.37 -0.07 -2.02 0.00 0.00 178.31 176.48 1cck h LEU 92 N 0.26 0.00 -0.51 0.59 3.38 -1.01 -3.39 115.31 114.64 1cck h LEU 92 Ca 0.08 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.15 1cck h LEU 92 Cb 0.42 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.08 1cck h LEU 92 CO 0.01 0.37 -0.03 -0.08 0.09 0.00 0.00 178.44 178.81 1cck h GLU 93 N 0.00 0.09 -0.45 1.13 4.81 -1.34 -0.30 114.58 118.52 1cck h GLU 93 Ca -0.00 -0.01 0.11 0.00 -0.13 0.00 0.00 59.36 59.33 1cck h GLU 93 Cb 1.11 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.45 1cck h GLU 93 CO 0.05 0.06 0.32 -1.00 -0.73 0.00 0.00 179.01 177.70 1cck h PRO 94 N 0.09 0.09 -0.11 0.92 0.13 -1.77 -1.87 132.00 129.48 1cck h PRO 94 Ca 0.26 -0.01 -0.21 0.00 -0.87 0.00 0.00 66.00 65.17 1cck h PRO 94 Cb 0.39 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.50 1cck h PRO 94 CO -0.45 0.06 -0.76 0.82 -0.23 0.00 0.00 178.00 177.44 1cck h ILE 95 N 0.10 1.33 -0.51 -3.56 2.04 -1.33 -2.13 117.51 113.44 1cck h ILE 95 Ca 0.21 -2.06 -0.07 0.00 1.00 0.00 0.00 64.86 63.94 1cck h ILE 95 Cb 0.72 2.05 -0.02 0.00 -0.74 0.00 0.00 36.82 38.83 1cck h ILE 95 CO -0.02 0.64 0.03 -0.74 0.00 0.00 0.00 178.15 178.06 1cck h HIS 96 N 0.41 0.94 -0.69 1.37 2.76 -0.72 -1.67 115.15 117.56 1cck h HIS 96 Ca -0.04 -0.15 0.08 0.00 -2.20 0.00 0.00 60.37 58.05 1cck h HIS 96 Cb 1.37 -0.25 -0.04 0.00 1.55 0.00 0.00 27.41 30.03 1cck h HIS 96 CO 0.07 0.87 0.45 0.87 -1.30 0.00 0.00 177.93 178.89 1cck h LYS 97 N 0.74 0.62 -0.03 5.26 1.79 -1.28 -2.45 116.57 121.23 1cck h LYS 97 Ca 0.15 -0.04 -0.14 0.00 -2.18 0.00 0.00 60.65 58.44 1cck h LYS 97 Cb 0.47 -0.14 -0.02 0.00 -1.58 0.00 0.00 32.23 30.97 1cck h LYS 97 CO 0.02 0.41 -0.62 1.49 -1.08 0.00 0.00 179.45 179.67 1cck h GLU 98 N 0.64 0.11 -2.21 3.15 4.81 -1.07 -3.37 114.58 116.64 1cck h GLU 98 Ca 0.31 -0.08 -0.59 0.00 -0.13 0.00 0.00 59.36 58.87 1cck h GLU 98 Cb 0.36 0.01 -0.41 0.00 0.63 0.00 0.00 28.75 29.35 1cck h GLU 98 CO -0.10 0.69 -0.79 1.19 -0.73 0.00 0.00 179.01 179.28 1cck n PHE 99 N -3.83 2.02 0.27 0.92 3.01 -0.65 -4.97 117.46 114.22 1cck n PHE 99 Ca -0.02 -3.92 0.13 0.00 1.01 0.00 0.00 57.45 54.65 1cck n PHE 99 Cb 0.62 -0.45 0.62 0.00 -0.01 0.00 0.00 39.48 40.26 1cck n PHE 99 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1cck h PRO 100 N 4.29 0.00 0.00 -1.08 0.11 -1.62 -2.78 132.00 130.92 1cck h PRO 100 Ca 0.16 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.24 1cck h PRO 100 Cb 0.76 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.86 1cck h PRO 100 CO 0.68 0.00 -0.10 0.11 -0.21 0.00 0.00 178.00 178.48 1cck h TRP 101 N 0.00 0.00 -3.52 0.65 5.08 -1.93 -3.46 115.95 112.76 1cck h TRP 101 Ca 0.00 0.00 -0.52 0.00 1.08 0.00 0.00 58.89 59.45 1cck h TRP 101 Cb 0.17 0.00 0.01 0.00 -3.00 0.00 0.00 29.16 26.34 1cck h TRP 101 CO 0.00 0.10 0.52 -1.50 -1.28 0.00 0.00 178.44 176.28 1cck s ILE 102 N -3.30 3.69 0.67 0.12 2.07 -1.05 -4.92 121.20 118.48 1cck s ILE 102 Ca 0.05 1.44 -0.15 0.00 -1.41 0.00 0.00 60.65 60.58 1cck s ILE 102 Cb 0.07 -3.92 0.00 0.00 0.13 0.00 0.00 42.46 38.74 1cck s ILE 102 CO 0.65 0.24 1.11 -0.94 -1.91 0.00 0.00 174.94 174.09 1cck s SER 103 N 0.02 5.05 0.15 4.50 1.04 -1.26 -4.90 113.70 118.30 1cck s SER 103 Ca 0.51 2.00 -0.20 0.00 0.48 0.00 0.00 55.95 58.74 1cck s SER 103 Cb -0.31 -2.55 0.03 0.00 0.10 0.00 0.00 66.02 63.28 1cck s SER 103 CO 0.36 -1.67 1.66 0.28 0.98 0.00 0.00 173.24 174.86 1cck h SER 104 N -0.04 -0.47 -0.86 7.02 0.02 -1.91 -1.62 113.55 115.69 1cck h SER 104 Ca -0.47 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.60 1cck h SER 104 Cb 1.25 0.25 -0.04 0.00 0.14 0.00 0.00 62.40 63.99 1cck h SER 104 CO 0.54 -0.18 0.56 1.23 -1.14 0.00 0.00 176.83 177.84 1cck h GLY 105 N -0.12 1.22 1.42 -3.77 0.00 -1.79 0.27 103.07 100.29 1cck h GLY 105 Ca 0.14 -0.47 -0.06 0.00 0.00 0.00 0.00 47.33 46.94 1cck h GLY 105 CO -0.32 0.46 0.02 -0.55 0.00 0.00 0.00 176.54 176.15 1cck h ASP 106 N 1.17 0.68 -0.08 0.19 5.19 -1.80 -1.87 116.42 119.91 1cck h ASP 106 Ca 0.31 -0.15 -0.09 0.00 -0.62 0.00 0.00 57.03 56.49 1cck h ASP 106 Cb -0.11 -0.18 0.00 0.00 0.18 0.00 0.00 39.33 39.22 1cck h ASP 106 CO -0.07 0.74 -0.29 0.25 -3.12 0.00 0.00 179.24 176.75 1cck h LEU 107 N 0.68 0.39 -0.43 1.55 5.85 -0.07 -0.73 115.31 122.55 1cck h LEU 107 Ca 0.14 -0.62 0.02 0.00 0.84 0.00 0.00 57.88 58.26 1cck h LEU 107 Cb 0.39 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 1cck h LEU 107 CO 0.01 0.95 0.25 -0.26 -0.34 0.00 0.00 178.44 179.05 1cck h PHE 108 N -0.14 0.46 -0.17 1.25 0.04 -1.10 0.50 116.94 117.78 1cck h PHE 108 Ca -0.01 0.02 -0.20 0.00 2.80 0.00 0.00 57.97 60.57 1cck h PHE 108 Cb 0.93 -0.14 0.00 0.00 2.20 0.00 0.00 35.95 38.93 1cck h PHE 108 CO 0.12 0.26 -0.69 0.66 -0.60 0.00 0.00 178.31 178.06 1cck h SER 109 N 0.50 0.82 0.05 2.17 4.64 -1.38 -2.95 113.55 117.39 1cck h SER 109 Ca 0.18 -0.50 -0.07 0.00 -0.47 0.00 0.00 61.79 60.92 1cck h SER 109 Cb 0.03 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 61.87 1cck h SER 109 CO -0.09 1.28 -0.22 0.25 -0.87 0.00 0.00 176.83 177.18 1cck h LEU 110 N 0.50 0.29 -0.99 5.97 5.85 -0.92 -2.71 115.31 123.32 1cck h LEU 110 Ca -0.03 -0.08 0.13 0.00 0.84 0.00 0.00 57.88 58.74 1cck h LEU 110 Cb 1.29 -0.08 -0.09 0.00 0.37 0.00 0.00 40.66 42.16 1cck h LEU 110 CO 0.14 0.53 0.61 1.23 -0.34 0.00 0.00 178.44 180.61 1cck h GLY 111 N 0.94 1.63 0.85 3.75 0.00 -0.72 -0.77 103.07 108.74 1cck h GLY 111 Ca 0.05 -0.40 -0.01 0.00 0.00 0.00 0.00 47.33 46.96 1cck h GLY 111 CO 0.04 0.13 0.05 -1.33 0.00 0.00 0.00 176.54 175.42 1cck h GLY 112 N 0.94 0.24 1.00 4.60 0.00 -1.46 -0.78 103.07 107.61 1cck h GLY 112 Ca 0.50 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.69 1cck h GLY 112 CO -0.28 0.13 0.14 -2.08 0.00 0.00 0.00 176.54 174.45 1cck h VAL 113 N 0.05 1.06 -0.25 4.60 2.07 -1.16 -2.21 116.25 120.41 1cck h VAL 113 Ca 0.05 -0.12 0.02 0.00 0.82 0.00 0.00 66.70 67.47 1cck h VAL 113 Cb 0.22 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 1cck h VAL 113 CO -0.00 0.06 0.11 0.74 0.02 0.00 0.00 177.57 178.50 1cck h THR 114 N 0.28 0.98 -0.34 2.57 2.02 -1.15 -2.15 112.91 115.13 1cck h THR 114 Ca 0.08 -0.08 0.06 0.00 0.77 0.00 0.00 66.41 67.23 1cck h THR 114 Cb -0.02 0.71 -0.05 0.00 -1.74 0.00 0.00 68.15 67.04 1cck h THR 114 CO -0.02 0.05 -0.00 0.00 0.37 0.00 0.00 175.52 175.91 1cck h ALA 115 N 1.13 0.30 -0.47 6.16 0.00 -1.02 -0.58 119.26 124.78 1cck h ALA 115 Ca 0.10 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 1cck h ALA 115 Cb 0.04 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1cck h ALA 115 CO -0.08 -0.40 0.13 0.28 0.00 0.00 0.00 179.25 179.18 1cck h VAL 116 N 0.09 1.23 -0.06 0.00 2.07 -1.33 -0.39 116.25 117.86 1cck h VAL 116 Ca 0.16 -0.79 -0.17 0.00 0.82 0.00 0.00 66.70 66.73 1cck h VAL 116 Cb 0.23 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 1cck h VAL 116 CO -0.28 0.28 -0.69 1.56 0.02 0.00 0.00 177.57 178.47 1cck h GLN 117 N 0.62 0.28 0.00 1.57 4.20 -1.15 0.13 115.11 120.76 1cck h GLN 117 Ca 0.15 -0.22 -0.13 0.00 0.06 0.00 0.00 58.65 58.51 1cck h GLN 117 Cb 0.30 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.10 1cck h GLN 117 CO -0.00 0.86 -0.60 0.93 -0.67 0.00 0.00 178.83 179.34 1cck h GLU 118 N 0.20 0.00 -1.06 1.46 4.39 -0.99 -3.07 114.58 115.51 1cck h GLU 118 Ca -0.02 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.60 1cck h GLU 118 Cb 1.23 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.84 1cck h GLU 118 CO 0.11 0.60 0.10 -1.33 -1.16 0.00 0.00 179.01 177.33 1cck n MET 119 N -3.65 1.19 -1.77 2.33 2.81 -0.17 -4.85 117.12 113.01 1cck n MET 119 Ca -0.01 -0.44 -0.18 0.00 -1.81 0.00 0.00 57.70 55.26 1cck n MET 119 Cb 0.64 -1.17 -0.06 0.00 -0.71 0.00 0.00 33.22 31.92 1cck n MET 119 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 1cck n GLN 120 N 0.33 -1.30 -0.07 0.03 1.13 -1.16 -0.45 117.38 115.89 1cck n GLN 120 Ca 0.09 1.05 -0.00 0.00 -1.94 0.00 0.00 57.00 56.19 1cck n GLN 120 Cb 0.66 -5.38 0.00 0.00 0.11 0.00 0.00 30.24 25.63 1cck n GLN 120 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1cck n GLY 121 N -0.85 -0.96 3.79 1.08 0.00 0.44 -4.71 105.19 103.98 1cck n GLY 121 Ca -0.19 -1.70 -0.32 0.00 0.00 0.00 0.00 46.02 43.81 1cck n GLY 121 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1cck s PRO 122 N -2.96 3.06 -0.04 1.61 0.04 -1.26 -4.76 135.00 130.67 1cck s PRO 122 Ca 0.01 1.22 -0.30 0.00 0.04 0.00 0.00 61.00 61.97 1cck s PRO 122 Cb -0.00 -2.00 -0.06 0.00 0.04 0.00 0.00 34.50 32.48 1cck s PRO 122 CO 0.00 -1.02 1.71 0.15 0.04 0.00 0.00 177.00 177.88 1cck s LYS 123 N -4.27 4.15 -0.49 4.56 -0.14 -1.26 -4.41 119.74 117.89 1cck s LYS 123 Ca 0.64 2.25 -0.19 0.00 -1.36 0.00 0.00 55.97 57.30 1cck s LYS 123 Cb -0.17 -4.02 0.05 0.00 -1.68 0.00 0.00 37.83 32.01 1cck s LYS 123 CO 0.42 -0.89 0.61 0.42 -0.76 0.00 0.00 175.35 175.14 1cck s ILE 124 N 4.19 4.89 0.12 2.17 -1.09 -1.26 -4.90 121.20 125.32 1cck s ILE 124 Ca 0.76 -0.38 -0.35 0.00 -2.23 0.00 0.00 60.65 58.45 1cck s ILE 124 Cb -0.35 -4.26 -0.16 0.00 -1.58 0.00 0.00 42.46 36.12 1cck s ILE 124 CO 0.32 -0.73 1.36 -2.65 -1.23 0.00 0.00 174.94 172.00 1cck n PRO 125 N 6.12 1.36 -4.74 2.79 -0.02 -1.26 -4.78 135.00 134.48 1cck n PRO 125 Ca -0.06 0.49 -0.27 0.00 -2.02 0.00 0.00 63.50 61.65 1cck n PRO 125 Cb 0.46 -2.13 -0.14 0.00 -0.02 0.00 0.00 33.50 31.66 1cck n PRO 125 CO 0.00 0.00 0.00 -0.46 1.98 0.00 0.00 175.50 177.02 1cck s TRP 126 N 0.43 1.93 -0.01 6.00 -0.00 -0.51 -4.80 118.94 121.97 1cck s TRP 126 Ca 0.81 -0.38 0.06 0.00 -0.00 0.00 0.00 56.10 56.59 1cck s TRP 126 Cb -0.88 -1.16 -0.03 0.00 -0.00 0.00 0.00 33.47 31.41 1cck s TRP 126 CO 0.46 0.09 -0.19 1.03 -0.00 0.00 0.00 176.95 178.34 1cck s ARG 127 N -1.12 2.25 0.57 5.86 0.52 -1.26 -0.22 118.95 125.55 1cck s ARG 127 Ca 0.08 -0.85 0.04 0.00 -0.52 0.00 0.00 55.73 54.48 1cck s ARG 127 Cb -0.09 -2.22 0.06 0.00 0.52 0.00 0.00 34.95 33.22 1cck s ARG 127 CO 0.02 0.58 0.79 0.00 0.02 0.00 0.00 175.30 176.70 1cck n GLY 129 N -2.33 1.12 3.76 0.00 0.00 -1.26 -4.70 105.19 101.78 1cck n GLY 129 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 1cck n GLY 129 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1cck s ARG 130 N 0.00 3.69 -0.06 1.61 0.52 -1.26 -0.70 118.95 122.75 1cck s ARG 130 Ca 0.00 2.13 0.06 0.00 -0.52 0.00 0.00 55.73 57.40 1cck s ARG 130 Cb 0.00 -2.56 -0.01 0.00 0.52 0.00 0.00 34.95 32.91 1cck s ARG 130 CO 0.00 -0.71 -0.24 0.08 0.02 0.00 0.00 175.30 174.45 1cck s VAL 131 N -1.32 1.98 0.25 3.52 1.01 -1.17 -4.68 120.40 119.98 1cck s VAL 131 Ca 0.62 -1.02 -0.30 0.00 0.00 0.00 0.00 61.98 61.28 1cck s VAL 131 Cb -0.37 -1.68 -0.11 0.00 0.00 0.00 0.00 36.38 34.22 1cck s VAL 131 CO 0.47 0.55 1.54 -1.81 0.00 0.00 0.00 175.10 175.84 1cck s ASP 132 N -0.10 6.53 0.28 3.32 1.11 -1.26 -3.94 116.67 122.61 1cck s ASP 132 Ca -0.05 2.77 0.10 0.00 0.18 0.00 0.00 52.55 55.55 1cck s ASP 132 Cb -0.14 -2.62 -0.05 0.00 1.07 0.00 0.00 42.92 41.19 1cck s ASP 132 CO 0.04 -0.82 -0.04 0.42 1.18 0.00 0.00 175.17 175.95 1cck s THR 133 N 0.28 3.09 0.87 -1.27 -4.23 -1.03 -5.01 115.64 108.34 1cck s THR 133 Ca 0.64 -2.03 -0.11 0.00 -1.18 0.00 0.00 61.69 59.01 1cck s THR 133 Cb -0.45 -2.72 0.12 0.00 1.34 0.00 0.00 72.50 70.80 1cck s THR 133 CO 0.42 -0.35 1.15 -2.84 -0.54 0.00 0.00 174.62 172.46 1cck s PRO 134 N -3.65 1.32 0.62 3.99 0.02 -1.26 -4.86 135.00 131.17 1cck s PRO 134 Ca 0.32 1.54 0.30 0.00 0.02 0.00 0.00 61.00 63.19 1cck s PRO 134 Cb -0.05 -1.76 1.67 0.00 0.02 0.00 0.00 34.50 34.38 1cck s PRO 134 CO 0.19 -2.41 2.02 1.49 -0.33 0.00 0.00 177.00 177.96 1cck h GLU 135 N -1.56 0.00 0.00 5.54 4.81 -1.98 -0.72 114.58 120.67 1cck h GLU 135 Ca -0.44 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 1cck h GLU 135 Cb 1.27 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.65 1cck h GLU 135 CO 0.44 0.00 0.00 -0.40 -0.73 0.00 0.00 179.01 178.32 1cck n ASP 136 N -3.47 0.00 -1.18 1.04 5.75 -1.26 -2.89 116.55 114.55 1cck n ASP 136 Ca 0.02 -0.74 0.12 0.00 -0.01 0.00 0.00 54.79 54.18 1cck n ASP 136 Cb 0.40 -0.08 0.22 0.00 -1.03 0.00 0.00 41.12 40.64 1cck n ASP 136 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1cck n THR 137 N -1.08 0.52 -1.96 2.12 -2.24 -0.28 -4.96 114.28 106.42 1cck n THR 137 Ca 0.21 -0.76 -0.42 0.00 -2.27 0.00 0.00 64.05 60.80 1cck n THR 137 Cb 0.14 0.98 -0.03 0.00 -2.10 0.00 0.00 70.33 69.32 1cck n THR 137 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1cck s THR 138 N -1.47 3.50 0.50 4.28 2.01 -1.14 -4.71 115.64 118.60 1cck s THR 138 Ca 0.39 0.60 -0.23 0.00 0.31 0.00 0.00 61.69 62.76 1cck s THR 138 Cb 0.23 -3.39 -0.06 0.00 0.01 0.00 0.00 72.50 69.29 1cck s THR 138 CO 0.32 -0.06 1.37 -2.16 -0.69 0.00 0.00 174.62 173.40 1cck s PRO 139 N 4.13 3.42 0.57 4.92 0.04 -1.26 -4.98 135.00 141.85 1cck s PRO 139 Ca 0.76 2.28 -0.19 0.00 0.04 0.00 0.00 61.00 63.88 1cck s PRO 139 Cb -0.34 -2.44 -0.05 0.00 0.04 0.00 0.00 34.50 31.71 1cck s PRO 139 CO 0.31 -0.98 1.17 -0.51 0.04 0.00 0.00 177.00 177.03 1cck s ASP 140 N -0.80 5.41 0.80 6.66 1.01 -1.26 -4.65 116.67 123.84 1cck s ASP 140 Ca 0.66 2.30 -0.14 0.00 0.71 0.00 0.00 52.55 56.08 1cck s ASP 140 Cb -0.41 -2.59 0.03 0.00 1.01 0.00 0.00 42.92 40.96 1cck s ASP 140 CO 0.50 -1.44 0.85 0.59 0.21 0.00 0.00 175.17 175.89 1cck n ASN 141 N -1.48 -0.18 0.00 0.27 3.02 -1.26 -4.21 115.26 111.42 1cck n ASN 141 Ca 0.13 0.55 0.00 0.00 -0.03 0.00 0.00 54.58 55.23 1cck n ASN 141 Cb 0.50 -1.37 0.00 0.00 -0.61 0.00 0.00 39.78 38.31 1cck n ASN 141 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1cck n GLY 142 N 1.07 0.73 0.22 7.41 0.00 -1.26 -4.97 105.19 108.40 1cck n GLY 142 Ca 0.11 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.26 1cck n GLY 142 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cck n ARG 143 N -1.50 0.72 -3.80 1.61 1.74 -1.26 -4.93 116.66 109.25 1cck n ARG 143 Ca 0.00 -0.45 -0.31 0.00 -0.77 0.00 0.00 57.85 56.32 1cck n ARG 143 Cb 0.00 -1.49 -0.04 0.00 -1.02 0.00 0.00 32.46 29.91 1cck n ARG 143 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1cck s LEU 144 N -2.59 4.31 0.39 0.55 1.43 -1.26 -4.73 118.68 116.78 1cck s LEU 144 Ca 0.21 0.42 -0.24 0.00 -1.03 0.00 0.00 54.13 53.50 1cck s LEU 144 Cb 0.19 -3.13 -0.10 0.00 0.03 0.00 0.00 46.19 43.18 1cck s LEU 144 CO 0.56 0.10 0.99 -2.16 0.23 0.00 0.00 176.35 176.07 1cck s PRO 145 N -2.64 4.30 0.45 1.29 0.04 -1.26 -5.05 135.00 132.13 1cck s PRO 145 Ca 0.38 1.35 -0.21 0.00 0.04 0.00 0.00 61.00 62.55 1cck s PRO 145 Cb -0.12 -2.51 -0.10 0.00 0.04 0.00 0.00 34.50 31.81 1cck s PRO 145 CO 0.27 0.01 1.00 -0.51 0.04 0.00 0.00 177.00 177.80 1cck s ASP 146 N -1.76 6.65 0.16 6.66 1.01 -1.26 -5.00 116.67 123.12 1cck s ASP 146 Ca 0.57 1.84 0.18 0.00 0.71 0.00 0.00 52.55 55.85 1cck s ASP 146 Cb -0.17 -2.56 -0.04 0.00 1.01 0.00 0.00 42.92 41.16 1cck s ASP 146 CO 0.22 -0.57 1.04 0.00 0.21 0.00 0.00 175.17 176.07 1cck h ALA 147 N 1.84 0.64 -0.07 5.23 0.00 -1.98 -3.41 119.26 121.51 1cck h ALA 147 Ca -0.49 -0.53 -0.41 0.00 0.00 0.00 0.00 54.91 53.48 1cck h ALA 147 Cb 1.20 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 19.08 1cck h ALA 147 CO 0.60 0.61 1.30 -0.40 0.00 0.00 0.00 179.25 181.36 1cck n ASP 148 N -2.92 6.71 -3.35 0.00 5.75 -1.26 -2.08 116.55 119.41 1cck n ASP 148 Ca -0.04 -2.60 -0.12 0.00 -0.01 0.00 0.00 54.79 52.02 1cck n ASP 148 Cb 0.74 -1.45 -0.03 0.00 -1.03 0.00 0.00 41.12 39.35 1cck n ASP 148 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1cck s LYS 149 N 1.11 1.91 0.57 0.11 -0.14 -1.26 -4.97 119.74 117.07 1cck s LYS 149 Ca 0.67 -1.55 0.07 0.00 -1.36 0.00 0.00 55.97 53.80 1cck s LYS 149 Cb 0.27 0.50 0.07 0.00 -1.68 0.00 0.00 37.83 36.99 1cck s LYS 149 CO -0.04 -0.82 0.60 0.16 -0.76 0.00 0.00 175.35 174.48 1cck s ASP 150 N -3.14 4.82 0.61 2.83 -4.77 -1.26 -2.59 116.67 113.16 1cck s ASP 150 Ca 0.24 -1.10 0.30 0.00 -3.30 0.00 0.00 52.55 48.70 1cck s ASP 150 Cb -0.02 0.45 1.72 0.00 -1.09 0.00 0.00 42.92 43.98 1cck s ASP 150 CO 0.15 -1.26 2.08 0.00 0.70 0.00 0.00 175.17 176.84 1cck h ALA 151 N 0.45 1.70 0.12 2.11 0.00 -1.89 -2.03 119.26 119.71 1cck h ALA 151 Ca -0.33 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.30 1cck h ALA 151 Cb 1.30 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 1cck h ALA 151 CO 0.49 -0.31 -1.26 0.78 0.00 0.00 0.00 179.25 178.95 1cck h GLY 152 N 0.00 0.28 0.92 0.00 0.00 -1.97 -2.65 103.07 99.65 1cck h GLY 152 Ca 0.08 -0.71 0.00 0.00 0.00 0.00 0.00 47.33 46.70 1cck h GLY 152 CO -0.00 0.63 -0.07 -1.82 0.00 0.00 0.00 176.54 175.27 1cck h TYR 153 N 0.07 -0.19 -0.55 5.60 3.20 -1.77 -2.45 116.97 120.87 1cck h TYR 153 Ca -0.14 0.00 0.08 0.00 3.14 0.00 0.00 58.73 61.81 1cck h TYR 153 Cb 1.96 0.07 -0.06 0.00 1.54 0.00 0.00 36.73 40.24 1cck h TYR 153 CO 0.06 -0.12 0.21 0.28 -1.64 0.00 0.00 178.16 176.96 1cck h VAL 154 N -0.17 0.83 -0.09 1.81 2.07 -1.44 0.64 116.25 119.90 1cck h VAL 154 Ca 0.00 -0.14 -0.00 0.00 0.82 0.00 0.00 66.70 67.38 1cck h VAL 154 Cb 0.16 0.38 -0.00 0.00 -1.52 0.00 0.00 31.29 30.31 1cck h VAL 154 CO -0.02 0.07 0.04 -0.09 0.02 0.00 0.00 177.57 177.60 1cck h ARG 155 N 0.41 0.13 -0.61 1.57 2.43 -1.51 -1.73 114.38 115.06 1cck h ARG 155 Ca 0.27 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.37 1cck h ARG 155 Cb 0.29 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.79 1cck h ARG 155 CO -0.26 0.23 0.22 1.15 -1.51 0.00 0.00 179.97 179.80 1cck h THR 156 N -0.00 1.24 0.25 0.20 2.02 -1.15 -2.38 112.91 113.09 1cck h THR 156 Ca 0.03 -0.78 -0.01 0.00 0.77 0.00 0.00 66.41 66.41 1cck h THR 156 Cb 0.15 0.60 0.00 0.00 -1.74 0.00 0.00 68.15 67.16 1cck h THR 156 CO -0.00 0.30 -0.12 0.15 0.37 0.00 0.00 175.52 176.22 1cck h PHE 157 N 0.86 -0.32 0.00 3.16 3.57 -0.85 -2.98 116.94 120.39 1cck h PHE 157 Ca 0.20 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.69 1cck h PHE 157 Cb 0.25 0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.09 1cck h PHE 157 CO 0.02 -0.16 0.00 1.19 -2.23 0.00 0.00 178.31 177.12 1cck n PHE 158 N -5.22 0.77 0.05 0.41 3.72 -0.66 -1.29 117.46 115.24 1cck n PHE 158 Ca -0.10 0.32 -0.00 0.00 -0.05 0.00 0.00 57.45 57.62 1cck n PHE 158 Cb 0.17 -1.01 0.30 0.00 -0.94 0.00 0.00 39.48 38.01 1cck n PHE 158 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 1cck h GLN 159 N 0.00 0.38 0.00 -1.08 -0.00 -1.26 0.40 115.11 113.56 1cck h GLN 159 Ca 0.00 -0.10 -0.00 0.00 -0.00 0.00 0.00 58.65 58.54 1cck h GLN 159 Cb 0.30 -0.04 -0.00 0.00 0.00 0.00 0.00 27.48 27.74 1cck h GLN 159 CO 0.00 0.52 -0.01 -0.09 0.00 0.00 0.00 178.83 179.26 1cck h ARG 160 N 0.36 0.00 -0.36 1.69 2.43 -1.26 -1.63 114.38 115.61 1cck h ARG 160 Ca 0.07 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1cck h ARG 160 Cb 0.46 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 1cck h ARG 160 CO 0.03 0.01 0.00 1.28 -1.51 0.00 0.00 179.97 179.77 1cck n LEU 161 N -3.12 3.79 -2.29 3.80 4.77 -1.09 -1.55 117.00 121.31 1cck n LEU 161 Ca -0.01 -2.60 0.00 0.00 -0.03 0.00 0.00 56.01 53.36 1cck n LEU 161 Cb 0.19 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 40.82 1cck n LEU 161 CO 0.24 0.71 0.00 -0.46 -1.33 0.00 0.00 177.39 176.55 1cck n ASN 162 N 0.11 0.00 -4.69 -1.43 6.94 -0.61 -4.99 115.26 110.58 1cck n ASN 162 Ca 0.19 0.00 -0.36 0.00 -0.02 0.00 0.00 54.58 54.39 1cck n ASN 162 Cb 0.76 0.00 -0.09 0.00 -2.36 0.00 0.00 39.78 38.09 1cck n ASN 162 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 1cck s MET 163 N -2.40 4.12 0.00 -3.83 -1.94 0.11 -5.00 119.30 110.36 1cck s MET 163 Ca 0.00 -0.23 0.00 0.00 -1.71 0.00 0.00 55.69 53.75 1cck s MET 163 Cb 0.00 -3.50 0.00 0.00 2.01 0.00 0.00 34.83 33.34 1cck s MET 163 CO 0.00 0.14 0.00 0.27 -0.01 0.00 0.00 175.02 175.42 1cck n ASN 164 N 4.01 0.00 -0.05 3.03 0.23 -1.26 -4.14 115.26 117.09 1cck n ASN 164 Ca -0.15 -0.69 -0.11 0.00 -0.53 0.00 0.00 54.58 53.10 1cck n ASN 164 Cb 0.52 0.00 -0.05 0.00 -2.08 0.00 0.00 39.78 38.17 1cck n ASN 164 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1cck h ASP 165 N 0.00 0.24 -0.80 0.53 3.32 -1.99 -0.64 116.42 117.08 1cck h ASP 165 Ca 0.00 -0.14 -0.04 0.00 0.02 0.00 0.00 57.03 56.88 1cck h ASP 165 Cb 0.00 -0.06 -0.04 0.00 0.22 0.00 0.00 39.33 39.45 1cck h ASP 165 CO 0.00 0.31 0.35 -0.09 -1.72 0.00 0.00 179.24 178.09 1cck h ARG 166 N 0.15 1.17 -0.39 3.56 2.43 -1.96 -1.98 114.38 117.36 1cck h ARG 166 Ca 0.06 -0.19 -0.03 0.00 -0.81 0.00 0.00 59.98 59.01 1cck h ARG 166 Cb 0.14 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.47 1cck h ARG 166 CO -0.01 0.93 0.14 0.93 -1.51 0.00 0.00 179.97 180.45 1cck h GLU 167 N 1.15 0.60 -0.49 0.20 5.08 -1.84 -1.49 114.58 117.80 1cck h GLU 167 Ca 0.27 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1cck h GLU 167 Cb 0.17 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 1cck h GLU 167 CO -0.03 0.59 0.31 0.28 -1.00 0.00 0.00 179.01 179.16 1cck h VAL 168 N 0.49 1.13 -0.10 3.13 2.07 -0.92 -0.59 116.25 121.46 1cck h VAL 168 Ca 0.13 -0.27 -0.03 0.00 0.82 0.00 0.00 66.70 67.35 1cck h VAL 168 Cb 0.23 0.44 -0.00 0.00 -1.52 0.00 0.00 31.29 30.43 1cck h VAL 168 CO -0.01 0.13 -0.05 0.58 0.02 0.00 0.00 177.57 178.25 1cck h VAL 169 N 0.66 1.32 0.07 2.57 2.07 -1.23 -1.22 116.25 120.48 1cck h VAL 169 Ca 0.18 -1.07 0.02 0.00 0.82 0.00 0.00 66.70 66.65 1cck h VAL 169 Cb -0.05 1.82 -0.04 0.00 -1.52 0.00 0.00 31.29 31.50 1cck h VAL 169 CO -0.04 0.30 -0.25 0.00 0.02 0.00 0.00 177.57 177.61 1cck h ALA 170 N 0.64 -0.39 -0.95 1.67 0.00 -1.27 -2.27 119.26 116.70 1cck h ALA 170 Ca 0.02 -0.02 0.16 0.00 0.00 0.00 0.00 54.91 55.07 1cck h ALA 170 Cb 0.50 0.42 -0.08 0.00 0.00 0.00 0.00 17.79 18.63 1cck h ALA 170 CO 0.01 -0.77 0.60 -0.07 0.00 0.00 0.00 179.25 179.03 1cck h LEU 171 N -0.43 0.71 -1.53 0.00 4.07 -1.04 -1.48 115.31 115.61 1cck h LEU 171 Ca 0.04 0.06 -0.02 0.00 0.08 0.00 0.00 57.88 58.04 1cck h LEU 171 Cb 0.48 -0.08 -0.00 0.00 1.08 0.00 0.00 40.66 42.14 1cck h LEU 171 CO -0.18 0.32 -0.10 -0.03 -1.08 0.00 0.00 178.44 177.37 1cck h MET 172 N 0.73 0.00 0.00 1.13 4.05 -0.63 -2.49 114.93 117.72 1cck h MET 172 Ca 0.50 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.92 1cck h MET 172 Cb 0.80 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.60 1cck h MET 172 CO -0.26 0.10 0.00 0.41 0.23 0.00 0.00 176.91 177.39 1cck n GLY 173 N -0.14 -0.82 0.04 1.39 0.00 -0.56 -1.64 105.19 103.47 1cck n GLY 173 Ca -0.00 -0.02 0.08 0.00 0.00 0.00 0.00 46.02 46.08 1cck n GLY 173 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cck n ALA 174 N -1.51 1.61 0.85 4.61 0.00 -0.94 -2.47 120.51 122.66 1cck n ALA 174 Ca 0.02 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.54 1cck n ALA 174 Cb 0.11 -1.27 0.44 0.00 0.00 0.00 0.00 19.45 18.72 1cck n ALA 174 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1cck n HIS 175 N -1.75 0.00 0.27 0.00 8.25 -0.65 -1.53 115.22 119.81 1cck n HIS 175 Ca 0.03 0.00 0.18 0.00 -0.26 0.00 0.00 57.72 57.67 1cck n HIS 175 Cb 0.18 -0.21 0.97 0.00 1.12 0.00 0.00 29.99 32.05 1cck n HIS 175 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1cck h ALA 176 N 2.85 1.00 -2.81 -1.41 0.00 -1.74 -3.40 119.26 113.75 1cck h ALA 176 Ca 0.00 0.00 -0.63 0.00 0.00 0.00 0.00 54.91 54.28 1cck h ALA 176 Cb 0.11 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.83 1cck h ALA 176 CO 0.00 0.00 -0.37 -0.51 0.00 0.00 0.00 179.25 178.37 1cck s LEU 177 N -5.52 4.36 0.00 0.00 1.43 -0.58 -4.15 118.68 114.23 1cck s LEU 177 Ca -0.04 0.59 0.00 0.00 -1.03 0.00 0.00 54.13 53.65 1cck s LEU 177 Cb 0.10 -2.27 0.00 0.00 0.03 0.00 0.00 46.19 44.05 1cck s LEU 177 CO 0.33 0.30 0.00 0.61 0.23 0.00 0.00 176.35 177.82 1cck n GLY 178 N 2.39 0.57 3.74 -3.19 0.00 0.16 -4.94 105.19 103.92 1cck n GLY 178 Ca -0.16 -0.80 -0.06 0.00 0.00 0.00 0.00 46.02 45.00 1cck n GLY 178 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1cck s LYS 179 N 0.00 1.36 0.46 1.61 -2.85 -1.26 -4.26 119.74 114.80 1cck s LYS 179 Ca 0.00 -0.72 -0.10 0.00 -1.00 0.00 0.00 55.97 54.15 1cck s LYS 179 Cb 0.00 0.48 -0.06 0.00 -2.06 0.00 0.00 37.83 36.20 1cck s LYS 179 CO 0.00 -0.62 0.83 0.95 0.10 0.00 0.00 175.35 176.61 1cck s THR 180 N -3.51 4.77 -0.07 3.79 -4.23 0.09 -4.95 115.64 111.54 1cck s THR 180 Ca 0.10 0.64 -0.01 0.00 -1.18 0.00 0.00 61.69 61.25 1cck s THR 180 Cb -0.03 -3.77 0.03 0.00 1.34 0.00 0.00 72.50 70.06 1cck s THR 180 CO 0.02 -0.68 -0.01 -1.00 -0.54 0.00 0.00 174.62 172.40 1cck s HIS 181 N -2.57 0.73 0.24 3.99 0.09 -0.98 -2.77 115.29 114.02 1cck s HIS 181 Ca 0.52 -0.21 -0.05 0.00 -0.00 0.00 0.00 55.06 55.32 1cck s HIS 181 Cb -0.10 -0.80 0.45 0.00 -0.00 0.00 0.00 32.58 32.12 1cck s HIS 181 CO 0.37 -0.31 1.72 1.25 -0.00 0.00 0.00 174.74 177.76 1cck h LEU 182 N 8.11 0.20 -1.79 0.89 5.85 -1.58 0.42 115.31 127.41 1cck h LEU 182 Ca -0.24 0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.57 1cck h LEU 182 Cb 1.13 0.11 -0.00 0.00 0.37 0.00 0.00 40.66 42.27 1cck h LEU 182 CO 0.31 0.07 -0.16 0.50 -0.34 0.00 0.00 178.44 178.82 1cck h LYS 183 N 0.39 0.00 0.00 1.25 3.64 -1.97 -1.81 116.57 118.07 1cck h LYS 183 Ca 0.41 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.76 1cck h LYS 183 Cb 0.63 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.45 1cck h LYS 183 CO -0.42 0.16 -0.32 -0.91 -2.27 0.00 0.00 179.45 175.68 1cck h ASN 184 N 0.00 0.00 -0.05 4.20 2.35 -1.26 -3.44 115.58 117.38 1cck h ASN 184 Ca -0.00 -0.14 0.00 0.00 -0.55 0.00 0.00 56.30 55.61 1cck h ASN 184 Cb 0.36 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.73 1cck h ASN 184 CO 0.02 0.74 0.00 -1.54 -1.65 0.00 0.00 177.43 175.00 1cck n SER 185 N -4.67 1.94 -0.02 5.81 3.41 -0.89 -4.79 113.62 114.42 1cck n SER 185 Ca -0.07 -1.48 -0.00 0.00 -0.26 0.00 0.00 58.87 57.05 1cck n SER 185 Cb 0.21 -0.03 -0.00 0.00 -0.26 0.00 0.00 64.21 64.14 1cck n SER 185 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1cck n GLY 186 N 0.53 0.47 3.22 5.00 0.00 -0.68 -5.04 105.19 108.69 1cck n GLY 186 Ca 0.06 -0.18 -0.20 0.00 0.00 0.00 0.00 46.02 45.70 1cck n GLY 186 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1cck s TYR 187 N -1.95 1.41 -0.03 1.61 2.02 -1.26 -4.62 117.35 114.53 1cck s TYR 187 Ca 0.00 -0.48 0.00 0.00 -0.37 0.00 0.00 57.07 56.23 1cck s TYR 187 Cb 0.00 -0.77 0.03 0.00 -0.40 0.00 0.00 41.96 40.82 1cck s TYR 187 CO 0.00 0.12 -0.00 -2.00 -1.57 0.00 0.00 175.55 172.10 1cck s GLU 188 N -2.06 0.37 0.00 -0.62 2.56 -1.26 -1.36 118.70 116.33 1cck s GLU 188 Ca 0.03 0.07 0.00 0.00 0.00 0.00 0.00 54.97 55.07 1cck s GLU 188 Cb -0.08 -0.57 0.00 0.00 2.00 0.00 0.00 34.13 35.48 1cck s GLU 188 CO 0.03 -0.15 0.00 0.41 -0.56 0.00 0.00 175.26 174.99 1cck n GLY 189 N 4.26 4.02 3.91 -1.50 0.00 -1.11 -4.88 105.19 109.89 1cck n GLY 189 Ca -0.24 -1.63 -0.28 0.00 0.00 0.00 0.00 46.02 43.87 1cck n GLY 189 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1cck s PRO 190 N -3.18 2.74 0.05 1.61 0.04 -1.26 -0.73 135.00 134.27 1cck s PRO 190 Ca 0.00 0.14 0.24 0.00 0.04 0.00 0.00 61.00 61.42 1cck s PRO 190 Cb 0.00 -2.15 0.20 0.00 0.04 0.00 0.00 34.50 32.60 1cck s PRO 190 CO 0.00 -0.95 1.18 0.91 0.04 0.00 0.00 177.00 178.17 1cck n TRP 191 N -2.83 0.24 -3.77 0.56 8.01 -1.26 -0.64 117.44 117.75 1cck n TRP 191 Ca 0.06 0.07 -0.01 0.00 -1.31 0.00 0.00 57.50 56.31 1cck n TRP 191 Cb 0.58 -0.40 0.01 0.00 -2.01 0.00 0.00 31.31 29.49 1cck n TRP 191 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1cck n GLY 192 N 1.40 0.76 0.08 6.99 0.00 -1.26 -4.72 105.19 108.44 1cck n GLY 192 Ca 0.03 -1.05 -0.16 0.00 0.00 0.00 0.00 46.02 44.85 1cck n GLY 192 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cck h ALA 193 N 2.00 -0.03 -0.71 4.61 0.00 -1.95 -3.39 119.26 119.79 1cck h ALA 193 Ca -0.16 -0.56 -0.74 0.00 0.00 0.00 0.00 54.91 53.44 1cck h ALA 193 Cb 0.75 0.03 -0.13 0.00 0.00 0.00 0.00 17.79 18.44 1cck h ALA 193 CO 0.22 0.11 2.34 0.00 0.00 0.00 0.00 179.25 181.92 1cck n ALA 194 N -2.63 6.34 0.89 0.00 0.00 -1.26 -4.84 120.51 119.01 1cck n ALA 194 Ca -0.11 -4.15 0.00 0.00 0.00 0.00 0.00 53.44 49.18 1cck n ALA 194 Cb 0.58 -2.87 0.00 0.00 0.00 0.00 0.00 19.45 17.16 1cck n ALA 194 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1cck n ASN 195 N 2.54 1.59 -1.79 0.00 2.04 -1.26 -3.25 115.26 115.13 1cck n ASN 195 Ca 0.55 -1.79 0.00 0.00 -0.44 0.00 0.00 54.58 52.91 1cck n ASN 195 Cb 0.29 -0.45 0.02 0.00 -2.53 0.00 0.00 39.78 37.11 1cck n ASN 195 CO 0.00 0.00 0.00 -0.46 -0.44 0.00 0.00 177.26 176.36 1cck n ASN 196 N 0.25 0.43 -3.82 0.53 0.23 -1.26 -0.66 115.26 110.95 1cck n ASN 196 Ca 0.00 -2.03 -0.16 0.00 -0.53 0.00 0.00 54.58 51.87 1cck n ASN 196 Cb 0.31 -0.11 -0.16 0.00 -2.08 0.00 0.00 39.78 37.75 1cck n ASN 196 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1cck s VAL 197 N -0.80 0.11 -0.45 3.53 1.01 -1.20 -4.79 120.40 117.81 1cck s VAL 197 Ca 0.23 0.08 -0.25 0.00 0.00 0.00 0.00 61.98 62.04 1cck s VAL 197 Cb 0.30 -0.19 0.02 0.00 0.00 0.00 0.00 36.38 36.51 1cck s VAL 197 CO -0.10 0.11 0.88 0.12 0.00 0.00 0.00 175.10 176.11 1cck s PHE 198 N 0.79 2.96 0.31 5.22 5.36 0.40 -4.83 117.98 128.20 1cck s PHE 198 Ca -0.07 0.37 0.04 0.00 -0.96 0.00 0.00 56.93 56.30 1cck s PHE 198 Cb -0.11 -3.85 -0.03 0.00 -0.34 0.00 0.00 43.02 38.70 1cck s PHE 198 CO -0.02 -1.03 0.30 0.95 -1.46 0.00 0.00 175.22 173.95 1cck s THR 199 N 3.59 0.00 -0.60 0.12 -4.23 -1.26 -4.59 115.64 108.67 1cck s THR 199 Ca 0.35 -1.91 0.01 0.00 -1.18 0.00 0.00 61.69 58.96 1cck s THR 199 Cb -0.11 -2.52 0.06 0.00 1.34 0.00 0.00 72.50 71.27 1cck s THR 199 CO 0.24 0.00 0.78 -0.46 -0.54 0.00 0.00 174.62 174.64 1cck n ASN 200 N -1.28 2.02 -0.11 3.99 6.94 -1.26 -4.47 115.26 121.09 1cck n ASN 200 Ca 0.05 -2.10 0.05 0.00 -0.02 0.00 0.00 54.58 52.57 1cck n ASN 200 Cb 0.63 -0.52 0.38 0.00 -2.36 0.00 0.00 39.78 37.91 1cck n ASN 200 CO 0.00 0.00 0.00 -0.08 -1.03 0.00 0.00 177.26 176.15 1cck h GLU 201 N 0.24 0.66 -0.68 -3.83 4.81 -1.95 -2.64 114.58 111.20 1cck h GLU 201 Ca 0.02 -0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.23 1cck h GLU 201 Cb 0.82 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 30.02 1cck h GLU 201 CO 0.06 0.44 0.45 -0.92 -0.73 0.00 0.00 179.01 178.30 1cck h TYR 202 N 0.68 0.81 -0.17 0.92 3.20 -1.86 -1.18 116.97 119.38 1cck h TYR 202 Ca 0.25 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 62.06 1cck h TYR 202 Cb 0.13 -0.27 -0.00 0.00 1.54 0.00 0.00 36.73 38.12 1cck h TYR 202 CO -0.00 0.49 -0.19 1.88 -1.64 0.00 0.00 178.16 178.70 1cck h TYR 203 N 0.86 0.53 -0.61 -3.82 0.05 -1.82 -1.91 116.97 110.25 1cck h TYR 203 Ca 0.26 -0.16 0.01 0.00 0.05 0.00 0.00 58.73 58.88 1cck h TYR 203 Cb -0.01 -0.11 -0.03 0.00 1.01 0.00 0.00 36.73 37.59 1cck h TYR 203 CO -0.00 0.82 0.40 -0.07 -1.05 0.00 0.00 178.16 178.26 1cck h LEU 204 N 0.08 0.70 -0.98 3.88 3.38 -1.45 -0.83 115.31 120.10 1cck h LEU 204 Ca 0.03 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1cck h LEU 204 Cb 0.74 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.29 1cck h LEU 204 CO 0.05 0.51 0.15 0.78 0.09 0.00 0.00 178.44 180.01 1cck h ASN 205 N 0.83 0.83 -0.49 -0.43 4.21 -1.22 0.85 115.58 120.15 1cck h ASN 205 Ca 0.22 -0.15 -0.09 0.00 1.21 0.00 0.00 56.30 57.50 1cck h ASN 205 Cb -0.09 -0.22 -0.02 0.00 -1.12 0.00 0.00 38.32 36.87 1cck h ASN 205 CO -0.05 0.80 -0.04 0.25 -1.29 0.00 0.00 177.43 177.11 1cck h LEU 206 N 0.85 0.89 0.00 1.61 5.85 -0.78 -2.30 115.31 121.43 1cck h LEU 206 Ca 0.19 -0.33 0.00 0.00 0.84 0.00 0.00 57.88 58.58 1cck h LEU 206 Cb 0.30 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.09 1cck h LEU 206 CO -0.00 1.00 -0.28 0.18 -0.34 0.00 0.00 178.44 179.00 1cck n LEU 207 N -4.29 0.52 -0.00 2.25 4.77 -0.37 -4.51 117.00 115.38 1cck n LEU 207 Ca 0.01 0.35 0.02 0.00 -0.03 0.00 0.00 56.01 56.35 1cck n LEU 207 Cb 0.34 -0.31 -0.03 0.00 -2.33 0.00 0.00 43.42 41.09 1cck n LEU 207 CO 0.43 -0.04 -0.45 0.59 -1.33 0.00 0.00 177.39 176.59 1cck n ASN 208 N -1.89 3.49 -4.79 -1.43 5.03 0.27 -5.02 115.26 110.92 1cck n ASN 208 Ca 0.05 -0.10 -0.37 0.00 0.87 0.00 0.00 54.58 55.03 1cck n ASN 208 Cb 0.39 1.14 -0.06 0.00 -1.02 0.00 0.00 39.78 40.23 1cck n ASN 208 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 1cck s GLU 209 N -2.10 4.45 -1.05 3.52 0.41 -0.87 -4.97 118.70 118.09 1cck s GLU 209 Ca -0.01 1.13 -0.22 0.00 -0.41 0.00 0.00 54.97 55.45 1cck s GLU 209 Cb 0.02 -2.89 0.04 0.00 -1.78 0.00 0.00 34.13 29.52 1cck s GLU 209 CO 0.15 0.36 1.57 0.34 -0.49 0.00 0.00 175.26 177.19 1cck s ASP 210 N -1.58 6.34 0.07 -0.19 2.15 -1.26 -4.99 116.67 117.21 1cck s ASP 210 Ca 0.46 -1.50 -0.30 0.00 0.43 0.00 0.00 52.55 51.63 1cck s ASP 210 Cb -0.18 -2.57 -0.05 0.00 -0.30 0.00 0.00 42.92 39.81 1cck s ASP 210 CO 0.23 -1.66 1.06 0.26 -0.17 0.00 0.00 175.17 174.89 1cck s TRP 211 N 5.68 3.61 -0.14 -5.34 0.52 -1.26 -4.19 118.94 117.83 1cck s TRP 211 Ca 0.51 1.58 0.01 0.00 0.02 0.00 0.00 56.10 58.22 1cck s TRP 211 Cb -0.00 -3.22 -0.00 0.00 -1.15 0.00 0.00 33.47 29.09 1cck s TRP 211 CO -0.06 -0.44 -0.17 0.21 0.02 0.00 0.00 176.95 176.51 1cck s LYS 212 N 0.60 3.21 -0.10 4.98 2.20 0.67 -4.89 119.74 126.41 1cck s LYS 212 Ca 0.53 -0.77 -0.30 0.00 -0.36 0.00 0.00 55.97 55.07 1cck s LYS 212 Cb -0.25 -2.56 -0.03 0.00 -1.51 0.00 0.00 37.83 33.49 1cck s LYS 212 CO 0.30 0.08 1.25 -1.17 -0.36 0.00 0.00 175.35 175.46 1cck s LEU 213 N 0.63 4.23 0.07 5.43 2.96 -1.26 -0.61 118.68 130.13 1cck s LEU 213 Ca -0.09 1.78 -0.01 0.00 -0.22 0.00 0.00 54.13 55.60 1cck s LEU 213 Cb -0.16 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 42.94 1cck s LEU 213 CO 0.03 -0.69 -0.02 -1.61 -1.32 0.00 0.00 176.35 172.74 1cck s GLU 214 N 2.89 0.68 0.19 1.98 2.02 -0.26 -4.96 118.70 121.23 1cck s GLU 214 Ca 0.56 -1.26 -0.18 0.00 0.02 0.00 0.00 54.97 54.11 1cck s GLU 214 Cb -0.24 0.17 -0.08 0.00 0.10 0.00 0.00 34.13 34.09 1cck s GLU 214 CO 0.19 -0.12 0.66 0.15 0.02 0.00 0.00 175.26 176.15 1cck s LYS 215 N -3.93 4.15 0.47 1.61 1.02 -1.26 -1.17 119.74 120.62 1cck s LYS 215 Ca 0.10 0.73 0.03 0.00 0.02 0.00 0.00 55.97 56.85 1cck s LYS 215 Cb 0.08 -2.91 0.09 0.00 -0.52 0.00 0.00 37.83 34.57 1cck s LYS 215 CO -0.08 0.43 0.64 0.27 -0.92 0.00 0.00 175.35 175.70 1cck n ASN 216 N 0.78 1.24 0.25 2.83 0.23 -0.06 -4.94 115.26 115.59 1cck n ASN 216 Ca -0.04 -1.96 0.17 0.00 -0.53 0.00 0.00 54.58 52.23 1cck n ASN 216 Cb 0.51 -0.38 0.87 0.00 -2.08 0.00 0.00 39.78 38.70 1cck n ASN 216 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1cck h ASP 217 N -0.18 0.00 -0.26 0.53 3.32 -1.92 -1.86 116.42 116.05 1cck h ASP 217 Ca -0.21 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.84 1cck h ASP 217 Cb 0.88 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.43 1cck h ASP 217 CO 0.26 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.78 1cck n ALA 218 N -1.94 2.48 -1.59 3.45 0.00 -1.26 -4.92 120.51 116.73 1cck n ALA 218 Ca -0.02 -0.59 -0.12 0.00 0.00 0.00 0.00 53.44 52.72 1cck n ALA 218 Cb 0.09 -1.03 -0.04 0.00 0.00 0.00 0.00 19.45 18.47 1cck n ALA 218 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1cck n ASN 219 N 0.46 -4.30 -4.85 0.00 5.03 -0.70 -5.04 115.26 105.85 1cck n ASN 219 Ca 0.15 0.22 -0.30 0.00 0.87 0.00 0.00 54.58 55.51 1cck n ASN 219 Cb 0.33 -3.04 -0.05 0.00 -1.02 0.00 0.00 39.78 36.00 1cck n ASN 219 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.26 175.63 1cck s ASN 220 N -2.76 5.96 0.21 6.41 0.02 -1.26 -4.84 114.94 118.69 1cck s ASN 220 Ca 0.00 0.12 -0.17 0.00 -1.02 0.00 0.00 52.86 51.80 1cck s ASN 220 Cb 0.00 -1.73 -0.08 0.00 0.02 0.00 0.00 41.25 39.46 1cck s ASN 220 CO 0.00 0.16 0.66 -1.61 0.02 0.00 0.00 177.10 176.32 1cck s GLU 221 N -2.55 4.10 0.04 -0.60 2.02 -1.26 -0.88 118.70 119.57 1cck s GLU 221 Ca 0.32 0.68 -0.17 0.00 0.02 0.00 0.00 54.97 55.83 1cck s GLU 221 Cb -0.12 -2.82 0.03 0.00 0.10 0.00 0.00 34.13 31.32 1cck s GLU 221 CO 0.25 0.38 0.37 1.14 0.02 0.00 0.00 175.26 177.43 1cck s GLN 222 N -2.17 0.88 -0.35 1.61 -2.07 -0.32 -4.54 119.66 112.71 1cck s GLN 222 Ca 0.43 -0.41 -0.23 0.00 -1.82 0.00 0.00 55.36 53.33 1cck s GLN 222 Cb -0.15 0.39 0.01 0.00 -1.09 0.00 0.00 33.01 32.17 1cck s GLN 222 CO 0.20 -0.29 0.76 -1.58 -1.32 0.00 0.00 175.29 173.05 1cck s TRP 223 N -2.49 3.14 -0.09 9.60 0.52 -0.37 -1.11 118.94 128.14 1cck s TRP 223 Ca -0.05 0.58 -0.02 0.00 0.02 0.00 0.00 56.10 56.63 1cck s TRP 223 Cb -0.01 -3.31 -0.03 0.00 -1.15 0.00 0.00 33.47 28.97 1cck s TRP 223 CO -0.03 -0.67 -0.00 -0.51 0.02 0.00 0.00 176.95 175.76 1cck s ASP 224 N 1.78 5.19 0.21 2.95 1.01 0.22 -0.56 116.67 127.46 1cck s ASP 224 Ca 0.30 0.12 0.09 0.00 0.71 0.00 0.00 52.55 53.77 1cck s ASP 224 Cb -0.14 -1.47 -0.04 0.00 1.01 0.00 0.00 42.92 42.28 1cck s ASP 224 CO 0.15 0.36 -0.04 -0.94 0.21 0.00 0.00 175.17 174.92 1cck s SER 225 N -0.80 4.48 0.43 0.27 1.04 -0.15 -0.24 113.70 118.74 1cck s SER 225 Ca 0.12 -0.57 0.23 0.00 0.48 0.00 0.00 55.95 56.22 1cck s SER 225 Cb -0.11 -0.83 1.23 0.00 0.10 0.00 0.00 66.02 66.40 1cck s SER 225 CO 0.02 0.06 1.76 0.11 0.98 0.00 0.00 173.24 176.18 1cck h LYS 226 N 2.45 0.27 0.00 4.02 6.56 -1.89 -1.70 116.57 126.29 1cck h LYS 226 Ca -0.46 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.12 1cck h LYS 226 Cb 1.22 -0.06 0.00 0.00 -0.57 0.00 0.00 32.23 32.82 1cck h LYS 226 CO 0.58 0.18 0.00 0.43 -2.06 0.00 0.00 179.45 178.57 1cck n SER 227 N -4.54 0.00 0.00 0.86 7.64 -1.26 -4.84 113.62 111.48 1cck n SER 227 Ca 0.26 -0.13 0.00 0.00 1.01 0.00 0.00 58.87 60.01 1cck n SER 227 Cb 1.01 -0.16 0.00 0.00 -1.01 0.00 0.00 64.21 64.05 1cck n SER 227 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1cck n GLY 228 N -0.18 0.76 3.96 0.23 0.00 -0.64 -5.07 105.19 104.25 1cck n GLY 228 Ca 0.08 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.88 1cck n GLY 228 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1cck s TYR 229 N -2.35 3.46 0.12 1.61 2.02 -1.25 -4.57 117.35 116.39 1cck s TYR 229 Ca 0.00 0.04 0.05 0.00 -0.37 0.00 0.00 57.07 56.79 1cck s TYR 229 Cb 0.00 -1.62 -0.04 0.00 -0.40 0.00 0.00 41.96 39.90 1cck s TYR 229 CO 0.00 0.41 -0.12 0.00 -1.57 0.00 0.00 175.55 174.27 1cck s MET 230 N -3.94 0.99 -0.03 -0.62 0.23 0.19 -0.97 119.30 115.15 1cck s MET 230 Ca 0.35 -1.27 0.04 0.00 -1.03 0.00 0.00 55.69 53.78 1cck s MET 230 Cb -0.09 -0.74 -0.00 0.00 -1.53 0.00 0.00 34.83 32.46 1cck s MET 230 CO 0.30 0.12 -0.14 -1.64 -2.03 0.00 0.00 175.02 171.63 1cck s MET 231 N -2.96 1.32 0.65 3.16 -1.94 0.27 -4.22 119.30 115.57 1cck s MET 231 Ca 0.10 -0.49 -0.13 0.00 -1.71 0.00 0.00 55.69 53.47 1cck s MET 231 Cb -0.03 -1.21 -0.01 0.00 2.01 0.00 0.00 34.83 35.59 1cck s MET 231 CO 0.02 0.23 1.05 -0.51 -0.01 0.00 0.00 175.02 175.80 1cck s LEU 232 N -0.05 3.29 0.21 -0.03 1.43 -1.26 -1.24 118.68 121.04 1cck s LEU 232 Ca -0.00 1.68 -0.14 0.00 -1.03 0.00 0.00 54.13 54.63 1cck s LEU 232 Cb -0.09 -4.51 0.23 0.00 0.03 0.00 0.00 46.19 41.86 1cck s LEU 232 CO 0.01 -1.28 1.61 -0.65 0.23 0.00 0.00 176.35 176.27 1cck h PRO 233 N -0.20 -0.03 -0.62 1.29 0.11 -1.80 0.14 132.00 130.89 1cck h PRO 233 Ca -0.45 0.00 0.07 0.00 0.11 0.00 0.00 66.00 65.73 1cck h PRO 233 Cb 1.21 0.01 -0.04 0.00 0.11 0.00 0.00 31.00 32.29 1cck h PRO 233 CO 0.57 -0.02 0.41 1.79 -0.21 0.00 0.00 178.00 180.54 1cck h THR 234 N -0.03 0.97 -0.19 -1.15 1.35 -1.15 -0.00 112.91 112.70 1cck h THR 234 Ca 0.30 -0.19 -0.09 0.00 -0.55 0.00 0.00 66.41 65.88 1cck h THR 234 Cb 0.50 0.36 -0.00 0.00 -1.73 0.00 0.00 68.15 67.28 1cck h THR 234 CO -0.68 0.10 -0.22 0.44 -0.25 0.00 0.00 175.52 174.91 1cck h ASP 235 N 0.56 0.53 0.00 5.36 3.32 -1.51 -3.19 116.42 121.49 1cck h ASP 235 Ca 0.27 -0.49 -0.04 0.00 0.02 0.00 0.00 57.03 56.79 1cck h ASP 235 Cb 0.34 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 1cck h ASP 235 CO -0.08 0.91 -0.09 0.22 -1.72 0.00 0.00 179.24 178.48 1cck h TYR 236 N 0.15 0.21 -1.28 4.55 3.20 -0.36 -2.30 116.97 121.14 1cck h TYR 236 Ca 0.03 -0.02 0.38 0.00 3.14 0.00 0.00 58.73 62.26 1cck h TYR 236 Cb 0.78 -0.06 -0.09 0.00 1.54 0.00 0.00 36.73 38.89 1cck h TYR 236 CO 0.08 0.30 0.87 0.77 -1.64 0.00 0.00 178.16 178.54 1cck h SER 237 N 0.20 0.21 0.55 -2.11 0.02 -1.00 -1.68 113.55 109.74 1cck h SER 237 Ca 0.04 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 1cck h SER 237 Cb 0.29 0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.87 1cck h SER 237 CO 0.01 -0.03 0.00 0.18 -1.14 0.00 0.00 176.83 175.85 1cck n LEU 238 N -4.45 0.12 -0.18 5.07 4.77 -0.87 -1.74 117.00 119.73 1cck n LEU 238 Ca 0.32 0.53 0.05 0.00 -0.03 0.00 0.00 56.01 56.88 1cck n LEU 238 Cb 1.29 -0.51 -0.02 0.00 -2.33 0.00 0.00 43.42 41.85 1cck n LEU 238 CO 0.30 -0.30 0.15 2.30 -1.33 0.00 0.00 177.39 178.51 1cck n ILE 239 N -1.63 0.00 0.05 -0.08 -5.35 -0.64 -1.87 119.36 109.84 1cck n ILE 239 Ca 0.03 -0.34 -0.07 0.00 -0.27 0.00 0.00 62.75 62.10 1cck n ILE 239 Cb 0.18 1.09 -0.12 0.00 -1.74 0.00 0.00 39.64 39.06 1cck n ILE 239 CO 0.00 0.00 0.00 1.56 -1.76 0.00 0.00 176.55 176.35 1cck h GLN 240 N 0.89 0.00 -5.62 6.28 4.20 -1.28 -3.46 115.11 116.13 1cck h GLN 240 Ca 0.00 -0.00 -0.59 0.00 0.06 0.00 0.00 58.65 58.12 1cck h GLN 240 Cb 0.35 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 28.04 1cck h GLN 240 CO 0.00 0.93 -0.13 0.34 -0.67 0.00 0.00 178.83 179.30 1cck s ASP 241 N -6.62 6.60 0.33 1.46 -1.08 -0.75 -4.98 116.67 111.62 1cck s ASP 241 Ca 0.00 0.71 0.03 0.00 -0.52 0.00 0.00 52.55 52.77 1cck s ASP 241 Cb 0.10 -2.27 0.59 0.00 -1.46 0.00 0.00 42.92 39.87 1cck s ASP 241 CO 0.82 -0.06 1.90 1.55 0.52 0.00 0.00 175.17 179.91 1cck h PRO 242 N 7.03 0.64 -0.06 4.34 0.13 -1.92 -0.56 132.00 141.60 1cck h PRO 242 Ca -0.38 -0.11 -0.03 0.00 -0.87 0.00 0.00 66.00 64.61 1cck h PRO 242 Cb 1.17 -0.11 -0.00 0.00 0.13 0.00 0.00 31.00 32.19 1cck h PRO 242 CO 0.75 0.57 -0.10 0.87 -0.23 0.00 0.00 178.00 179.86 1cck h LYS 243 N 0.62 0.17 -0.68 0.86 1.57 -1.95 -3.10 116.57 114.07 1cck h LYS 243 Ca 0.14 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1cck h LYS 243 Cb 0.22 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.51 1cck h LYS 243 CO -0.01 0.67 0.43 1.88 -0.57 0.00 0.00 179.45 181.86 1cck h TYR 244 N -0.31 0.86 -0.66 -1.35 0.05 -1.73 -3.07 116.97 110.76 1cck h TYR 244 Ca 0.00 0.01 0.04 0.00 0.05 0.00 0.00 58.73 58.83 1cck h TYR 244 Cb 0.66 -0.29 -0.04 0.00 1.01 0.00 0.00 36.73 38.07 1cck h TYR 244 CO 0.11 0.56 0.44 1.25 -1.05 0.00 0.00 178.16 179.46 1cck h LEU 245 N 0.92 0.66 -1.12 3.88 5.85 -0.36 0.66 115.31 125.80 1cck h LEU 245 Ca 0.25 -0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.87 1cck h LEU 245 Cb -0.08 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.79 1cck h LEU 245 CO -0.05 0.45 -0.42 0.77 -0.34 0.00 0.00 178.44 178.85 1cck h SER 246 N 0.77 0.00 -0.04 1.25 4.64 -1.45 -2.07 113.55 116.64 1cck h SER 246 Ca 0.27 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.48 1cck h SER 246 Cb 0.10 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.20 1cck h SER 246 CO -0.08 0.42 -0.37 0.40 -0.87 0.00 0.00 176.83 176.33 1cck h ILE 247 N 0.00 1.44 -0.77 0.95 2.04 -1.00 -2.72 117.51 117.46 1cck h ILE 247 Ca -0.00 -1.84 0.18 0.00 1.00 0.00 0.00 64.86 64.19 1cck h ILE 247 Cb 0.79 2.45 -0.12 0.00 -0.74 0.00 0.00 36.82 39.21 1cck h ILE 247 CO 0.05 0.53 0.15 0.58 0.00 0.00 0.00 178.15 179.46 1cck h VAL 248 N -0.19 0.43 -0.73 1.67 2.07 -0.99 -1.00 116.25 117.51 1cck h VAL 248 Ca -0.03 -0.07 -0.04 0.00 0.82 0.00 0.00 66.70 67.37 1cck h VAL 248 Cb 1.06 0.20 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 1cck h VAL 248 CO 0.08 0.04 0.28 0.11 0.02 0.00 0.00 177.57 178.10 1cck h LYS 249 N 0.22 1.09 -0.61 1.57 1.57 -1.36 -0.99 116.57 118.06 1cck h LYS 249 Ca 0.44 -0.19 -0.03 0.00 -1.87 0.00 0.00 60.65 58.99 1cck h LYS 249 Cb 0.79 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.89 1cck h LYS 249 CO -0.57 0.89 0.25 1.49 -0.57 0.00 0.00 179.45 180.93 1cck h GLU 250 N 1.06 0.91 -0.02 3.15 4.81 -0.96 -1.14 114.58 122.40 1cck h GLU 250 Ca 0.24 -0.16 -0.17 0.00 -0.13 0.00 0.00 59.36 59.14 1cck h GLU 250 Cb 0.21 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 1cck h GLU 250 CO -0.02 0.77 -0.74 1.88 -0.73 0.00 0.00 179.01 180.17 1cck h TYR 251 N 0.85 0.20 -0.79 0.92 0.05 -0.86 -1.48 116.97 115.86 1cck h TYR 251 Ca 0.20 -0.10 -0.02 0.00 0.05 0.00 0.00 58.73 58.87 1cck h TYR 251 Cb 0.20 -0.03 -0.04 0.00 1.01 0.00 0.00 36.73 37.87 1cck h TYR 251 CO 0.01 0.83 0.42 0.00 -1.05 0.00 0.00 178.16 178.37 1cck h ALA 252 N 1.14 1.02 -0.00 3.88 0.00 -1.01 -2.84 119.26 121.45 1cck h ALA 252 Ca -0.02 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1cck h ALA 252 Cb 1.31 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1cck h ALA 252 CO 0.11 0.55 -0.17 0.09 0.00 0.00 0.00 179.25 179.83 1cck n ASN 253 N -4.40 0.18 -3.31 0.00 3.02 -0.45 -4.68 115.26 105.62 1cck n ASN 253 Ca 0.08 0.20 -0.11 0.00 -0.03 0.00 0.00 54.58 54.71 1cck n ASN 253 Cb 0.11 -0.24 -0.06 0.00 -0.61 0.00 0.00 39.78 38.98 1cck n ASN 253 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1cck s ASP 254 N -2.97 0.32 0.29 6.41 -1.08 -0.57 -5.01 116.67 114.07 1cck s ASP 254 Ca 0.14 -1.28 -0.01 0.00 -0.52 0.00 0.00 52.55 50.88 1cck s ASP 254 Cb 0.19 1.01 0.47 0.00 -1.46 0.00 0.00 42.92 43.13 1cck s ASP 254 CO 0.58 -0.24 1.92 -0.61 0.52 0.00 0.00 175.17 177.35 1cck h GLN 255 N 7.10 1.06 -0.61 4.34 4.15 -1.83 -2.11 115.11 127.21 1cck h GLN 255 Ca 0.04 -0.06 -0.04 0.00 0.77 0.00 0.00 58.65 59.36 1cck h GLN 255 Cb 1.10 -0.24 -0.03 0.00 0.21 0.00 0.00 27.48 28.52 1cck h GLN 255 CO 0.17 0.70 0.21 -0.44 -1.93 0.00 0.00 178.83 177.54 1cck h ASP 256 N 1.10 0.84 -0.39 -0.69 3.32 -1.95 0.15 116.42 118.80 1cck h ASP 256 Ca 0.37 -0.13 -0.06 0.00 0.02 0.00 0.00 57.03 57.23 1cck h ASP 256 Cb 0.09 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 1cck h ASP 256 CO -0.13 0.78 0.01 0.50 -1.72 0.00 0.00 179.24 178.68 1cck h LYS 257 N 0.88 0.68 -0.64 3.56 1.63 -1.87 -1.31 116.57 119.51 1cck h LYS 257 Ca 0.20 -0.21 0.03 0.00 -0.85 0.00 0.00 60.65 59.82 1cck h LYS 257 Cb 0.23 -0.06 -0.04 0.00 -0.60 0.00 0.00 32.23 31.75 1cck h LYS 257 CO -0.01 0.77 0.38 0.35 -3.45 0.00 0.00 179.45 177.50 1cck h PHE 258 N 0.51 0.72 -0.07 1.91 3.57 -0.91 -1.45 116.94 121.22 1cck h PHE 258 Ca 0.11 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.63 1cck h PHE 258 Cb 0.46 -0.23 -0.00 0.00 2.79 0.00 0.00 35.95 38.97 1cck h PHE 258 CO 0.04 0.40 0.04 0.74 -2.23 0.00 0.00 178.31 177.30 1cck h PHE 259 N 0.75 0.09 -0.54 0.41 -1.00 -0.41 0.83 116.94 117.06 1cck h PHE 259 Ca 0.26 0.00 0.05 0.00 2.81 0.00 0.00 57.97 61.09 1cck h PHE 259 Cb 0.05 -0.03 -0.05 0.00 3.61 0.00 0.00 35.95 39.53 1cck h PHE 259 CO -0.06 0.08 0.27 0.87 -1.61 0.00 0.00 178.31 177.86 1cck h LYS 260 N 0.06 0.50 -0.23 1.51 6.56 -1.20 0.29 116.57 124.07 1cck h LYS 260 Ca 0.02 -0.03 -0.19 0.00 -1.06 0.00 0.00 60.65 59.39 1cck h LYS 260 Cb 0.02 -0.11 0.00 0.00 -0.57 0.00 0.00 32.23 31.57 1cck h LYS 260 CO -0.00 0.33 -0.62 -0.44 -2.06 0.00 0.00 179.45 176.66 1cck h ASP 261 N 0.52 0.88 -0.45 0.86 5.19 -1.20 -2.45 116.42 119.76 1cck h ASP 261 Ca 0.24 -0.50 -0.01 0.00 -0.62 0.00 0.00 57.03 56.14 1cck h ASP 261 Cb 0.16 -0.25 -0.02 0.00 0.18 0.00 0.00 39.33 39.40 1cck h ASP 261 CO -0.18 1.28 0.25 0.15 -3.12 0.00 0.00 179.24 177.63 1cck h PHE 262 N 0.57 0.61 -0.09 4.55 3.57 -0.77 -1.69 116.94 123.69 1cck h PHE 262 Ca -0.01 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.52 1cck h PHE 262 Cb 1.22 -0.20 -0.05 0.00 2.79 0.00 0.00 35.95 39.71 1cck h PHE 262 CO 0.07 0.45 -0.24 1.03 -2.23 0.00 0.00 178.31 177.39 1cck h SER 263 N 0.59 -0.73 -0.58 0.41 0.87 -0.82 -0.11 113.55 113.18 1cck h SER 263 Ca 0.16 0.11 0.05 0.00 -1.23 0.00 0.00 61.79 60.88 1cck h SER 263 Cb 0.04 0.32 -0.05 0.00 -0.44 0.00 0.00 62.40 62.27 1cck h SER 263 CO -0.03 -0.29 0.31 0.11 -0.53 0.00 0.00 176.83 176.40 1cck h LYS 264 N -0.33 0.58 -0.01 2.24 1.57 -1.39 -2.52 116.57 116.71 1cck h LYS 264 Ca 0.09 -0.04 -0.19 0.00 -1.87 0.00 0.00 60.65 58.64 1cck h LYS 264 Cb 0.45 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 1cck h LYS 264 CO -0.28 0.39 -0.84 0.00 -0.57 0.00 0.00 179.45 178.15 1cck h ALA 265 N 1.30 0.55 -0.33 3.86 0.00 -1.05 -2.04 119.26 121.56 1cck h ALA 265 Ca 0.25 -0.70 -0.12 0.00 0.00 0.00 0.00 54.91 54.35 1cck h ALA 265 Cb 0.13 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1cck h ALA 265 CO -0.16 0.88 -0.25 0.35 0.00 0.00 0.00 179.25 180.08 1cck h PHE 266 N 0.13 0.88 0.03 0.00 3.57 -0.92 -0.56 116.94 120.07 1cck h PHE 266 Ca -0.04 -0.25 -0.00 0.00 3.53 0.00 0.00 57.97 61.21 1cck h PHE 266 Cb 1.46 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 40.00 1cck h PHE 266 CO 0.03 0.99 -0.02 1.49 -2.23 0.00 0.00 178.31 178.58 1cck h GLU 267 N 0.52 -0.04 -0.77 1.11 4.81 -1.48 -0.85 114.58 117.87 1cck h GLU 267 Ca 0.06 0.00 0.13 0.00 -0.13 0.00 0.00 59.36 59.43 1cck h GLU 267 Cb 0.81 0.01 -0.09 0.00 0.63 0.00 0.00 28.75 30.11 1cck h GLU 267 CO 0.07 0.03 0.35 -0.22 -0.73 0.00 0.00 179.01 178.50 1cck h LYS 268 N -0.10 0.51 -0.84 1.92 3.64 -1.32 -0.68 116.57 119.70 1cck h LYS 268 Ca -0.00 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.38 1cck h LYS 268 Cb 0.09 -0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 31.74 1cck h LYS 268 CO 0.01 0.34 0.54 1.25 -2.27 0.00 0.00 179.45 179.31 1cck h LEU 269 N 0.53 0.88 -0.77 5.20 5.85 -0.71 -0.66 115.31 125.63 1cck h LEU 269 Ca 0.41 -0.00 -0.09 0.00 0.84 0.00 0.00 57.88 59.04 1cck h LEU 269 Cb 0.57 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 1cck h LEU 269 CO -0.36 0.60 -0.44 -0.07 -0.34 0.00 0.00 178.44 177.84 1cck h LEU 270 N 1.04 0.00 -0.08 2.25 3.38 -0.18 -3.29 115.31 118.43 1cck h LEU 270 Ca 0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.31 1cck h LEU 270 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1cck h LEU 270 CO -0.12 0.44 -0.69 -0.62 0.09 0.00 0.00 178.44 177.53 1cck n GLU 271 N -3.51 0.11 -1.63 1.13 1.02 -0.36 -4.57 120.64 112.83 1cck n GLU 271 Ca -0.00 -0.08 -0.47 0.00 -0.02 0.00 0.00 57.16 56.59 1cck n GLU 271 Cb 0.56 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.45 1cck n GLU 271 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1cck n ASN 272 N -1.38 2.19 0.00 1.62 3.02 -0.28 -2.29 115.26 118.15 1cck n ASN 272 Ca 0.05 1.13 0.00 0.00 -0.03 0.00 0.00 54.58 55.73 1cck n ASN 272 Cb 0.34 -1.33 0.00 0.00 -0.61 0.00 0.00 39.78 38.18 1cck n ASN 272 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1cck n GLY 273 N 2.36 0.75 3.19 7.41 0.00 -1.26 -4.48 105.19 113.17 1cck n GLY 273 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 1cck n GLY 273 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1cck s ILE 274 N -2.68 2.06 -0.20 -0.61 1.01 -0.97 -4.36 121.20 115.45 1cck s ILE 274 Ca 0.00 -0.99 -0.16 0.00 0.00 0.00 0.00 60.65 59.49 1cck s ILE 274 Cb 0.00 -1.81 -0.04 0.00 0.01 0.00 0.00 42.46 40.63 1cck s ILE 274 CO 0.00 0.55 0.41 -0.89 0.00 0.00 0.00 174.94 175.02 1cck s THR 275 N 0.65 5.19 -0.31 2.92 2.01 0.74 -4.95 115.64 121.89 1cck s THR 275 Ca -0.11 0.74 -0.09 0.00 0.31 0.00 0.00 61.69 62.54 1cck s THR 275 Cb -0.16 -3.74 -0.00 0.00 0.01 0.00 0.00 72.50 68.60 1cck s THR 275 CO 0.02 0.24 0.13 -0.36 -0.69 0.00 0.00 174.62 173.96 1cck s PHE 276 N 1.34 3.17 0.56 4.92 0.08 -1.26 -1.10 117.98 125.69 1cck s PHE 276 Ca 0.20 -0.70 -0.20 0.00 0.12 0.00 0.00 56.93 56.35 1cck s PHE 276 Cb -0.15 -2.33 -0.04 0.00 -0.57 0.00 0.00 43.02 39.93 1cck s PHE 276 CO 0.08 -0.49 1.26 -2.14 -0.10 0.00 0.00 175.22 173.83 1cck s PRO 277 N 1.58 3.11 0.00 0.24 0.02 -1.26 -4.91 135.00 133.78 1cck s PRO 277 Ca 0.04 1.98 0.20 0.00 0.02 0.00 0.00 61.00 63.24 1cck s PRO 277 Cb -0.17 -2.11 1.17 0.00 0.02 0.00 0.00 34.50 33.41 1cck s PRO 277 CO 0.05 -1.14 1.70 1.17 -0.33 0.00 0.00 177.00 178.46 1cck n LYS 278 N -1.25 0.92 0.15 5.54 4.81 -1.26 -1.15 118.16 125.91 1cck n LYS 278 Ca 0.12 0.00 0.13 0.00 -0.87 0.00 0.00 58.31 57.69 1cck n LYS 278 Cb 0.48 -1.33 0.38 0.00 0.02 0.00 0.00 35.03 34.58 1cck n LYS 278 CO 0.00 0.00 0.00 0.38 1.17 0.00 0.00 177.40 178.95 1cck h ASP 279 N 0.00 0.00 -3.15 3.14 3.04 -2.03 -3.47 116.42 113.95 1cck h ASP 279 Ca 0.00 0.00 -0.58 0.00 -3.24 0.00 0.00 57.03 53.21 1cck h ASP 279 Cb 0.00 0.00 0.13 0.00 -1.04 0.00 0.00 39.33 38.42 1cck h ASP 279 CO 0.00 0.00 0.24 0.00 -2.04 0.00 0.00 179.24 177.44 1cck n ALA 280 N -1.87 0.43 -1.64 4.15 0.00 -0.30 -4.96 120.51 116.32 1cck n ALA 280 Ca 0.04 0.24 -0.41 0.00 0.00 0.00 0.00 53.44 53.32 1cck n ALA 280 Cb 0.42 -2.12 0.02 0.00 0.00 0.00 0.00 19.45 17.76 1cck n ALA 280 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1cck n PRO 281 N 0.13 1.47 -0.97 0.00 -0.04 -1.26 -4.99 135.00 129.34 1cck n PRO 281 Ca 0.09 0.53 -0.34 0.00 -0.04 0.00 0.00 63.50 63.73 1cck n PRO 281 Cb 0.39 -2.18 0.09 0.00 -0.04 0.00 0.00 33.50 31.76 1cck n PRO 281 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1cck n SER 282 N 0.19 -2.36 -4.65 3.54 7.64 -1.26 -4.92 113.62 111.79 1cck n SER 282 Ca 0.09 0.40 -0.45 0.00 1.01 0.00 0.00 58.87 59.91 1cck n SER 282 Cb 0.41 -1.14 -0.03 0.00 -1.01 0.00 0.00 64.21 62.43 1cck n SER 282 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1cck n PRO 283 N -0.80 1.88 -2.62 1.43 -0.04 -1.26 -4.93 135.00 128.66 1cck n PRO 283 Ca 0.07 0.67 -0.42 0.00 -0.04 0.00 0.00 63.50 63.77 1cck n PRO 283 Cb 0.53 -2.29 -0.03 0.00 -0.04 0.00 0.00 33.50 31.67 1cck n PRO 283 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1cck s PHE 284 N -0.11 3.42 -0.47 0.54 0.08 0.70 -4.79 117.98 117.34 1cck s PHE 284 Ca 0.69 1.48 -0.17 0.00 0.12 0.00 0.00 56.93 59.05 1cck s PHE 284 Cb -0.68 -3.26 0.06 0.00 -0.57 0.00 0.00 43.02 38.56 1cck s PHE 284 CO 0.50 -0.56 0.48 0.42 -0.10 0.00 0.00 175.22 175.96 1cck s ILE 285 N 2.04 5.09 0.22 0.64 -1.09 -1.26 -1.42 121.20 125.41 1cck s ILE 285 Ca 0.51 -0.72 -0.28 0.00 -2.23 0.00 0.00 60.65 57.93 1cck s ILE 285 Cb -0.20 -4.16 -0.09 0.00 -1.58 0.00 0.00 42.46 36.43 1cck s ILE 285 CO 0.19 -0.61 0.87 -0.36 -1.23 0.00 0.00 174.94 173.81 1cck s PHE 286 N 2.07 3.94 0.52 3.97 0.08 -1.26 -5.05 117.98 122.25 1cck s PHE 286 Ca 0.09 1.79 -0.20 0.00 0.12 0.00 0.00 56.93 58.74 1cck s PHE 286 Cb -0.21 -2.89 -0.07 0.00 -0.57 0.00 0.00 43.02 39.29 1cck s PHE 286 CO 0.10 0.46 1.10 0.15 -0.10 0.00 0.00 175.22 176.93 1cck s LYS 287 N -1.24 3.52 0.51 0.44 1.02 -1.26 -5.03 119.74 117.71 1cck s LYS 287 Ca 0.40 1.52 -0.06 0.00 0.02 0.00 0.00 55.97 57.85 1cck s LYS 287 Cb -0.24 -2.04 -0.04 0.00 -0.52 0.00 0.00 37.83 34.99 1cck s LYS 287 CO 0.29 -0.70 0.84 0.95 -0.92 0.00 0.00 175.35 175.81 1cck s THR 288 N -1.84 4.85 0.32 2.17 -4.23 -1.26 -4.91 115.64 110.73 1cck s THR 288 Ca 0.71 0.34 0.08 0.00 -1.18 0.00 0.00 61.69 61.64 1cck s THR 288 Cb -0.21 -3.86 0.34 0.00 1.34 0.00 0.00 72.50 70.10 1cck s THR 288 CO 0.24 -0.91 1.63 -0.07 -0.54 0.00 0.00 174.62 174.98 1cck h LEU 289 N 0.10 0.12 -0.64 4.79 3.38 -1.97 -0.68 115.31 120.41 1cck h LEU 289 Ca -0.46 0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.72 1cck h LEU 289 Cb 1.20 0.26 -0.03 0.00 0.09 0.00 0.00 40.66 42.18 1cck h LEU 289 CO 0.62 -0.21 0.38 -0.08 0.09 0.00 0.00 178.44 179.24 1cck h GLU 290 N 0.19 0.88 -0.18 1.13 4.81 -1.93 0.34 114.58 119.81 1cck h GLU 290 Ca 0.65 -0.08 -0.06 0.00 -0.13 0.00 0.00 59.36 59.73 1cck h GLU 290 Cb 1.43 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.62 1cck h GLU 290 CO -0.69 0.63 -0.17 0.93 -0.73 0.00 0.00 179.01 178.98 1cck h GLU 291 N 0.87 0.29 0.00 1.92 5.08 -1.51 -2.89 114.58 118.35 1cck h GLU 291 Ca 0.23 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1cck h GLU 291 Cb -0.01 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.20 1cck h GLU 291 CO -0.04 0.46 -0.43 1.04 -1.00 0.00 0.00 179.01 179.04 1cck n GLN 292 N -4.22 0.03 -1.75 2.33 6.02 0.06 -4.96 117.38 114.88 1cck n GLN 292 Ca -0.01 0.01 -0.03 0.00 -0.01 0.00 0.00 57.00 56.96 1cck n GLN 292 Cb 0.31 -1.52 -0.00 0.00 1.02 0.00 0.00 30.24 30.05 1cck n GLN 292 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1cck n GLY 293 N 1.49 0.36 0.40 1.08 0.00 0.97 -5.08 105.19 104.41 1cck n GLY 293 Ca 0.06 -0.82 0.05 0.00 0.00 0.00 0.00 46.02 45.30 1cck n GLY 293 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36