#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1don s PRO 2 N 0.00 1.67 -0.36 3.69 0.05 -1.26 -4.78 135.00 134.01 1don s PRO 2 Ca 0.00 0.18 -0.04 0.00 0.05 0.00 0.00 61.00 61.19 1don s PRO 2 Cb 0.00 -4.87 -0.00 0.00 0.05 0.00 0.00 34.50 29.68 1don s PRO 2 CO 0.00 -4.49 2.94 -0.40 0.05 0.00 0.00 177.00 175.10 1don n ASP 3 N 18.14 6.22 -2.68 6.66 5.68 -1.26 -4.40 116.55 144.92 1don n ASP 3 Ca 0.45 -3.06 -0.04 0.00 -0.50 0.00 0.00 54.79 51.64 1don n ASP 3 Cb 0.44 -1.27 0.06 0.00 -1.14 0.00 0.00 41.12 39.21 1don n ASP 3 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1don n ALA 4 N 1.19 -3.40 0.59 2.12 0.00 -1.26 -5.00 120.51 114.74 1don n ALA 4 Ca 0.47 -0.29 0.11 0.00 0.00 0.00 0.00 53.44 53.73 1don n ALA 4 Cb 0.62 -3.03 -0.10 0.00 0.00 0.00 0.00 19.45 16.94 1don n ALA 4 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1don n ILE 5 N 1.98 0.03 -1.99 0.00 5.41 -1.26 -4.42 119.36 119.12 1don n ILE 5 Ca 0.06 -0.21 -0.40 0.00 1.00 0.00 0.00 62.75 63.20 1don n ILE 5 Cb 0.67 0.51 -0.01 0.00 -0.71 0.00 0.00 39.64 40.10 1don n ILE 5 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 176.55 176.09 1don n ASN 6 N -1.84 7.73 -4.62 4.38 6.94 -1.26 -4.93 115.26 121.66 1don n ASN 6 Ca 0.01 -3.10 -0.34 0.00 -0.02 0.00 0.00 54.58 51.13 1don n ASN 6 Cb 0.43 -1.39 -0.10 0.00 -2.36 0.00 0.00 39.78 36.36 1don n ASN 6 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1don s ALA 7 N -0.74 3.13 -0.57 -2.53 0.00 -1.26 -5.03 121.76 114.76 1don s ALA 7 Ca 0.53 -0.84 -0.26 0.00 0.00 0.00 0.00 51.96 51.39 1don s ALA 7 Cb 0.17 -1.38 -0.04 0.00 0.00 0.00 0.00 23.12 21.88 1don s ALA 7 CO -0.08 0.55 2.04 -1.25 0.00 0.00 0.00 175.76 177.01 1don s PRO 8 N -0.73 2.46 -0.22 0.00 0.04 -1.26 -4.91 135.00 130.37 1don s PRO 8 Ca 0.11 0.87 -0.23 0.00 0.04 0.00 0.00 61.00 61.80 1don s PRO 8 Cb -0.11 -4.45 -0.01 0.00 0.04 0.00 0.00 34.50 29.96 1don s PRO 8 CO 0.02 -2.91 0.75 0.54 0.04 0.00 0.00 177.00 175.44 1don s VAL 9 N 10.09 4.92 -0.48 -0.36 0.11 -1.26 -5.00 120.40 128.42 1don s VAL 9 Ca 0.77 1.41 -0.28 0.00 -2.93 0.00 0.00 61.98 60.95 1don s VAL 9 Cb -0.14 -4.05 0.03 0.00 -1.53 0.00 0.00 36.38 30.69 1don s VAL 9 CO 0.22 0.01 1.11 -0.89 -3.33 0.00 0.00 175.10 172.23 1don s THR 10 N 2.39 4.23 0.35 5.04 2.01 -1.26 -4.99 115.64 123.42 1don s THR 10 Ca 0.33 1.14 0.04 0.00 0.31 0.00 0.00 61.69 63.50 1don s THR 10 Cb -0.16 -4.59 -0.01 0.00 0.01 0.00 0.00 72.50 67.75 1don s THR 10 CO 0.09 -1.01 0.13 0.00 -0.69 0.00 0.00 174.62 173.15 1don n TYR 13 N -1.11 0.00 -3.94 0.00 4.01 -1.26 -4.92 117.16 109.94 1don n TYR 13 Ca -0.18 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.56 1don n TYR 13 Cb 0.57 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.60 1don n TYR 13 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1don n ASN 14 N -1.67 1.89 -3.66 7.72 3.02 -1.26 -5.15 115.26 116.15 1don n ASN 14 Ca 0.00 -1.05 -0.07 0.00 -0.03 0.00 0.00 54.58 53.43 1don n ASN 14 Cb 0.08 0.01 -0.08 0.00 -0.61 0.00 0.00 39.78 39.18 1don n ASN 14 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1don s PHE 15 N -0.90 -0.91 -0.58 3.10 0.40 -1.26 -4.70 117.98 113.12 1don s PHE 15 Ca 0.00 1.70 -0.32 0.00 -0.60 0.00 0.00 56.93 57.71 1don s PHE 15 Cb -0.00 0.42 -0.14 0.00 0.51 0.00 0.00 43.02 43.81 1don s PHE 15 CO 0.00 -0.52 2.39 -2.37 0.70 0.00 0.00 175.22 175.42 1don n THR 16 N 5.36 0.05 0.08 0.64 5.66 -0.58 -4.73 114.28 120.76 1don n THR 16 Ca -0.10 -0.31 0.10 0.00 -3.05 0.00 0.00 64.05 60.70 1don n THR 16 Cb 0.50 -1.53 0.28 0.00 -1.55 0.00 0.00 70.33 68.02 1don n THR 16 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 1don n ASN 17 N 11.44 3.32 -4.77 1.09 5.15 -1.26 -4.58 115.26 125.65 1don n ASN 17 Ca 0.48 -1.99 -0.36 0.00 -0.60 0.00 0.00 54.58 52.12 1don n ASN 17 Cb 0.23 -0.39 -0.07 0.00 -0.53 0.00 0.00 39.78 39.03 1don n ASN 17 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1don s ARG 18 N -1.23 4.00 -0.81 1.20 0.52 -1.26 -4.96 118.95 116.41 1don s ARG 18 Ca 0.41 -0.08 -0.22 0.00 -0.52 0.00 0.00 55.73 55.32 1don s ARG 18 Cb 0.22 -3.35 -0.19 0.00 0.52 0.00 0.00 34.95 32.15 1don s ARG 18 CO 0.29 0.43 2.38 1.63 0.02 0.00 0.00 175.30 180.05 1don n LYS 19 N 3.05 0.44 -2.49 3.54 5.02 -1.26 -4.84 118.16 121.61 1don n LYS 19 Ca -0.16 -0.38 -0.43 0.00 -2.02 0.00 0.00 58.31 55.32 1don n LYS 19 Cb 0.53 -2.69 -0.02 0.00 -0.02 0.00 0.00 35.03 32.82 1don n LYS 19 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1don s ILE 20 N 9.80 4.36 0.05 -0.18 1.01 -1.26 -4.94 121.20 130.04 1don s ILE 20 Ca 1.09 1.62 -0.38 0.00 0.00 0.00 0.00 60.65 62.98 1don s ILE 20 Cb -0.45 -4.14 -0.17 0.00 0.01 0.00 0.00 42.46 37.70 1don s ILE 20 CO 0.29 -0.25 1.31 -0.24 0.00 0.00 0.00 174.94 176.05 1don n SER 21 N 6.79 1.35 0.32 3.58 2.88 -1.26 -4.76 113.62 122.52 1don n SER 21 Ca 0.13 1.13 0.15 0.00 -1.33 0.00 0.00 58.87 58.95 1don n SER 21 Cb 0.46 -1.13 0.77 0.00 -0.75 0.00 0.00 64.21 63.55 1don n SER 21 CO 0.00 0.00 0.00 1.62 -1.23 0.00 0.00 175.04 175.43 1don h VAL 22 N 3.36 0.02 -0.15 2.46 3.04 -1.93 0.75 116.25 123.79 1don h VAL 22 Ca -0.48 0.00 -0.04 0.00 -1.01 0.00 0.00 66.70 65.17 1don h VAL 22 Cb 1.35 0.63 -0.00 0.00 -2.01 0.00 0.00 31.29 31.26 1don h VAL 22 CO 0.76 0.00 -0.07 -0.61 -1.01 0.00 0.00 177.57 176.64 1don h GLN 23 N 0.00 0.32 -0.08 4.17 4.15 -2.02 -2.83 115.11 118.81 1don h GLN 23 Ca 0.01 -0.14 -0.03 0.00 0.77 0.00 0.00 58.65 59.27 1don h GLN 23 Cb 0.77 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.44 1don h GLN 23 CO -0.00 0.63 -0.07 0.00 -1.93 0.00 0.00 178.83 177.47 1don h ARG 24 N -0.01 0.12 -6.08 1.69 2.47 -1.18 -3.39 114.38 108.00 1don h ARG 24 Ca 0.03 -0.02 -0.51 0.00 -1.26 0.00 0.00 59.98 58.23 1don h ARG 24 Cb 0.53 -0.02 -0.05 0.00 -1.65 0.00 0.00 29.97 28.79 1don h ARG 24 CO 0.02 0.20 1.28 -0.51 0.56 0.00 0.00 179.97 181.52 1don s LEU 25 N -8.89 3.26 0.42 3.04 1.43 -1.07 -0.92 118.68 115.95 1don s LEU 25 Ca -0.05 0.14 0.22 0.00 -1.03 0.00 0.00 54.13 53.41 1don s LEU 25 Cb 0.16 -2.55 0.32 0.00 0.03 0.00 0.00 46.19 44.16 1don s LEU 25 CO 0.70 -2.23 1.59 0.00 0.23 0.00 0.00 176.35 176.65 1don h ALA 26 N 13.65 0.95 -2.18 4.21 0.00 -0.27 -3.47 119.26 132.15 1don h ALA 26 Ca -0.27 -0.07 0.30 0.00 0.00 0.00 0.00 54.91 54.88 1don h ALA 26 Cb 1.13 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.85 1don h ALA 26 CO 1.23 0.09 0.83 -1.12 0.00 0.00 0.00 179.25 180.29 1don s SER 27 N -6.24 0.00 -0.18 0.00 0.01 -0.21 -4.96 113.70 102.13 1don s SER 27 Ca 0.06 -0.30 -0.09 0.00 1.31 0.00 0.00 55.95 56.93 1don s SER 27 Cb 0.05 0.22 0.07 0.00 0.21 0.00 0.00 66.02 66.58 1don s SER 27 CO 0.68 -0.45 0.44 -0.47 0.41 0.00 0.00 173.24 173.85 1don s TYR 28 N -2.08 -0.68 -0.64 2.43 5.04 -1.25 -0.14 117.35 120.03 1don s TYR 28 Ca 0.27 1.41 0.05 0.00 -2.44 0.00 0.00 57.07 56.36 1don s TYR 28 Cb -0.01 0.31 0.19 0.00 0.35 0.00 0.00 41.96 42.80 1don s TYR 28 CO 0.00 -0.39 0.53 -2.13 -1.34 0.00 0.00 175.55 172.23 1don n ARG 29 N 4.48 1.70 -1.29 4.97 0.63 -0.70 -4.85 116.66 121.60 1don n ARG 29 Ca -0.20 -4.29 -0.60 0.00 -0.92 0.00 0.00 57.85 51.83 1don n ARG 29 Cb 0.54 -2.15 -0.12 0.00 0.45 0.00 0.00 32.46 31.19 1don n ARG 29 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 1don n ARG 30 N 1.83 0.05 -2.01 -0.14 0.63 -1.26 -3.05 116.66 112.71 1don n ARG 30 Ca 0.23 0.01 -0.32 0.00 -0.92 0.00 0.00 57.85 56.85 1don n ARG 30 Cb 0.39 -1.54 0.01 0.00 0.45 0.00 0.00 32.46 31.77 1don n ARG 30 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1don s ILE 31 N 5.85 3.87 0.00 5.15 1.01 0.17 -4.89 121.20 132.36 1don s ILE 31 Ca 1.18 0.85 0.00 0.00 0.00 0.00 0.00 60.65 62.69 1don s ILE 31 Cb -1.47 -3.40 0.00 0.00 0.01 0.00 0.00 42.46 37.60 1don s ILE 31 CO 0.66 -0.56 0.00 0.35 0.00 0.00 0.00 174.94 175.40 1don n THR 32 N -2.14 0.00 -1.83 2.92 -2.24 -1.26 -2.72 114.28 107.01 1don n THR 32 Ca 0.08 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.48 1don n THR 32 Cb 0.53 0.00 0.03 0.00 -2.10 0.00 0.00 70.33 68.79 1don n THR 32 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1don s SER 33 N 0.00 5.56 0.30 3.42 0.15 -1.26 -4.83 113.70 117.04 1don s SER 33 Ca 0.00 2.78 0.22 0.00 0.70 0.00 0.00 55.95 59.65 1don s SER 33 Cb 0.00 -2.64 1.10 0.00 -1.71 0.00 0.00 66.02 62.77 1don s SER 33 CO 0.00 -1.37 1.68 -1.54 1.20 0.00 0.00 173.24 173.20 1don n SER 34 N -0.68 0.60 0.07 5.45 3.41 -1.26 -1.46 113.62 119.76 1don n SER 34 Ca 0.08 0.73 0.10 0.00 -0.26 0.00 0.00 58.87 59.52 1don n SER 34 Cb 0.44 -0.83 -0.04 0.00 -0.26 0.00 0.00 64.21 63.52 1don n SER 34 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1don n LYS 35 N -2.25 0.62 -2.38 4.33 4.01 -1.26 -4.89 118.16 116.33 1don n LYS 35 Ca -0.00 0.07 -0.41 0.00 -0.51 0.00 0.00 58.31 57.45 1don n LYS 35 Cb 0.10 -1.76 -0.03 0.00 -0.51 0.00 0.00 35.03 32.83 1don n LYS 35 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1don h PRO 37 N 5.76 0.00 -2.88 0.00 0.13 -1.90 -3.44 132.00 129.67 1don h PRO 37 Ca -0.44 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.57 1don h PRO 37 Cb 1.21 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.12 1don h PRO 37 CO 0.77 0.00 -0.25 0.15 -0.23 0.00 0.00 178.00 178.44 1don s LYS 38 N -3.79 0.59 0.96 0.86 1.02 -1.26 -5.16 119.74 112.95 1don s LYS 38 Ca -0.01 0.17 -0.16 0.00 0.02 0.00 0.00 55.97 55.99 1don s LYS 38 Cb 0.10 0.27 0.19 0.00 -0.52 0.00 0.00 37.83 37.88 1don s LYS 38 CO 0.47 -0.13 1.30 -1.21 -0.92 0.00 0.00 175.35 174.86 1don s GLU 39 N -0.61 0.65 -0.03 1.68 2.02 -1.26 -4.66 118.70 116.49 1don s GLU 39 Ca -0.07 -0.35 -0.29 0.00 0.02 0.00 0.00 54.97 54.28 1don s GLU 39 Cb -0.04 -1.84 0.09 0.00 0.10 0.00 0.00 34.13 32.45 1don s GLU 39 CO 0.03 -2.42 1.30 0.00 0.02 0.00 0.00 175.26 174.19 1don n ALA 40 N -3.78 -3.67 -3.92 5.21 0.00 -1.10 -4.91 120.51 108.33 1don n ALA 40 Ca 0.14 -0.80 -0.32 0.00 0.00 0.00 0.00 53.44 52.47 1don n ALA 40 Cb 0.60 0.13 -0.16 0.00 0.00 0.00 0.00 19.45 20.02 1don n ALA 40 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1don s VAL 41 N -2.01 1.95 -1.30 0.00 1.01 -0.50 -0.66 120.40 118.89 1don s VAL 41 Ca 0.31 -0.89 -0.14 0.00 0.00 0.00 0.00 61.98 61.26 1don s VAL 41 Cb -0.01 -1.75 0.12 0.00 0.00 0.00 0.00 36.38 34.74 1don s VAL 41 CO -0.01 0.52 1.78 -0.38 0.00 0.00 0.00 175.10 177.01 1don n ILE 42 N 4.43 4.06 -1.81 2.22 2.08 -1.17 -0.79 119.36 128.38 1don n ILE 42 Ca -0.20 -4.17 -0.20 0.00 0.56 0.00 0.00 62.75 58.74 1don n ILE 42 Cb 0.51 -2.44 -0.07 0.00 -0.75 0.00 0.00 39.64 36.89 1don n ILE 42 CO 0.00 0.00 0.00 -0.36 0.56 0.00 0.00 176.55 176.75 1don s PHE 43 N 2.15 1.50 -0.58 1.39 0.08 -0.65 -1.72 117.98 120.15 1don s PHE 43 Ca 0.45 1.40 -0.26 0.00 0.12 0.00 0.00 56.93 58.64 1don s PHE 43 Cb 0.05 -3.69 -0.05 0.00 -0.57 0.00 0.00 43.02 38.77 1don s PHE 43 CO 0.00 -1.34 2.16 0.15 -0.10 0.00 0.00 175.22 176.09 1don s LYS 44 N 7.81 2.31 0.00 0.44 1.02 0.80 -2.10 119.74 130.01 1don s LYS 44 Ca 0.79 0.93 0.00 0.00 0.02 0.00 0.00 55.97 57.71 1don s LYS 44 Cb -0.07 -4.54 0.00 0.00 -0.52 0.00 0.00 37.83 32.70 1don s LYS 44 CO 0.09 -3.13 0.00 0.25 -0.92 0.00 0.00 175.35 171.63 1don n THR 45 N 7.71 0.00 -0.00 2.17 -2.24 -1.19 0.11 114.28 120.84 1don n THR 45 Ca 0.31 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 62.04 1don n THR 45 Cb 0.53 0.00 -0.12 0.00 -2.10 0.00 0.00 70.33 68.64 1don n THR 45 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 1don n ILE 46 N -0.65 1.41 0.39 2.28 -0.00 -0.09 -3.13 119.36 119.56 1don n ILE 46 Ca 0.00 -0.75 0.04 0.00 -0.00 0.00 0.00 62.75 62.04 1don n ILE 46 Cb 0.00 -0.88 0.18 0.00 -0.00 0.00 0.00 39.64 38.93 1don n ILE 46 CO 0.00 0.00 0.00 0.55 -0.00 0.00 0.00 176.55 177.10 1don n VAL 47 N -2.96 1.00 -1.23 7.28 3.14 -1.26 -4.83 118.33 119.47 1don n VAL 47 Ca -0.14 -0.58 -0.08 0.00 -2.96 0.00 0.00 64.34 60.58 1don n VAL 47 Cb 0.96 -0.19 -0.03 0.00 -1.06 0.00 0.00 33.84 33.52 1don n VAL 47 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1don n ALA 48 N 0.36 -0.12 -2.56 1.55 0.00 -1.23 -4.91 120.51 113.60 1don n ALA 48 Ca 0.12 0.13 -0.42 0.00 0.00 0.00 0.00 53.44 53.27 1don n ALA 48 Cb 0.56 -1.13 -0.01 0.00 0.00 0.00 0.00 19.45 18.87 1don n ALA 48 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1don s LYS 49 N -2.45 3.83 -0.22 0.00 2.20 -1.26 -4.75 119.74 117.09 1don s LYS 49 Ca 0.00 -1.72 -0.33 0.00 -0.36 0.00 0.00 55.97 53.56 1don s LYS 49 Cb 0.00 -5.48 -0.10 0.00 -1.51 0.00 0.00 37.83 30.74 1don s LYS 49 CO 0.00 -2.29 2.09 0.39 -0.36 0.00 0.00 175.35 175.18 1don n GLU 50 N 8.54 1.70 -3.76 4.03 1.02 -1.26 -3.19 120.64 127.72 1don n GLU 50 Ca 0.44 0.53 -0.38 0.00 -0.02 0.00 0.00 57.16 57.74 1don n GLU 50 Cb 0.47 -2.73 -0.12 0.00 -0.02 0.00 0.00 31.44 29.04 1don n GLU 50 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1don s ILE 51 N 6.43 3.71 0.08 -3.67 1.01 -0.89 -4.85 121.20 123.02 1don s ILE 51 Ca 1.01 -1.19 -0.31 0.00 0.00 0.00 0.00 60.65 60.16 1don s ILE 51 Cb -0.66 -3.13 -0.09 0.00 0.01 0.00 0.00 42.46 38.59 1don s ILE 51 CO 0.46 -0.20 1.71 0.00 0.00 0.00 0.00 174.94 176.92 1don s ALA 53 N 2.74 1.43 -0.20 0.00 0.00 0.03 -1.52 121.76 124.25 1don s ALA 53 Ca 0.76 -0.86 -0.29 0.00 0.00 0.00 0.00 51.96 51.58 1don s ALA 53 Cb -0.42 -0.29 -0.04 0.00 0.00 0.00 0.00 23.12 22.37 1don s ALA 53 CO 0.34 0.32 1.76 0.34 0.00 0.00 0.00 175.76 178.51 1don s ASP 54 N -0.87 6.22 0.44 0.00 2.15 -1.26 -1.40 116.67 121.95 1don s ASP 54 Ca 0.05 1.76 0.30 0.00 0.43 0.00 0.00 52.55 55.10 1don s ASP 54 Cb -0.08 -2.53 1.51 0.00 -0.30 0.00 0.00 42.92 41.52 1don s ASP 54 CO 0.01 -1.36 1.92 1.55 -0.17 0.00 0.00 175.17 177.11 1don h PRO 55 N 11.47 0.00 -0.70 4.34 0.13 -1.91 -1.47 132.00 143.87 1don h PRO 55 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1don h PRO 55 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1don h PRO 55 CO 0.99 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 180.39 1don n LYS 56 N -2.61 2.79 -2.41 0.86 4.01 -1.26 -4.64 118.16 114.90 1don n LYS 56 Ca -0.01 -1.58 -0.24 0.00 -0.51 0.00 0.00 58.31 55.97 1don n LYS 56 Cb 0.13 -1.78 0.07 0.00 -0.51 0.00 0.00 35.03 32.95 1don n LYS 56 CO 0.00 0.00 0.00 -0.65 -1.11 0.00 0.00 177.40 175.64 1don s GLN 57 N -1.83 2.11 0.08 1.97 -1.52 -0.55 -5.00 119.66 114.91 1don s GLN 57 Ca 0.28 -0.62 0.22 0.00 -1.95 0.00 0.00 55.36 53.30 1don s GLN 57 Cb 0.20 -2.29 -0.09 0.00 -0.22 0.00 0.00 33.01 30.61 1don s GLN 57 CO 0.10 -1.18 0.87 1.17 -0.25 0.00 0.00 175.29 176.00 1don n LYS 58 N -2.76 0.49 -0.06 2.91 0.00 -1.26 -3.61 118.16 113.87 1don n LYS 58 Ca 0.10 -0.02 -0.07 0.00 0.00 0.00 0.00 58.31 58.32 1don n LYS 58 Cb 0.60 -1.65 -0.15 0.00 0.00 0.00 0.00 35.03 33.84 1don n LYS 58 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.40 174.73 1don n TRP 59 N -2.27 0.35 0.33 5.64 4.27 -1.26 -3.96 117.44 120.54 1don n TRP 59 Ca -0.00 0.12 0.14 0.00 -3.89 0.00 0.00 57.50 53.87 1don n TRP 59 Cb 0.51 -1.02 0.43 0.00 -1.36 0.00 0.00 31.31 29.87 1don n TRP 59 CO 0.00 0.00 0.00 0.28 -2.29 0.00 0.00 177.69 175.68 1don h VAL 60 N 0.00 0.00 0.00 -1.67 2.07 -1.84 -1.88 116.25 112.93 1don h VAL 60 Ca -0.40 -0.64 -0.13 0.00 0.82 0.00 0.00 66.70 66.35 1don h VAL 60 Cb 2.03 1.60 -0.02 0.00 -1.52 0.00 0.00 31.29 33.38 1don h VAL 60 CO 0.04 0.00 -0.62 1.56 0.02 0.00 0.00 177.57 178.57 1don h GLN 61 N 0.00 0.00 0.04 1.57 4.20 -1.69 -0.53 115.11 118.71 1don h GLN 61 Ca 0.00 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.55 1don h GLN 61 Cb 0.70 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.47 1don h GLN 61 CO 0.00 0.62 -0.86 -0.44 -0.67 0.00 0.00 178.83 177.48 1don h ASP 62 N 0.00 0.14 0.76 1.46 5.19 -1.64 -3.24 116.42 119.10 1don h ASP 62 Ca -0.01 -0.80 -0.04 0.00 -0.62 0.00 0.00 57.03 55.57 1don h ASP 62 Cb 1.10 -0.05 0.01 0.00 0.18 0.00 0.00 39.33 40.57 1don h ASP 62 CO 0.08 1.36 -0.37 0.28 -3.12 0.00 0.00 179.24 177.47 1don h SER 63 N -0.76 -0.87 -0.02 6.45 0.02 -1.39 -1.86 113.55 115.13 1don h SER 63 Ca -0.21 0.03 0.01 0.00 -0.84 0.00 0.00 61.79 60.78 1don h SER 63 Cb 1.36 0.22 -0.00 0.00 0.14 0.00 0.00 62.40 64.12 1don h SER 63 CO -0.04 -0.61 0.36 0.00 -1.14 0.00 0.00 176.83 175.40 1don h MET 64 N -1.04 0.00 0.20 3.45 -0.00 -1.27 0.77 114.93 117.04 1don h MET 64 Ca -0.10 0.00 -0.31 0.00 -0.00 0.00 0.00 59.70 59.28 1don h MET 64 Cb 0.79 0.00 0.03 0.00 -0.00 0.00 0.00 31.60 32.42 1don h MET 64 CO 0.17 0.00 -1.38 0.22 -0.00 0.00 0.00 176.91 175.92 1don h ASP 65 N 0.00 0.72 0.48 -0.10 3.58 -1.37 0.79 116.42 120.51 1don h ASP 65 Ca 0.01 -0.76 -0.12 0.00 0.42 0.00 0.00 57.03 56.58 1don h ASP 65 Cb 0.73 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.53 1don h ASP 65 CO -0.00 1.59 -0.55 1.12 -2.88 0.00 0.00 179.24 178.52 1don h HIS 66 N 0.14 0.10 -0.04 0.28 2.07 -0.52 -1.12 115.15 116.06 1don h HIS 66 Ca -0.21 -0.03 -0.17 0.00 -2.85 0.00 0.00 60.37 57.10 1don h HIS 66 Cb 2.08 -0.02 -0.01 0.00 2.57 0.00 0.00 27.41 32.03 1don h HIS 66 CO 0.11 0.61 -0.74 -0.07 -3.07 0.00 0.00 177.93 174.77 1don h LEU 67 N 0.06 0.29 -0.57 6.12 3.38 -1.38 0.13 115.31 123.33 1don h LEU 67 Ca -0.00 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1don h LEU 67 Cb 0.99 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.65 1don h LEU 67 CO 0.08 0.93 0.00 -0.67 0.09 0.00 0.00 178.44 178.86 1don n ASP 68 N -3.77 0.38 -2.29 -0.43 -0.08 0.27 -2.45 116.55 108.17 1don n ASP 68 Ca -0.03 0.62 -0.01 0.00 -1.51 0.00 0.00 54.79 53.86 1don n ASP 68 Cb 0.71 -0.69 0.05 0.00 2.34 0.00 0.00 41.12 43.53 1don n ASP 68 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 1don n LYS 69 N -1.95 1.40 0.00 -0.67 2.85 -0.51 -4.79 118.16 114.49 1don n LYS 69 Ca 0.01 -3.13 0.12 0.00 -1.05 0.00 0.00 58.31 54.27 1don n LYS 69 Cb 0.14 -1.21 0.24 0.00 -0.65 0.00 0.00 35.03 33.55 1don n LYS 69 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1don n GLN 70 N -0.32 1.56 -2.71 -1.58 -0.00 0.35 -4.37 117.38 110.31 1don n GLN 70 Ca 0.11 -1.14 -0.05 0.00 -0.00 0.00 0.00 57.00 55.91 1don n GLN 70 Cb 0.91 -1.48 0.08 0.00 -0.00 0.00 0.00 30.24 29.76 1don n GLN 70 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.06 174.69 1don n THR 71 N 0.28 0.54 -1.73 -0.39 5.66 -1.26 -5.08 114.28 112.29 1don n THR 71 Ca 0.14 -2.13 0.00 0.00 -3.05 0.00 0.00 64.05 59.01 1don n THR 71 Cb 0.45 0.96 0.00 0.00 -1.55 0.00 0.00 70.33 70.19 1don n THR 71 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1don n GLN 72 N -0.64 0.45 -4.12 1.09 6.02 -1.26 -4.53 117.38 114.39 1don n GLN 72 Ca -0.01 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.58 1don n GLN 72 Cb 0.84 0.00 -0.01 0.00 1.02 0.00 0.00 30.24 32.08 1don n GLN 72 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 177.06 173.68 1don n THR 73 N -1.54 -2.03 -0.05 5.09 5.66 -1.26 -4.91 114.28 115.24 1don n THR 73 Ca 0.00 -0.53 -0.02 0.00 -3.05 0.00 0.00 64.05 60.45 1don n THR 73 Cb 0.00 -1.77 0.02 0.00 -1.55 0.00 0.00 70.33 67.03 1don n THR 73 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21 1don n PRO 74 N -4.76 -2.08 -1.79 1.09 -0.04 -1.26 -4.84 135.00 121.32 1don n PRO 74 Ca -0.16 -0.08 0.00 0.00 -0.04 0.00 0.00 63.50 63.21 1don n PRO 74 Cb 0.57 -0.10 0.00 0.00 -0.04 0.00 0.00 33.50 33.92 1don n PRO 74 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1don n LYS 75 N -2.17 -4.70 0.00 0.54 4.81 -1.26 -5.27 118.16 110.10 1don n LYS 75 Ca 0.01 3.40 0.12 0.00 -0.87 0.00 0.00 58.31 60.97 1don n LYS 75 Cb 0.03 -3.60 0.15 0.00 0.02 0.00 0.00 35.03 31.63 1don n LYS 75 CO 0.00 0.00 0.00 -2.37 1.17 0.00 0.00 177.40 176.20