#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 1.56 -0.87 -1.09 0.02 -1.26 -4.85 135.00 128.51 1don s PRO 2 Ca 0.00 0.23 -0.25 0.00 0.02 0.00 0.00 61.00 61.00 1don s PRO 2 Cb 0.00 -4.85 -0.09 0.00 0.02 0.00 0.00 34.50 29.59 1don s PRO 2 CO 0.00 -4.63 2.12 -0.51 -0.33 0.00 0.00 177.00 173.65 1don s ASP 3 N 10.19 4.63 -1.03 2.53 1.01 -1.26 -3.23 116.67 129.50 1don s ASP 3 Ca 0.89 -0.44 -0.00 0.00 0.71 0.00 0.00 52.55 53.71 1don s ASP 3 Cb -0.11 -2.56 0.00 0.00 1.01 0.00 0.00 42.92 41.26 1don s ASP 3 CO 0.10 -3.23 0.86 0.00 0.21 0.00 0.00 175.17 173.11 1don n ALA 4 N 15.89 -1.74 0.05 5.23 0.00 -1.26 -4.91 120.51 133.77 1don n ALA 4 Ca 0.43 -0.05 -0.14 0.00 0.00 0.00 0.00 53.44 53.68 1don n ALA 4 Cb 0.45 -2.15 -0.04 0.00 0.00 0.00 0.00 19.45 17.71 1don n ALA 4 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 1don h ILE 5 N -1.63 1.37 -0.64 0.00 6.09 -1.94 -3.29 117.51 117.46 1don h ILE 5 Ca -0.51 -2.32 -0.71 0.00 -1.37 0.00 0.00 64.86 59.96 1don h ILE 5 Cb 1.29 2.31 -0.06 0.00 0.47 0.00 0.00 36.82 40.84 1don h ILE 5 CO 0.43 0.70 3.05 -0.46 -3.07 0.00 0.00 178.15 178.80 1don n ASN 6 N -3.80 8.13 -4.57 2.19 6.94 -1.26 -4.91 115.26 117.98 1don n ASN 6 Ca -0.07 -2.89 -0.34 0.00 -0.02 0.00 0.00 54.58 51.26 1don n ASN 6 Cb 0.81 -1.46 -0.11 0.00 -2.36 0.00 0.00 39.78 36.66 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 0.45 3.09 -0.55 -2.53 0.00 -1.24 -5.02 121.76 115.95 1don s ALA 7 Ca 0.60 -0.83 -0.26 0.00 0.00 0.00 0.00 51.96 51.47 1don s ALA 7 Cb 0.18 -1.48 -0.05 0.00 0.00 0.00 0.00 23.12 21.77 1don s ALA 7 CO -0.08 0.40 2.21 -2.14 0.00 0.00 0.00 175.76 176.15 1don s PRO 8 N -0.24 2.27 -0.41 0.00 0.02 -1.26 -4.89 135.00 130.48 1don s PRO 8 Ca 0.05 1.06 -0.23 0.00 0.02 0.00 0.00 61.00 61.89 1don s PRO 8 Cb -0.13 -4.53 0.02 0.00 0.02 0.00 0.00 34.50 29.88 1don s PRO 8 CO 0.02 -3.14 0.80 0.54 -0.33 0.00 0.00 177.00 174.89 1don s VAL 9 N 11.18 4.67 -0.48 3.83 0.11 -1.26 -4.99 120.40 133.45 1don s VAL 9 Ca 0.86 0.66 -0.28 0.00 -2.93 0.00 0.00 61.98 60.29 1don s VAL 9 Cb -0.15 -4.28 0.01 0.00 -1.53 0.00 0.00 36.38 30.42 1don s VAL 9 CO 0.23 -0.61 1.49 -0.89 -3.33 0.00 0.00 175.10 171.99 1don s THR 10 N 3.25 3.77 0.00 5.04 2.01 -1.26 -4.94 115.64 123.51 1don s THR 10 Ca 0.31 0.72 0.00 0.00 0.31 0.00 0.00 61.69 63.03 1don s THR 10 Cb -0.12 -4.23 0.00 0.00 0.01 0.00 0.00 72.50 68.16 1don s THR 10 CO 0.21 -0.91 0.00 0.00 -0.69 0.00 0.00 174.62 173.23 1don n TYR 13 N -0.36 0.00 -3.73 0.00 4.01 -1.26 -4.95 117.16 110.87 1don n TYR 13 Ca 0.03 0.00 -0.00 0.00 -0.16 0.00 0.00 57.90 57.77 1don n TYR 13 Cb 0.32 0.10 -0.00 0.00 -0.31 0.00 0.00 39.34 39.45 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 -1.83 1.46 -3.60 7.72 3.02 -1.26 -5.15 115.26 115.61 1don n ASN 14 Ca 0.00 -1.00 -0.06 0.00 -0.03 0.00 0.00 54.58 53.48 1don n ASN 14 Cb 0.06 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.15 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 -0.46 -0.97 -0.63 3.10 0.40 -1.26 -4.70 117.98 113.47 1don s PHE 15 Ca 0.00 1.66 -0.32 0.00 -0.60 0.00 0.00 56.93 57.68 1don s PHE 15 Cb -0.00 0.41 -0.14 0.00 0.51 0.00 0.00 43.02 43.79 1don s PHE 15 CO 0.00 -0.57 2.44 -2.37 0.70 0.00 0.00 175.22 175.42 1don n THR 16 N 5.40 0.03 0.38 0.64 5.66 -0.73 -4.73 114.28 120.94 1don n THR 16 Ca -0.08 -0.31 0.09 0.00 -3.05 0.00 0.00 64.05 60.69 1don n THR 16 Cb 0.49 -1.51 0.24 0.00 -1.55 0.00 0.00 70.33 68.01 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 11.76 2.78 -4.96 1.09 5.15 -1.26 -4.57 115.26 125.25 1don n ASN 17 Ca 0.50 -1.98 -0.23 0.00 -0.60 0.00 0.00 54.58 52.27 1don n ASN 17 Cb 0.24 -0.33 0.04 0.00 -0.53 0.00 0.00 39.78 39.19 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 -1.34 2.58 -1.37 1.20 0.52 -1.26 -4.96 118.95 114.32 1don s ARG 18 Ca 0.35 -0.57 -0.07 0.00 -0.52 0.00 0.00 55.73 54.92 1don s ARG 18 Cb 0.18 -2.42 0.09 0.00 0.52 0.00 0.00 34.95 33.33 1don s ARG 18 CO 0.24 -0.75 2.39 1.63 0.02 0.00 0.00 175.30 178.83 1don n LYS 19 N -2.44 4.22 -1.65 3.54 4.76 -1.26 -4.93 118.16 120.41 1don n LYS 19 Ca 0.07 -3.24 -0.53 0.00 -2.87 0.00 0.00 58.31 51.73 1don n LYS 19 Cb 0.59 -2.73 -0.06 0.00 -1.84 0.00 0.00 35.03 30.99 1don n LYS 19 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 1don n ILE 20 N 2.43 0.16 -1.63 -0.18 5.41 -1.26 -4.77 119.36 119.52 1don n ILE 20 Ca 0.61 -0.03 -0.55 0.00 1.00 0.00 0.00 62.75 63.78 1don n ILE 20 Cb 0.27 -1.11 -0.07 0.00 -0.71 0.00 0.00 39.64 38.02 1don n ILE 20 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 1don n SER 21 N 4.01 1.76 0.33 4.38 2.88 -1.26 -4.76 113.62 120.97 1don n SER 21 Ca 0.22 1.11 0.18 0.00 -1.33 0.00 0.00 58.87 59.05 1don n SER 21 Cb 0.18 -1.15 0.97 0.00 -0.75 0.00 0.00 64.21 63.46 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 3.97 0.02 -0.22 2.46 3.04 -1.95 0.65 116.25 124.20 1don h VAL 22 Ca -0.47 0.00 -0.06 0.00 -1.01 0.00 0.00 66.70 65.16 1don h VAL 22 Cb 1.34 0.80 -0.01 0.00 -2.01 0.00 0.00 31.29 31.41 1don h VAL 22 CO 0.83 0.00 -0.10 0.06 -1.01 0.00 0.00 177.57 177.36 1don h GLN 23 N 0.00 0.46 -0.58 4.17 3.07 -2.00 -2.72 115.11 117.52 1don h GLN 23 Ca 0.00 -0.20 0.11 0.00 0.09 0.00 0.00 58.65 58.66 1don h GLN 23 Cb 0.42 -0.02 -0.03 0.00 0.08 0.00 0.00 27.48 27.93 1don h GLN 23 CO -0.00 0.73 0.39 0.00 0.09 0.00 0.00 178.83 180.04 1don h ARG 24 N 0.17 0.31 -5.77 0.06 2.47 -1.20 -3.36 114.38 107.07 1don h ARG 24 Ca 0.05 -0.02 -0.34 0.00 -1.26 0.00 0.00 59.98 58.42 1don h ARG 24 Cb 0.59 -0.07 -0.04 0.00 -1.65 0.00 0.00 29.97 28.79 1don h ARG 24 CO 0.03 0.21 0.87 -0.51 0.56 0.00 0.00 179.97 181.13 1don s LEU 25 N -9.23 3.19 0.48 3.04 1.43 -1.03 -0.65 118.68 115.91 1don s LEU 25 Ca -0.07 -0.40 0.31 0.00 -1.03 0.00 0.00 54.13 52.95 1don s LEU 25 Cb 0.20 -2.55 1.29 0.00 0.03 0.00 0.00 46.19 45.15 1don s LEU 25 CO 0.74 -2.69 1.93 0.00 0.23 0.00 0.00 176.35 176.56 1don h ALA 26 N 12.29 1.00 -2.35 4.21 0.00 0.58 -3.47 119.26 131.51 1don h ALA 26 Ca 0.01 0.00 0.19 0.00 0.00 0.00 0.00 54.91 55.11 1don h ALA 26 Cb 1.04 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.78 1don h ALA 26 CO 1.21 0.00 0.60 -1.12 0.00 0.00 0.00 179.25 179.94 1don s SER 27 N -5.34 -0.05 -0.17 0.00 0.01 -0.11 -4.96 113.70 103.08 1don s SER 27 Ca 0.02 -0.52 -0.10 0.00 1.31 0.00 0.00 55.95 56.65 1don s SER 27 Cb 0.09 0.45 0.06 0.00 0.21 0.00 0.00 66.02 66.82 1don s SER 27 CO 0.51 -0.86 0.42 -0.47 0.41 0.00 0.00 173.24 173.25 1don s TYR 28 N -2.49 -0.60 -0.52 2.43 6.14 -1.24 -1.02 117.35 120.05 1don s TYR 28 Ca 0.19 1.29 0.04 0.00 0.64 0.00 0.00 57.07 59.23 1don s TYR 28 Cb -0.01 0.26 0.16 0.00 0.42 0.00 0.00 41.96 42.79 1don s TYR 28 CO 0.03 -0.33 0.36 0.50 0.64 0.00 0.00 175.55 176.75 1don s ARG 29 N 1.21 1.55 -0.52 4.97 3.52 -0.49 -4.84 118.95 124.34 1don s ARG 29 Ca -0.08 -2.48 -0.36 0.00 -0.13 0.00 0.00 55.73 52.68 1don s ARG 29 Cb -0.07 -2.40 -0.15 0.00 -1.56 0.00 0.00 34.95 30.76 1don s ARG 29 CO -0.11 -1.28 2.28 -2.13 -0.81 0.00 0.00 175.30 173.26 1don n ARG 30 N 2.80 0.54 -1.25 5.12 3.00 -1.26 -1.79 116.66 123.83 1don n ARG 30 Ca 0.19 0.12 -0.31 0.00 -0.00 0.00 0.00 57.85 57.86 1don n ARG 30 Cb 0.39 -2.07 0.11 0.00 0.00 0.00 0.00 32.46 30.88 1don n ARG 30 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1don s ILE 31 N 7.62 3.10 0.00 5.15 1.01 0.15 -4.88 121.20 133.35 1don s ILE 31 Ca 1.17 0.36 0.00 0.00 0.00 0.00 0.00 60.65 62.17 1don s ILE 31 Cb -1.07 -2.85 0.00 0.00 0.01 0.00 0.00 42.46 38.55 1don s ILE 31 CO 0.52 -0.47 0.00 0.35 0.00 0.00 0.00 174.94 175.35 1don n THR 32 N -3.64 0.00 -1.92 2.92 -2.24 -1.26 -3.02 114.28 105.11 1don n THR 32 Ca 0.08 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.49 1don n THR 32 Cb 0.54 0.00 0.03 0.00 -2.10 0.00 0.00 70.33 68.80 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 5.39 0.19 3.42 0.15 -1.26 -4.85 113.70 116.73 1don s SER 33 Ca 0.00 2.58 0.17 0.00 0.70 0.00 0.00 55.95 59.40 1don s SER 33 Cb 0.00 -2.62 0.80 0.00 -1.71 0.00 0.00 66.02 62.49 1don s SER 33 CO 0.00 -1.48 1.51 -1.20 1.20 0.00 0.00 173.24 173.28 1don n SER 34 N -1.10 0.39 -0.00 5.45 7.64 -1.26 -1.62 113.62 123.12 1don n SER 34 Ca 0.11 0.64 0.09 0.00 1.01 0.00 0.00 58.87 60.72 1don n SER 34 Cb 0.47 -0.71 -0.12 0.00 -1.01 0.00 0.00 64.21 62.84 1don n SER 34 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1don n LYS 35 N -1.98 0.75 -2.34 1.43 4.76 -1.26 -4.94 118.16 114.58 1don n LYS 35 Ca 0.01 -0.07 -0.42 0.00 -2.87 0.00 0.00 58.31 54.96 1don n LYS 35 Cb 0.11 -1.41 -0.03 0.00 -1.84 0.00 0.00 35.03 31.86 1don n LYS 35 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1don h PRO 37 N 7.07 0.00 -2.74 0.00 0.13 -1.92 -3.43 132.00 131.12 1don h PRO 37 Ca -0.40 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.60 1don h PRO 37 Cb 1.20 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 32.07 1don h PRO 37 CO 0.85 0.01 -0.29 0.15 -0.23 0.00 0.00 178.00 178.49 1don s LYS 38 N -4.01 0.41 1.06 0.86 1.02 -1.26 -5.16 119.74 112.66 1don s LYS 38 Ca -0.03 0.66 -0.18 0.00 0.02 0.00 0.00 55.97 56.45 1don s LYS 38 Cb 0.12 0.08 0.27 0.00 -0.52 0.00 0.00 37.83 37.77 1don s LYS 38 CO 0.47 -0.11 0.82 0.39 -0.92 0.00 0.00 175.35 176.00 1don n GLU 39 N 3.65 -3.30 -3.01 1.68 1.02 -1.26 -4.68 120.64 114.75 1don n GLU 39 Ca -0.19 -1.33 0.00 0.00 -0.02 0.00 0.00 57.16 55.62 1don n GLU 39 Cb 0.56 -1.39 0.00 0.00 -0.02 0.00 0.00 31.44 30.59 1don n GLU 39 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1don n ALA 40 N -4.78 0.00 -3.72 0.62 0.00 -1.17 -4.91 120.51 106.55 1don n ALA 40 Ca -0.16 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.07 1don n ALA 40 Cb 0.48 0.00 -0.18 0.00 0.00 0.00 0.00 19.45 19.75 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 -3.00 0.15 -1.22 0.00 1.01 -0.60 -0.67 120.40 116.07 1don s VAL 41 Ca 0.00 0.24 -0.19 0.00 0.00 0.00 0.00 61.98 62.04 1don s VAL 41 Cb 0.00 -0.34 0.08 0.00 0.00 0.00 0.00 36.38 36.11 1don s VAL 41 CO 0.00 0.21 1.63 -0.63 0.00 0.00 0.00 175.10 176.32 1don s ILE 42 N 1.93 4.18 -1.19 2.22 -1.09 -0.74 -1.16 121.20 125.35 1don s ILE 42 Ca 0.03 -1.73 -0.21 0.00 -2.23 0.00 0.00 60.65 56.51 1don s ILE 42 Cb -0.12 -5.13 -0.03 0.00 -1.58 0.00 0.00 42.46 35.59 1don s ILE 42 CO -0.04 -1.96 1.86 -0.36 -1.23 0.00 0.00 174.94 173.21 1don s PHE 43 N 4.11 2.21 -0.54 3.97 0.08 -0.73 -1.40 117.98 125.67 1don s PHE 43 Ca 0.51 -0.18 -0.26 0.00 0.12 0.00 0.00 56.93 57.11 1don s PHE 43 Cb 0.02 -4.25 -0.07 0.00 -0.57 0.00 0.00 43.02 38.15 1don s PHE 43 CO 0.03 -1.45 2.31 0.15 -0.10 0.00 0.00 175.22 176.16 1don s LYS 44 N 5.80 2.14 0.00 0.44 1.02 -0.19 -2.01 119.74 126.94 1don s LYS 44 Ca 0.63 1.17 0.00 0.00 0.02 0.00 0.00 55.97 57.80 1don s LYS 44 Cb 0.00 -4.58 0.00 0.00 -0.52 0.00 0.00 37.83 32.73 1don s LYS 44 CO 0.10 -3.30 0.00 0.25 -0.92 0.00 0.00 175.35 171.48 1don n THR 45 N 7.93 0.00 0.01 2.17 -2.24 -1.18 0.82 114.28 121.79 1don n THR 45 Ca 0.35 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 62.09 1don n THR 45 Cb 0.53 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.65 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 -0.64 1.37 0.44 2.28 -0.00 0.18 -2.84 119.36 120.14 1don n ILE 46 Ca 0.00 -0.74 0.04 0.00 -0.00 0.00 0.00 62.75 62.05 1don n ILE 46 Cb 0.00 -0.86 0.17 0.00 -0.00 0.00 0.00 39.64 38.95 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 -2.95 0.95 -1.23 7.28 3.14 -1.26 -4.83 118.33 119.43 1don n VAL 47 Ca -0.13 -0.56 -0.08 0.00 -2.96 0.00 0.00 64.34 60.61 1don n VAL 47 Cb 0.94 -0.19 -0.03 0.00 -1.06 0.00 0.00 33.84 33.49 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 0.34 -0.12 -2.64 1.55 0.00 -1.23 -4.92 120.51 113.48 1don n ALA 48 Ca 0.12 0.13 -0.43 0.00 0.00 0.00 0.00 53.44 53.26 1don n ALA 48 Cb 0.53 -1.11 -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 -2.50 3.94 -0.22 0.00 2.20 -1.26 -4.75 119.74 117.14 1don s LYS 49 Ca 0.00 -1.96 -0.33 0.00 -0.36 0.00 0.00 55.97 53.32 1don s LYS 49 Cb 0.00 -5.42 -0.10 0.00 -1.51 0.00 0.00 37.83 30.80 1don s LYS 49 CO 0.00 -2.16 2.07 0.39 -0.36 0.00 0.00 175.35 175.29 1don n GLU 50 N 7.99 1.71 -3.75 4.03 1.02 -1.26 -3.07 120.64 127.31 1don n GLU 50 Ca 0.44 0.55 -0.38 0.00 -0.02 0.00 0.00 57.16 57.75 1don n GLU 50 Cb 0.46 -2.71 -0.12 0.00 -0.02 0.00 0.00 31.44 29.05 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 6.24 3.64 0.11 -3.67 1.01 -0.85 -4.82 121.20 122.87 1don s ILE 51 Ca 1.01 -1.46 -0.31 0.00 0.00 0.00 0.00 60.65 59.89 1don s ILE 51 Cb -0.67 -3.21 -0.10 0.00 0.01 0.00 0.00 42.46 38.48 1don s ILE 51 CO 0.47 -0.37 1.83 0.00 0.00 0.00 0.00 174.94 176.87 1don s ALA 53 N 2.85 1.49 -0.25 0.00 0.00 -0.31 -1.77 121.76 123.76 1don s ALA 53 Ca 0.81 -1.01 -0.29 0.00 0.00 0.00 0.00 51.96 51.47 1don s ALA 53 Cb -0.45 -0.23 -0.01 0.00 0.00 0.00 0.00 23.12 22.43 1don s ALA 53 CO 0.36 0.30 1.33 0.34 0.00 0.00 0.00 175.76 178.09 1don s ASP 54 N -1.40 6.71 0.23 0.00 2.15 -1.26 -1.56 116.67 121.55 1don s ASP 54 Ca 0.04 1.38 0.19 0.00 0.43 0.00 0.00 52.55 54.59 1don s ASP 54 Cb -0.09 -2.54 0.91 0.00 -0.30 0.00 0.00 42.92 40.90 1don s ASP 54 CO 0.02 -1.01 1.57 -0.81 -0.17 0.00 0.00 175.17 174.76 1don n PRO 55 N 7.16 0.13 -0.01 4.34 -0.04 -1.26 -1.67 135.00 143.64 1don n PRO 55 Ca 0.15 0.53 0.06 0.00 -0.04 0.00 0.00 63.50 64.20 1don n PRO 55 Cb 0.46 -1.84 0.35 0.00 -0.04 0.00 0.00 33.50 32.44 1don n PRO 55 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1don n LYS 56 N -2.09 1.09 -2.69 0.54 4.76 -1.26 -4.52 118.16 113.99 1don n LYS 56 Ca 0.00 -0.13 -0.26 0.00 -2.87 0.00 0.00 58.31 55.05 1don n LYS 56 Cb 0.10 -1.21 0.01 0.00 -1.84 0.00 0.00 35.03 32.09 1don n LYS 56 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 1don s GLN 57 N -1.97 3.16 0.02 1.97 1.11 -0.67 -4.99 119.66 118.30 1don s GLN 57 Ca 0.19 -0.11 0.24 0.00 0.01 0.00 0.00 55.36 55.70 1don s GLN 57 Cb 0.09 -2.40 0.31 0.00 -1.01 0.00 0.00 33.01 30.00 1don s GLN 57 CO 0.15 -0.39 1.27 1.17 0.01 0.00 0.00 175.29 177.50 1don n LYS 58 N -2.31 0.08 -0.05 2.91 3.00 -1.26 -3.10 118.16 117.43 1don n LYS 58 Ca 0.02 0.01 -0.14 0.00 -0.00 0.00 0.00 58.31 58.20 1don n LYS 58 Cb 0.57 -1.54 -0.14 0.00 0.00 0.00 0.00 35.03 33.92 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 -1.65 0.65 -0.06 5.64 4.27 -1.26 -3.86 117.44 121.17 1don n TRP 59 Ca 0.04 0.19 -0.13 0.00 -3.89 0.00 0.00 57.50 53.71 1don n TRP 59 Cb 0.36 -1.10 -0.07 0.00 -1.36 0.00 0.00 31.31 29.15 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 0.02 1.34 -0.71 -1.67 2.07 -1.86 -1.45 116.25 113.99 1don h VAL 60 Ca -0.44 -1.35 0.21 0.00 0.82 0.00 0.00 66.70 65.93 1don h VAL 60 Cb 2.06 1.83 -0.03 0.00 -1.52 0.00 0.00 31.29 33.63 1don h VAL 60 CO 0.04 0.41 0.63 1.56 0.02 0.00 0.00 177.57 180.22 1don h GLN 61 N 0.08 0.00 0.10 1.57 4.20 -1.71 0.53 115.11 119.89 1don h GLN 61 Ca 0.03 0.00 -0.31 0.00 0.06 0.00 0.00 58.65 58.43 1don h GLN 61 Cb 0.73 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.49 1don h GLN 61 CO 0.05 0.00 -1.60 -0.44 -0.67 0.00 0.00 178.83 176.16 1don h ASP 62 N 0.00 0.35 0.06 1.46 3.32 -1.55 -3.24 116.42 116.81 1don h ASP 62 Ca 0.34 -0.53 -0.00 0.00 0.02 0.00 0.00 57.03 56.86 1don h ASP 62 Cb 1.59 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 41.03 1don h ASP 62 CO -0.00 1.45 -0.03 0.28 -1.72 0.00 0.00 179.24 179.22 1don h SER 63 N 0.06 -0.06 -0.72 6.45 0.02 0.88 -2.45 113.55 117.72 1don h SER 63 Ca -0.27 0.00 0.21 0.00 -0.84 0.00 0.00 61.79 60.90 1don h SER 63 Cb 2.01 0.02 -0.03 0.00 0.14 0.00 0.00 62.40 64.54 1don h SER 63 CO 0.14 0.17 0.84 0.00 -1.14 0.00 0.00 176.83 176.85 1don h MET 64 N -0.50 0.00 0.17 3.45 -0.00 -0.50 0.75 114.93 118.30 1don h MET 64 Ca -0.01 0.00 -0.23 0.00 -0.00 0.00 0.00 59.70 59.46 1don h MET 64 Cb 0.06 0.00 0.03 0.00 -0.00 0.00 0.00 31.60 31.68 1don h MET 64 CO 0.01 0.00 -1.01 -0.44 -0.00 0.00 0.00 176.91 175.48 1don h ASP 65 N 0.00 0.59 -0.99 -0.10 5.19 -1.62 0.07 116.42 119.56 1don h ASP 65 Ca 0.34 -0.94 0.09 0.00 -0.62 0.00 0.00 57.03 55.90 1don h ASP 65 Cb 2.03 -0.19 -0.07 0.00 0.18 0.00 0.00 39.33 41.28 1don h ASP 65 CO -0.00 1.49 0.63 -0.74 -3.12 0.00 0.00 179.24 177.50 1don h HIS 66 N -0.21 1.15 0.00 4.55 2.76 0.98 0.25 115.15 124.63 1don h HIS 66 Ca -0.17 0.03 -0.18 0.00 -2.20 0.00 0.00 60.37 57.85 1don h HIS 66 Cb 1.79 -0.37 -0.02 0.00 1.55 0.00 0.00 27.41 30.36 1don h HIS 66 CO 0.18 0.54 -0.83 -0.07 -1.30 0.00 0.00 177.93 176.44 1don h LEU 67 N 1.08 0.01 -0.10 0.26 3.38 -1.24 -1.76 115.31 116.93 1don h LEU 67 Ca 0.45 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.42 1don h LEU 67 Cb 0.31 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1don h LEU 67 CO -0.21 0.84 0.00 -0.67 0.09 0.00 0.00 178.44 178.49 1don n ASP 68 N -3.56 0.08 -1.65 -0.43 2.03 0.62 -2.39 116.55 111.25 1don n ASP 68 Ca -0.01 0.52 -0.00 0.00 0.52 0.00 0.00 54.79 55.82 1don n ASP 68 Cb 0.80 -0.54 0.07 0.00 -0.72 0.00 0.00 41.12 40.73 1don n ASP 68 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 1don n LYS 69 N -1.59 1.27 -0.74 -0.67 2.85 0.32 -4.78 118.16 114.83 1don n LYS 69 Ca 0.03 -2.96 -0.03 0.00 -1.05 0.00 0.00 58.31 54.30 1don n LYS 69 Cb 0.16 -1.07 -0.03 0.00 -0.65 0.00 0.00 35.03 33.44 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 -0.31 0.01 -0.01 -1.58 -0.00 -0.73 -4.97 117.38 109.79 1don n GLN 70 Ca 0.15 -0.45 -0.00 0.00 -0.00 0.00 0.00 57.00 56.70 1don n GLN 70 Cb 0.93 0.50 -0.03 0.00 -0.00 0.00 0.00 30.24 31.64 1don n GLN 70 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.06 179.47 1don n THR 71 N -0.01 0.13 -2.95 -0.39 -1.04 -1.00 -4.84 114.28 104.18 1don n THR 71 Ca -0.12 -0.12 -0.14 0.00 -2.04 0.00 0.00 64.05 61.62 1don n THR 71 Cb 0.45 -0.32 0.02 0.00 -1.82 0.00 0.00 70.33 68.67 1don n THR 71 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1don n GLN 72 N -1.91 0.93 -3.76 -2.82 10.64 -1.26 -5.05 117.38 114.15 1don n GLN 72 Ca -0.04 -2.55 -0.35 0.00 -1.83 0.00 0.00 57.00 52.24 1don n GLN 72 Cb 0.39 -1.35 -0.10 0.00 -0.86 0.00 0.00 30.24 28.32 1don n GLN 72 CO 0.00 0.00 0.00 0.99 -1.83 0.00 0.00 177.06 176.22 1don s THR 73 N -0.75 3.59 1.20 -0.39 2.01 -1.26 -5.08 115.64 114.95 1don s THR 73 Ca 0.31 -3.34 -0.13 0.00 0.31 0.00 0.00 61.69 58.84 1don s THR 73 Cb 0.29 -3.33 0.30 0.00 0.01 0.00 0.00 72.50 69.77 1don s THR 73 CO -0.10 -0.92 1.02 -2.84 -0.69 0.00 0.00 174.62 171.09 1don s PRO 74 N -0.51 -1.19 0.12 4.92 0.01 -1.26 -5.06 135.00 132.04 1don s PRO 74 Ca 0.20 0.80 -0.26 0.00 0.01 0.00 0.00 61.00 61.75 1don s PRO 74 Cb -0.17 -1.52 0.08 0.00 0.01 0.00 0.00 34.50 32.89 1don s PRO 74 CO -0.06 -3.90 1.03 -1.59 0.01 0.00 0.00 177.00 172.49 1don s LYS 75 N -4.43 1.05 0.00 5.54 -2.85 -1.26 -5.25 119.74 112.55 1don s LYS 75 Ca 0.69 -0.59 0.24 0.00 -1.00 0.00 0.00 55.97 55.31 1don s LYS 75 Cb -0.25 0.35 0.29 0.00 -2.06 0.00 0.00 37.83 36.15 1don s LYS 75 CO 0.65 -0.48 1.31 0.25 0.10 0.00 0.00 175.35 177.18