#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 1.59 0.34 3.69 0.04 -1.26 -4.91 135.00 134.49 1don s PRO 2 Ca 0.00 0.11 -0.29 0.00 0.04 0.00 0.00 61.00 60.87 1don s PRO 2 Cb 0.00 -4.88 -0.11 0.00 0.04 0.00 0.00 34.50 29.55 1don s PRO 2 CO 0.00 -4.64 1.47 -0.51 0.04 0.00 0.00 177.00 173.37 1don s ASP 3 N 9.84 6.46 0.00 6.66 1.11 -1.26 -4.03 116.67 135.46 1don s ASP 3 Ca 0.87 2.93 0.00 0.00 0.18 0.00 0.00 52.55 56.52 1don s ASP 3 Cb -0.10 -2.65 0.00 0.00 1.07 0.00 0.00 42.92 41.24 1don s ASP 3 CO 0.10 -0.80 0.00 0.00 1.18 0.00 0.00 175.17 175.65 1don n ALA 4 N 1.08 -0.63 0.47 5.23 0.00 -1.26 -4.99 120.51 120.41 1don n ALA 4 Ca 0.03 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.59 1don n ALA 4 Cb 0.39 -0.10 0.17 0.00 0.00 0.00 0.00 19.45 19.91 1don n ALA 4 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1don h ILE 5 N 0.00 0.00 -1.01 0.00 1.08 -2.01 -3.35 117.51 112.22 1don h ILE 5 Ca 0.00 -0.61 -0.73 0.00 -0.39 0.00 0.00 64.86 63.13 1don h ILE 5 Cb 0.55 1.26 -0.10 0.00 -3.07 0.00 0.00 36.82 35.46 1don h ILE 5 CO 0.00 0.00 2.60 -0.46 -0.69 0.00 0.00 178.15 179.60 1don n ASN 6 N -2.30 8.15 -4.70 1.72 6.94 -1.26 -4.93 115.26 118.89 1don n ASN 6 Ca 0.03 -3.07 -0.35 0.00 -0.02 0.00 0.00 54.58 51.17 1don n ASN 6 Cb 0.46 -1.39 -0.09 0.00 -2.36 0.00 0.00 39.78 36.41 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 3.32 -0.57 -2.53 0.00 -1.26 -5.03 121.76 114.95 1don s ALA 7 Ca 0.56 -0.82 -0.26 0.00 0.00 0.00 0.00 51.96 51.44 1don s ALA 7 Cb 0.18 -1.49 -0.03 0.00 0.00 0.00 0.00 23.12 21.78 1don s ALA 7 CO -0.09 0.60 1.99 -1.25 0.00 0.00 0.00 175.76 177.01 1don s PRO 8 N -1.00 2.53 -0.54 0.00 0.04 -1.26 -4.91 135.00 129.86 1don s PRO 8 Ca 0.14 0.83 -0.24 0.00 0.04 0.00 0.00 61.00 61.78 1don s PRO 8 Cb -0.11 -4.43 0.04 0.00 0.04 0.00 0.00 34.50 30.04 1don s PRO 8 CO 0.04 -2.83 0.90 0.54 0.04 0.00 0.00 177.00 175.69 1don s VAL 9 N 9.74 4.46 -0.33 -0.36 0.11 -1.26 -4.98 120.40 127.78 1don s VAL 9 Ca 0.75 0.20 -0.28 0.00 -2.93 0.00 0.00 61.98 59.72 1don s VAL 9 Cb -0.14 -4.50 -0.02 0.00 -1.53 0.00 0.00 36.38 30.19 1don s VAL 9 CO 0.22 -1.06 1.83 -0.89 -3.33 0.00 0.00 175.10 171.87 1don s THR 10 N 3.77 3.44 0.00 5.04 2.01 -1.26 -4.92 115.64 123.72 1don s THR 10 Ca 0.29 0.45 0.00 0.00 0.31 0.00 0.00 61.69 62.73 1don s THR 10 Cb -0.13 -3.61 0.00 0.00 0.01 0.00 0.00 72.50 68.77 1don s THR 10 CO 0.19 -0.40 0.00 0.00 -0.69 0.00 0.00 174.62 173.72 1don n TYR 13 N -0.34 -0.01 -4.60 0.00 4.01 -1.26 -4.93 117.16 110.03 1don n TYR 13 Ca -0.03 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.44 1don n TYR 13 Cb 0.21 0.04 -0.10 0.00 -0.31 0.00 0.00 39.34 39.19 1don n TYR 13 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 1don s ASN 14 N -3.04 3.40 -0.04 7.72 0.01 -1.26 -5.15 114.94 116.59 1don s ASN 14 Ca 0.00 -1.49 -0.02 0.00 -0.71 0.00 0.00 52.86 50.65 1don s ASN 14 Cb 0.00 0.04 0.03 0.00 0.41 0.00 0.00 41.25 41.73 1don s ASN 14 CO 0.00 -0.66 0.06 -0.36 -1.51 0.00 0.00 177.10 174.63 1don s PHE 15 N -2.97 0.04 -0.80 2.20 0.08 -1.26 -4.63 117.98 110.64 1don s PHE 15 Ca 0.26 0.24 -0.26 0.00 0.12 0.00 0.00 56.93 57.29 1don s PHE 15 Cb 0.07 -0.41 -0.17 0.00 -0.57 0.00 0.00 43.02 41.93 1don s PHE 15 CO 0.13 -0.17 2.50 -2.37 -0.10 0.00 0.00 175.22 175.21 1don n THR 16 N 5.00 -0.03 1.27 0.64 5.66 -0.55 -4.69 114.28 121.57 1don n THR 16 Ca -0.10 -0.41 0.11 0.00 -3.05 0.00 0.00 64.05 60.60 1don n THR 16 Cb 0.50 -1.41 0.39 0.00 -1.55 0.00 0.00 70.33 68.26 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 12.71 1.61 -4.74 1.09 5.15 -1.26 -4.66 115.26 125.16 1don n ASN 17 Ca 0.54 -1.68 -0.38 0.00 -0.60 0.00 0.00 54.58 52.46 1don n ASN 17 Cb 0.27 -0.09 -0.06 0.00 -0.53 0.00 0.00 39.78 39.37 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 -1.81 4.29 -0.81 1.20 0.52 -1.26 -4.94 118.95 116.14 1don s ARG 18 Ca 0.33 0.48 -0.22 0.00 -0.52 0.00 0.00 55.73 55.80 1don s ARG 18 Cb 0.18 -3.40 -0.18 0.00 0.52 0.00 0.00 34.95 32.06 1don s ARG 18 CO 0.27 0.24 2.38 1.63 0.02 0.00 0.00 175.30 179.84 1don n LYS 19 N 3.34 0.46 -2.66 3.54 5.02 -1.26 -4.85 118.16 121.75 1don n LYS 19 Ca -0.08 -0.42 -0.42 0.00 -2.02 0.00 0.00 58.31 55.37 1don n LYS 19 Cb 0.52 -2.81 -0.03 0.00 -0.02 0.00 0.00 35.03 32.69 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 10.30 4.73 -0.14 -0.18 1.01 -1.26 -4.93 121.20 130.73 1don s ILE 20 Ca 1.07 1.98 -0.40 0.00 0.00 0.00 0.00 60.65 63.30 1don s ILE 20 Cb -0.41 -4.27 -0.18 0.00 0.01 0.00 0.00 42.46 37.61 1don s ILE 20 CO 0.27 0.09 1.45 -0.24 0.00 0.00 0.00 174.94 176.51 1don n SER 21 N 4.41 1.48 0.29 3.58 2.88 -1.26 -4.74 113.62 120.26 1don n SER 21 Ca 0.08 1.12 0.17 0.00 -1.33 0.00 0.00 58.87 58.91 1don n SER 21 Cb 0.49 -1.07 0.87 0.00 -0.75 0.00 0.00 64.21 63.75 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 4.11 0.10 -0.18 2.46 3.04 -1.95 0.14 116.25 123.97 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 1.35 0.73 -0.00 0.00 -2.01 0.00 0.00 31.29 31.36 1don h VAL 22 CO 0.84 0.00 -0.12 0.06 -1.01 0.00 0.00 177.57 177.35 1don h GLN 23 N 0.00 0.40 -0.69 4.17 3.07 -2.01 -2.75 115.11 117.29 1don h GLN 23 Ca 0.04 -0.19 0.15 0.00 0.09 0.00 0.00 58.65 58.74 1don h GLN 23 Cb 0.60 -0.00 -0.04 0.00 0.08 0.00 0.00 27.48 28.12 1don h GLN 23 CO -0.00 0.72 0.47 0.00 0.09 0.00 0.00 178.83 180.11 1don h ARG 24 N 0.07 0.29 -5.82 0.06 2.47 -1.06 -3.35 114.38 107.04 1don h ARG 24 Ca 0.04 -0.02 -0.37 0.00 -1.26 0.00 0.00 59.98 58.37 1don h ARG 24 Cb 0.62 -0.07 -0.05 0.00 -1.65 0.00 0.00 29.97 28.82 1don h ARG 24 CO 0.03 0.19 0.93 -0.51 0.56 0.00 0.00 179.97 181.17 1don s LEU 25 N -9.18 3.22 0.48 3.04 1.43 -1.04 -0.63 118.68 116.00 1don s LEU 25 Ca -0.07 -0.57 0.32 0.00 -1.03 0.00 0.00 54.13 52.78 1don s LEU 25 Cb 0.21 -2.56 1.32 0.00 0.03 0.00 0.00 46.19 45.19 1don s LEU 25 CO 0.76 -2.53 1.93 0.00 0.23 0.00 0.00 176.35 176.73 1don h ALA 26 N 11.77 1.00 -2.26 4.21 0.00 0.83 -3.47 119.26 131.34 1don h ALA 26 Ca 0.03 0.00 0.23 0.00 0.00 0.00 0.00 54.91 55.17 1don h ALA 26 Cb 1.03 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.76 1don h ALA 26 CO 1.24 0.00 0.68 -1.12 0.00 0.00 0.00 179.25 180.05 1don s SER 27 N -5.29 -0.03 -0.19 0.00 0.01 -0.03 -4.96 113.70 103.22 1don s SER 27 Ca 0.02 -0.45 -0.10 0.00 1.31 0.00 0.00 55.95 56.73 1don s SER 27 Cb 0.09 0.37 0.07 0.00 0.21 0.00 0.00 66.02 66.76 1don s SER 27 CO 0.50 -0.72 0.44 -0.47 0.41 0.00 0.00 173.24 173.40 1don s TYR 28 N -2.33 -0.68 -0.60 2.43 5.04 -1.25 -0.17 117.35 119.79 1don s TYR 28 Ca 0.21 1.41 0.05 0.00 -2.44 0.00 0.00 57.07 56.30 1don s TYR 28 Cb -0.01 0.31 0.17 0.00 0.35 0.00 0.00 41.96 42.79 1don s TYR 28 CO 0.02 -0.38 0.44 0.54 -1.34 0.00 0.00 175.55 174.83 1don n ARG 29 N 4.45 1.24 -1.32 4.97 1.74 -0.68 -4.86 116.66 122.20 1don n ARG 29 Ca -0.21 -4.01 -0.55 0.00 -0.77 0.00 0.00 57.85 52.31 1don n ARG 29 Cb 0.55 -2.06 -0.12 0.00 -1.02 0.00 0.00 32.46 29.81 1don n ARG 29 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1don n ARG 30 N 2.25 0.16 -1.30 5.56 0.63 -1.26 -2.85 116.66 119.86 1don n ARG 30 Ca 0.24 0.04 -0.31 0.00 -0.92 0.00 0.00 57.85 56.90 1don n ARG 30 Cb 0.40 -1.66 0.10 0.00 0.45 0.00 0.00 32.46 31.75 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 6.76 3.22 0.00 5.15 1.01 0.38 -4.89 121.20 132.83 1don s ILE 31 Ca 1.21 0.40 0.00 0.00 0.00 0.00 0.00 60.65 62.26 1don s ILE 31 Cb -1.35 -2.93 0.00 0.00 0.01 0.00 0.00 42.46 38.19 1don s ILE 31 CO 0.60 -0.52 0.00 0.35 0.00 0.00 0.00 174.94 175.37 1don n THR 32 N -3.56 0.00 -0.26 2.92 -2.24 -1.26 -3.07 114.28 106.81 1don n THR 32 Ca 0.08 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.71 1don n THR 32 Cb 0.54 0.00 0.15 0.00 -2.10 0.00 0.00 70.33 68.91 1don n THR 32 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1don n SER 33 N 0.00 -2.91 0.06 3.42 2.88 -1.26 -4.90 113.62 110.91 1don n SER 33 Ca 0.00 -0.43 0.12 0.00 -1.33 0.00 0.00 58.87 57.22 1don n SER 33 Cb 0.00 -0.59 0.07 0.00 -0.75 0.00 0.00 64.21 62.94 1don n SER 33 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1don n SER 34 N -2.91 0.69 -0.02 -3.46 7.64 -1.26 -4.08 113.62 110.22 1don n SER 34 Ca 0.07 0.07 0.04 0.00 1.01 0.00 0.00 58.87 60.06 1don n SER 34 Cb 0.30 0.47 -0.05 0.00 -1.01 0.00 0.00 64.21 63.92 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 -2.21 3.83 -1.77 1.43 4.76 -1.26 -4.98 118.16 117.96 1don n LYS 35 Ca 0.02 -0.05 -0.42 0.00 -2.87 0.00 0.00 58.31 54.98 1don n LYS 35 Cb 0.47 -0.94 -0.03 0.00 -1.84 0.00 0.00 35.03 32.69 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 9.44 0.00 -2.69 0.00 0.13 -1.93 -3.42 132.00 133.53 1don h PRO 37 Ca -0.46 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.55 1don h PRO 37 Cb 1.22 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.10 1don h PRO 37 CO 0.94 0.00 -0.26 0.15 -0.23 0.00 0.00 178.00 178.60 1don s LYS 38 N -3.91 0.44 1.17 0.86 1.02 -1.26 -5.16 119.74 112.90 1don s LYS 38 Ca -0.03 0.68 -0.19 0.00 0.02 0.00 0.00 55.97 56.45 1don s LYS 38 Cb 0.11 0.11 0.28 0.00 -0.52 0.00 0.00 37.83 37.80 1don s LYS 38 CO 0.38 -0.11 1.15 -1.21 -0.92 0.00 0.00 175.35 174.64 1don s GLU 39 N 0.81 -0.99 -0.06 1.68 8.01 -1.26 -4.63 118.70 122.26 1don s GLU 39 Ca -0.05 -0.15 -0.26 0.00 0.01 0.00 0.00 54.97 54.52 1don s GLU 39 Cb -0.06 -1.63 0.08 0.00 -4.31 0.00 0.00 34.13 28.22 1don s GLU 39 CO -0.06 -3.54 1.16 0.00 0.01 0.00 0.00 175.26 172.83 1don n ALA 40 N -4.62 -3.33 -3.80 5.21 0.00 -1.17 -4.89 120.51 107.90 1don n ALA 40 Ca 0.14 -0.64 -0.32 0.00 0.00 0.00 0.00 53.44 52.61 1don n ALA 40 Cb 0.60 0.04 -0.16 0.00 0.00 0.00 0.00 19.45 19.92 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 1.96 -1.27 0.00 1.01 -0.59 -0.47 120.40 119.03 1don s VAL 41 Ca 0.28 -0.91 -0.14 0.00 0.00 0.00 0.00 61.98 61.21 1don s VAL 41 Cb -0.00 -1.75 0.13 0.00 0.00 0.00 0.00 36.38 34.75 1don s VAL 41 CO -0.02 0.53 1.68 -0.38 0.00 0.00 0.00 175.10 176.91 1don n ILE 42 N 4.27 4.10 -1.91 2.22 2.08 -1.13 -0.88 119.36 128.11 1don n ILE 42 Ca -0.20 -4.32 -0.23 0.00 0.56 0.00 0.00 62.75 58.56 1don n ILE 42 Cb 0.51 -2.43 -0.07 0.00 -0.75 0.00 0.00 39.64 36.90 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 2.32 1.65 -0.55 1.39 0.08 -0.65 -1.69 117.98 120.54 1don s PHE 43 Ca 0.46 1.07 -0.26 0.00 0.12 0.00 0.00 56.93 58.32 1don s PHE 43 Cb 0.03 -3.81 -0.06 0.00 -0.57 0.00 0.00 43.02 38.61 1don s PHE 43 CO 0.02 -1.35 2.27 0.15 -0.10 0.00 0.00 175.22 176.21 1don s LYS 44 N 7.37 2.19 0.00 0.44 1.02 0.76 -2.23 119.74 129.28 1don s LYS 44 Ca 0.75 1.13 0.00 0.00 0.02 0.00 0.00 55.97 57.86 1don s LYS 44 Cb -0.05 -4.56 0.00 0.00 -0.52 0.00 0.00 37.83 32.69 1don s LYS 44 CO 0.09 -3.24 0.00 0.25 -0.92 0.00 0.00 175.35 171.53 1don n THR 45 N 7.86 0.00 0.00 2.17 -2.24 -1.21 0.10 114.28 120.97 1don n THR 45 Ca 0.34 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 62.08 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 -0.71 1.38 0.53 2.28 -0.00 0.20 -2.81 119.36 120.23 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 -0.87 0.16 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 0.86 -1.26 7.28 3.14 -1.26 -4.83 118.33 119.30 1don n VAL 47 Ca -0.13 -0.53 -0.09 0.00 -2.96 0.00 0.00 64.34 60.62 1don n VAL 47 Cb 0.94 -0.12 -0.04 0.00 -1.06 0.00 0.00 33.84 33.57 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 -0.13 -2.64 1.55 0.00 -1.23 -4.92 120.51 113.50 1don n ALA 48 Ca 0.12 0.14 -0.43 0.00 0.00 0.00 0.00 53.44 53.27 1don n ALA 48 Cb 0.49 -1.17 -0.01 0.00 0.00 0.00 0.00 19.45 18.76 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 -2.67 3.93 -0.29 0.00 2.20 -1.26 -4.76 119.74 116.89 1don s LYS 49 Ca 0.00 -1.94 -0.34 0.00 -0.36 0.00 0.00 55.97 53.33 1don s LYS 49 Cb 0.00 -5.42 -0.11 0.00 -1.51 0.00 0.00 37.83 30.79 1don s LYS 49 CO 0.00 -2.16 2.12 0.39 -0.36 0.00 0.00 175.35 175.33 1don n GLU 50 N 8.01 1.36 -3.74 4.03 1.02 -1.26 -3.28 120.64 126.78 1don n GLU 50 Ca 0.44 0.40 -0.38 0.00 -0.02 0.00 0.00 57.16 57.60 1don n GLU 50 Cb 0.46 -2.57 -0.12 0.00 -0.02 0.00 0.00 31.44 29.20 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 6.72 3.83 0.17 -3.67 1.01 -0.95 -4.86 121.20 123.45 1don s ILE 51 Ca 1.05 -1.15 -0.32 0.00 0.00 0.00 0.00 60.65 60.24 1don s ILE 51 Cb -0.78 -3.18 -0.10 0.00 0.01 0.00 0.00 42.46 38.40 1don s ILE 51 CO 0.49 -0.21 1.62 0.00 0.00 0.00 0.00 174.94 176.84 1don s ALA 53 N 1.32 0.93 -0.18 0.00 0.00 -0.06 -1.49 121.76 122.29 1don s ALA 53 Ca 0.72 -0.58 -0.29 0.00 0.00 0.00 0.00 51.96 51.80 1don s ALA 53 Cb -0.45 -0.19 -0.04 0.00 0.00 0.00 0.00 23.12 22.44 1don s ALA 53 CO 0.32 0.20 1.85 0.34 0.00 0.00 0.00 175.76 178.46 1don s ASP 54 N -0.62 6.13 0.34 0.00 2.15 -1.26 -1.54 116.67 121.87 1don s ASP 54 Ca 0.02 1.88 0.25 0.00 0.43 0.00 0.00 52.55 55.13 1don s ASP 54 Cb -0.06 -2.53 1.22 0.00 -0.30 0.00 0.00 42.92 41.26 1don s ASP 54 CO 0.00 -1.42 1.75 1.55 -0.17 0.00 0.00 175.17 176.87 1don h PRO 55 N 11.94 0.00 -0.49 4.34 0.13 -1.90 -1.63 132.00 144.40 1don h PRO 55 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1don h PRO 55 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1don h PRO 55 CO 0.98 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 180.38 1don n LYS 56 N -2.36 1.92 -2.42 0.86 4.76 -1.26 -4.63 118.16 115.03 1don n LYS 56 Ca -0.00 -1.02 -0.24 0.00 -2.87 0.00 0.00 58.31 54.18 1don n LYS 56 Cb 0.11 -1.42 0.06 0.00 -1.84 0.00 0.00 35.03 31.93 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 -1.64 2.28 0.05 1.97 -1.52 -0.61 -5.00 119.66 115.19 1don s GLN 57 Ca 0.18 -0.57 0.23 0.00 -1.95 0.00 0.00 55.36 53.26 1don s GLN 57 Cb 0.11 -2.32 -0.03 0.00 -0.22 0.00 0.00 33.01 30.55 1don s GLN 57 CO 0.10 -1.04 0.94 1.17 -0.25 0.00 0.00 175.29 176.20 1don n LYS 58 N -2.67 0.37 -0.04 2.91 3.00 -1.26 -3.51 118.16 116.96 1don n LYS 58 Ca 0.09 -0.02 -0.05 0.00 -0.00 0.00 0.00 58.31 58.33 1don n LYS 58 Cb 0.60 -1.61 -0.14 0.00 0.00 0.00 0.00 35.03 33.88 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 -2.07 0.42 0.91 5.64 4.27 -1.26 -3.90 117.44 121.45 1don n TRP 59 Ca 0.01 0.14 0.14 0.00 -3.89 0.00 0.00 57.50 53.90 1don n TRP 59 Cb 0.47 -0.99 0.56 0.00 -1.36 0.00 0.00 31.31 29.98 1don n TRP 59 CO 0.00 0.00 0.00 0.28 -2.29 0.00 0.00 177.69 175.68 1don n VAL 60 N -2.77 0.14 0.07 -1.67 0.31 -1.26 -1.79 118.33 111.35 1don n VAL 60 Ca -0.21 -0.07 -0.02 0.00 -0.01 0.00 0.00 64.34 64.03 1don n VAL 60 Cb 0.99 -0.49 -0.06 0.00 -0.91 0.00 0.00 33.84 33.36 1don n VAL 60 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 1don h GLN 61 N 0.00 0.00 0.05 5.55 1.08 -1.67 -0.82 115.11 119.30 1don h GLN 61 Ca 0.00 0.00 -0.30 0.00 -1.45 0.00 0.00 58.65 56.90 1don h GLN 61 Cb 0.56 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.95 1don h GLN 61 CO 0.00 0.57 -1.65 -0.44 -0.95 0.00 0.00 178.83 176.37 1don h ASP 62 N 0.00 0.17 0.05 1.46 3.32 -1.65 -3.24 116.42 116.54 1don h ASP 62 Ca -0.09 -0.31 -0.00 0.00 0.02 0.00 0.00 57.03 56.65 1don h ASP 62 Cb 1.63 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 41.12 1don h ASP 62 CO 0.08 1.27 -0.02 0.28 -1.72 0.00 0.00 179.24 179.13 1don h SER 63 N 0.03 -0.05 -0.95 6.45 0.02 -1.43 -1.47 113.55 116.15 1don h SER 63 Ca -0.27 -0.54 0.27 0.00 -0.84 0.00 0.00 61.79 60.41 1don h SER 63 Cb 1.99 0.01 -0.04 0.00 0.14 0.00 0.00 62.40 64.51 1don h SER 63 CO 0.11 0.67 0.68 0.00 -1.14 0.00 0.00 176.83 177.14 1don h MET 64 N -0.94 0.02 0.14 3.45 -0.00 -1.32 0.42 114.93 116.70 1don h MET 64 Ca -0.01 -0.00 -0.30 0.00 -0.00 0.00 0.00 59.70 59.39 1don h MET 64 Cb 0.59 -0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.19 1don h MET 64 CO 0.01 0.01 -1.46 -0.44 -0.00 0.00 0.00 176.91 175.04 1don h ASP 65 N 0.02 0.48 0.06 -0.10 5.19 -1.58 -0.09 116.42 120.40 1don h ASP 65 Ca 0.45 -0.59 -0.01 0.00 -0.62 0.00 0.00 57.03 56.27 1don h ASP 65 Cb 1.78 -0.15 -0.00 0.00 0.18 0.00 0.00 39.33 41.14 1don h ASP 65 CO -0.02 1.48 -0.03 -0.74 -3.12 0.00 0.00 179.24 176.81 1don h HIS 66 N 0.08 0.00 0.00 4.55 2.76 0.90 -0.53 115.15 122.92 1don h HIS 66 Ca -0.22 0.00 -0.30 0.00 -2.20 0.00 0.00 60.37 57.65 1don h HIS 66 Cb 2.03 0.00 -0.05 0.00 1.55 0.00 0.00 27.41 30.94 1don h HIS 66 CO 0.07 0.03 -1.98 1.28 -1.30 0.00 0.00 177.93 176.03 1don n LEU 67 N -4.03 0.45 0.07 0.26 4.77 -0.37 -2.76 117.00 115.39 1don n LEU 67 Ca -0.03 0.21 0.08 0.00 -0.03 0.00 0.00 56.01 56.25 1don n LEU 67 Cb 0.11 0.29 0.38 0.00 -2.33 0.00 0.00 43.42 41.87 1don n LEU 67 CO 0.30 0.39 0.76 -0.67 -1.33 0.00 0.00 177.39 176.84 1don n ASP 68 N -2.86 0.33 -2.63 -1.43 -0.08 -0.05 -2.61 116.55 107.22 1don n ASP 68 Ca -0.22 0.60 -0.01 0.00 -1.51 0.00 0.00 54.79 53.64 1don n ASP 68 Cb 1.05 -0.66 0.05 0.00 2.34 0.00 0.00 41.12 43.90 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 -1.88 1.68 0.00 -0.67 2.85 -0.33 -4.80 118.16 115.02 1don n LYS 69 Ca 0.02 -3.40 0.11 0.00 -1.05 0.00 0.00 58.31 53.99 1don n LYS 69 Cb 0.16 -1.49 0.06 0.00 -0.65 0.00 0.00 35.03 33.11 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 -0.50 0.47 -2.42 -1.58 10.64 -1.07 -4.42 117.38 118.49 1don n GLN 70 Ca 0.10 -0.36 -0.01 0.00 -1.83 0.00 0.00 57.00 54.90 1don n GLN 70 Cb 0.85 -1.49 0.07 0.00 -0.86 0.00 0.00 30.24 28.80 1don n GLN 70 CO 0.00 0.00 0.00 -2.37 -1.83 0.00 0.00 177.06 172.86 1don n THR 71 N -0.95 0.48 -2.96 -0.39 5.66 -1.26 -4.97 114.28 109.89 1don n THR 71 Ca 0.07 -1.62 -0.15 0.00 -3.05 0.00 0.00 64.05 59.30 1don n THR 71 Cb 0.37 1.06 0.01 0.00 -1.55 0.00 0.00 70.33 70.22 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 -0.80 0.84 -3.76 1.09 10.64 -1.26 -5.05 117.38 119.07 1don n GLN 72 Ca -0.07 -2.51 -0.34 0.00 -1.83 0.00 0.00 57.00 52.25 1don n GLN 72 Cb 0.86 -1.35 -0.10 0.00 -0.86 0.00 0.00 30.24 28.79 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 -0.49 3.55 0.66 -0.39 2.01 -1.26 -4.97 115.64 114.75 1don s THR 73 Ca 0.32 -3.36 -0.18 0.00 0.31 0.00 0.00 61.69 58.79 1don s THR 73 Cb 0.24 -3.31 -0.00 0.00 0.01 0.00 0.00 72.50 69.44 1don s THR 73 CO -0.14 -0.92 1.29 -2.84 -0.69 0.00 0.00 174.62 171.32 1don s PRO 74 N -0.52 2.46 -0.45 4.92 0.02 -1.26 -4.09 135.00 136.08 1don s PRO 74 Ca 0.20 2.05 -0.08 0.00 0.02 0.00 0.00 61.00 63.19 1don s PRO 74 Cb -0.17 -1.83 0.01 0.00 0.02 0.00 0.00 34.50 32.52 1don s PRO 74 CO -0.06 -1.67 0.52 1.63 -0.33 0.00 0.00 177.00 177.09 1don n LYS 75 N -2.03 -1.61 0.00 5.54 5.02 -1.26 -5.30 118.16 118.52 1don n LYS 75 Ca 0.16 1.63 0.02 0.00 -2.02 0.00 0.00 58.31 58.09 1don n LYS 75 Cb 0.48 -4.94 0.01 0.00 -0.02 0.00 0.00 35.03 30.56 1don n LYS 75 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51