#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 1.71 -0.38 -1.09 0.04 -1.26 -4.80 135.00 129.23 1don s PRO 2 Ca 0.00 0.48 -0.04 0.00 0.04 0.00 0.00 61.00 61.48 1don s PRO 2 Cb 0.00 -4.79 -0.01 0.00 0.04 0.00 0.00 34.50 29.73 1don s PRO 2 CO 0.00 -4.29 2.96 -0.25 0.04 0.00 0.00 177.00 175.46 1don n ASP 3 N 18.13 6.24 -2.72 6.66 8.00 -1.26 -4.27 116.55 147.32 1don n ASP 3 Ca 0.46 -3.04 -0.08 0.00 0.71 0.00 0.00 54.79 52.84 1don n ASP 3 Cb 0.44 -1.28 0.09 0.00 -0.02 0.00 0.00 41.12 40.36 1don n ASP 3 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1don n ALA 4 N 1.27 -0.73 0.50 2.24 0.00 -1.26 -4.96 120.51 117.58 1don n ALA 4 Ca 0.48 -1.32 0.11 0.00 0.00 0.00 0.00 53.44 52.72 1don n ALA 4 Cb 0.63 -1.31 0.05 0.00 0.00 0.00 0.00 19.45 18.82 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 0.21 0.25 -1.89 0.00 5.41 -1.26 -4.25 119.36 117.83 1don n ILE 5 Ca 0.03 -0.29 -0.39 0.00 1.00 0.00 0.00 62.75 63.10 1don n ILE 5 Cb 0.73 0.06 -0.01 0.00 -0.71 0.00 0.00 39.64 39.71 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 -2.08 8.06 -4.70 4.38 6.94 -1.26 -4.94 115.26 121.66 1don n ASN 6 Ca 0.02 -3.08 -0.35 0.00 -0.02 0.00 0.00 54.58 51.14 1don n ASN 6 Cb 0.45 -1.38 -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 -0.83 3.44 -0.58 -2.53 0.00 -1.26 -5.02 121.76 114.98 1don s ALA 7 Ca 0.56 -0.75 -0.26 0.00 0.00 0.00 0.00 51.96 51.51 1don s ALA 7 Cb 0.19 -1.71 -0.04 0.00 0.00 0.00 0.00 23.12 21.56 1don s ALA 7 CO -0.10 0.47 2.06 -1.25 0.00 0.00 0.00 175.76 176.94 1don s PRO 8 N -0.52 2.42 -0.38 0.00 0.04 -1.26 -4.91 135.00 130.39 1don s PRO 8 Ca 0.10 0.85 -0.22 0.00 0.04 0.00 0.00 61.00 61.77 1don s PRO 8 Cb -0.12 -4.49 0.01 0.00 0.04 0.00 0.00 34.50 29.94 1don s PRO 8 CO 0.02 -2.98 0.71 0.54 0.04 0.00 0.00 177.00 175.33 1don s VAL 9 N 10.31 4.80 -0.48 -0.36 0.11 -1.26 -5.00 120.40 128.52 1don s VAL 9 Ca 0.78 0.61 -0.29 0.00 -2.93 0.00 0.00 61.98 60.15 1don s VAL 9 Cb -0.14 -4.17 0.02 0.00 -1.53 0.00 0.00 36.38 30.56 1don s VAL 9 CO 0.21 -0.44 1.27 -0.89 -3.33 0.00 0.00 175.10 171.93 1don s THR 10 N 2.93 4.03 0.00 5.04 2.01 -1.26 -4.96 115.64 123.43 1don s THR 10 Ca 0.27 1.02 0.00 0.00 0.31 0.00 0.00 61.69 63.30 1don s THR 10 Cb -0.14 -4.46 0.00 0.00 0.01 0.00 0.00 72.50 67.91 1don s THR 10 CO 0.17 -0.98 0.00 0.00 -0.69 0.00 0.00 174.62 173.12 1don n TYR 13 N -0.30 0.00 -4.01 0.00 4.01 -1.26 -4.94 117.16 110.66 1don n TYR 13 Ca 0.00 0.00 -0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1don n TYR 13 Cb 0.24 0.02 -0.00 0.00 -0.31 0.00 0.00 39.34 39.29 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 -1.61 1.77 -3.61 7.72 3.02 -1.26 -5.15 115.26 116.13 1don n ASN 14 Ca 0.00 -1.02 -0.08 0.00 -0.03 0.00 0.00 54.58 53.45 1don n ASN 14 Cb 0.03 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.11 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 -1.13 -0.83 -0.80 3.10 0.08 -1.26 -4.70 117.98 112.44 1don s PHE 15 Ca 0.00 1.47 -0.26 0.00 0.12 0.00 0.00 56.93 58.26 1don s PHE 15 Cb 0.00 0.29 -0.17 0.00 -0.57 0.00 0.00 43.02 42.57 1don s PHE 15 CO 0.00 -0.52 2.51 -2.37 -0.10 0.00 0.00 175.22 174.74 1don n THR 16 N 5.39 -0.03 0.99 0.64 5.66 -0.61 -4.70 114.28 121.62 1don n THR 16 Ca -0.08 -0.40 0.09 0.00 -3.05 0.00 0.00 64.05 60.61 1don n THR 16 Cb 0.49 -1.41 0.28 0.00 -1.55 0.00 0.00 70.33 68.15 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 12.66 1.92 -4.76 1.09 5.15 -1.26 -4.62 115.26 125.44 1don n ASN 17 Ca 0.54 -1.85 -0.37 0.00 -0.60 0.00 0.00 54.58 52.30 1don n ASN 17 Cb 0.27 -0.18 -0.07 0.00 -0.53 0.00 0.00 39.78 39.27 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 -1.64 4.16 -0.78 1.20 0.52 -1.26 -4.95 118.95 116.19 1don s ARG 18 Ca 0.30 0.21 -0.23 0.00 -0.52 0.00 0.00 55.73 55.48 1don s ARG 18 Cb 0.16 -3.38 -0.17 0.00 0.52 0.00 0.00 34.95 32.08 1don s ARG 18 CO 0.23 0.34 2.39 1.63 0.02 0.00 0.00 175.30 179.90 1don n LYS 19 N 3.18 0.51 -2.72 3.54 5.02 -1.26 -4.86 118.16 121.57 1don n LYS 19 Ca -0.12 -0.43 -0.42 0.00 -2.02 0.00 0.00 58.31 55.32 1don n LYS 19 Cb 0.52 -2.94 -0.03 0.00 -0.02 0.00 0.00 35.03 32.57 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 10.93 4.84 -0.06 -0.18 1.01 -1.26 -4.95 121.20 131.54 1don s ILE 20 Ca 1.05 2.02 -0.38 0.00 0.00 0.00 0.00 60.65 63.34 1don s ILE 20 Cb -0.38 -4.30 -0.17 0.00 0.01 0.00 0.00 42.46 37.62 1don s ILE 20 CO 0.25 0.10 1.47 -0.24 0.00 0.00 0.00 174.94 176.52 1don n SER 21 N 4.36 1.79 0.34 3.58 2.88 -1.26 -4.75 113.62 120.55 1don n SER 21 Ca 0.07 1.11 0.18 0.00 -1.33 0.00 0.00 58.87 58.90 1don n SER 21 Cb 0.50 -1.15 0.96 0.00 -0.75 0.00 0.00 64.21 63.77 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 4.00 0.00 -0.23 2.46 3.04 -1.95 0.52 116.25 124.09 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 0.78 -0.01 0.00 -2.01 0.00 0.00 31.29 31.39 1don h VAL 22 CO 0.84 0.00 -0.08 0.06 -1.01 0.00 0.00 177.57 177.37 1don h GLN 23 N 0.00 0.46 -0.34 4.17 3.07 -2.01 -2.68 115.11 117.78 1don h GLN 23 Ca 0.00 -0.19 0.07 0.00 0.09 0.00 0.00 58.65 58.62 1don h GLN 23 Cb 0.44 -0.02 -0.02 0.00 0.08 0.00 0.00 27.48 27.96 1don h GLN 23 CO -0.00 0.72 0.24 0.00 0.09 0.00 0.00 178.83 179.88 1don h ARG 24 N 0.19 0.15 -5.91 0.06 2.47 -1.23 -3.37 114.38 106.75 1don h ARG 24 Ca 0.06 -0.01 -0.43 0.00 -1.26 0.00 0.00 59.98 58.34 1don h ARG 24 Cb 0.56 -0.03 -0.05 0.00 -1.65 0.00 0.00 29.97 28.80 1don h ARG 24 CO 0.03 0.10 1.10 -0.51 0.56 0.00 0.00 179.97 181.25 1don s LEU 25 N -9.09 3.24 0.34 3.04 1.43 -1.01 -0.72 118.68 115.91 1don s LEU 25 Ca -0.06 -0.21 0.26 0.00 -1.03 0.00 0.00 54.13 53.09 1don s LEU 25 Cb 0.18 -2.55 0.92 0.00 0.03 0.00 0.00 46.19 44.78 1don s LEU 25 CO 0.71 -2.44 1.77 0.00 0.23 0.00 0.00 176.35 176.62 1don h ALA 26 N 12.91 1.00 -2.26 4.21 0.00 0.04 -3.47 119.26 131.69 1don h ALA 26 Ca -0.09 0.00 0.25 0.00 0.00 0.00 0.00 54.91 55.06 1don h ALA 26 Cb 1.08 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.82 1don h ALA 26 CO 1.23 0.00 0.72 -1.54 0.00 0.00 0.00 179.25 179.66 1don s SER 27 N -4.94 -0.01 -0.17 0.00 1.04 -0.31 -4.97 113.70 104.34 1don s SER 27 Ca 0.06 -0.43 -0.14 0.00 0.48 0.00 0.00 55.95 55.92 1don s SER 27 Cb 0.09 0.33 0.05 0.00 0.10 0.00 0.00 66.02 66.59 1don s SER 27 CO 0.53 -0.65 0.44 -0.47 0.98 0.00 0.00 173.24 174.07 1don s TYR 28 N -2.20 -0.52 -0.42 5.02 6.14 -1.25 -1.56 117.35 122.56 1don s TYR 28 Ca 0.23 1.22 0.02 0.00 0.64 0.00 0.00 57.07 59.19 1don s TYR 28 Cb -0.01 0.19 0.15 0.00 0.42 0.00 0.00 41.96 42.71 1don s TYR 28 CO 0.02 -0.26 0.29 1.03 0.64 0.00 0.00 175.55 177.27 1don s ARG 29 N 0.44 0.98 -0.36 4.97 0.52 -0.28 -4.90 118.95 120.32 1don s ARG 29 Ca -0.02 -1.93 -0.33 0.00 -0.52 0.00 0.00 55.73 52.94 1don s ARG 29 Cb -0.04 -1.69 -0.10 0.00 0.52 0.00 0.00 34.95 33.64 1don s ARG 29 CO -0.02 -1.28 2.24 -2.13 0.02 0.00 0.00 175.30 174.13 1don n ARG 30 N 3.29 1.22 -2.44 3.54 0.63 -1.26 -1.91 116.66 119.73 1don n ARG 30 Ca 0.19 0.30 -0.36 0.00 -0.92 0.00 0.00 57.85 57.06 1don n ARG 30 Cb 0.41 -2.68 -0.03 0.00 0.45 0.00 0.00 32.46 30.61 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 8.07 3.51 -0.02 5.15 1.01 0.38 -4.87 121.20 134.43 1don s ILE 31 Ca 1.08 1.13 0.01 0.00 0.00 0.00 0.00 60.65 62.86 1don s ILE 31 Cb -0.70 -3.56 0.03 0.00 0.01 0.00 0.00 42.46 38.24 1don s ILE 31 CO 0.44 -0.03 0.50 0.35 0.00 0.00 0.00 174.94 176.20 1don n THR 32 N -0.31 0.00 -1.36 2.92 -2.24 -1.26 -2.06 114.28 109.97 1don n THR 32 Ca 0.06 -0.07 -0.35 0.00 -2.27 0.00 0.00 64.05 61.42 1don n THR 32 Cb 0.49 0.29 0.09 0.00 -2.10 0.00 0.00 70.33 69.11 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 -0.11 0.95 0.00 3.42 2.88 -1.26 -4.83 113.62 114.66 1don n SER 33 Ca -0.10 0.68 0.07 0.00 -1.33 0.00 0.00 58.87 58.18 1don n SER 33 Cb 0.47 -1.47 0.35 0.00 -0.75 0.00 0.00 64.21 62.81 1don n SER 33 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1don n SER 34 N -2.16 0.00 -0.00 -3.46 3.41 -1.26 -2.28 113.62 107.86 1don n SER 34 Ca 0.14 0.28 0.08 0.00 -0.26 0.00 0.00 58.87 59.11 1don n SER 34 Cb 0.49 -0.39 -0.11 0.00 -0.26 0.00 0.00 64.21 63.95 1don n SER 34 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1don n LYS 35 N -1.39 1.19 -2.46 4.33 0.00 -1.26 -4.94 118.16 113.62 1don n LYS 35 Ca 0.05 -0.05 -0.42 0.00 0.00 0.00 0.00 58.31 57.90 1don n LYS 35 Cb 0.14 -1.33 -0.03 0.00 0.00 0.00 0.00 35.03 33.82 1don n LYS 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1don h PRO 37 N 6.87 0.00 -2.75 0.00 0.13 -1.92 -3.43 132.00 130.91 1don h PRO 37 Ca -0.41 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.60 1don h PRO 37 Cb 1.21 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 32.08 1don h PRO 37 CO 0.81 0.03 -0.30 0.15 -0.23 0.00 0.00 178.00 178.47 1don s LYS 38 N -4.09 0.40 0.89 0.86 1.02 -1.26 -5.16 119.74 112.40 1don s LYS 38 Ca -0.03 0.65 -0.15 0.00 0.02 0.00 0.00 55.97 56.47 1don s LYS 38 Cb 0.12 0.08 0.23 0.00 -0.52 0.00 0.00 37.83 37.74 1don s LYS 38 CO 0.50 -0.11 0.63 0.39 -0.92 0.00 0.00 175.35 175.84 1don n GLU 39 N 3.62 -3.23 -3.04 1.68 1.02 -1.26 -4.63 120.64 114.80 1don n GLU 39 Ca -0.19 -1.03 0.00 0.00 -0.02 0.00 0.00 57.16 55.92 1don n GLU 39 Cb 0.56 -1.16 0.00 0.00 -0.02 0.00 0.00 31.44 30.82 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 -4.57 0.00 -3.75 0.62 0.00 -0.87 -4.91 120.51 107.04 1don n ALA 40 Ca -0.13 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.03 1don n ALA 40 Cb 0.39 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.67 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 -2.23 0.61 -1.04 0.00 1.01 -0.83 -0.47 120.40 117.44 1don s VAL 41 Ca 0.00 -0.69 -0.23 0.00 0.00 0.00 0.00 61.98 61.07 1don s VAL 41 Cb 0.00 -1.14 0.00 0.00 0.00 0.00 0.00 36.38 35.24 1don s VAL 41 CO 0.00 -0.26 1.71 -0.63 0.00 0.00 0.00 175.10 175.92 1don s ILE 42 N 1.81 3.75 -1.27 2.22 1.01 -0.80 -0.88 121.20 127.04 1don s ILE 42 Ca -0.00 -0.81 -0.19 0.00 0.00 0.00 0.00 60.65 59.65 1don s ILE 42 Cb -0.17 -4.68 0.03 0.00 0.01 0.00 0.00 42.46 37.65 1don s ILE 42 CO -0.10 -1.52 1.80 0.49 0.00 0.00 0.00 174.94 175.61 1don n PHE 43 N 11.13 4.14 -1.54 3.97 3.72 -0.68 -1.13 117.46 137.07 1don n PHE 43 Ca 0.39 -2.49 -0.36 0.00 -0.05 0.00 0.00 57.45 54.94 1don n PHE 43 Cb 0.48 -2.63 -0.06 0.00 -0.94 0.00 0.00 39.48 36.34 1don n PHE 43 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1don n LYS 44 N 8.31 0.82 0.00 -1.08 5.02 -0.60 -2.55 118.16 128.08 1don n LYS 44 Ca 0.48 -0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.73 1don n LYS 44 Cb 0.46 -3.09 0.00 0.00 -0.02 0.00 0.00 35.03 32.38 1don n LYS 44 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1don n THR 45 N 7.92 0.00 -0.02 -0.18 -2.24 -1.21 0.36 114.28 118.91 1don n THR 45 Ca 0.43 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 62.15 1don n THR 45 Cb 0.45 -0.01 -0.13 0.00 -2.10 0.00 0.00 70.33 68.54 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 -0.50 1.38 0.41 2.28 -0.00 0.10 -2.90 119.36 120.14 1don n ILE 46 Ca 0.00 -0.77 0.04 0.00 -0.00 0.00 0.00 62.75 62.02 1don n ILE 46 Cb 0.00 -0.80 0.17 0.00 -0.00 0.00 0.00 39.64 39.01 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 -2.91 0.98 -1.26 7.28 3.14 -1.26 -4.83 118.33 119.46 1don n VAL 47 Ca -0.17 -0.56 -0.09 0.00 -2.96 0.00 0.00 64.34 60.56 1don n VAL 47 Cb 0.99 -0.21 -0.04 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 0.33 -0.14 -2.59 1.55 0.00 -1.24 -4.91 120.51 113.51 1don n ALA 48 Ca 0.12 0.15 -0.43 0.00 0.00 0.00 0.00 53.44 53.27 1don n ALA 48 Cb 0.55 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.80 1don n ALA 48 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1don n LYS 49 N -2.56 3.22 -1.62 0.00 4.81 -1.26 -4.77 118.16 115.99 1don n LYS 49 Ca -0.09 -3.37 -0.52 0.00 -0.87 0.00 0.00 58.31 53.46 1don n LYS 49 Cb 0.32 -3.36 -0.06 0.00 0.02 0.00 0.00 35.03 31.95 1don n LYS 49 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1don n GLU 50 N 7.45 1.49 -3.91 1.64 1.02 -1.26 -3.30 120.64 123.77 1don n GLU 50 Ca 0.46 0.51 -0.34 0.00 -0.02 0.00 0.00 57.16 57.78 1don n GLU 50 Cb 0.44 -2.41 -0.13 0.00 -0.02 0.00 0.00 31.44 29.32 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 4.91 2.80 0.17 -3.67 1.01 -1.06 -4.83 121.20 120.53 1don s ILE 51 Ca 1.00 -1.93 -0.32 0.00 0.00 0.00 0.00 60.65 59.40 1don s ILE 51 Cb -0.87 -2.85 -0.12 0.00 0.01 0.00 0.00 42.46 38.64 1don s ILE 51 CO 0.56 -0.44 1.77 0.00 0.00 0.00 0.00 174.94 176.83 1don s ALA 53 N 1.89 1.33 -0.16 0.00 0.00 -0.05 -1.57 121.76 123.20 1don s ALA 53 Ca 0.79 -0.78 -0.29 0.00 0.00 0.00 0.00 51.96 51.68 1don s ALA 53 Cb -0.50 -0.28 -0.05 0.00 0.00 0.00 0.00 23.12 22.28 1don s ALA 53 CO 0.35 0.30 2.04 0.34 0.00 0.00 0.00 175.76 178.79 1don s ASP 54 N -0.74 5.87 0.43 0.00 2.15 -1.26 -1.97 116.67 121.15 1don s ASP 54 Ca 0.05 2.02 0.30 0.00 0.43 0.00 0.00 52.55 55.35 1don s ASP 54 Cb -0.07 -2.52 1.48 0.00 -0.30 0.00 0.00 42.92 41.51 1don s ASP 54 CO 0.00 -1.61 1.90 1.55 -0.17 0.00 0.00 175.17 176.84 1don h PRO 55 N 13.17 0.00 -0.67 4.34 0.13 -1.91 -1.50 132.00 145.55 1don h PRO 55 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1don h PRO 55 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1don h PRO 55 CO 0.97 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 180.37 1don n LYS 56 N -2.58 2.63 -2.44 0.86 4.01 -1.26 -4.64 118.16 114.74 1don n LYS 56 Ca -0.01 -1.49 -0.24 0.00 -0.51 0.00 0.00 58.31 56.07 1don n LYS 56 Cb 0.12 -1.71 0.07 0.00 -0.51 0.00 0.00 35.03 33.00 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 -1.77 2.20 0.05 1.97 -1.52 -0.57 -5.00 119.66 115.02 1don s GLN 57 Ca 0.26 -0.62 0.23 0.00 -1.95 0.00 0.00 55.36 53.28 1don s GLN 57 Cb 0.18 -2.32 -0.05 0.00 -0.22 0.00 0.00 33.01 30.61 1don s GLN 57 CO 0.10 -1.09 0.92 1.17 -0.25 0.00 0.00 175.29 176.14 1don n LYS 58 N -2.69 0.36 -0.03 2.91 3.00 -1.26 -3.43 118.16 117.02 1don n LYS 58 Ca 0.09 -0.02 -0.03 0.00 -0.00 0.00 0.00 58.31 58.35 1don n LYS 58 Cb 0.60 -1.60 -0.14 0.00 0.00 0.00 0.00 35.03 33.90 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 -2.06 0.40 0.89 5.64 4.27 -1.26 -3.87 117.44 121.45 1don n TRP 59 Ca 0.01 0.14 0.13 0.00 -3.89 0.00 0.00 57.50 53.89 1don n TRP 59 Cb 0.46 -0.95 0.49 0.00 -1.36 0.00 0.00 31.31 29.95 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 -2.73 0.15 0.10 -1.67 0.31 -1.26 -1.85 118.33 111.39 1don n VAL 60 Ca -0.19 -0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.07 1don n VAL 60 Cb 0.94 -0.37 -0.02 0.00 -0.91 0.00 0.00 33.84 33.47 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 0.08 5.55 1.08 -1.66 -0.66 115.11 119.49 1don h GLN 61 Ca 0.00 0.00 -0.34 0.00 -1.45 0.00 0.00 58.65 56.86 1don h GLN 61 Cb 0.57 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.97 1don h GLN 61 CO 0.00 0.55 -1.93 -3.47 -0.95 0.00 0.00 178.83 173.04 1don n ASP 62 N -3.19 1.70 -0.01 1.46 2.03 -1.16 -3.56 116.55 113.83 1don n ASP 62 Ca -0.01 0.26 -0.11 0.00 0.52 0.00 0.00 54.79 55.45 1don n ASP 62 Cb 0.80 -0.58 -0.09 0.00 -0.72 0.00 0.00 41.12 40.53 1don n ASP 62 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1don h SER 63 N 0.05 -0.07 -0.58 1.67 0.02 -1.45 -1.92 113.55 111.26 1don h SER 63 Ca -0.39 -0.56 0.17 0.00 -0.84 0.00 0.00 61.79 60.17 1don h SER 63 Cb 2.03 0.02 -0.02 0.00 0.14 0.00 0.00 62.40 64.57 1don h SER 63 CO 0.08 0.60 0.53 -0.03 -1.14 0.00 0.00 176.83 176.87 1don h MET 64 N -0.83 0.00 0.17 3.45 1.85 -1.31 0.40 114.93 118.65 1don h MET 64 Ca -0.01 0.00 -0.31 0.00 -0.61 0.00 0.00 59.70 58.77 1don h MET 64 Cb 0.63 0.00 0.01 0.00 0.43 0.00 0.00 31.60 32.67 1don h MET 64 CO 0.01 0.00 -1.45 -0.44 -0.40 0.00 0.00 176.91 174.63 1don h ASP 65 N 0.00 0.56 -0.71 1.39 3.32 -1.59 -0.79 116.42 118.59 1don h ASP 65 Ca 0.27 -0.66 0.03 0.00 0.02 0.00 0.00 57.03 56.69 1don h ASP 65 Cb 1.33 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 40.66 1don h ASP 65 CO -0.00 1.53 0.47 -0.74 -1.72 0.00 0.00 179.24 178.78 1don h HIS 66 N 0.10 0.84 0.02 4.55 2.76 0.58 0.67 115.15 124.68 1don h HIS 66 Ca -0.22 0.02 -0.24 0.00 -2.20 0.00 0.00 60.37 57.73 1don h HIS 66 Cb 2.06 -0.28 -0.03 0.00 1.55 0.00 0.00 27.41 30.71 1don h HIS 66 CO 0.09 0.50 -1.20 -0.07 -1.30 0.00 0.00 177.93 175.94 1don h LEU 67 N 0.88 0.06 -0.28 0.26 3.38 -1.28 -2.15 115.31 116.19 1don h LEU 67 Ca 0.28 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1don h LEU 67 Cb 0.04 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1don h LEU 67 CO -0.08 1.06 0.00 -0.67 0.09 0.00 0.00 178.44 178.85 1don n ASP 68 N -3.31 0.19 -2.46 -0.43 -0.08 -0.30 -2.65 116.55 107.50 1don n ASP 68 Ca -0.05 0.56 -0.02 0.00 -1.51 0.00 0.00 54.79 53.77 1don n ASP 68 Cb 0.98 -0.60 0.05 0.00 2.34 0.00 0.00 41.12 43.89 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 -1.72 1.64 -0.61 -0.67 2.85 0.08 -4.79 118.16 114.93 1don n LYS 69 Ca 0.02 -3.32 -0.01 0.00 -1.05 0.00 0.00 58.31 53.95 1don n LYS 69 Cb 0.13 -1.41 -0.01 0.00 -0.65 0.00 0.00 35.03 33.10 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 -0.44 0.00 0.00 -1.58 -0.00 -0.83 -4.88 117.38 109.66 1don n GLN 70 Ca 0.11 -0.49 0.12 0.00 -0.00 0.00 0.00 57.00 56.74 1don n GLN 70 Cb 0.87 -0.08 0.12 0.00 -0.00 0.00 0.00 30.24 31.15 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 0.03 0.00 -2.72 -0.39 5.66 -1.23 -4.93 114.28 110.69 1don n THR 71 Ca -0.03 -0.24 -0.25 0.00 -3.05 0.00 0.00 64.05 60.48 1don n THR 71 Cb 0.61 1.02 0.01 0.00 -1.55 0.00 0.00 70.33 70.43 1don n THR 71 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1don s GLN 72 N -2.45 3.13 0.11 1.09 -2.07 -1.26 -5.06 119.66 113.16 1don s GLN 72 Ca 0.21 -0.16 -0.23 0.00 -1.82 0.00 0.00 55.36 53.36 1don s GLN 72 Cb 0.19 -2.42 -0.07 0.00 -1.09 0.00 0.00 33.01 29.61 1don s GLN 72 CO 0.54 -0.39 0.69 0.99 -1.32 0.00 0.00 175.29 175.79 1don s THR 73 N -2.74 4.57 1.25 3.63 2.01 -1.26 -5.05 115.64 118.05 1don s THR 73 Ca 0.50 1.49 -0.16 0.00 0.31 0.00 0.00 61.69 63.83 1don s THR 73 Cb -0.10 -4.03 0.31 0.00 0.01 0.00 0.00 72.50 68.69 1don s THR 73 CO 0.42 0.52 1.00 -2.84 -0.69 0.00 0.00 174.62 173.02 1don s PRO 74 N -1.00 -1.59 0.49 4.92 0.02 -1.26 -5.06 135.00 131.52 1don s PRO 74 Ca 0.33 0.62 0.02 0.00 0.02 0.00 0.00 61.00 61.98 1don s PRO 74 Cb -0.21 -1.49 -0.02 0.00 0.02 0.00 0.00 34.50 32.80 1don s PRO 74 CO 0.23 -4.11 0.03 -1.59 -0.33 0.00 0.00 177.00 171.23 1don s LYS 75 N -4.62 2.14 0.00 5.54 -2.85 -1.26 -5.29 119.74 113.40 1don s LYS 75 Ca 0.69 -2.35 0.00 0.00 -1.00 0.00 0.00 55.97 53.30 1don s LYS 75 Cb -0.22 -1.32 0.00 0.00 -2.06 0.00 0.00 37.83 34.23 1don s LYS 75 CO 0.63 -0.39 0.10 0.25 0.10 0.00 0.00 175.35 176.05