#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 1.57 -0.40 -1.09 0.02 -1.26 -4.78 135.00 129.06 1don s PRO 2 Ca 0.00 0.15 -0.04 0.00 0.02 0.00 0.00 61.00 61.13 1don s PRO 2 Cb 0.00 -4.87 0.04 0.00 0.02 0.00 0.00 34.50 29.69 1don s PRO 2 CO 0.00 -4.66 2.82 -0.25 -0.33 0.00 0.00 177.00 174.58 1don n ASP 3 N 18.56 6.34 -2.68 2.53 8.00 -1.26 -4.46 116.55 143.58 1don n ASP 3 Ca 0.45 -3.12 -0.03 0.00 0.71 0.00 0.00 54.79 52.80 1don n ASP 3 Cb 0.44 -1.24 0.03 0.00 -0.02 0.00 0.00 41.12 40.33 1don n ASP 3 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1don s ALA 4 N -1.44 -4.48 -0.66 2.24 0.00 -1.26 -5.02 121.76 111.14 1don s ALA 4 Ca 0.58 0.65 0.20 0.00 0.00 0.00 0.00 51.96 53.39 1don s ALA 4 Cb 0.37 -2.99 -0.25 0.00 0.00 0.00 0.00 23.12 20.25 1don s ALA 4 CO -0.19 -2.53 0.73 -0.89 0.00 0.00 0.00 175.76 172.89 1don n ILE 5 N 2.69 0.00 -2.05 0.00 5.41 -1.26 -4.46 119.36 119.69 1don n ILE 5 Ca 0.11 -0.17 -0.41 0.00 1.00 0.00 0.00 62.75 63.29 1don n ILE 5 Cb 0.65 0.69 -0.00 0.00 -0.71 0.00 0.00 39.64 40.26 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 -1.72 7.44 -4.60 4.38 6.94 -1.26 -4.93 115.26 121.51 1don n ASN 6 Ca 0.01 -3.12 -0.34 0.00 -0.02 0.00 0.00 54.58 51.12 1don n ASN 6 Cb 0.39 -1.39 -0.11 0.00 -2.36 0.00 0.00 39.78 36.31 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 -0.73 3.03 -0.58 -2.53 0.00 -1.26 -5.04 121.76 114.66 1don s ALA 7 Ca 0.51 -0.89 -0.27 0.00 0.00 0.00 0.00 51.96 51.32 1don s ALA 7 Cb 0.17 -1.26 -0.03 0.00 0.00 0.00 0.00 23.12 22.00 1don s ALA 7 CO -0.07 0.58 1.95 -1.25 0.00 0.00 0.00 175.76 176.97 1don s PRO 8 N -0.89 2.58 -0.80 0.00 0.04 -1.26 -4.90 135.00 129.78 1don s PRO 8 Ca 0.13 0.79 -0.21 0.00 0.04 0.00 0.00 61.00 61.75 1don s PRO 8 Cb -0.11 -4.41 0.09 0.00 0.04 0.00 0.00 34.50 30.11 1don s PRO 8 CO 0.02 -2.77 1.08 0.54 0.04 0.00 0.00 177.00 175.91 1don s VAL 9 N 9.47 4.43 -0.27 -0.36 0.11 -1.26 -4.97 120.40 127.55 1don s VAL 9 Ca 0.73 -0.85 -0.28 0.00 -2.93 0.00 0.00 61.98 58.65 1don s VAL 9 Cb -0.14 -4.76 -0.05 0.00 -1.53 0.00 0.00 36.38 29.89 1don s VAL 9 CO 0.22 -1.53 2.26 0.41 -3.33 0.00 0.00 175.10 173.13 1don n THR 10 N 5.86 0.27 -4.42 5.04 -1.04 -1.26 -4.88 114.28 113.84 1don n THR 10 Ca 0.10 -0.52 -0.22 0.00 -2.04 0.00 0.00 64.05 61.38 1don n THR 10 Cb 0.47 -2.59 -0.07 0.00 -1.82 0.00 0.00 70.33 66.33 1don n THR 10 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1don n TYR 13 N -0.87 0.00 -4.24 0.00 4.01 -1.26 -4.93 117.16 109.88 1don n TYR 13 Ca -0.13 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.50 1don n TYR 13 Cb 0.46 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.47 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 -1.74 1.97 -3.66 7.72 3.02 -1.26 -5.16 115.26 116.15 1don n ASN 14 Ca 0.00 -1.79 -0.10 0.00 -0.03 0.00 0.00 54.58 52.67 1don n ASN 14 Cb 0.15 0.22 -0.10 0.00 -0.61 0.00 0.00 39.78 39.43 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 -1.81 -0.70 -0.67 3.10 0.08 -1.26 -4.70 117.98 112.02 1don s PHE 15 Ca 0.03 1.39 -0.30 0.00 0.12 0.00 0.00 56.93 58.17 1don s PHE 15 Cb 0.00 0.22 -0.14 0.00 -0.57 0.00 0.00 43.02 42.54 1don s PHE 15 CO 0.02 -0.45 2.49 -2.37 -0.10 0.00 0.00 175.22 174.81 1don n THR 16 N 5.34 -0.00 0.96 0.64 5.66 -0.46 -4.72 114.28 121.70 1don n THR 16 Ca -0.09 -0.38 0.11 0.00 -3.05 0.00 0.00 64.05 60.64 1don n THR 16 Cb 0.50 -1.65 0.32 0.00 -1.55 0.00 0.00 70.33 67.94 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 12.59 2.17 -4.77 1.09 2.85 -1.26 -4.61 115.26 123.33 1don n ASN 17 Ca 0.50 -1.80 -0.38 0.00 -0.11 0.00 0.00 54.58 52.78 1don n ASN 17 Cb 0.28 -0.15 -0.06 0.00 1.24 0.00 0.00 39.78 41.09 1don n ASN 17 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 1don s ARG 18 N -1.70 4.21 -0.79 1.20 0.52 -1.26 -4.94 118.95 116.19 1don s ARG 18 Ca 0.33 0.50 -0.23 0.00 -0.52 0.00 0.00 55.73 55.82 1don s ARG 18 Cb 0.19 -3.35 -0.17 0.00 0.52 0.00 0.00 34.95 32.14 1don s ARG 18 CO 0.27 0.38 2.39 1.63 0.02 0.00 0.00 175.30 179.99 1don n LYS 19 N 2.85 0.49 -2.49 3.54 5.02 -1.26 -4.84 118.16 121.48 1don n LYS 19 Ca -0.09 -0.40 -0.43 0.00 -2.02 0.00 0.00 58.31 55.36 1don n LYS 19 Cb 0.52 -2.87 -0.02 0.00 -0.02 0.00 0.00 35.03 32.64 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 10.63 4.32 0.10 -0.18 1.01 -1.26 -4.94 121.20 130.87 1don s ILE 20 Ca 1.07 1.55 -0.36 0.00 0.00 0.00 0.00 60.65 62.90 1don s ILE 20 Cb -0.40 -4.16 -0.17 0.00 0.01 0.00 0.00 42.46 37.74 1don s ILE 20 CO 0.26 -0.31 1.17 -0.24 0.00 0.00 0.00 174.94 175.82 1don n SER 21 N 6.97 0.94 0.32 3.58 2.88 -1.26 -4.76 113.62 122.29 1don n SER 21 Ca 0.14 1.14 0.16 0.00 -1.33 0.00 0.00 58.87 58.98 1don n SER 21 Cb 0.46 -1.11 0.85 0.00 -0.75 0.00 0.00 64.21 63.66 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 2.91 0.02 -0.17 2.46 3.04 -1.93 0.71 116.25 123.29 1don h VAL 22 Ca -0.46 0.00 -0.07 0.00 -1.01 0.00 0.00 66.70 65.16 1don h VAL 22 Cb 1.37 0.69 -0.00 0.00 -2.01 0.00 0.00 31.29 31.34 1don h VAL 22 CO 0.71 0.00 -0.17 -0.61 -1.01 0.00 0.00 177.57 176.49 1don h GLN 23 N 0.00 0.41 0.00 4.17 4.15 -2.01 -2.88 115.11 118.95 1don h GLN 23 Ca 0.01 -0.22 -0.04 0.00 0.77 0.00 0.00 58.65 59.17 1don h GLN 23 Cb 0.63 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.32 1don h GLN 23 CO -0.00 0.78 -0.17 0.00 -1.93 0.00 0.00 178.83 177.51 1don h ARG 24 N 0.06 0.00 -6.18 1.69 2.47 -1.19 -3.39 114.38 107.85 1don h ARG 24 Ca 0.03 0.00 -0.52 0.00 -1.26 0.00 0.00 59.98 58.23 1don h ARG 24 Cb 0.71 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 28.97 1don h ARG 24 CO 0.04 0.17 1.19 -0.51 0.56 0.00 0.00 179.97 181.42 1don s LEU 25 N -8.61 3.23 0.43 3.04 1.43 -1.08 -0.93 118.68 116.19 1don s LEU 25 Ca -0.04 -0.19 0.24 0.00 -1.03 0.00 0.00 54.13 53.10 1don s LEU 25 Cb 0.16 -2.55 0.58 0.00 0.03 0.00 0.00 46.19 44.40 1don s LEU 25 CO 0.69 -2.07 1.68 0.00 0.23 0.00 0.00 176.35 176.89 1don h ALA 26 N 12.01 0.94 -2.01 4.21 0.00 -0.21 -3.47 119.26 130.73 1don h ALA 26 Ca -0.24 -0.12 0.28 0.00 0.00 0.00 0.00 54.91 54.84 1don h ALA 26 Cb 1.09 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.81 1don h ALA 26 CO 1.26 0.16 0.74 0.45 0.00 0.00 0.00 179.25 181.86 1don n SER 27 N -3.16 -1.03 -3.71 0.00 2.88 -0.26 -4.97 113.62 103.37 1don n SER 27 Ca 0.02 -1.25 -0.14 0.00 -1.33 0.00 0.00 58.87 56.18 1don n SER 27 Cb 0.51 1.60 -0.09 0.00 -0.75 0.00 0.00 64.21 65.48 1don n SER 27 CO 0.00 0.00 0.00 -0.47 -1.23 0.00 0.00 175.04 173.34 1don s TYR 28 N -2.24 -0.44 -0.46 0.66 6.14 -1.25 -0.09 117.35 119.67 1don s TYR 28 Ca 0.25 1.01 0.06 0.00 0.64 0.00 0.00 57.07 59.02 1don s TYR 28 Cb -0.01 0.17 0.20 0.00 0.42 0.00 0.00 41.96 42.74 1don s TYR 28 CO -0.00 -0.29 0.45 0.54 0.64 0.00 0.00 175.55 176.89 1don n ARG 29 N 2.40 0.74 -1.28 4.97 1.74 -0.73 -4.87 116.66 119.63 1don n ARG 29 Ca -0.15 -3.47 -0.57 0.00 -0.77 0.00 0.00 57.85 52.89 1don n ARG 29 Cb 0.57 -1.65 -0.10 0.00 -1.02 0.00 0.00 32.46 30.26 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 2.12 0.00 -1.83 5.56 0.63 -1.26 -2.98 116.66 118.90 1don n ARG 30 Ca 0.26 0.00 -0.30 0.00 -0.92 0.00 0.00 57.85 56.89 1don n ARG 30 Cb 0.47 -1.37 0.05 0.00 0.45 0.00 0.00 32.46 32.06 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 4.72 3.67 0.00 5.15 1.01 -0.07 -4.88 121.20 130.80 1don s ILE 31 Ca 1.06 0.54 0.00 0.00 0.00 0.00 0.00 60.65 62.25 1don s ILE 31 Cb -1.37 -3.50 0.00 0.00 0.01 0.00 0.00 42.46 37.60 1don s ILE 31 CO 0.65 -0.71 0.00 0.35 0.00 0.00 0.00 174.94 175.23 1don n THR 32 N -3.02 0.00 0.00 2.92 -2.24 -1.26 -2.91 114.28 107.77 1don n THR 32 Ca 0.07 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 1don n THR 32 Cb 0.56 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.79 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 -1.68 0.00 0.00 3.42 2.88 -1.26 -4.20 113.62 112.77 1don n SER 33 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1don n SER 33 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 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 -3.78 0.72 0.00 -3.46 3.41 -1.26 -4.73 113.62 104.52 1don n SER 34 Ca 0.00 -1.16 0.00 0.00 -0.26 0.00 0.00 58.87 57.45 1don n SER 34 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 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 -0.08 2.60 -2.45 4.33 4.01 -1.26 -5.04 118.16 120.27 1don n LYS 35 Ca 0.00 -0.17 -0.41 0.00 -0.51 0.00 0.00 58.31 57.22 1don n LYS 35 Cb 0.18 -0.60 -0.04 0.00 -0.51 0.00 0.00 35.03 34.06 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 5.43 0.00 -2.79 0.00 0.13 -1.94 -3.43 132.00 129.40 1don h PRO 37 Ca -0.44 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.56 1don h PRO 37 Cb 1.21 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.10 1don h PRO 37 CO 0.74 0.06 -0.26 0.15 -0.23 0.00 0.00 178.00 178.47 1don s LYS 38 N -3.95 0.46 1.00 0.86 1.02 -1.26 -5.16 119.74 112.72 1don s LYS 38 Ca -0.02 0.52 -0.17 0.00 0.02 0.00 0.00 55.97 56.33 1don s LYS 38 Cb 0.11 0.23 0.24 0.00 -0.52 0.00 0.00 37.83 37.89 1don s LYS 38 CO 0.53 -0.06 1.18 0.39 -0.92 0.00 0.00 175.35 176.48 1don n GLU 39 N 2.82 -1.81 -2.48 1.68 1.02 -1.26 -4.62 120.64 115.98 1don n GLU 39 Ca -0.13 -1.85 0.01 0.00 -0.02 0.00 0.00 57.16 55.17 1don n GLU 39 Cb 0.57 -1.37 0.00 0.00 -0.02 0.00 0.00 31.44 30.62 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 -4.12 -0.98 -3.76 0.62 0.00 -1.15 -4.90 120.51 106.22 1don n ALA 40 Ca -0.20 -0.19 -0.27 0.00 0.00 0.00 0.00 53.44 52.79 1don n ALA 40 Cb 0.55 0.01 -0.17 0.00 0.00 0.00 0.00 19.45 19.84 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 -2.03 1.17 -1.30 0.00 1.01 -0.67 -0.89 120.40 117.70 1don s VAL 41 Ca 0.08 -0.43 -0.13 0.00 0.00 0.00 0.00 61.98 61.51 1don s VAL 41 Cb -0.00 -1.13 0.13 0.00 0.00 0.00 0.00 36.38 35.38 1don s VAL 41 CO -0.01 0.38 1.79 -0.38 0.00 0.00 0.00 175.10 176.89 1don n ILE 42 N 4.50 4.08 -1.77 2.22 2.08 -1.16 -0.79 119.36 128.52 1don n ILE 42 Ca -0.17 -4.18 -0.19 0.00 0.56 0.00 0.00 62.75 58.77 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 1.92 1.43 -0.57 1.39 0.08 -0.60 -1.78 117.98 119.85 1don s PHE 43 Ca 0.44 1.49 -0.26 0.00 0.12 0.00 0.00 56.93 58.72 1don s PHE 43 Cb 0.06 -3.65 -0.05 0.00 -0.57 0.00 0.00 43.02 38.81 1don s PHE 43 CO -0.00 -1.41 2.13 0.15 -0.10 0.00 0.00 175.22 175.99 1don s LYS 44 N 8.01 2.35 0.00 0.44 1.02 0.87 -2.10 119.74 130.32 1don s LYS 44 Ca 0.81 0.95 0.00 0.00 0.02 0.00 0.00 55.97 57.75 1don s LYS 44 Cb -0.08 -4.51 0.00 0.00 -0.52 0.00 0.00 37.83 32.72 1don s LYS 44 CO 0.08 -3.06 0.00 0.25 -0.92 0.00 0.00 175.35 171.70 1don n THR 45 N 7.64 0.00 -0.01 2.17 -2.24 -1.21 0.14 114.28 120.77 1don n THR 45 Ca 0.29 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 62.02 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 -0.60 1.41 0.42 2.28 -0.00 -0.11 -3.02 119.36 119.76 1don n ILE 46 Ca 0.00 -0.76 0.04 0.00 -0.00 0.00 0.00 62.75 62.03 1don n ILE 46 Cb 0.00 -0.87 0.17 0.00 -0.00 0.00 0.00 39.64 38.94 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 0.97 -1.26 7.28 3.14 -1.26 -4.83 118.33 119.41 1don n VAL 47 Ca -0.15 -0.57 -0.09 0.00 -2.96 0.00 0.00 64.34 60.57 1don n VAL 47 Cb 0.97 -0.16 -0.04 0.00 -1.06 0.00 0.00 33.84 33.55 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 0.37 -0.13 -2.57 1.55 0.00 -1.23 -4.91 120.51 113.58 1don n ALA 48 Ca 0.12 0.14 -0.42 0.00 0.00 0.00 0.00 53.44 53.28 1don n ALA 48 Cb 0.54 -1.19 -0.01 0.00 0.00 0.00 0.00 19.45 18.79 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 -2.62 3.87 -0.29 0.00 2.20 -1.26 -4.76 119.74 116.88 1don s LYS 49 Ca 0.00 -1.77 -0.34 0.00 -0.36 0.00 0.00 55.97 53.50 1don s LYS 49 Cb 0.00 -5.49 -0.10 0.00 -1.51 0.00 0.00 37.83 30.72 1don s LYS 49 CO 0.00 -2.27 2.13 0.39 -0.36 0.00 0.00 175.35 175.24 1don n GLU 50 N 8.52 1.38 -3.74 4.03 1.02 -1.26 -3.30 120.64 127.29 1don n GLU 50 Ca 0.45 0.41 -0.38 0.00 -0.02 0.00 0.00 57.16 57.62 1don n GLU 50 Cb 0.47 -2.61 -0.12 0.00 -0.02 0.00 0.00 31.44 29.16 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 6.89 3.84 0.13 -3.67 1.01 -0.89 -4.86 121.20 123.65 1don s ILE 51 Ca 1.05 -1.07 -0.31 0.00 0.00 0.00 0.00 60.65 60.32 1don s ILE 51 Cb -0.75 -3.15 -0.10 0.00 0.01 0.00 0.00 42.46 38.47 1don s ILE 51 CO 0.48 -0.15 1.64 0.00 0.00 0.00 0.00 174.94 176.90 1don s ALA 53 N 1.84 1.14 -0.17 0.00 0.00 0.03 -1.35 121.76 123.25 1don s ALA 53 Ca 0.73 -0.60 -0.29 0.00 0.00 0.00 0.00 51.96 51.81 1don s ALA 53 Cb -0.43 -0.29 -0.05 0.00 0.00 0.00 0.00 23.12 22.35 1don s ALA 53 CO 0.32 0.28 1.97 0.34 0.00 0.00 0.00 175.76 178.67 1don s ASP 54 N -0.33 5.96 0.40 0.00 2.15 -1.26 -1.67 116.67 121.91 1don s ASP 54 Ca 0.05 1.96 0.28 0.00 0.43 0.00 0.00 52.55 55.27 1don s ASP 54 Cb -0.05 -2.52 1.39 0.00 -0.30 0.00 0.00 42.92 41.44 1don s ASP 54 CO -0.00 -1.55 1.85 1.55 -0.17 0.00 0.00 175.17 176.84 1don h PRO 55 N 12.74 0.00 -0.73 4.34 0.13 -1.90 -1.37 132.00 145.20 1don h PRO 55 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1don h PRO 55 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 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 -2.50 3.05 -2.42 0.86 4.76 -1.26 -4.69 118.16 115.97 1don n LYS 56 Ca -0.01 -1.73 -0.24 0.00 -2.87 0.00 0.00 58.31 53.47 1don n LYS 56 Cb 0.12 -1.87 0.07 0.00 -1.84 0.00 0.00 35.03 31.51 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 -1.93 2.18 0.05 1.97 -1.52 -0.52 -5.00 119.66 114.89 1don s GLN 57 Ca 0.30 -0.60 0.22 0.00 -1.95 0.00 0.00 55.36 53.34 1don s GLN 57 Cb 0.22 -2.30 -0.06 0.00 -0.22 0.00 0.00 33.01 30.64 1don s GLN 57 CO 0.10 -1.12 0.90 1.17 -0.25 0.00 0.00 175.29 176.09 1don n LYS 58 N -2.72 0.38 -0.05 2.91 0.00 -1.26 -3.67 118.16 113.76 1don n LYS 58 Ca 0.09 -0.03 -0.04 0.00 0.00 0.00 0.00 58.31 58.33 1don n LYS 58 Cb 0.60 -1.60 -0.14 0.00 0.00 0.00 0.00 35.03 33.89 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 0.33 0.32 5.64 4.27 -1.26 -3.96 117.44 120.70 1don n TRP 59 Ca 0.01 0.11 0.14 0.00 -3.89 0.00 0.00 57.50 53.87 1don n TRP 59 Cb 0.47 -0.96 0.38 0.00 -1.36 0.00 0.00 31.31 29.84 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 -0.01 -1.67 2.07 -1.85 -1.76 116.25 113.02 1don h VAL 60 Ca -0.34 -0.71 -0.12 0.00 0.82 0.00 0.00 66.70 66.35 1don h VAL 60 Cb 1.87 1.69 -0.02 0.00 -1.52 0.00 0.00 31.29 33.31 1don h VAL 60 CO 0.03 0.00 -0.55 1.56 0.02 0.00 0.00 177.57 178.63 1don h GLN 61 N 0.00 0.04 0.00 1.57 4.20 -1.69 -0.12 115.11 119.12 1don h GLN 61 Ca 0.00 -0.03 -0.11 0.00 0.06 0.00 0.00 58.65 58.57 1don h GLN 61 Cb 0.77 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.53 1don h GLN 61 CO 0.00 0.58 -0.70 0.22 -0.67 0.00 0.00 178.83 178.26 1don h ASP 62 N 0.03 0.00 0.46 1.46 1.82 -1.66 -3.25 116.42 115.28 1don h ASP 62 Ca -0.00 -0.50 -0.01 0.00 -0.39 0.00 0.00 57.03 56.13 1don h ASP 62 Cb 0.98 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.98 1don h ASP 62 CO 0.07 1.15 -0.37 0.28 -1.61 0.00 0.00 179.24 178.76 1don h SER 63 N -1.00 -0.99 0.00 2.28 0.02 -1.39 -1.06 113.55 111.41 1don h SER 63 Ca -0.17 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.85 1don h SER 63 Cb 0.97 0.32 0.00 0.00 0.14 0.00 0.00 62.40 63.83 1don h SER 63 CO -0.10 -0.54 0.25 -0.03 -1.14 0.00 0.00 176.83 175.26 1don h MET 64 N -0.83 0.00 0.16 3.45 1.85 -1.20 0.53 114.93 118.89 1don h MET 64 Ca -0.04 0.00 -0.31 0.00 -0.61 0.00 0.00 59.70 58.74 1don h MET 64 Cb 0.71 0.00 0.01 0.00 0.43 0.00 0.00 31.60 32.75 1don h MET 64 CO -0.02 0.00 -1.43 -0.44 -0.40 0.00 0.00 176.91 174.62 1don h ASP 65 N 0.00 0.53 0.52 1.39 3.32 -1.23 0.06 116.42 121.01 1don h ASP 65 Ca 0.00 -0.62 -0.13 0.00 0.02 0.00 0.00 57.03 56.30 1don h ASP 65 Cb 0.50 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.86 1don h ASP 65 CO 0.00 1.50 -0.58 1.12 -1.72 0.00 0.00 179.24 179.56 1don h HIS 66 N 0.09 0.08 -0.05 4.55 2.07 -0.57 -1.28 115.15 120.03 1don h HIS 66 Ca -0.21 -0.03 -0.17 0.00 -2.85 0.00 0.00 60.37 57.11 1don h HIS 66 Cb 2.04 -0.01 -0.01 0.00 2.57 0.00 0.00 27.41 32.00 1don h HIS 66 CO 0.08 0.63 -0.72 -0.07 -3.07 0.00 0.00 177.93 174.79 1don h LEU 67 N 0.05 0.34 -0.45 6.12 3.38 -1.39 0.36 115.31 123.72 1don h LEU 67 Ca -0.01 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1don h LEU 67 Cb 1.05 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.69 1don h LEU 67 CO 0.08 0.95 0.00 -0.67 0.09 0.00 0.00 178.44 178.89 1don n ASP 68 N -3.81 0.30 -2.70 -0.43 2.03 0.00 -2.57 116.55 109.38 1don n ASP 68 Ca -0.03 0.59 0.00 0.00 0.52 0.00 0.00 54.79 55.87 1don n ASP 68 Cb 0.70 -0.65 0.05 0.00 -0.72 0.00 0.00 41.12 40.50 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 -1.85 1.54 -0.56 -0.67 2.85 -0.57 -4.84 118.16 114.06 1don n LYS 69 Ca 0.02 -3.23 0.07 0.00 -1.05 0.00 0.00 58.31 54.12 1don n LYS 69 Cb 0.14 -1.34 0.31 0.00 -0.65 0.00 0.00 35.03 33.49 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 -0.55 3.48 -2.48 -1.58 10.64 0.12 -4.21 117.38 122.80 1don n GLN 70 Ca 0.05 -2.44 -0.01 0.00 -1.83 0.00 0.00 57.00 52.78 1don n GLN 70 Cb 0.84 -1.86 0.07 0.00 -0.86 0.00 0.00 30.24 28.42 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 0.84 0.50 -2.92 -0.39 5.66 -1.26 -5.03 114.28 111.67 1don n THR 71 Ca 0.22 -1.67 -0.44 0.00 -3.05 0.00 0.00 64.05 59.11 1don n THR 71 Cb 0.82 1.08 -0.02 0.00 -1.55 0.00 0.00 70.33 70.66 1don n THR 71 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 1don s GLN 72 N -1.45 3.77 -0.60 1.09 -1.52 -1.26 -4.93 119.66 114.75 1don s GLN 72 Ca 0.17 -2.03 -0.03 0.00 -1.95 0.00 0.00 55.36 51.53 1don s GLN 72 Cb 0.35 -4.98 0.16 0.00 -0.22 0.00 0.00 33.01 28.32 1don s GLN 72 CO -0.09 -1.78 0.42 0.99 -0.25 0.00 0.00 175.29 174.58 1don s THR 73 N 2.37 3.71 -0.33 -0.19 2.01 -1.26 -5.04 115.64 116.92 1don s THR 73 Ca 0.36 -2.82 -0.27 0.00 0.31 0.00 0.00 61.69 59.27 1don s THR 73 Cb -0.04 -3.43 -0.06 0.00 0.01 0.00 0.00 72.50 68.98 1don s THR 73 CO -0.06 -0.86 2.30 -2.65 -0.69 0.00 0.00 174.62 172.66 1don n PRO 74 N 3.66 1.60 -1.35 4.92 -0.02 -1.26 -4.95 135.00 137.59 1don n PRO 74 Ca 0.06 0.33 -0.30 0.00 -2.02 0.00 0.00 63.50 61.57 1don n PRO 74 Cb 0.38 -3.30 0.23 0.00 -0.02 0.00 0.00 33.50 30.80 1don n PRO 74 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1don s LYS 75 N 7.09 -0.81 0.00 -0.52 1.02 -1.26 -5.34 119.74 119.92 1don s LYS 75 Ca 1.00 -0.25 0.18 0.00 0.02 0.00 0.00 55.97 56.92 1don s LYS 75 Cb -0.29 -1.66 0.14 0.00 -0.52 0.00 0.00 37.83 35.50 1don s LYS 75 CO 0.32 -3.40 1.06 -2.37 -0.92 0.00 0.00 175.35 170.03