#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ms1 s PRO 37 N 0.00 2.53 -0.49 7.34 0.04 -1.26 -2.05 135.00 141.11 3ms1 s PRO 37 Ca 0.00 0.66 -0.28 0.00 0.04 0.00 0.00 61.00 61.42 3ms1 s PRO 37 Cb 0.00 -4.47 0.00 0.00 0.04 0.00 0.00 34.50 30.07 3ms1 s PRO 37 CO 0.00 -2.88 1.56 0.00 0.04 0.00 0.00 177.00 175.72 3ms1 s ALA 38 N 9.68 2.77 -0.65 8.56 0.00 -1.07 -4.38 121.76 136.66 3ms1 s ALA 38 Ca 0.72 -0.37 -0.23 0.00 0.00 0.00 0.00 51.96 52.08 3ms1 s ALA 38 Cb -0.13 -4.08 0.07 0.00 0.00 0.00 0.00 23.12 18.98 3ms1 s ALA 38 CO 0.20 -2.91 0.97 1.03 0.00 0.00 0.00 175.76 175.05 3ms1 s ARG 39 N 5.66 3.14 -0.36 0.00 0.52 0.14 -1.90 118.95 126.15 3ms1 s ARG 39 Ca 0.62 -0.75 -0.28 0.00 -0.52 0.00 0.00 55.73 54.80 3ms1 s ARG 39 Cb -0.14 -4.21 -0.01 0.00 0.52 0.00 0.00 34.95 31.11 3ms1 s ARG 39 CO 0.28 -1.80 1.68 0.42 0.02 0.00 0.00 175.30 175.90 3ms1 s ILE 40 N 4.13 3.60 -0.87 1.52 1.09 -0.72 -2.73 121.20 127.22 3ms1 s ILE 40 Ca 0.23 0.61 -0.03 0.00 -1.10 0.00 0.00 60.65 60.37 3ms1 s ILE 40 Cb -0.16 -3.82 0.25 0.00 -1.06 0.00 0.00 42.46 37.68 3ms1 s ILE 40 CO 0.11 -0.52 2.18 -0.38 -0.10 0.00 0.00 174.94 176.23 3ms1 n ILE 41 N 7.31 4.39 -1.78 2.92 2.08 0.88 -3.35 119.36 131.80 3ms1 n ILE 41 Ca 0.21 -4.46 -0.42 0.00 0.56 0.00 0.00 62.75 58.64 3ms1 n ILE 41 Cb 0.47 -1.49 -0.03 0.00 -0.75 0.00 0.00 39.64 37.84 3ms1 n ILE 41 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3ms1 n GLY 43 N 4.09 2.69 0.00 0.00 0.00 -1.06 -3.40 105.19 107.52 3ms1 n GLY 43 Ca 0.17 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.92 3ms1 n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ms1 n GLY 45 N 0.00 0.99 3.47 0.00 0.00 -1.22 -4.91 105.19 103.52 3ms1 n GLY 45 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 3ms1 n GLY 45 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3ms1 s ASN 46 N -0.63 -0.73 -0.34 1.61 3.04 -1.25 -4.96 114.94 111.69 3ms1 s ASN 46 Ca 0.00 1.30 0.01 0.00 0.04 0.00 0.00 52.86 54.21 3ms1 s ASN 46 Cb 0.00 1.78 0.10 0.00 -1.54 0.00 0.00 41.25 41.59 3ms1 s ASN 46 CO 0.00 -0.22 0.10 -0.69 -3.04 0.00 0.00 177.10 173.24 3ms1 s VAL 47 N 2.63 1.48 -0.10 -5.21 1.01 -1.25 -3.31 120.40 115.65 3ms1 s VAL 47 Ca -0.05 -1.90 -0.09 0.00 0.00 0.00 0.00 61.98 59.94 3ms1 s VAL 47 Cb -0.11 -2.10 -0.04 0.00 0.00 0.00 0.00 36.38 34.12 3ms1 s VAL 47 CO -0.16 -0.67 0.21 -0.63 0.00 0.00 0.00 175.10 173.84 3ms1 s ILE 48 N 1.19 5.39 -1.14 2.22 1.09 -1.21 -4.88 121.20 123.86 3ms1 s ILE 48 Ca 0.11 0.36 -0.08 0.00 -1.10 0.00 0.00 60.65 59.94 3ms1 s ILE 48 Cb -0.19 -3.49 0.26 0.00 -1.06 0.00 0.00 42.46 37.99 3ms1 s ILE 48 CO -0.16 0.58 1.31 -0.62 -0.10 0.00 0.00 174.94 175.96 3ms1 n GLU 49 N 2.15 3.77 0.00 2.79 4.71 -1.26 -1.75 120.64 131.05 3ms1 n GLU 49 Ca -0.18 -4.33 0.00 0.00 -0.01 0.00 0.00 57.16 52.64 3ms1 n GLU 49 Cb 0.54 -2.64 0.00 0.00 -1.01 0.00 0.00 31.44 28.33 3ms1 n GLU 49 CO 0.00 0.00 0.00 2.41 0.09 0.00 0.00 177.13 179.63 3ms1 n THR 50 N 2.66 0.00 -3.64 2.62 -1.04 -0.80 -4.79 114.28 109.29 3ms1 n THR 50 Ca 0.28 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 62.18 3ms1 n THR 50 Cb 0.38 0.00 -0.11 0.00 -1.82 0.00 0.00 70.33 68.78 3ms1 n THR 50 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 3ms1 s TYR 51 N 0.50 -0.61 -0.00 -1.42 2.02 -1.26 -2.61 117.35 113.96 3ms1 s TYR 51 Ca 0.00 1.21 -0.30 0.00 -0.37 0.00 0.00 57.07 57.61 3ms1 s TYR 51 Cb 0.00 0.12 0.12 0.00 -0.40 0.00 0.00 41.96 41.79 3ms1 s TYR 51 CO 0.00 -0.44 1.26 0.45 -1.57 0.00 0.00 175.55 175.26 3ms1 s SER 52 N 2.51 -0.06 0.27 2.29 0.15 -0.87 -4.78 113.70 113.21 3ms1 s SER 52 Ca 0.01 -0.16 -0.30 0.00 0.70 0.00 0.00 55.95 56.19 3ms1 s SER 52 Cb -0.12 0.19 -0.11 0.00 -1.71 0.00 0.00 66.02 64.26 3ms1 s SER 52 CO -0.11 -0.35 1.57 0.42 1.20 0.00 0.00 173.24 175.97 3ms1 s THR 53 N -2.45 2.22 0.03 6.45 -4.23 -1.26 -4.18 115.64 112.23 3ms1 s THR 53 Ca 0.15 0.18 0.00 0.00 -1.18 0.00 0.00 61.69 60.84 3ms1 s THR 53 Cb 0.04 -3.12 0.00 0.00 1.34 0.00 0.00 72.50 70.76 3ms1 s THR 53 CO -0.03 0.03 0.00 0.29 -0.54 0.00 0.00 174.62 174.37 3ms1 n LYS 54 N 2.47 -5.24 -0.20 3.99 4.01 -1.26 -4.88 118.16 117.05 3ms1 n LYS 54 Ca 0.09 3.79 -0.02 0.00 -0.51 0.00 0.00 58.31 61.66 3ms1 n LYS 54 Cb 0.38 -4.70 0.18 0.00 -0.51 0.00 0.00 35.03 30.38 3ms1 n LYS 54 CO 0.00 0.00 0.00 -1.35 -1.11 0.00 0.00 177.40 174.94 3ms1 h PRO 55 N 4.27 0.98 -4.08 1.97 0.11 -1.78 -3.34 132.00 130.12 3ms1 h PRO 55 Ca 0.00 -0.14 -0.58 0.00 0.11 0.00 0.00 66.00 65.39 3ms1 h PRO 55 Cb 0.00 -0.18 0.03 0.00 0.11 0.00 0.00 31.00 30.96 3ms1 h PRO 55 CO 0.00 0.77 2.51 0.39 -0.21 0.00 0.00 178.00 181.46 3ms1 n GLU 56 N -4.32 1.86 -2.81 1.05 -0.58 -1.26 0.25 120.64 114.82 3ms1 n GLU 56 Ca 0.06 -1.80 -0.43 0.00 -0.42 0.00 0.00 57.16 54.57 3ms1 n GLU 56 Cb 0.15 -2.81 -0.04 0.00 -0.57 0.00 0.00 31.44 28.18 3ms1 n GLU 56 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 3ms1 s ILE 57 N 4.28 4.25 -0.54 -3.67 -1.09 -1.10 -4.99 121.20 118.33 3ms1 s ILE 57 Ca 0.51 -0.18 -0.27 0.00 -2.23 0.00 0.00 60.65 58.48 3ms1 s ILE 57 Cb 0.13 -4.70 0.03 0.00 -1.58 0.00 0.00 42.46 36.34 3ms1 s ILE 57 CO 0.05 -1.47 1.10 -0.31 -1.23 0.00 0.00 174.94 173.08 3ms1 s TYR 58 N 4.29 2.72 0.00 3.97 1.51 -1.26 -0.09 117.35 128.49 3ms1 s TYR 58 Ca 0.25 0.38 0.00 0.00 -1.01 0.00 0.00 57.07 56.69 3ms1 s TYR 58 Cb -0.15 -4.35 0.00 0.00 -0.11 0.00 0.00 41.96 37.34 3ms1 s TYR 58 CO 0.12 -1.43 0.00 0.28 -1.11 0.00 0.00 175.55 173.41 3ms1 n VAL 59 N 6.59 0.00 -3.59 0.71 0.31 -1.25 -4.95 118.33 116.15 3ms1 n VAL 59 Ca 0.08 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.35 3ms1 n VAL 59 Cb 0.49 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 33.39 3ms1 n VAL 59 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 3ms1 s GLU 60 N 0.35 0.37 -1.44 5.55 1.03 -1.26 -2.55 118.70 120.75 3ms1 s GLU 60 Ca 0.00 -0.11 -0.11 0.00 0.03 0.00 0.00 54.97 54.78 3ms1 s GLU 60 Cb 0.00 0.17 0.05 0.00 -0.80 0.00 0.00 34.13 33.55 3ms1 s GLU 60 CO 0.00 -0.16 1.05 0.28 -1.33 0.00 0.00 175.26 175.11 3ms1 n VAL 61 N -0.01 -2.69 -0.11 1.83 0.31 -1.26 -4.88 118.33 111.52 3ms1 n VAL 61 Ca -0.01 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.27 3ms1 n VAL 61 Cb 0.59 -3.43 0.00 0.00 -0.91 0.00 0.00 33.84 30.08 3ms1 n VAL 61 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3ms1 n SER 63 N -0.44 0.28 0.20 0.00 3.41 -1.26 -2.74 113.62 113.06 3ms1 n SER 63 Ca 0.00 0.57 0.14 0.00 -0.26 0.00 0.00 58.87 59.32 3ms1 n SER 63 Cb 0.00 -0.63 0.43 0.00 -0.26 0.00 0.00 64.21 63.75 3ms1 n SER 63 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 3ms1 h LYS 64 N 0.00 0.00 0.00 4.33 1.63 -1.92 -3.53 116.57 117.07 3ms1 h LYS 64 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 3ms1 h LYS 64 Cb 0.26 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.89 3ms1 h LYS 64 CO 0.00 0.00 0.00 0.00 -3.45 0.00 0.00 179.45 176.00