#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jwa s PRO 43 N -2.98 1.15 0.11 0.00 0.04 -1.26 -5.08 135.00 126.99 2jwa s PRO 43 Ca -0.02 0.78 -0.26 0.00 0.04 0.00 0.00 61.00 61.54 2jwa s PRO 43 Cb 0.01 -1.80 0.07 0.00 0.04 0.00 0.00 34.50 32.82 2jwa s PRO 43 CO -0.06 -2.30 0.97 0.00 0.04 0.00 0.00 177.00 175.64 2jwa s ALA 44 N -2.94 -1.72 -0.29 8.56 0.00 -1.26 -5.18 121.76 118.93 2jwa s ALA 44 Ca 0.64 0.33 -0.25 0.00 0.00 0.00 0.00 51.96 52.67 2jwa s ALA 44 Cb -0.18 0.58 0.15 0.00 0.00 0.00 0.00 23.12 23.67 2jwa s ALA 44 CO 0.57 -0.98 1.18 -2.00 0.00 0.00 0.00 175.76 174.53 2jwa s GLU 45 N -3.20 0.34 0.49 0.00 2.12 -1.26 -5.19 118.70 112.00 2jwa s GLU 45 Ca 0.11 0.41 0.03 0.00 0.36 0.00 0.00 54.97 55.87 2jwa s GLU 45 Cb -0.01 0.17 -0.03 0.00 0.26 0.00 0.00 34.13 34.52 2jwa s GLU 45 CO -0.00 -0.04 0.03 -0.65 -0.54 0.00 0.00 175.26 174.06 2jwa s GLN 46 N 0.14 2.15 0.28 4.30 -1.52 -1.26 -5.10 119.66 118.65 2jwa s GLN 46 Ca 0.05 -2.30 -0.30 0.00 -1.95 0.00 0.00 55.36 50.86 2jwa s GLN 46 Cb -0.05 -1.60 -0.10 0.00 -0.22 0.00 0.00 33.01 31.04 2jwa s GLN 46 CO -0.10 -0.30 1.43 0.50 -0.25 0.00 0.00 175.29 176.58 2jwa s ARG 47 N -3.87 4.25 -0.21 2.91 3.52 -1.26 -5.01 118.95 119.28 2jwa s ARG 47 Ca 0.15 2.34 -0.08 0.00 -0.13 0.00 0.00 55.73 58.01 2jwa s ARG 47 Cb 0.03 -3.08 0.09 0.00 -1.56 0.00 0.00 34.95 30.43 2jwa s ARG 47 CO 0.08 -0.41 0.46 0.00 -0.81 0.00 0.00 175.30 174.62 2jwa s ALA 48 N -0.36 -1.27 -0.57 6.12 0.00 -1.26 -5.09 121.76 119.33 2jwa s ALA 48 Ca 0.57 1.65 0.06 0.00 0.00 0.00 0.00 51.96 54.24 2jwa s ALA 48 Cb -0.43 -1.30 0.22 0.00 0.00 0.00 0.00 23.12 21.61 2jwa s ALA 48 CO 0.48 -0.66 0.59 -1.13 0.00 0.00 0.00 175.76 175.04 2jwa n SER 49 N 5.12 2.26 0.22 0.00 3.41 -1.26 -4.91 113.62 118.46 2jwa n SER 49 Ca -0.12 -3.09 0.15 0.00 -0.26 0.00 0.00 58.87 55.55 2jwa n SER 49 Cb 0.51 -0.67 0.62 0.00 -0.26 0.00 0.00 64.21 64.41 2jwa n SER 49 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 2jwa h PRO 50 N 4.56 0.00 -0.95 4.33 0.13 -2.03 -3.12 132.00 134.92 2jwa h PRO 50 Ca 0.17 0.00 0.17 0.00 -0.87 0.00 0.00 66.00 65.47 2jwa h PRO 50 Cb 0.76 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 31.81 2jwa h PRO 50 CO 0.67 0.00 0.60 -0.07 -0.23 0.00 0.00 178.00 178.97 2jwa h LEU 51 N 0.00 0.67 -1.79 1.56 3.38 -2.01 0.92 115.31 118.04 2jwa h LEU 51 Ca 0.00 0.06 0.23 0.00 0.09 0.00 0.00 57.88 58.26 2jwa h LEU 51 Cb 0.43 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.07 2jwa h LEU 51 CO 0.00 0.29 0.60 0.74 0.09 0.00 0.00 178.44 180.16 2jwa h THR 52 N 0.68 0.62 0.50 0.22 2.02 -1.98 -1.66 112.91 113.31 2jwa h THR 52 Ca 0.50 -0.06 -0.02 0.00 0.77 0.00 0.00 66.41 67.60 2jwa h THR 52 Cb 0.87 0.43 0.00 0.00 -1.74 0.00 0.00 68.15 67.71 2jwa h THR 52 CO -0.26 0.03 -0.24 -1.28 0.37 0.00 0.00 175.52 174.14 2jwa h SER 53 N 0.17 -0.57 -0.74 4.18 0.87 -1.05 0.42 113.55 116.83 2jwa h SER 53 Ca 0.43 -0.06 0.14 0.00 -1.23 0.00 0.00 61.79 61.07 2jwa h SER 53 Cb 1.42 0.15 -0.09 0.00 -0.44 0.00 0.00 62.40 63.43 2jwa h SER 53 CO -0.08 -0.18 0.28 0.40 -0.53 0.00 0.00 176.83 176.72 2jwa h ILE 54 N -1.04 0.65 -0.31 2.23 2.04 -1.40 0.26 117.51 119.94 2jwa h ILE 54 Ca -0.07 -0.14 -0.06 0.00 1.00 0.00 0.00 64.86 65.58 2jwa h ILE 54 Cb 0.60 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 2jwa h ILE 54 CO 0.11 0.08 -0.06 0.40 0.00 0.00 0.00 178.15 178.68 2jwa h ILE 55 N 0.42 1.28 -0.77 -0.67 1.08 -1.35 -1.89 117.51 115.61 2jwa h ILE 55 Ca 0.41 -1.09 -0.01 0.00 -0.39 0.00 0.00 64.86 63.78 2jwa h ILE 55 Cb 0.62 1.36 -0.04 0.00 -3.07 0.00 0.00 36.82 35.69 2jwa h ILE 55 CO -0.41 0.35 0.43 0.77 -0.69 0.00 0.00 178.15 178.61 2jwa h SER 56 N 0.36 0.95 -0.15 1.72 4.64 0.24 -2.19 113.55 119.11 2jwa h SER 56 Ca 0.08 -0.09 -0.01 0.00 -0.47 0.00 0.00 61.79 61.30 2jwa h SER 56 Cb 0.54 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.39 2jwa h SER 56 CO 0.03 0.76 0.04 0.00 -0.87 0.00 0.00 176.83 176.79 2jwa h ALA 57 N 1.23 0.19 -0.73 5.18 0.00 -0.47 -2.35 119.26 122.32 2jwa h ALA 57 Ca 0.27 -0.13 0.10 0.00 0.00 0.00 0.00 54.91 55.14 2jwa h ALA 57 Cb 0.01 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 17.67 2jwa h ALA 57 CO -0.05 -0.18 0.37 0.28 0.00 0.00 0.00 179.25 179.67 2jwa h VAL 58 N 0.05 0.85 -0.22 0.00 2.07 -1.14 -0.74 116.25 117.12 2jwa h VAL 58 Ca 0.05 -0.21 -0.00 0.00 0.82 0.00 0.00 66.70 67.35 2jwa h VAL 58 Cb 0.24 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.17 2jwa h VAL 58 CO -0.00 0.11 0.12 0.58 0.02 0.00 0.00 177.57 178.41 2jwa h VAL 59 N 0.62 1.10 0.01 2.57 2.07 -1.27 0.47 116.25 121.82 2jwa h VAL 59 Ca 0.36 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.61 2jwa h VAL 59 Cb 0.38 0.89 -0.00 0.00 -1.52 0.00 0.00 31.29 31.04 2jwa h VAL 59 CO -0.27 0.10 -0.01 1.23 0.02 0.00 0.00 177.57 178.64 2jwa h GLY 60 N 0.25 -0.01 1.68 2.17 0.00 -0.84 0.63 103.07 106.95 2jwa h GLY 60 Ca 0.08 0.01 -0.05 0.00 0.00 0.00 0.00 47.33 47.36 2jwa h GLY 60 CO -0.01 -0.01 -0.07 -2.22 0.00 0.00 0.00 176.54 174.23 2jwa h ILE 61 N -0.01 1.19 -0.03 2.60 2.04 -1.08 -2.18 117.51 120.03 2jwa h ILE 61 Ca 0.00 -0.81 -0.01 0.00 1.00 0.00 0.00 64.86 65.04 2jwa h ILE 61 Cb 0.01 1.08 -0.00 0.00 -0.74 0.00 0.00 36.82 37.18 2jwa h ILE 61 CO -0.00 0.26 -0.03 0.25 0.00 0.00 0.00 178.15 178.63 2jwa h LEU 62 N 0.38 0.08 -1.15 1.44 6.46 -0.52 -2.46 115.31 119.55 2jwa h LEU 62 Ca 0.08 -0.46 0.05 0.00 -0.12 0.00 0.00 57.88 57.43 2jwa h LEU 62 Cb 0.37 -0.02 -0.06 0.00 -0.73 0.00 0.00 40.66 40.22 2jwa h LEU 62 CO 0.02 0.53 0.59 0.25 -0.62 0.00 0.00 178.44 179.20 2jwa h LEU 63 N -0.36 0.92 0.71 2.25 6.46 -0.74 -1.16 115.31 123.39 2jwa h LEU 63 Ca 0.01 -0.00 -0.03 0.00 -0.12 0.00 0.00 57.88 57.73 2jwa h LEU 63 Cb 0.50 -0.20 0.01 0.00 -0.73 0.00 0.00 40.66 40.24 2jwa h LEU 63 CO 0.01 0.61 -0.34 0.58 -0.62 0.00 0.00 178.44 178.68 2jwa h VAL 64 N 1.06 0.20 -0.50 1.05 2.07 -1.36 -1.82 116.25 116.94 2jwa h VAL 64 Ca 0.37 -0.19 0.09 0.00 0.82 0.00 0.00 66.70 67.79 2jwa h VAL 64 Cb 0.13 0.24 -0.08 0.00 -1.52 0.00 0.00 31.29 30.07 2jwa h VAL 64 CO -0.13 0.02 0.05 0.58 0.02 0.00 0.00 177.57 178.11 2jwa h VAL 65 N -1.11 0.66 -0.89 2.57 2.07 -1.24 -0.44 116.25 117.88 2jwa h VAL 65 Ca -0.10 -0.06 0.08 0.00 0.82 0.00 0.00 66.70 67.44 2jwa h VAL 65 Cb 0.76 0.47 -0.06 0.00 -1.52 0.00 0.00 31.29 30.94 2jwa h VAL 65 CO 0.16 0.03 0.58 0.58 0.02 0.00 0.00 177.57 178.94 2jwa h VAL 66 N 0.18 1.01 -0.02 2.57 2.07 -1.19 -1.88 116.25 118.99 2jwa h VAL 66 Ca 0.25 -0.32 -0.00 0.00 0.82 0.00 0.00 66.70 67.45 2jwa h VAL 66 Cb 0.36 -0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 30.12 2jwa h VAL 66 CO -0.37 0.17 0.00 0.25 0.02 0.00 0.00 177.57 177.65 2jwa h LEU 67 N 0.94 0.02 -0.66 2.57 7.12 -0.21 -2.38 115.31 122.71 2jwa h LEU 67 Ca 0.40 -0.22 0.07 0.00 0.13 0.00 0.00 57.88 58.26 2jwa h LEU 67 Cb 0.31 -0.01 -0.06 0.00 -0.53 0.00 0.00 40.66 40.38 2jwa h LEU 67 CO -0.16 0.23 0.36 1.23 -0.13 0.00 0.00 178.44 179.97 2jwa h GLY 68 N -0.19 0.97 0.96 3.75 0.00 -0.78 -1.40 103.07 106.38 2jwa h GLY 68 Ca 0.00 -0.24 0.01 0.00 0.00 0.00 0.00 47.33 47.10 2jwa h GLY 68 CO -0.00 0.13 0.08 -2.08 0.00 0.00 0.00 176.54 174.67 2jwa h VAL 69 N 0.65 1.01 0.24 4.60 2.07 -1.28 -1.48 116.25 122.05 2jwa h VAL 69 Ca 0.30 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.77 2jwa h VAL 69 Cb 0.23 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 2jwa h VAL 69 CO -0.20 0.03 -0.22 0.58 0.02 0.00 0.00 177.57 177.78 2jwa h VAL 70 N 0.17 0.52 -0.20 2.57 2.07 -1.00 -1.78 116.25 118.60 2jwa h VAL 70 Ca 0.06 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.63 2jwa h VAL 70 Cb 0.00 0.52 -0.07 0.00 -1.52 0.00 0.00 31.29 30.23 2jwa h VAL 70 CO -0.03 0.00 -0.25 0.15 0.02 0.00 0.00 177.57 177.46 2jwa h PHE 71 N -0.48 -0.66 0.08 1.57 3.57 -1.16 0.27 116.94 120.13 2jwa h PHE 71 Ca -0.01 0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.55 2jwa h PHE 71 Cb 0.45 0.32 -0.05 0.00 2.79 0.00 0.00 35.95 39.46 2jwa h PHE 71 CO -0.15 -0.32 -0.45 0.78 -2.23 0.00 0.00 178.31 175.94 2jwa h GLY 72 N -0.27 -0.90 0.81 2.40 0.00 -1.10 0.07 103.07 104.08 2jwa h GLY 72 Ca 0.12 0.54 0.05 0.00 0.00 0.00 0.00 47.33 48.04 2jwa h GLY 72 CO -0.36 -0.26 0.64 -2.22 0.00 0.00 0.00 176.54 174.33 2jwa h ILE 73 N -0.66 1.13 0.71 2.60 1.08 -1.02 -2.06 117.51 119.29 2jwa h ILE 73 Ca 0.02 -0.41 -0.03 0.00 -0.39 0.00 0.00 64.86 64.05 2jwa h ILE 73 Cb 0.69 -0.17 -0.01 0.00 -3.07 0.00 0.00 36.82 34.27 2jwa h ILE 73 CO -0.28 0.22 -0.46 -0.07 -0.69 0.00 0.00 178.15 176.87 2jwa h LEU 74 N 1.20 -1.18 -1.28 1.44 3.38 0.24 0.22 115.31 119.33 2jwa h LEU 74 Ca 0.41 0.07 0.18 0.00 0.09 0.00 0.00 57.88 58.63 2jwa h LEU 74 Cb 0.08 0.35 -0.08 0.00 0.09 0.00 0.00 40.66 41.10 2jwa h LEU 74 CO -0.15 -0.70 0.60 0.40 0.09 0.00 0.00 178.44 178.68 2jwa h ILE 75 N -1.11 0.73 0.37 1.22 2.04 -0.82 0.19 117.51 120.13 2jwa h ILE 75 Ca -0.09 -0.21 -0.02 0.00 1.00 0.00 0.00 64.86 65.54 2jwa h ILE 75 Cb 0.90 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 37.05 2jwa h ILE 75 CO 0.08 0.11 -0.18 0.11 0.00 0.00 0.00 178.15 178.27 2jwa h LYS 76 N 0.61 -0.47 -0.83 2.37 1.57 -0.92 -2.74 116.57 116.16 2jwa h LYS 76 Ca 0.50 0.03 0.23 0.00 -1.87 0.00 0.00 60.65 59.54 2jwa h LYS 76 Cb 0.95 0.11 -0.04 0.00 0.08 0.00 0.00 32.23 33.33 2jwa h LYS 76 CO -0.25 -0.32 0.58 0.00 -0.57 0.00 0.00 179.45 178.90 2jwa h ARG 77 N -0.78 0.10 0.04 3.15 2.47 -0.28 -0.88 114.38 118.19 2jwa h ARG 77 Ca -0.05 -0.01 -0.00 0.00 -1.26 0.00 0.00 59.98 58.66 2jwa h ARG 77 Cb 0.38 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.68 2jwa h ARG 77 CO 0.08 0.06 -0.02 0.00 0.56 0.00 0.00 179.97 180.66 2jwa h ARG 78 N 0.10 -0.05 -5.66 0.04 2.47 -0.62 -3.49 114.38 107.17 2jwa h ARG 78 Ca 0.40 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 59.11 2jwa h ARG 78 Cb 1.44 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 29.77 2jwa h ARG 78 CO -0.05 0.13 -0.98 1.04 0.56 0.00 0.00 179.97 180.68 2jwa n GLN 79 N -5.03 -2.19 -3.43 0.04 1.13 -0.34 -5.05 117.38 102.52 2jwa n GLN 79 Ca -0.08 1.96 -0.12 0.00 -1.94 0.00 0.00 57.00 56.82 2jwa n GLN 79 Cb 0.12 -3.66 -0.02 0.00 0.11 0.00 0.00 30.24 26.79 2jwa n GLN 79 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 2jwa s GLN 80 N -1.51 1.26 -0.24 -1.09 -0.21 -1.26 -5.14 119.66 111.47 2jwa s GLN 80 Ca 0.03 -0.43 0.00 0.00 0.02 0.00 0.00 55.36 54.99 2jwa s GLN 80 Cb -0.01 0.58 0.04 0.00 1.00 0.00 0.00 33.01 34.62 2jwa s GLN 80 CO 0.50 -0.54 -0.10 -1.59 -2.12 0.00 0.00 175.29 171.44 2jwa s LYS 81 N -3.62 2.66 -0.74 2.91 -2.85 -1.26 -5.03 119.74 111.81 2jwa s LYS 81 Ca 0.01 -1.08 0.03 0.00 -1.00 0.00 0.00 55.97 53.93 2jwa s LYS 81 Cb -0.01 -2.88 0.30 0.00 -2.06 0.00 0.00 37.83 33.17 2jwa s LYS 81 CO -0.12 -0.43 1.06 -0.89 0.10 0.00 0.00 175.35 175.07 2jwa n ILE 82 N 4.58 3.53 -2.93 3.79 5.41 -1.26 -4.92 119.36 127.57 2jwa n ILE 82 Ca -0.16 -5.55 -0.08 0.00 1.00 0.00 0.00 62.75 57.95 2jwa n ILE 82 Cb 0.46 -1.82 0.01 0.00 -0.71 0.00 0.00 39.64 37.58 2jwa n ILE 82 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 2jwa n ARG 83 N 0.48 -2.51 0.00 0.38 0.63 -1.26 -5.36 116.66 109.03 2jwa n ARG 83 Ca 0.32 2.14 0.15 0.00 -0.92 0.00 0.00 57.85 59.53 2jwa n ARG 83 Cb 0.37 -4.62 0.89 0.00 0.45 0.00 0.00 32.46 29.55 2jwa n ARG 83 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75