#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 -0.94 2.53 -0.47 0.00 0.04 -1.26 -5.03 135.00 129.87 2jwa s PRO 43 Ca 0.35 1.28 0.03 0.00 0.04 0.00 0.00 61.00 62.69 2jwa s PRO 43 Cb 0.16 -1.92 0.13 0.00 0.04 0.00 0.00 34.50 32.91 2jwa s PRO 43 CO -0.13 -1.45 0.24 0.00 0.04 0.00 0.00 177.00 175.71 2jwa s ALA 44 N -2.62 2.60 0.38 8.56 0.00 -1.26 -5.09 121.76 124.33 2jwa s ALA 44 Ca 0.64 -2.85 0.05 0.00 0.00 0.00 0.00 51.96 49.80 2jwa s ALA 44 Cb -0.19 -1.99 -0.03 0.00 0.00 0.00 0.00 23.12 20.91 2jwa s ALA 44 CO 0.49 -2.04 0.19 -1.21 0.00 0.00 0.00 175.76 173.18 2jwa s GLU 45 N 0.12 1.86 0.01 0.00 0.41 -1.26 -5.09 118.70 114.75 2jwa s GLU 45 Ca 0.17 -2.12 -0.17 0.00 -0.41 0.00 0.00 54.97 52.45 2jwa s GLU 45 Cb -0.25 -0.25 -0.09 0.00 -1.78 0.00 0.00 34.13 31.76 2jwa s GLU 45 CO 0.00 -0.55 0.94 1.96 -0.49 0.00 0.00 175.26 177.12 2jwa h GLN 46 N 1.92 -0.58 -2.98 1.61 7.50 -2.04 -3.49 115.11 117.05 2jwa h GLN 46 Ca -0.31 0.04 0.36 0.00 0.50 0.00 0.00 58.65 59.24 2jwa h GLN 46 Cb 1.26 0.13 -0.09 0.00 0.05 0.00 0.00 27.48 28.83 2jwa h GLN 46 CO 0.49 -0.39 -0.49 0.54 -1.50 0.00 0.00 178.83 177.48 2jwa n ARG 47 N -4.17 -2.69 -0.64 1.46 1.74 -1.26 -4.98 116.66 106.12 2jwa n ARG 47 Ca -0.07 1.78 0.09 0.00 -0.77 0.00 0.00 57.85 58.87 2jwa n ARG 47 Cb 0.24 -3.29 -0.02 0.00 -1.02 0.00 0.00 32.46 28.37 2jwa n ARG 47 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2jwa n ALA 48 N -2.16 -1.64 -2.35 7.54 0.00 -1.26 -4.86 120.51 115.78 2jwa n ALA 48 Ca 0.01 0.20 -0.26 0.00 0.00 0.00 0.00 53.44 53.38 2jwa n ALA 48 Cb 0.65 -0.57 -0.00 0.00 0.00 0.00 0.00 19.45 19.54 2jwa n ALA 48 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2jwa s SER 49 N -5.21 6.20 0.40 0.00 1.04 -1.26 -4.98 113.70 109.90 2jwa s SER 49 Ca 0.00 0.78 0.29 0.00 0.48 0.00 0.00 55.95 57.49 2jwa s SER 49 Cb 0.00 -2.13 1.19 0.00 0.10 0.00 0.00 66.02 65.19 2jwa s SER 49 CO 0.00 -0.55 1.85 1.55 0.98 0.00 0.00 173.24 177.07 2jwa h PRO 50 N 0.32 0.00 -0.88 4.02 0.13 -2.02 -3.11 132.00 130.47 2jwa h PRO 50 Ca -0.47 0.00 0.21 0.00 -0.87 0.00 0.00 66.00 64.87 2jwa h PRO 50 Cb 1.21 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.29 2jwa h PRO 50 CO 0.61 0.00 0.59 -0.07 -0.23 0.00 0.00 178.00 178.91 2jwa h LEU 51 N 0.00 0.29 -1.86 1.56 3.38 -1.99 0.12 115.31 116.80 2jwa h LEU 51 Ca 0.00 0.03 0.23 0.00 0.09 0.00 0.00 57.88 58.23 2jwa h LEU 51 Cb 0.42 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.11 2jwa h LEU 51 CO 0.00 0.11 0.60 0.74 0.09 0.00 0.00 178.44 179.98 2jwa h THR 52 N 0.28 0.61 0.43 0.22 2.02 -1.96 -1.64 112.91 112.88 2jwa h THR 52 Ca 0.45 -0.04 -0.02 0.00 0.77 0.00 0.00 66.41 67.57 2jwa h THR 52 Cb 1.29 0.49 0.00 0.00 -1.74 0.00 0.00 68.15 68.19 2jwa h THR 52 CO -0.13 0.02 -0.21 -1.28 0.37 0.00 0.00 175.52 174.30 2jwa h SER 53 N 0.11 -0.49 -0.74 4.18 0.87 -1.01 -0.02 113.55 116.45 2jwa h SER 53 Ca 0.42 -0.09 0.14 0.00 -1.23 0.00 0.00 61.79 61.02 2jwa h SER 53 Cb 1.48 0.13 -0.10 0.00 -0.44 0.00 0.00 62.40 63.47 2jwa h SER 53 CO -0.05 -0.08 0.28 0.40 -0.53 0.00 0.00 176.83 176.84 2jwa h ILE 54 N -1.02 0.64 -0.28 2.23 1.08 -1.44 0.26 117.51 118.99 2jwa h ILE 54 Ca -0.06 -0.14 -0.06 0.00 -0.39 0.00 0.00 64.86 64.21 2jwa h ILE 54 Cb 0.55 0.20 -0.01 0.00 -3.07 0.00 0.00 36.82 34.49 2jwa h ILE 54 CO 0.10 0.08 -0.06 0.40 -0.69 0.00 0.00 178.15 177.97 2jwa h ILE 55 N 0.41 1.28 -0.79 -0.67 1.08 -1.36 -1.90 117.51 115.56 2jwa h ILE 55 Ca 0.41 -1.07 -0.00 0.00 -0.39 0.00 0.00 64.86 63.80 2jwa h ILE 55 Cb 0.62 1.41 -0.04 0.00 -3.07 0.00 0.00 36.82 35.75 2jwa h ILE 55 CO -0.41 0.34 0.47 0.77 -0.69 0.00 0.00 178.15 178.63 2jwa h SER 56 N 0.29 0.95 -0.13 1.72 4.64 0.09 -2.16 113.55 118.95 2jwa h SER 56 Ca 0.07 -0.07 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 2jwa h SER 56 Cb 0.53 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.37 2jwa h SER 56 CO 0.03 0.73 0.04 0.00 -0.87 0.00 0.00 176.83 176.76 2jwa h ALA 57 N 1.25 0.17 -0.76 5.18 0.00 -0.46 -2.34 119.26 122.30 2jwa h ALA 57 Ca 0.28 -0.13 0.10 0.00 0.00 0.00 0.00 54.91 55.17 2jwa h ALA 57 Cb -0.04 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 17.63 2jwa h ALA 57 CO -0.05 -0.21 0.40 0.28 0.00 0.00 0.00 179.25 179.67 2jwa h VAL 58 N 0.03 0.85 -0.22 0.00 2.07 -1.12 -0.96 116.25 116.89 2jwa h VAL 58 Ca 0.04 -0.22 -0.00 0.00 0.82 0.00 0.00 66.70 67.33 2jwa h VAL 58 Cb 0.23 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.12 2jwa h VAL 58 CO -0.00 0.12 0.12 0.58 0.02 0.00 0.00 177.57 178.41 2jwa h VAL 59 N 0.65 1.11 0.25 2.57 2.07 -1.25 0.11 116.25 121.76 2jwa h VAL 59 Ca 0.38 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.59 2jwa h VAL 59 Cb 0.41 0.92 -0.00 0.00 -1.52 0.00 0.00 31.29 31.09 2jwa h VAL 59 CO -0.28 0.11 -0.15 1.23 0.02 0.00 0.00 177.57 178.50 2jwa h GLY 60 N 0.24 -0.40 1.93 2.17 0.00 -0.82 0.02 103.07 106.21 2jwa h GLY 60 Ca 0.08 0.17 -0.03 0.00 0.00 0.00 0.00 47.33 47.55 2jwa h GLY 60 CO -0.01 -0.16 -0.09 -2.22 0.00 0.00 0.00 176.54 174.06 2jwa h ILE 61 N -0.39 1.11 0.08 2.60 1.08 -1.16 -2.10 117.51 118.72 2jwa h ILE 61 Ca -0.02 -0.47 -0.00 0.00 -0.39 0.00 0.00 64.86 63.98 2jwa h ILE 61 Cb 0.33 1.16 0.00 0.00 -3.07 0.00 0.00 36.82 35.23 2jwa h ILE 61 CO 0.02 0.14 -0.04 0.25 -0.69 0.00 0.00 178.15 177.83 2jwa h LEU 62 N 0.09 -0.09 -1.30 1.44 5.85 -0.51 -2.46 115.31 118.34 2jwa h LEU 62 Ca 0.02 -0.40 0.05 0.00 0.84 0.00 0.00 57.88 58.39 2jwa h LEU 62 Cb 0.22 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.23 2jwa h LEU 62 CO 0.01 0.37 0.51 0.25 -0.34 0.00 0.00 178.44 179.24 2jwa h LEU 63 N -0.59 0.76 0.86 2.25 7.12 -0.80 -1.45 115.31 123.45 2jwa h LEU 63 Ca -0.01 -0.00 -0.04 0.00 0.13 0.00 0.00 57.88 57.96 2jwa h LEU 63 Cb 0.49 -0.16 0.01 0.00 -0.53 0.00 0.00 40.66 40.46 2jwa h LEU 63 CO 0.02 0.50 -0.41 0.58 -0.13 0.00 0.00 178.44 179.00 2jwa h VAL 64 N 0.87 0.00 -0.57 1.05 2.07 -1.36 -1.83 116.25 116.47 2jwa h VAL 64 Ca 0.32 -0.15 0.11 0.00 0.82 0.00 0.00 66.70 67.80 2jwa h VAL 64 Cb 0.17 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 29.86 2jwa h VAL 64 CO -0.11 0.00 0.09 0.58 0.02 0.00 0.00 177.57 178.15 2jwa h VAL 65 N -1.31 0.62 -0.93 2.57 2.07 -1.25 -0.06 116.25 117.95 2jwa h VAL 65 Ca -0.12 -0.07 0.08 0.00 0.82 0.00 0.00 66.70 67.41 2jwa h VAL 65 Cb 0.88 0.39 -0.07 0.00 -1.52 0.00 0.00 31.29 30.98 2jwa h VAL 65 CO 0.19 0.04 0.60 0.58 0.02 0.00 0.00 177.57 179.01 2jwa h VAL 66 N 0.21 1.02 -0.00 2.57 2.07 -1.25 -1.90 116.25 118.96 2jwa h VAL 66 Ca 0.30 -0.35 -0.00 0.00 0.82 0.00 0.00 66.70 67.47 2jwa h VAL 66 Cb 0.45 -0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.14 2jwa h VAL 66 CO -0.41 0.18 0.00 0.25 0.02 0.00 0.00 177.57 177.61 2jwa h LEU 67 N 1.01 0.01 -0.62 2.57 7.12 -0.15 -2.38 115.31 122.87 2jwa h LEU 67 Ca 0.42 -0.21 0.07 0.00 0.13 0.00 0.00 57.88 58.29 2jwa h LEU 67 Cb 0.30 -0.00 -0.06 0.00 -0.53 0.00 0.00 40.66 40.37 2jwa h LEU 67 CO -0.18 0.22 0.30 1.23 -0.13 0.00 0.00 178.44 179.88 2jwa h GLY 68 N -0.20 0.89 0.91 3.75 0.00 -0.82 -0.53 103.07 107.07 2jwa h GLY 68 Ca 0.00 -0.19 0.01 0.00 0.00 0.00 0.00 47.33 47.15 2jwa h GLY 68 CO -0.00 0.08 0.05 -2.08 0.00 0.00 0.00 176.54 174.59 2jwa h VAL 69 N 0.54 0.98 0.39 4.60 2.07 -1.29 -0.82 116.25 122.72 2jwa h VAL 69 Ca 0.29 -0.04 -0.02 0.00 0.82 0.00 0.00 66.70 67.75 2jwa h VAL 69 Cb 0.26 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 2jwa h VAL 69 CO -0.23 0.02 -0.20 0.58 0.02 0.00 0.00 177.57 177.76 2jwa h VAL 70 N 0.12 0.58 -0.18 2.57 2.07 -0.98 -1.90 116.25 118.54 2jwa h VAL 70 Ca 0.06 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.63 2jwa h VAL 70 Cb 0.03 0.58 -0.06 0.00 -1.52 0.00 0.00 31.29 30.31 2jwa h VAL 70 CO -0.05 0.00 -0.26 0.15 0.02 0.00 0.00 177.57 177.43 2jwa h PHE 71 N -0.55 -0.69 0.09 1.57 3.57 -1.01 0.27 116.94 120.19 2jwa h PHE 71 Ca -0.05 0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.51 2jwa h PHE 71 Cb 0.43 0.33 -0.05 0.00 2.79 0.00 0.00 35.95 39.45 2jwa h PHE 71 CO -0.06 -0.34 -0.46 0.78 -2.23 0.00 0.00 178.31 176.00 2jwa h GLY 72 N -0.30 -0.93 0.79 2.40 0.00 -1.05 0.61 103.07 104.59 2jwa h GLY 72 Ca 0.11 0.55 0.05 0.00 0.00 0.00 0.00 47.33 48.05 2jwa h GLY 72 CO -0.35 -0.26 0.64 -2.22 0.00 0.00 0.00 176.54 174.35 2jwa h ILE 73 N -0.67 1.12 0.89 2.60 2.04 -1.07 -1.92 117.51 120.51 2jwa h ILE 73 Ca 0.02 -0.41 -0.04 0.00 1.00 0.00 0.00 64.86 65.43 2jwa h ILE 73 Cb 0.70 -0.18 0.00 0.00 -0.74 0.00 0.00 36.82 36.60 2jwa h ILE 73 CO -0.28 0.22 -0.49 -0.07 0.00 0.00 0.00 178.15 177.53 2jwa h LEU 74 N 1.20 -1.21 -1.49 1.44 3.38 0.25 0.55 115.31 119.44 2jwa h LEU 74 Ca 0.41 0.06 0.20 0.00 0.09 0.00 0.00 57.88 58.64 2jwa h LEU 74 Cb 0.10 0.34 -0.07 0.00 0.09 0.00 0.00 40.66 41.12 2jwa h LEU 74 CO -0.15 -0.79 0.60 0.40 0.09 0.00 0.00 178.44 178.59 2jwa h ILE 75 N -1.28 0.68 0.32 1.22 2.04 -0.73 0.25 117.51 120.01 2jwa h ILE 75 Ca -0.12 -0.15 -0.02 0.00 1.00 0.00 0.00 64.86 65.58 2jwa h ILE 75 Cb 1.01 0.22 0.00 0.00 -0.74 0.00 0.00 36.82 37.31 2jwa h ILE 75 CO 0.16 0.08 -0.15 0.11 0.00 0.00 0.00 178.15 178.34 2jwa h LYS 76 N 0.42 -0.42 -0.64 2.37 1.57 -0.95 -1.68 116.57 117.25 2jwa h LYS 76 Ca 0.47 0.03 0.01 0.00 -1.87 0.00 0.00 60.65 59.29 2jwa h LYS 76 Cb 1.15 0.09 -0.03 0.00 0.08 0.00 0.00 32.23 33.53 2jwa h LYS 76 CO -0.19 -0.09 0.42 0.00 -0.57 0.00 0.00 179.45 179.03 2jwa h ARG 77 N -0.85 0.84 -0.50 3.15 2.47 -0.10 -2.34 114.38 117.05 2jwa h ARG 77 Ca -0.04 -0.05 -0.06 0.00 -1.26 0.00 0.00 59.98 58.56 2jwa h ARG 77 Cb 0.52 -0.19 -0.02 0.00 -1.65 0.00 0.00 29.97 28.63 2jwa h ARG 77 CO 0.07 0.56 0.06 0.00 0.56 0.00 0.00 179.97 181.22 2jwa h ARG 78 N 0.87 0.85 -2.50 0.04 3.08 -0.52 -3.46 114.38 112.72 2jwa h ARG 78 Ca 0.23 -0.24 -0.31 0.00 0.07 0.00 0.00 59.98 59.74 2jwa h ARG 78 Cb -0.10 -0.09 -0.06 0.00 0.08 0.00 0.00 29.97 29.79 2jwa h ARG 78 CO -0.05 0.85 -0.34 1.04 -1.07 0.00 0.00 179.97 180.40 2jwa n GLN 79 N -4.39 -1.72 -1.90 0.04 6.02 -0.64 -4.87 117.38 109.93 2jwa n GLN 79 Ca 0.01 0.81 -0.42 0.00 -0.01 0.00 0.00 57.00 57.39 2jwa n GLN 79 Cb 0.27 -5.28 -0.03 0.00 1.02 0.00 0.00 30.24 26.23 2jwa n GLN 79 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 2jwa s GLN 80 N -4.23 4.19 -0.42 -1.09 2.00 -1.26 -4.92 119.66 113.93 2jwa s GLN 80 Ca 0.00 2.37 0.10 0.00 -2.00 0.00 0.00 55.36 55.83 2jwa s GLN 80 Cb 0.00 -3.50 0.41 0.00 0.80 0.00 0.00 33.01 30.72 2jwa s GLN 80 CO 0.00 -0.72 0.98 1.63 -0.50 0.00 0.00 175.29 176.68 2jwa n LYS 81 N 5.25 2.36 -3.16 1.67 4.76 -1.26 -4.93 118.16 122.84 2jwa n LYS 81 Ca 0.16 -4.02 -0.30 0.00 -2.87 0.00 0.00 58.31 51.27 2jwa n LYS 81 Cb 0.40 -1.86 -0.05 0.00 -1.84 0.00 0.00 35.03 31.68 2jwa n LYS 81 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 2jwa n ILE 82 N -0.21 3.32 -3.24 -0.18 5.41 -1.26 -4.91 119.36 118.29 2jwa n ILE 82 Ca 0.26 -5.50 -0.28 0.00 1.00 0.00 0.00 62.75 58.23 2jwa n ILE 82 Cb 0.67 -1.85 -0.06 0.00 -0.71 0.00 0.00 39.64 37.68 2jwa n ILE 82 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 2jwa n ARG 83 N 0.52 2.94 -0.49 0.38 5.12 -1.26 -5.33 116.66 118.55 2jwa n ARG 83 Ca 0.31 -4.73 0.00 0.00 -1.93 0.00 0.00 57.85 51.50 2jwa n ARG 83 Cb 0.38 -2.27 0.00 0.00 -1.16 0.00 0.00 32.46 29.41 2jwa n ARG 83 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33