#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 -4.65 4.26 0.05 0.00 0.04 -1.26 -5.01 135.00 128.43 2jwa s PRO 43 Ca 0.67 2.02 -0.06 0.00 0.04 0.00 0.00 61.00 63.67 2jwa s PRO 43 Cb -0.23 -3.60 -0.01 0.00 0.04 0.00 0.00 34.50 30.71 2jwa s PRO 43 CO 0.58 -0.61 0.12 0.00 0.04 0.00 0.00 177.00 177.13 2jwa s ALA 44 N 2.52 -0.10 0.48 8.56 0.00 -1.26 -5.18 121.76 126.79 2jwa s ALA 44 Ca 0.66 -0.56 0.04 0.00 0.00 0.00 0.00 51.96 52.09 2jwa s ALA 44 Cb -0.33 0.29 -0.02 0.00 0.00 0.00 0.00 23.12 23.06 2jwa s ALA 44 CO 0.27 -0.36 0.10 -1.21 0.00 0.00 0.00 175.76 174.57 2jwa s GLU 45 N -2.86 2.17 0.32 0.00 8.01 -1.26 -5.16 118.70 119.91 2jwa s GLU 45 Ca -0.03 -2.20 0.03 0.00 0.01 0.00 0.00 54.97 52.78 2jwa s GLU 45 Cb 0.00 -1.71 -0.04 0.00 -4.31 0.00 0.00 34.13 28.07 2jwa s GLU 45 CO -0.06 -0.32 0.16 -0.65 0.01 0.00 0.00 175.26 174.41 2jwa s GLN 46 N -3.92 1.64 0.00 1.61 1.11 -1.26 -5.12 119.66 113.72 2jwa s GLN 46 Ca 0.21 -1.94 0.00 0.00 0.01 0.00 0.00 55.36 53.63 2jwa s GLN 46 Cb 0.03 -0.17 0.00 0.00 -1.01 0.00 0.00 33.01 31.86 2jwa s GLN 46 CO 0.12 -0.45 0.00 0.54 0.01 0.00 0.00 175.29 175.50 2jwa n ARG 47 N -0.62 0.00 -2.74 2.91 3.00 -1.26 -4.96 116.66 112.99 2jwa n ARG 47 Ca 0.00 0.08 -0.09 0.00 -0.01 0.00 0.00 57.85 57.84 2jwa n ARG 47 Cb 0.65 -0.51 0.09 0.00 0.00 0.00 0.00 32.46 32.69 2jwa n ARG 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2jwa n ALA 48 N -2.20 0.11 -3.19 7.54 0.00 -1.26 -5.03 120.51 116.48 2jwa n ALA 48 Ca 0.00 -1.52 -0.23 0.00 0.00 0.00 0.00 53.44 51.69 2jwa n ALA 48 Cb 0.00 -1.09 -0.06 0.00 0.00 0.00 0.00 19.45 18.30 2jwa n ALA 48 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2jwa n SER 49 N 0.02 0.38 0.04 0.00 3.41 -1.26 -4.93 113.62 111.27 2jwa n SER 49 Ca 0.04 -2.76 0.08 0.00 -0.26 0.00 0.00 58.87 55.96 2jwa n SER 49 Cb 0.75 -0.64 0.35 0.00 -0.26 0.00 0.00 64.21 64.42 2jwa n SER 49 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 2jwa n PRO 50 N 1.21 0.05 0.15 4.33 -0.04 -1.26 -2.28 135.00 137.17 2jwa n PRO 50 Ca 0.22 0.31 0.05 0.00 -0.04 0.00 0.00 63.50 64.04 2jwa n PRO 50 Cb 0.55 -1.60 0.05 0.00 -0.04 0.00 0.00 33.50 32.46 2jwa n PRO 50 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2jwa h LEU 51 N 0.00 0.00 -1.67 1.53 3.38 -2.02 -3.28 115.31 113.26 2jwa h LEU 51 Ca 0.00 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.08 2jwa h LEU 51 Cb 0.27 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.98 2jwa h LEU 51 CO 0.00 0.35 0.41 0.74 0.09 0.00 0.00 178.44 180.03 2jwa h THR 52 N 0.00 0.87 0.51 0.22 2.02 -1.88 -1.63 112.91 113.01 2jwa h THR 52 Ca -0.02 -0.13 -0.02 0.00 0.77 0.00 0.00 66.41 67.01 2jwa h THR 52 Cb 1.28 0.47 0.00 0.00 -1.74 0.00 0.00 68.15 68.16 2jwa h THR 52 CO 0.04 0.07 -0.24 0.77 0.37 0.00 0.00 175.52 176.53 2jwa h SER 53 N 0.37 -0.58 -0.72 4.18 4.64 -1.76 0.54 113.55 120.21 2jwa h SER 53 Ca 0.29 -0.06 0.14 0.00 -0.47 0.00 0.00 61.79 61.69 2jwa h SER 53 Cb 0.63 0.15 -0.09 0.00 -0.31 0.00 0.00 62.40 62.78 2jwa h SER 53 CO -0.08 -0.19 0.26 0.40 -0.87 0.00 0.00 176.83 176.36 2jwa h ILE 54 N -1.06 0.65 -0.36 0.95 1.08 -1.64 0.27 117.51 117.40 2jwa h ILE 54 Ca -0.07 -0.14 -0.08 0.00 -0.39 0.00 0.00 64.86 64.19 2jwa h ILE 54 Cb 0.60 0.21 -0.01 0.00 -3.07 0.00 0.00 36.82 34.55 2jwa h ILE 54 CO 0.11 0.07 -0.07 0.40 -0.69 0.00 0.00 178.15 177.98 2jwa h ILE 55 N 0.40 1.27 -0.74 -0.67 2.04 -1.33 -1.85 117.51 116.64 2jwa h ILE 55 Ca 0.39 -1.12 -0.03 0.00 1.00 0.00 0.00 64.86 65.11 2jwa h ILE 55 Cb 0.60 1.27 -0.03 0.00 -0.74 0.00 0.00 36.82 37.91 2jwa h ILE 55 CO -0.41 0.37 0.36 0.28 0.00 0.00 0.00 178.15 178.75 2jwa h SER 56 N 0.48 0.96 -0.16 1.72 0.02 0.29 -2.18 113.55 114.68 2jwa h SER 56 Ca 0.09 -0.13 -0.02 0.00 -0.84 0.00 0.00 61.79 60.90 2jwa h SER 56 Cb 0.57 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.86 2jwa h SER 56 CO 0.03 0.82 0.04 0.00 -1.14 0.00 0.00 176.83 176.58 2jwa h ALA 57 N 1.18 0.21 -0.96 3.77 0.00 -0.44 -2.33 119.26 120.69 2jwa h ALA 57 Ca 0.25 -0.15 0.10 0.00 0.00 0.00 0.00 54.91 55.11 2jwa h ALA 57 Cb 0.11 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 17.76 2jwa h ALA 57 CO -0.03 -0.15 0.60 0.28 0.00 0.00 0.00 179.25 179.95 2jwa h VAL 58 N 0.06 0.97 -0.19 0.00 2.07 -1.16 0.15 116.25 118.16 2jwa h VAL 58 Ca 0.05 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 2jwa h VAL 58 Cb 0.26 -0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 29.90 2jwa h VAL 58 CO 0.00 0.18 0.06 0.58 0.02 0.00 0.00 177.57 178.42 2jwa h VAL 59 N 1.01 1.18 -0.29 2.57 2.07 -1.23 -0.14 116.25 121.42 2jwa h VAL 59 Ca 0.45 -0.57 -0.02 0.00 0.82 0.00 0.00 66.70 67.38 2jwa h VAL 59 Cb 0.35 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 2jwa h VAL 59 CO -0.23 0.18 0.11 1.23 0.02 0.00 0.00 177.57 178.88 2jwa h GLY 60 N 0.14 0.48 2.00 2.17 0.00 -0.84 -1.89 103.07 105.13 2jwa h GLY 60 Ca 0.06 -0.27 -0.05 0.00 0.00 0.00 0.00 47.33 47.07 2jwa h GLY 60 CO -0.00 0.25 -0.25 -2.22 0.00 0.00 0.00 176.54 174.32 2jwa h ILE 61 N 0.32 0.93 -0.10 2.60 2.04 -0.95 -2.23 117.51 120.11 2jwa h ILE 61 Ca 0.10 -0.96 -0.06 0.00 1.00 0.00 0.00 64.86 64.94 2jwa h ILE 61 Cb 0.21 1.56 0.00 0.00 -0.74 0.00 0.00 36.82 37.84 2jwa h ILE 61 CO -0.01 0.25 -0.18 0.25 0.00 0.00 0.00 178.15 178.46 2jwa h LEU 62 N 0.00 0.34 -0.86 1.44 6.46 -0.67 -2.44 115.31 119.59 2jwa h LEU 62 Ca -0.00 -0.55 -0.07 0.00 -0.12 0.00 0.00 57.88 57.15 2jwa h LEU 62 Cb 0.54 -0.10 -0.03 0.00 -0.73 0.00 0.00 40.66 40.34 2jwa h LEU 62 CO 0.03 0.82 0.11 0.25 -0.62 0.00 0.00 178.44 179.03 2jwa h LEU 63 N -0.13 0.91 0.47 2.25 7.12 -1.20 -2.29 115.31 122.44 2jwa h LEU 63 Ca 0.01 -0.19 -0.02 0.00 0.13 0.00 0.00 57.88 57.80 2jwa h LEU 63 Cb 0.75 -0.24 0.00 0.00 -0.53 0.00 0.00 40.66 40.65 2jwa h LEU 63 CO 0.04 0.91 -0.23 0.58 -0.13 0.00 0.00 178.44 179.61 2jwa h VAL 64 N 0.91 0.53 -0.40 1.05 2.07 -1.42 -1.91 116.25 117.08 2jwa h VAL 64 Ca 0.19 -0.18 0.07 0.00 0.82 0.00 0.00 66.70 67.60 2jwa h VAL 64 Cb 0.38 0.61 -0.06 0.00 -1.52 0.00 0.00 31.29 30.69 2jwa h VAL 64 CO 0.01 0.03 -0.01 0.58 0.02 0.00 0.00 177.57 178.20 2jwa h VAL 65 N -0.74 0.69 -0.93 2.57 2.07 -1.39 -0.90 116.25 117.63 2jwa h VAL 65 Ca -0.06 -0.03 0.10 0.00 0.82 0.00 0.00 66.70 67.52 2jwa h VAL 65 Cb 0.54 0.59 -0.07 0.00 -1.52 0.00 0.00 31.29 30.82 2jwa h VAL 65 CO 0.11 0.02 0.60 0.58 0.02 0.00 0.00 177.57 178.89 2jwa h VAL 66 N 0.10 0.98 -0.00 2.57 2.07 -1.35 -1.86 116.25 118.75 2jwa h VAL 66 Ca 0.19 -0.32 -0.00 0.00 0.82 0.00 0.00 66.70 67.39 2jwa h VAL 66 Cb 0.28 -0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 29.99 2jwa h VAL 66 CO -0.33 0.17 0.00 0.25 0.02 0.00 0.00 177.57 177.68 2jwa h LEU 67 N 0.95 0.00 -0.64 2.57 5.85 -0.36 -2.37 115.31 121.31 2jwa h LEU 67 Ca 0.43 -0.21 0.07 0.00 0.84 0.00 0.00 57.88 59.01 2jwa h LEU 67 Cb 0.39 -0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.36 2jwa h LEU 67 CO -0.19 0.21 0.32 1.23 -0.34 0.00 0.00 178.44 179.67 2jwa h GLY 68 N -0.21 0.92 0.93 3.75 0.00 -0.73 -1.13 103.07 106.60 2jwa h GLY 68 Ca 0.00 -0.21 0.01 0.00 0.00 0.00 0.00 47.33 47.13 2jwa h GLY 68 CO -0.00 0.09 0.07 -2.08 0.00 0.00 0.00 176.54 174.62 2jwa h VAL 69 N 0.58 0.99 0.28 4.60 2.07 -1.28 -1.24 116.25 122.25 2jwa h VAL 69 Ca 0.30 -0.05 -0.00 0.00 0.82 0.00 0.00 66.70 67.76 2jwa h VAL 69 Cb 0.25 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 2jwa h VAL 69 CO -0.22 0.03 -0.22 0.58 0.02 0.00 0.00 177.57 177.76 2jwa h VAL 70 N 0.15 0.54 -0.18 2.57 2.07 -0.99 -1.76 116.25 118.66 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 0.01 0.54 -0.06 0.00 -1.52 0.00 0.00 31.29 30.26 2jwa h VAL 70 CO -0.04 0.00 -0.26 0.15 0.02 0.00 0.00 177.57 177.44 2jwa h PHE 71 N -0.50 -0.69 0.10 1.57 3.57 -1.11 0.27 116.94 120.15 2jwa h PHE 71 Ca -0.02 0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.54 2jwa h PHE 71 Cb 0.44 0.33 -0.05 0.00 2.79 0.00 0.00 35.95 39.46 2jwa h PHE 71 CO -0.12 -0.34 -0.46 0.78 -2.23 0.00 0.00 178.31 175.94 2jwa h GLY 72 N -0.30 -0.95 0.77 2.40 0.00 -1.08 0.59 103.07 104.50 2jwa h GLY 72 Ca 0.12 0.56 0.06 0.00 0.00 0.00 0.00 47.33 48.06 2jwa h GLY 72 CO -0.35 -0.27 0.65 -2.22 0.00 0.00 0.00 176.54 174.35 2jwa h ILE 73 N -0.68 1.11 0.85 2.60 1.08 -1.04 -1.50 117.51 119.92 2jwa h ILE 73 Ca 0.02 -0.41 -0.04 0.00 -0.39 0.00 0.00 64.86 64.04 2jwa h ILE 73 Cb 0.71 -0.19 0.00 0.00 -3.07 0.00 0.00 36.82 34.27 2jwa h ILE 73 CO -0.27 0.22 -0.46 -0.07 -0.69 0.00 0.00 178.15 176.87 2jwa h LEU 74 N 1.19 -1.14 -0.70 1.44 3.38 0.26 0.80 115.31 120.54 2jwa h LEU 74 Ca 0.42 0.05 0.12 0.00 0.09 0.00 0.00 57.88 58.56 2jwa h LEU 74 Cb 0.12 0.32 -0.08 0.00 0.09 0.00 0.00 40.66 41.11 2jwa h LEU 74 CO -0.16 -0.75 0.28 0.40 0.09 0.00 0.00 178.44 178.31 2jwa h ILE 75 N -1.21 0.73 -0.40 1.22 2.04 -0.71 0.62 117.51 119.79 2jwa h ILE 75 Ca -0.11 -0.16 -0.00 0.00 1.00 0.00 0.00 64.86 65.59 2jwa h ILE 75 Cb 0.95 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 37.24 2jwa h ILE 75 CO 0.15 0.08 0.25 0.11 0.00 0.00 0.00 178.15 178.74 2jwa h LYS 76 N 0.46 0.54 -0.44 2.37 1.57 -1.10 0.16 116.57 120.13 2jwa h LYS 76 Ca 0.37 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 59.09 2jwa h LYS 76 Cb 0.50 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.67 2jwa h LYS 76 CO -0.35 0.40 0.22 0.00 -0.57 0.00 0.00 179.45 179.15 2jwa h ARG 77 N 0.53 0.64 -0.46 3.15 3.08 0.24 -2.89 114.38 118.66 2jwa h ARG 77 Ca 0.14 -0.09 -0.06 0.00 0.07 0.00 0.00 59.98 60.05 2jwa h ARG 77 Cb -0.01 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 29.91 2jwa h ARG 77 CO -0.03 0.54 0.06 0.00 -1.07 0.00 0.00 179.97 179.47 2jwa h ARG 78 N 0.58 0.77 -0.96 0.04 2.47 -0.67 -2.78 114.38 113.82 2jwa h ARG 78 Ca 0.15 -0.21 0.22 0.00 -1.26 0.00 0.00 59.98 58.88 2jwa h ARG 78 Cb 0.10 -0.09 -0.08 0.00 -1.65 0.00 0.00 29.97 28.26 2jwa h ARG 78 CO -0.02 0.79 0.63 1.96 0.56 0.00 0.00 179.97 183.89 2jwa h GLN 79 N 0.63 0.44 -5.97 0.04 1.08 -0.49 -3.37 115.11 107.47 2jwa h GLN 79 Ca 0.14 -0.03 -0.51 0.00 -1.45 0.00 0.00 58.65 56.80 2jwa h GLN 79 Cb 0.40 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.71 2jwa h GLN 79 CO 0.01 0.29 1.40 -0.65 -0.95 0.00 0.00 178.83 178.93 2jwa s GLN 80 N -5.50 2.70 0.39 1.46 -1.52 -1.05 -4.96 119.66 111.18 2jwa s GLN 80 Ca -0.09 1.04 -0.22 0.00 -1.95 0.00 0.00 55.36 54.14 2jwa s GLN 80 Cb 0.24 -4.39 -0.11 0.00 -0.22 0.00 0.00 33.01 28.54 2jwa s GLN 80 CO 0.79 -2.62 0.94 0.21 -0.25 0.00 0.00 175.29 174.36 2jwa s LYS 81 N 6.95 4.34 -0.72 2.91 2.20 -1.26 -5.01 119.74 129.15 2jwa s LYS 81 Ca 0.78 1.17 0.04 0.00 -0.36 0.00 0.00 55.97 57.60 2jwa s LYS 81 Cb -0.17 -2.40 0.29 0.00 -1.51 0.00 0.00 37.83 34.04 2jwa s LYS 81 CO 0.26 0.08 1.00 -0.89 -0.36 0.00 0.00 175.35 175.44 2jwa n ILE 82 N -0.22 3.32 -3.10 5.43 5.41 -1.26 -4.92 119.36 124.02 2jwa n ILE 82 Ca 0.05 -5.50 -0.19 0.00 1.00 0.00 0.00 62.75 58.11 2jwa n ILE 82 Cb 0.53 -1.86 0.02 0.00 -0.71 0.00 0.00 39.64 37.62 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 0.53 -2.22 -0.51 0.38 1.74 -1.26 -5.34 116.66 109.98 2jwa n ARG 83 Ca 0.31 1.87 0.00 0.00 -0.77 0.00 0.00 57.85 59.26 2jwa n ARG 83 Cb 0.38 -4.27 0.00 0.00 -1.02 0.00 0.00 32.46 27.55 2jwa n ARG 83 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28