#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 -0.32 3.96 0.14 0.00 0.04 -1.26 -4.90 135.00 132.66 2jwa s PRO 43 Ca 0.34 1.79 -0.02 0.00 0.04 0.00 0.00 61.00 63.15 2jwa s PRO 43 Cb 0.20 -3.98 -0.06 0.00 0.04 0.00 0.00 34.50 30.69 2jwa s PRO 43 CO -0.17 -1.09 1.33 0.00 0.04 0.00 0.00 177.00 177.10 2jwa h ALA 44 N 10.04 0.42 -4.71 8.56 0.00 -2.08 -3.47 119.26 128.02 2jwa h ALA 44 Ca -0.34 -0.71 -0.41 0.00 0.00 0.00 0.00 54.91 53.45 2jwa h ALA 44 Cb 1.15 -0.04 0.07 0.00 0.00 0.00 0.00 17.79 18.97 2jwa h ALA 44 CO 0.99 0.85 -0.62 -1.91 0.00 0.00 0.00 179.25 178.55 2jwa n GLU 45 N -3.72 -5.36 0.06 0.00 4.07 -1.26 -4.89 120.64 109.54 2jwa n GLU 45 Ca -0.06 0.90 -0.04 0.00 -0.06 0.00 0.00 57.16 57.90 2jwa n GLU 45 Cb 0.82 -5.79 -0.09 0.00 -0.06 0.00 0.00 31.44 26.32 2jwa n GLU 45 CO 0.00 0.00 0.00 0.37 -0.06 0.00 0.00 177.13 177.44 2jwa h GLN 46 N -1.59 0.00 -5.94 5.31 5.75 -2.02 -3.48 115.11 113.14 2jwa h GLN 46 Ca -0.54 0.00 -0.41 0.00 -0.15 0.00 0.00 58.65 57.55 2jwa h GLN 46 Cb 1.37 0.00 0.10 0.00 1.07 0.00 0.00 27.48 30.02 2jwa h GLN 46 CO 0.57 0.70 -0.70 0.54 -2.65 0.00 0.00 178.83 177.29 2jwa n ARG 47 N -3.20 -7.38 -2.82 1.69 1.74 -1.26 -4.92 116.66 100.50 2jwa n ARG 47 Ca -0.04 0.78 -0.11 0.00 -0.77 0.00 0.00 57.85 57.71 2jwa n ARG 47 Cb 0.90 -5.79 0.05 0.00 -1.02 0.00 0.00 32.46 26.60 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 -4.90 1.48 -3.54 7.54 0.00 -1.26 -5.02 120.51 114.81 2jwa n ALA 48 Ca -0.00 -2.34 -0.27 0.00 0.00 0.00 0.00 53.44 50.83 2jwa n ALA 48 Cb 0.56 -1.01 -0.09 0.00 0.00 0.00 0.00 19.45 18.91 2jwa n ALA 48 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2jwa n SER 49 N 0.00 3.15 0.25 0.00 7.64 -1.26 -4.89 113.62 118.51 2jwa n SER 49 Ca 0.09 -3.29 0.13 0.00 1.01 0.00 0.00 58.87 56.82 2jwa n SER 49 Cb 0.76 -0.69 0.60 0.00 -1.01 0.00 0.00 64.21 63.87 2jwa n SER 49 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2jwa h PRO 50 N 4.54 0.00 -0.62 1.43 0.13 -2.04 -3.02 132.00 132.43 2jwa h PRO 50 Ca 0.18 0.00 0.10 0.00 -0.87 0.00 0.00 66.00 65.41 2jwa h PRO 50 Cb 0.71 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.80 2jwa h PRO 50 CO 0.76 0.12 0.41 -0.07 -0.23 0.00 0.00 178.00 178.99 2jwa h LEU 51 N 0.00 0.37 -1.78 1.56 3.38 -2.02 -0.66 115.31 116.16 2jwa h LEU 51 Ca -0.00 0.01 0.21 0.00 0.09 0.00 0.00 57.88 58.19 2jwa h LEU 51 Cb 0.58 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.22 2jwa h LEU 51 CO 0.02 0.22 0.57 0.74 0.09 0.00 0.00 178.44 180.08 2jwa h THR 52 N 0.41 0.65 0.50 0.22 2.02 -1.96 -1.60 112.91 113.14 2jwa h THR 52 Ca 0.29 -0.06 -0.02 0.00 0.77 0.00 0.00 66.41 67.38 2jwa h THR 52 Cb 0.58 0.45 0.00 0.00 -1.74 0.00 0.00 68.15 67.44 2jwa h THR 52 CO -0.08 0.03 -0.24 0.28 0.37 0.00 0.00 175.52 175.88 2jwa h SER 53 N 0.18 -0.57 -0.75 4.18 0.02 -1.34 0.32 113.55 115.59 2jwa h SER 53 Ca 0.41 -0.06 0.14 0.00 -0.84 0.00 0.00 61.79 61.45 2jwa h SER 53 Cb 1.33 0.15 -0.10 0.00 0.14 0.00 0.00 62.40 63.92 2jwa h SER 53 CO -0.08 -0.18 0.29 0.40 -1.14 0.00 0.00 176.83 176.13 2jwa h ILE 54 N -1.06 0.65 -0.31 3.27 1.08 -1.46 0.26 117.51 119.93 2jwa h ILE 54 Ca -0.07 -0.15 -0.07 0.00 -0.39 0.00 0.00 64.86 64.19 2jwa h ILE 54 Cb 0.59 0.18 -0.01 0.00 -3.07 0.00 0.00 36.82 34.51 2jwa h ILE 54 CO 0.11 0.08 -0.07 0.40 -0.69 0.00 0.00 178.15 177.98 2jwa h ILE 55 N 0.43 1.28 -0.79 -0.67 2.04 -1.34 -1.88 117.51 116.57 2jwa h ILE 55 Ca 0.41 -1.10 -0.02 0.00 1.00 0.00 0.00 64.86 65.15 2jwa h ILE 55 Cb 0.64 1.37 -0.04 0.00 -0.74 0.00 0.00 36.82 38.05 2jwa h ILE 55 CO -0.41 0.35 0.43 0.77 0.00 0.00 0.00 178.15 179.30 2jwa h SER 56 N 0.36 0.99 -0.14 1.72 4.64 0.22 -2.20 113.55 119.14 2jwa h SER 56 Ca 0.08 -0.10 -0.01 0.00 -0.47 0.00 0.00 61.79 61.29 2jwa h SER 56 Cb 0.55 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.39 2jwa h SER 56 CO 0.03 0.81 0.04 0.00 -0.87 0.00 0.00 176.83 176.83 2jwa h ALA 57 N 1.23 0.19 -0.72 5.18 0.00 -0.46 -2.36 119.26 122.31 2jwa h ALA 57 Ca 0.28 -0.14 0.09 0.00 0.00 0.00 0.00 54.91 55.14 2jwa h ALA 57 Cb 0.03 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 17.70 2jwa h ALA 57 CO -0.04 -0.18 0.36 0.28 0.00 0.00 0.00 179.25 179.67 2jwa h VAL 58 N 0.03 0.86 -0.17 0.00 2.07 -1.14 0.00 116.25 117.90 2jwa h VAL 58 Ca 0.04 -0.21 -0.00 0.00 0.82 0.00 0.00 66.70 67.35 2jwa h VAL 58 Cb 0.25 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 2jwa h VAL 58 CO 0.00 0.11 0.10 0.58 0.02 0.00 0.00 177.57 178.38 2jwa h VAL 59 N 0.62 1.08 -0.18 2.57 2.07 -1.28 0.16 116.25 121.29 2jwa h VAL 59 Ca 0.35 -0.22 -0.00 0.00 0.82 0.00 0.00 66.70 67.65 2jwa h VAL 59 Cb 0.36 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 2jwa h VAL 59 CO -0.26 0.08 0.10 1.23 0.02 0.00 0.00 177.57 178.74 2jwa h GLY 60 N 0.18 0.27 1.85 2.17 0.00 -0.85 -0.66 103.07 106.03 2jwa h GLY 60 Ca 0.06 -0.12 -0.07 0.00 0.00 0.00 0.00 47.33 47.19 2jwa h GLY 60 CO -0.01 0.12 -0.27 -2.22 0.00 0.00 0.00 176.54 174.16 2jwa h ILE 61 N 0.20 1.24 -0.20 2.60 2.04 -0.93 -2.19 117.51 120.26 2jwa h ILE 61 Ca 0.06 -1.11 -0.08 0.00 1.00 0.00 0.00 64.86 64.73 2jwa h ILE 61 Cb 0.06 1.46 -0.00 0.00 -0.74 0.00 0.00 36.82 37.60 2jwa h ILE 61 CO -0.01 0.33 -0.19 0.25 0.00 0.00 0.00 178.15 178.53 2jwa h LEU 62 N 0.16 0.52 -0.88 1.44 5.85 -0.34 -2.46 115.31 119.61 2jwa h LEU 62 Ca 0.03 -0.47 -0.05 0.00 0.84 0.00 0.00 57.88 58.22 2jwa h LEU 62 Cb 0.57 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.42 2jwa h LEU 62 CO 0.04 0.89 0.21 0.25 -0.34 0.00 0.00 178.44 179.48 2jwa h LEU 63 N 0.17 0.96 0.64 2.25 7.12 -0.97 -2.23 115.31 123.25 2jwa h LEU 63 Ca 0.03 -0.17 -0.03 0.00 0.13 0.00 0.00 57.88 57.84 2jwa h LEU 63 Cb 0.73 -0.25 0.01 0.00 -0.53 0.00 0.00 40.66 40.62 2jwa h LEU 63 CO 0.05 0.90 -0.31 0.58 -0.13 0.00 0.00 178.44 179.53 2jwa h VAL 64 N 1.00 0.32 -0.38 1.05 2.07 -1.37 -1.88 116.25 117.05 2jwa h VAL 64 Ca 0.22 -0.14 0.08 0.00 0.82 0.00 0.00 66.70 67.68 2jwa h VAL 64 Cb 0.29 0.37 -0.08 0.00 -1.52 0.00 0.00 31.29 30.35 2jwa h VAL 64 CO -0.01 0.02 -0.12 0.58 0.02 0.00 0.00 177.57 178.06 2jwa h VAL 65 N -0.97 0.57 -0.94 2.57 2.07 -1.40 -0.35 116.25 117.79 2jwa h VAL 65 Ca -0.09 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.55 2jwa h VAL 65 Cb 0.69 0.57 -0.07 0.00 -1.52 0.00 0.00 31.29 30.96 2jwa h VAL 65 CO 0.15 0.00 0.60 0.58 0.02 0.00 0.00 177.57 178.92 2jwa h VAL 66 N -0.03 0.92 0.01 2.57 2.07 -1.37 -1.80 116.25 118.62 2jwa h VAL 66 Ca 0.19 -0.31 -0.00 0.00 0.82 0.00 0.00 66.70 67.40 2jwa h VAL 66 Cb 0.32 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.03 2jwa h VAL 66 CO -0.41 0.16 -0.01 0.25 0.02 0.00 0.00 177.57 177.58 2jwa h LEU 67 N 0.89 -0.01 -0.62 2.57 5.85 -0.25 -2.38 115.31 121.37 2jwa h LEU 67 Ca 0.46 -0.20 0.07 0.00 0.84 0.00 0.00 57.88 59.05 2jwa h LEU 67 Cb 0.51 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.48 2jwa h LEU 67 CO -0.22 0.19 0.30 1.23 -0.34 0.00 0.00 178.44 179.60 2jwa h GLY 68 N -0.22 0.89 0.90 3.75 0.00 -0.61 -1.14 103.07 106.65 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 0.06 -2.08 0.00 0.00 0.00 176.54 174.60 2jwa h VAL 69 N 0.55 0.98 0.27 4.60 2.07 -1.28 -1.21 116.25 122.23 2jwa h VAL 69 Ca 0.29 -0.05 -0.00 0.00 0.82 0.00 0.00 66.70 67.76 2jwa h VAL 69 Cb 0.26 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 2jwa h VAL 69 CO -0.23 0.03 -0.22 0.58 0.02 0.00 0.00 177.57 177.75 2jwa h VAL 70 N 0.14 0.53 -0.18 2.57 2.07 -0.97 -1.72 116.25 118.69 2jwa h VAL 70 Ca 0.06 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.64 2jwa h VAL 70 Cb 0.03 0.53 -0.06 0.00 -1.52 0.00 0.00 31.29 30.26 2jwa h VAL 70 CO -0.06 0.00 -0.26 0.15 0.02 0.00 0.00 177.57 177.42 2jwa h PHE 71 N -0.51 -0.69 0.11 1.57 3.57 -1.11 0.27 116.94 120.16 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 0.45 0.33 -0.05 0.00 2.79 0.00 0.00 35.95 39.48 2jwa h PHE 71 CO -0.13 -0.34 -0.47 0.78 -2.23 0.00 0.00 178.31 175.92 2jwa h GLY 72 N -0.30 -0.98 0.77 2.40 0.00 -1.07 0.76 103.07 104.64 2jwa h GLY 72 Ca 0.11 0.57 0.06 0.00 0.00 0.00 0.00 47.33 48.07 2jwa h GLY 72 CO -0.35 -0.27 0.65 -2.22 0.00 0.00 0.00 176.54 174.36 2jwa h ILE 73 N -0.70 1.11 0.93 2.60 1.08 -1.05 0.35 117.51 121.84 2jwa h ILE 73 Ca 0.01 -0.41 -0.04 0.00 -0.39 0.00 0.00 64.86 64.03 2jwa h ILE 73 Cb 0.72 -0.20 0.01 0.00 -3.07 0.00 0.00 36.82 34.28 2jwa h ILE 73 CO -0.27 0.22 -0.48 -0.07 -0.69 0.00 0.00 178.15 176.86 2jwa h LEU 74 N 1.20 -1.17 -1.88 1.44 3.38 0.25 0.69 115.31 119.22 2jwa h LEU 74 Ca 0.43 0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.48 2jwa h LEU 74 Cb 0.13 0.32 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 2jwa h LEU 74 CO -0.16 -0.79 0.15 0.40 0.09 0.00 0.00 178.44 178.12 2jwa h ILE 75 N -1.30 0.98 0.46 1.22 1.08 -0.69 -0.69 117.51 118.57 2jwa h ILE 75 Ca -0.13 -0.05 -0.02 0.00 -0.39 0.00 0.00 64.86 64.27 2jwa h ILE 75 Cb 1.01 0.81 0.00 0.00 -3.07 0.00 0.00 36.82 35.57 2jwa h ILE 75 CO 0.19 0.03 -0.22 0.11 -0.69 0.00 0.00 178.15 177.57 2jwa h LYS 76 N 0.16 -0.59 -0.83 2.37 1.57 -0.59 -0.77 116.57 117.89 2jwa h LYS 76 Ca 0.09 0.04 0.03 0.00 -1.87 0.00 0.00 60.65 58.94 2jwa h LYS 76 Cb 0.17 0.13 -0.05 0.00 0.08 0.00 0.00 32.23 32.56 2jwa h LYS 76 CO -0.01 -0.29 0.53 0.00 -0.57 0.00 0.00 179.45 179.11 2jwa h ARG 77 N -0.97 1.00 -0.75 3.15 3.08 -0.60 -2.13 114.38 117.15 2jwa h ARG 77 Ca -0.06 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 59.88 2jwa h ARG 77 Cb 0.58 -0.23 -0.03 0.00 0.08 0.00 0.00 29.97 30.37 2jwa h ARG 77 CO 0.10 0.66 0.28 0.00 -1.07 0.00 0.00 179.97 179.95 2jwa h ARG 78 N 1.03 1.13 -0.97 0.04 3.08 -1.15 -2.53 114.38 115.00 2jwa h ARG 78 Ca 0.33 -0.21 0.22 0.00 0.07 0.00 0.00 59.98 60.39 2jwa h ARG 78 Cb 0.02 -0.18 -0.09 0.00 0.08 0.00 0.00 29.97 29.80 2jwa h ARG 78 CO -0.12 0.93 0.63 1.96 -1.07 0.00 0.00 179.97 182.30 2jwa h GLN 79 N 1.10 0.49 0.35 0.04 1.08 -0.43 -1.92 115.11 115.82 2jwa h GLN 79 Ca 0.25 -0.03 -0.02 0.00 -1.45 0.00 0.00 58.65 57.40 2jwa h GLN 79 Cb 0.24 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 27.56 2jwa h GLN 79 CO -0.02 0.32 -0.17 1.96 -0.95 0.00 0.00 178.83 179.98 2jwa h GLN 80 N 0.50 -0.46 -2.02 1.46 1.08 -1.41 -3.48 115.11 110.78 2jwa h GLN 80 Ca 0.54 0.03 0.14 0.00 -1.45 0.00 0.00 58.65 57.91 2jwa h GLN 80 Cb 1.20 0.10 -0.17 0.00 -0.05 0.00 0.00 27.48 28.56 2jwa h GLN 80 CO -0.27 -0.14 0.57 -1.59 -0.95 0.00 0.00 178.83 176.46 2jwa s LYS 81 N -4.44 0.68 -0.72 1.46 -2.85 -0.72 -5.08 119.74 108.06 2jwa s LYS 81 Ca -0.14 -0.21 0.04 0.00 -1.00 0.00 0.00 55.97 54.66 2jwa s LYS 81 Cb 0.02 0.31 0.29 0.00 -2.06 0.00 0.00 37.83 36.39 2jwa s LYS 81 CO 0.50 -0.29 1.01 -0.89 0.10 0.00 0.00 175.35 175.78 2jwa n ILE 82 N -0.11 3.34 -3.53 3.79 5.41 -1.26 -4.38 119.36 122.62 2jwa n ILE 82 Ca -0.07 -5.50 -0.23 0.00 1.00 0.00 0.00 62.75 57.95 2jwa n ILE 82 Cb 0.61 -1.85 0.05 0.00 -0.71 0.00 0.00 39.64 37.74 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 0.51 -2.83 -0.38 0.38 0.63 -1.26 -5.20 116.66 108.51 2jwa n ARG 83 Ca 0.31 0.66 0.00 0.00 -0.92 0.00 0.00 57.85 57.90 2jwa n ARG 83 Cb 0.38 -5.06 0.00 0.00 0.45 0.00 0.00 32.46 28.23 2jwa n ARG 83 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75