#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jwa n PRO 43 N 1.67 -3.18 -3.00 0.00 -0.04 -1.26 -4.96 135.00 124.24 2jwa n PRO 43 Ca 0.24 -1.77 -0.44 0.00 -0.04 0.00 0.00 63.50 61.48 2jwa n PRO 43 Cb 0.50 -1.66 -0.03 0.00 -0.04 0.00 0.00 33.50 32.27 2jwa n PRO 43 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jwa s ALA 44 N -3.02 3.43 -0.26 0.55 0.00 -1.26 -4.95 121.76 116.25 2jwa s ALA 44 Ca 0.72 -2.64 -0.13 0.00 0.00 0.00 0.00 51.96 49.91 2jwa s ALA 44 Cb -0.07 -3.88 0.09 0.00 0.00 0.00 0.00 23.12 19.26 2jwa s ALA 44 CO 0.55 -2.78 0.62 -1.21 0.00 0.00 0.00 175.76 172.94 2jwa s GLU 45 N 2.53 0.60 -0.30 0.00 2.02 -1.26 -5.14 118.70 117.15 2jwa s GLU 45 Ca 0.26 1.20 -0.12 0.00 0.02 0.00 0.00 54.97 56.33 2jwa s GLU 45 Cb -0.10 0.30 0.18 0.00 0.10 0.00 0.00 34.13 34.60 2jwa s GLU 45 CO -0.05 -0.17 1.00 1.14 0.02 0.00 0.00 175.26 177.20 2jwa s GLN 46 N 1.96 0.24 -0.10 1.61 0.00 -1.26 -5.13 119.66 116.99 2jwa s GLN 46 Ca -0.08 0.48 -0.29 0.00 -0.00 0.00 0.00 55.36 55.46 2jwa s GLN 46 Cb -0.08 0.27 -0.05 0.00 0.00 0.00 0.00 33.01 33.16 2jwa s GLN 46 CO -0.18 -0.22 1.68 1.03 0.00 0.00 0.00 175.29 177.60 2jwa s ARG 47 N 2.80 4.05 -0.69 9.60 1.81 -1.26 -4.89 118.95 130.37 2jwa s ARG 47 Ca 0.01 2.08 -0.05 0.00 -1.72 0.00 0.00 55.73 56.04 2jwa s ARG 47 Cb -0.10 -4.02 -0.01 0.00 -0.45 0.00 0.00 34.95 30.37 2jwa s ARG 47 CO -0.14 -1.01 2.89 0.00 -0.68 0.00 0.00 175.30 176.36 2jwa n ALA 48 N 7.65 6.65 -2.34 2.13 0.00 -1.26 -4.93 120.51 128.41 2jwa n ALA 48 Ca 0.18 -3.09 -0.26 0.00 0.00 0.00 0.00 53.44 50.27 2jwa n ALA 48 Cb 0.43 -2.47 -0.00 0.00 0.00 0.00 0.00 19.45 17.42 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 0.91 6.20 0.03 0.00 1.04 -1.26 -5.02 113.70 115.59 2jwa s SER 49 Ca 0.61 0.79 -0.22 0.00 0.48 0.00 0.00 55.95 57.61 2jwa s SER 49 Cb 0.30 -2.13 -0.16 0.00 0.10 0.00 0.00 66.02 64.13 2jwa s SER 49 CO -0.13 -0.56 1.33 1.55 0.98 0.00 0.00 173.24 176.41 2jwa h PRO 50 N 0.31 0.27 -0.27 4.02 0.13 -2.03 -3.06 132.00 131.37 2jwa h PRO 50 Ca -0.47 -0.14 0.08 0.00 -0.87 0.00 0.00 66.00 64.59 2jwa h PRO 50 Cb 1.21 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 2jwa h PRO 50 CO 0.61 0.68 0.29 -0.07 -0.23 0.00 0.00 178.00 179.28 2jwa h LEU 51 N -0.12 0.00 -1.56 1.56 3.38 -1.99 0.58 115.31 117.16 2jwa h LEU 51 Ca 0.02 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 2jwa h LEU 51 Cb 0.63 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 2jwa h LEU 51 CO 0.03 0.00 0.01 0.74 0.09 0.00 0.00 178.44 179.31 2jwa h THR 52 N 0.00 1.12 0.48 0.22 2.02 -1.89 -2.21 112.91 112.65 2jwa h THR 52 Ca 0.13 -0.47 -0.02 0.00 0.77 0.00 0.00 66.41 66.82 2jwa h THR 52 Cb 0.70 0.96 0.00 0.00 -1.74 0.00 0.00 68.15 68.07 2jwa h THR 52 CO -0.00 0.16 -0.23 -1.28 0.37 0.00 0.00 175.52 174.54 2jwa h SER 53 N 0.29 -0.54 -0.75 4.18 0.87 -1.00 0.07 113.55 116.68 2jwa h SER 53 Ca 0.07 -0.07 0.14 0.00 -1.23 0.00 0.00 61.79 60.70 2jwa h SER 53 Cb 0.18 0.14 -0.10 0.00 -0.44 0.00 0.00 62.40 62.18 2jwa h SER 53 CO 0.00 -0.14 0.29 0.40 -0.53 0.00 0.00 176.83 176.85 2jwa h ILE 54 N -1.05 0.65 -0.29 2.23 5.03 -1.58 0.26 117.51 122.75 2jwa h ILE 54 Ca -0.07 -0.15 -0.06 0.00 -0.12 0.00 0.00 64.86 64.47 2jwa h ILE 54 Cb 0.57 0.18 -0.01 0.00 -3.03 0.00 0.00 36.82 34.54 2jwa h ILE 54 CO 0.11 0.08 -0.05 0.40 -0.68 0.00 0.00 178.15 178.01 2jwa h ILE 55 N 0.43 1.27 -0.73 -0.67 2.04 -1.43 -1.89 117.51 116.53 2jwa h ILE 55 Ca 0.41 -1.05 -0.01 0.00 1.00 0.00 0.00 64.86 65.21 2jwa h ILE 55 Cb 0.62 1.36 -0.03 0.00 -0.74 0.00 0.00 36.82 38.03 2jwa h ILE 55 CO -0.41 0.33 0.42 0.77 0.00 0.00 0.00 178.15 179.27 2jwa h SER 56 N 0.32 0.90 -0.19 1.72 4.64 0.16 -2.19 113.55 118.91 2jwa h SER 56 Ca 0.08 -0.08 -0.01 0.00 -0.47 0.00 0.00 61.79 61.30 2jwa h SER 56 Cb 0.51 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.36 2jwa h SER 56 CO 0.02 0.72 0.07 0.00 -0.87 0.00 0.00 176.83 176.77 2jwa h ALA 57 N 1.22 0.25 -0.63 5.18 0.00 -0.47 -2.33 119.26 122.48 2jwa h ALA 57 Ca 0.26 -0.12 0.08 0.00 0.00 0.00 0.00 54.91 55.13 2jwa h ALA 57 Cb 0.01 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 17.66 2jwa h ALA 57 CO -0.05 -0.14 0.28 0.28 0.00 0.00 0.00 179.25 179.62 2jwa h VAL 58 N 0.14 0.84 -0.14 0.00 2.07 -1.12 -0.52 116.25 117.50 2jwa h VAL 58 Ca 0.06 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.41 2jwa h VAL 58 Cb 0.21 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 2jwa h VAL 58 CO -0.00 0.09 0.09 0.58 0.02 0.00 0.00 177.57 178.35 2jwa h VAL 59 N 0.50 1.04 -0.20 2.57 2.07 -1.26 -0.24 116.25 120.73 2jwa h VAL 59 Ca 0.31 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.75 2jwa h VAL 59 Cb 0.33 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 2jwa h VAL 59 CO -0.26 0.04 0.13 1.23 0.02 0.00 0.00 177.57 178.72 2jwa h GLY 60 N 0.19 0.27 1.60 2.17 0.00 -0.85 -0.02 103.07 106.43 2jwa h GLY 60 Ca 0.05 -0.10 -0.03 0.00 0.00 0.00 0.00 47.33 47.25 2jwa h GLY 60 CO -0.01 0.10 0.07 -2.22 0.00 0.00 0.00 176.54 174.47 2jwa h ILE 61 N 0.26 1.17 -0.05 2.60 2.04 -0.98 -2.03 117.51 120.53 2jwa h ILE 61 Ca 0.07 -0.62 -0.02 0.00 1.00 0.00 0.00 64.86 65.29 2jwa h ILE 61 Cb -0.03 0.84 -0.00 0.00 -0.74 0.00 0.00 36.82 36.89 2jwa h ILE 61 CO -0.02 0.22 -0.05 0.25 0.00 0.00 0.00 178.15 178.55 2jwa h LEU 62 N 0.50 0.13 -1.32 1.44 5.85 -0.58 -2.46 115.31 118.87 2jwa h LEU 62 Ca 0.12 -0.49 0.05 0.00 0.84 0.00 0.00 57.88 58.41 2jwa h LEU 62 Cb 0.23 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.17 2jwa h LEU 62 CO -0.00 0.59 0.50 0.25 -0.34 0.00 0.00 178.44 179.43 2jwa h LEU 63 N -0.33 0.74 0.60 2.25 7.12 -0.82 -1.20 115.31 123.67 2jwa h LEU 63 Ca 0.01 -0.00 -0.03 0.00 0.13 0.00 0.00 57.88 57.99 2jwa h LEU 63 Cb 0.55 -0.16 0.01 0.00 -0.53 0.00 0.00 40.66 40.53 2jwa h LEU 63 CO 0.01 0.49 -0.29 0.58 -0.13 0.00 0.00 178.44 179.10 2jwa h VAL 64 N 0.84 0.24 -0.59 1.05 2.07 -1.33 -2.01 116.25 116.52 2jwa h VAL 64 Ca 0.32 -0.34 0.11 0.00 0.82 0.00 0.00 66.70 67.61 2jwa h VAL 64 Cb 0.18 0.33 -0.08 0.00 -1.52 0.00 0.00 31.29 30.20 2jwa h VAL 64 CO -0.10 0.03 0.14 0.58 0.02 0.00 0.00 177.57 178.24 2jwa h VAL 65 N -1.07 0.67 -0.85 2.57 2.07 -1.23 -0.80 116.25 117.61 2jwa h VAL 65 Ca -0.08 -0.10 0.05 0.00 0.82 0.00 0.00 66.70 67.40 2jwa h VAL 65 Cb 0.67 0.37 -0.06 0.00 -1.52 0.00 0.00 31.29 30.75 2jwa h VAL 65 CO 0.14 0.05 0.53 0.58 0.02 0.00 0.00 177.57 178.89 2jwa h VAL 66 N 0.28 1.06 -0.35 2.57 2.07 -1.23 -1.89 116.25 118.77 2jwa h VAL 66 Ca 0.31 -0.34 -0.00 0.00 0.82 0.00 0.00 66.70 67.49 2jwa h VAL 66 Cb 0.44 -0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.19 2jwa h VAL 66 CO -0.38 0.18 0.21 0.25 0.02 0.00 0.00 177.57 177.86 2jwa h LEU 67 N 0.99 0.42 -0.97 2.57 6.46 -0.39 -2.13 115.31 122.25 2jwa h LEU 67 Ca 0.36 -0.05 0.00 0.00 -0.12 0.00 0.00 57.88 58.08 2jwa h LEU 67 Cb 0.13 -0.11 -0.05 0.00 -0.73 0.00 0.00 40.66 39.91 2jwa h LEU 67 CO -0.16 0.35 0.62 1.23 -0.62 0.00 0.00 178.44 179.86 2jwa h GLY 68 N 0.46 1.39 0.91 3.75 0.00 -0.80 0.33 103.07 109.10 2jwa h GLY 68 Ca 0.13 -0.54 -0.00 0.00 0.00 0.00 0.00 47.33 46.91 2jwa h GLY 68 CO -0.02 0.53 0.06 -2.08 0.00 0.00 0.00 176.54 175.03 2jwa h VAL 69 N 1.33 1.12 0.22 4.60 2.07 -1.05 -0.52 116.25 124.01 2jwa h VAL 69 Ca 0.35 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.52 2jwa h VAL 69 Cb -0.11 1.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.77 2jwa h VAL 69 CO -0.07 0.11 -0.10 0.58 0.02 0.00 0.00 177.57 178.10 2jwa h VAL 70 N 0.08 0.86 -0.13 2.57 2.07 -1.16 -2.41 116.25 118.14 2jwa h VAL 70 Ca 0.04 -0.49 0.05 0.00 0.82 0.00 0.00 66.70 67.12 2jwa h VAL 70 Cb 0.11 1.15 -0.06 0.00 -1.52 0.00 0.00 31.29 30.97 2jwa h VAL 70 CO -0.01 0.11 -0.25 0.15 0.02 0.00 0.00 177.57 177.59 2jwa h PHE 71 N -0.55 -0.68 0.10 1.57 3.57 -0.93 0.27 116.94 120.29 2jwa h PHE 71 Ca -0.03 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.52 2jwa h PHE 71 Cb 0.40 0.32 -0.05 0.00 2.79 0.00 0.00 35.95 39.42 2jwa h PHE 71 CO 0.01 -0.34 -0.47 0.78 -2.23 0.00 0.00 178.31 176.06 2jwa h GLY 72 N -0.32 -0.97 0.80 2.40 0.00 -1.11 0.13 103.07 103.99 2jwa h GLY 72 Ca 0.10 0.57 0.06 0.00 0.00 0.00 0.00 47.33 48.06 2jwa h GLY 72 CO -0.31 -0.27 0.64 -2.22 0.00 0.00 0.00 176.54 174.38 2jwa h ILE 73 N -0.69 1.11 0.88 2.60 2.04 -1.19 -0.57 117.51 121.69 2jwa h ILE 73 Ca 0.01 -0.40 -0.04 0.00 1.00 0.00 0.00 64.86 65.43 2jwa h ILE 73 Cb 0.72 -0.17 0.01 0.00 -0.74 0.00 0.00 36.82 36.63 2jwa h ILE 73 CO -0.28 0.21 -0.42 -0.07 0.00 0.00 0.00 178.15 177.60 2jwa h LEU 74 N 1.18 -1.00 -1.88 1.44 3.38 0.27 0.21 115.31 118.90 2jwa h LEU 74 Ca 0.42 0.03 0.12 0.00 0.09 0.00 0.00 57.88 58.54 2jwa h LEU 74 Cb 0.13 0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 2jwa h LEU 74 CO -0.16 -0.71 0.35 0.40 0.09 0.00 0.00 178.44 178.42 2jwa h ILE 75 N -1.20 0.81 0.30 1.22 1.08 -0.62 -0.25 117.51 118.85 2jwa h ILE 75 Ca -0.12 -0.04 -0.01 0.00 -0.39 0.00 0.00 64.86 64.29 2jwa h ILE 75 Cb 0.91 0.66 0.00 0.00 -3.07 0.00 0.00 36.82 35.32 2jwa h ILE 75 CO 0.20 0.02 -0.15 0.11 -0.69 0.00 0.00 178.15 177.65 2jwa h LYS 76 N 0.13 -0.39 -0.76 2.37 1.57 -0.80 -1.40 116.57 117.28 2jwa h LYS 76 Ca 0.24 0.03 0.21 0.00 -1.87 0.00 0.00 60.65 59.26 2jwa h LYS 76 Cb 0.78 0.09 -0.04 0.00 0.08 0.00 0.00 32.23 33.14 2jwa h LYS 76 CO -0.03 -0.26 0.54 0.00 -0.57 0.00 0.00 179.45 179.13 2jwa h ARG 77 N -0.82 0.08 0.23 3.15 3.08 -0.35 -2.02 114.38 117.73 2jwa h ARG 77 Ca -0.04 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 2jwa h ARG 77 Cb 0.31 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.35 2jwa h ARG 77 CO 0.07 0.05 -0.11 0.00 -1.07 0.00 0.00 179.97 178.91 2jwa h ARG 78 N 0.08 -0.30 -5.68 0.04 2.47 -1.08 -3.49 114.38 106.42 2jwa h ARG 78 Ca 0.37 0.02 -0.02 0.00 -1.26 0.00 0.00 59.98 59.09 2jwa h ARG 78 Cb 1.35 0.07 0.00 0.00 -1.65 0.00 0.00 29.97 29.73 2jwa h ARG 78 CO -0.04 0.06 -0.97 1.04 0.56 0.00 0.00 179.97 180.62 2jwa n GLN 79 N -4.99 -2.17 -2.61 0.04 6.02 -0.53 -5.02 117.38 108.12 2jwa n GLN 79 Ca -0.07 1.94 0.01 0.00 -0.01 0.00 0.00 57.00 58.87 2jwa n GLN 79 Cb 0.25 -3.64 0.00 0.00 1.02 0.00 0.00 30.24 27.87 2jwa n GLN 79 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2jwa n GLN 80 N 0.78 0.01 -1.44 -1.09 6.02 -1.26 -5.12 117.38 115.28 2jwa n GLN 80 Ca 0.00 -0.18 -0.23 0.00 -0.01 0.00 0.00 57.00 56.58 2jwa n GLN 80 Cb 0.26 0.33 0.17 0.00 1.02 0.00 0.00 30.24 32.02 2jwa n GLN 80 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2jwa n LYS 81 N -0.31 -1.19 -3.16 -1.09 5.02 -1.26 -5.02 118.16 111.16 2jwa n LYS 81 Ca 0.02 -1.61 -0.30 0.00 -2.02 0.00 0.00 58.31 54.40 2jwa n LYS 81 Cb 0.18 -1.11 -0.05 0.00 -0.02 0.00 0.00 35.03 34.04 2jwa n LYS 81 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 2jwa n ILE 82 N -3.54 3.31 -3.32 -0.18 5.41 -1.26 -4.90 119.36 114.87 2jwa n ILE 82 Ca 0.13 -5.50 -0.11 0.00 1.00 0.00 0.00 62.75 58.27 2jwa n ILE 82 Cb 0.46 -1.85 0.00 0.00 -0.71 0.00 0.00 39.64 37.54 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 0.52 -1.52 -0.43 0.38 0.63 -1.26 -5.35 116.66 109.63 2jwa n ARG 83 Ca 0.31 1.29 0.00 0.00 -0.92 0.00 0.00 57.85 58.53 2jwa n ARG 83 Cb 0.38 -4.34 0.00 0.00 0.45 0.00 0.00 32.46 28.96 2jwa n ARG 83 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75