#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 -3.80 4.21 -0.16 0.00 0.04 -1.26 -5.00 135.00 129.03 2jwa s PRO 43 Ca 0.03 2.01 -0.05 0.00 0.04 0.00 0.00 61.00 63.04 2jwa s PRO 43 Cb 0.01 -3.87 0.08 0.00 0.04 0.00 0.00 34.50 30.76 2jwa s PRO 43 CO -0.11 -0.78 0.28 0.00 0.04 0.00 0.00 177.00 176.44 2jwa s ALA 44 N 3.69 -0.63 -0.22 8.56 0.00 -1.26 -5.04 121.76 126.85 2jwa s ALA 44 Ca 0.67 0.89 -0.19 0.00 0.00 0.00 0.00 51.96 53.33 2jwa s ALA 44 Cb -0.30 -1.17 -0.16 0.00 0.00 0.00 0.00 23.12 21.50 2jwa s ALA 44 CO 0.25 -0.80 0.02 0.39 0.00 0.00 0.00 175.76 175.62 2jwa n GLU 45 N 5.35 0.56 -3.35 0.00 -0.58 -1.26 -4.81 120.64 116.56 2jwa n GLU 45 Ca -0.06 0.49 -0.44 0.00 -0.42 0.00 0.00 57.16 56.72 2jwa n GLU 45 Cb 0.50 -1.67 -0.07 0.00 -0.57 0.00 0.00 31.44 29.62 2jwa n GLU 45 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 2jwa s GLN 46 N -2.41 3.00 -0.18 3.49 -0.21 -1.26 -5.02 119.66 117.08 2jwa s GLN 46 Ca -0.30 -1.27 -0.07 0.00 0.02 0.00 0.00 55.36 53.74 2jwa s GLN 46 Cb 0.08 -4.13 0.08 0.00 1.00 0.00 0.00 33.01 30.04 2jwa s GLN 46 CO 0.53 -1.06 0.38 1.03 -2.12 0.00 0.00 175.29 174.05 2jwa s ARG 47 N 1.81 0.30 -1.22 2.91 1.81 -1.26 -5.08 118.95 118.23 2jwa s ARG 47 Ca 0.06 0.92 -0.20 0.00 -1.72 0.00 0.00 55.73 54.78 2jwa s ARG 47 Cb -0.23 0.18 0.01 0.00 -0.45 0.00 0.00 34.95 34.45 2jwa s ARG 47 CO 0.08 -0.23 1.80 0.00 -0.68 0.00 0.00 175.30 176.26 2jwa s ALA 48 N 2.28 2.65 -0.44 2.13 0.00 -1.26 -4.76 121.76 122.36 2jwa s ALA 48 Ca -0.03 -2.53 0.07 0.00 0.00 0.00 0.00 51.96 49.48 2jwa s ALA 48 Cb -0.11 -4.65 0.25 0.00 0.00 0.00 0.00 23.12 18.61 2jwa s ALA 48 CO -0.12 -4.09 0.56 0.43 0.00 0.00 0.00 175.76 172.54 2jwa n SER 49 N 10.84 0.88 0.12 0.00 7.64 -1.26 -4.94 113.62 126.91 2jwa n SER 49 Ca 0.46 -2.83 -0.01 0.00 1.01 0.00 0.00 58.87 57.49 2jwa n SER 49 Cb 0.47 -0.64 0.23 0.00 -1.01 0.00 0.00 64.21 63.25 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 4.12 0.13 -0.88 1.43 0.13 -2.04 -3.05 132.00 131.83 2jwa h PRO 50 Ca 0.10 -0.07 0.21 0.00 -0.87 0.00 0.00 66.00 65.38 2jwa h PRO 50 Cb 0.84 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.91 2jwa h PRO 50 CO 0.53 0.58 0.59 -0.07 -0.23 0.00 0.00 178.00 179.41 2jwa h LEU 51 N 0.10 0.30 -1.66 1.56 3.38 -2.01 0.12 115.31 117.11 2jwa h LEU 51 Ca 0.00 0.03 0.20 0.00 0.09 0.00 0.00 57.88 58.21 2jwa h LEU 51 Cb 0.88 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.56 2jwa h LEU 51 CO 0.07 0.12 0.57 0.74 0.09 0.00 0.00 178.44 180.03 2jwa h THR 52 N 0.30 0.67 0.59 0.22 2.02 -1.97 -1.52 112.91 113.23 2jwa h THR 52 Ca 0.45 -0.10 -0.03 0.00 0.77 0.00 0.00 66.41 67.50 2jwa h THR 52 Cb 1.27 0.36 0.01 0.00 -1.74 0.00 0.00 68.15 68.04 2jwa h THR 52 CO -0.13 0.05 -0.29 -1.28 0.37 0.00 0.00 175.52 174.24 2jwa h SER 53 N 0.29 -0.68 -0.81 4.18 0.87 -0.97 0.58 113.55 117.01 2jwa h SER 53 Ca 0.43 -0.02 0.15 0.00 -1.23 0.00 0.00 61.79 61.12 2jwa h SER 53 Cb 1.22 0.17 -0.10 0.00 -0.44 0.00 0.00 62.40 63.25 2jwa h SER 53 CO -0.12 -0.30 0.37 0.40 -0.53 0.00 0.00 176.83 176.65 2jwa h ILE 54 N -1.12 0.67 -0.28 2.23 1.08 -1.48 0.27 117.51 118.88 2jwa h ILE 54 Ca -0.08 -0.18 -0.06 0.00 -0.39 0.00 0.00 64.86 64.15 2jwa h ILE 54 Cb 0.66 0.11 -0.01 0.00 -3.07 0.00 0.00 36.82 34.51 2jwa h ILE 54 CO 0.13 0.09 -0.06 0.40 -0.69 0.00 0.00 178.15 178.03 2jwa h ILE 55 N 0.52 1.28 -0.80 -0.67 2.04 -1.30 -1.90 117.51 116.67 2jwa h ILE 55 Ca 0.45 -1.07 -0.02 0.00 1.00 0.00 0.00 64.86 65.21 2jwa h ILE 55 Cb 0.68 1.42 -0.04 0.00 -0.74 0.00 0.00 36.82 38.14 2jwa h ILE 55 CO -0.40 0.34 0.41 0.77 0.00 0.00 0.00 178.15 179.27 2jwa h SER 56 N 0.29 1.03 -0.23 1.72 4.64 0.30 -2.21 113.55 119.08 2jwa h SER 56 Ca 0.07 -0.12 -0.02 0.00 -0.47 0.00 0.00 61.79 61.25 2jwa h SER 56 Cb 0.53 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 62.35 2jwa h SER 56 CO 0.03 0.86 0.07 0.00 -0.87 0.00 0.00 176.83 176.91 2jwa h ALA 57 N 1.21 0.31 -0.40 5.18 0.00 -0.45 -2.37 119.26 122.73 2jwa h ALA 57 Ca 0.28 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 55.09 2jwa h ALA 57 Cb 0.09 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 2jwa h ALA 57 CO -0.04 -0.06 0.13 0.28 0.00 0.00 0.00 179.25 179.56 2jwa h VAL 58 N 0.21 0.86 -0.28 0.00 2.07 -1.13 -0.64 116.25 117.33 2jwa h VAL 58 Ca 0.07 -0.10 0.03 0.00 0.82 0.00 0.00 66.70 67.53 2jwa h VAL 58 Cb 0.25 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 2jwa h VAL 58 CO -0.00 0.05 0.10 0.58 0.02 0.00 0.00 177.57 178.32 2jwa h VAL 59 N 0.28 0.92 -0.08 2.57 2.07 -1.31 0.84 116.25 121.54 2jwa h VAL 59 Ca 0.19 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.63 2jwa h VAL 59 Cb 0.19 0.68 -0.00 0.00 -1.52 0.00 0.00 31.29 30.64 2jwa h VAL 59 CO -0.20 0.04 0.05 1.23 0.02 0.00 0.00 177.57 178.71 2jwa h GLY 60 N 0.22 0.11 1.82 2.17 0.00 -0.96 -0.60 103.07 105.83 2jwa h GLY 60 Ca 0.12 -0.04 -0.04 0.00 0.00 0.00 0.00 47.33 47.37 2jwa h GLY 60 CO -0.13 0.04 -0.09 -2.22 0.00 0.00 0.00 176.54 174.14 2jwa h ILE 61 N 0.10 1.15 -0.11 2.60 2.04 -0.91 -1.87 117.51 120.51 2jwa h ILE 61 Ca 0.03 -0.66 -0.05 0.00 1.00 0.00 0.00 64.86 65.18 2jwa h ILE 61 Cb -0.00 1.15 -0.00 0.00 -0.74 0.00 0.00 36.82 37.22 2jwa h ILE 61 CO -0.01 0.21 -0.11 0.25 0.00 0.00 0.00 178.15 178.49 2jwa h LEU 62 N 0.22 0.29 -1.02 1.44 7.12 -0.38 -2.46 115.31 120.51 2jwa h LEU 62 Ca 0.05 -0.48 -0.02 0.00 0.13 0.00 0.00 57.88 57.55 2jwa h LEU 62 Cb 0.30 -0.08 -0.04 0.00 -0.53 0.00 0.00 40.66 40.32 2jwa h LEU 62 CO 0.02 0.71 0.38 0.25 -0.13 0.00 0.00 178.44 179.67 2jwa h LEU 63 N -0.13 0.96 0.66 2.25 6.46 -0.89 -2.11 115.31 122.52 2jwa h LEU 63 Ca 0.02 -0.10 -0.03 0.00 -0.12 0.00 0.00 57.88 57.65 2jwa h LEU 63 Cb 0.63 -0.25 0.01 0.00 -0.73 0.00 0.00 40.66 40.32 2jwa h LEU 63 CO 0.03 0.80 -0.32 0.58 -0.62 0.00 0.00 178.44 178.91 2jwa h VAL 64 N 1.07 0.30 -0.53 1.05 2.07 -1.32 -2.03 116.25 116.86 2jwa h VAL 64 Ca 0.26 -0.14 0.10 0.00 0.82 0.00 0.00 66.70 67.74 2jwa h VAL 64 Cb 0.08 0.34 -0.08 0.00 -1.52 0.00 0.00 31.29 30.11 2jwa h VAL 64 CO -0.04 0.02 0.03 0.58 0.02 0.00 0.00 177.57 178.18 2jwa h VAL 65 N -0.99 0.61 -0.91 2.57 2.07 -1.35 -0.47 116.25 117.78 2jwa h VAL 65 Ca -0.09 -0.05 0.09 0.00 0.82 0.00 0.00 66.70 67.47 2jwa h VAL 65 Cb 0.71 0.45 -0.07 0.00 -1.52 0.00 0.00 31.29 30.86 2jwa h VAL 65 CO 0.15 0.03 0.56 0.58 0.02 0.00 0.00 177.57 178.90 2jwa h VAL 66 N 0.15 0.95 -0.04 2.57 2.07 -1.32 -1.56 116.25 119.07 2jwa h VAL 66 Ca 0.27 -0.32 -0.00 0.00 0.82 0.00 0.00 66.70 67.47 2jwa h VAL 66 Cb 0.40 -0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.11 2jwa h VAL 66 CO -0.42 0.17 0.01 0.25 0.02 0.00 0.00 177.57 177.61 2jwa h LEU 67 N 0.93 0.05 -0.65 2.57 6.46 -0.36 -2.32 115.31 121.99 2jwa h LEU 67 Ca 0.43 -0.16 0.07 0.00 -0.12 0.00 0.00 57.88 58.09 2jwa h LEU 67 Cb 0.35 -0.01 -0.06 0.00 -0.73 0.00 0.00 40.66 40.21 2jwa h LEU 67 CO -0.23 0.20 0.34 1.23 -0.62 0.00 0.00 178.44 179.36 2jwa h GLY 68 N -0.10 0.95 0.93 3.75 0.00 -0.72 -1.33 103.07 106.55 2jwa h GLY 68 Ca 0.01 -0.23 0.01 0.00 0.00 0.00 0.00 47.33 47.12 2jwa h GLY 68 CO -0.00 0.12 0.06 -2.08 0.00 0.00 0.00 176.54 174.64 2jwa h VAL 69 N 0.63 0.99 0.25 4.60 2.07 -1.20 -1.31 116.25 122.28 2jwa h VAL 69 Ca 0.30 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.77 2jwa h VAL 69 Cb 0.22 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 2jwa h VAL 69 CO -0.20 0.02 -0.23 0.58 0.02 0.00 0.00 177.57 177.76 2jwa h VAL 70 N 0.14 0.51 -0.17 2.57 2.07 -0.99 -1.67 116.25 118.71 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 0.02 0.51 -0.06 0.00 -1.52 0.00 0.00 31.29 30.23 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 -0.70 0.09 1.57 3.57 -1.14 0.27 116.94 120.10 2jwa h PHE 71 Ca -0.01 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.55 2jwa h PHE 71 Cb 0.46 0.33 -0.05 0.00 2.79 0.00 0.00 35.95 39.48 2jwa h PHE 71 CO -0.15 -0.34 -0.46 0.78 -2.23 0.00 0.00 178.31 175.91 2jwa h GLY 72 N -0.31 -0.95 0.79 2.40 0.00 -1.08 0.79 103.07 104.72 2jwa h GLY 72 Ca 0.11 0.56 0.06 0.00 0.00 0.00 0.00 47.33 48.06 2jwa h GLY 72 CO -0.34 -0.27 0.65 -2.22 0.00 0.00 0.00 176.54 174.36 2jwa h ILE 73 N -0.68 1.12 0.46 2.60 1.08 -1.04 0.72 117.51 121.77 2jwa h ILE 73 Ca 0.02 -0.42 -0.02 0.00 -0.39 0.00 0.00 64.86 64.05 2jwa h ILE 73 Cb 0.71 -0.20 -0.00 0.00 -3.07 0.00 0.00 36.82 34.26 2jwa h ILE 73 CO -0.28 0.22 -0.26 -0.07 -0.69 0.00 0.00 178.15 177.07 2jwa h LEU 74 N 1.21 -0.64 0.00 1.44 3.38 0.25 0.41 115.31 121.36 2jwa h LEU 74 Ca 0.42 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.43 2jwa h LEU 74 Cb 0.11 0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.04 2jwa h LEU 74 CO -0.16 -0.42 -0.00 0.40 0.09 0.00 0.00 178.44 178.35 2jwa h ILE 75 N -0.68 1.06 -0.95 1.22 2.04 -0.57 -1.72 117.51 117.91 2jwa h ILE 75 Ca -0.06 -0.18 0.13 0.00 1.00 0.00 0.00 64.86 65.76 2jwa h ILE 75 Cb 0.54 1.18 -0.09 0.00 -0.74 0.00 0.00 36.82 37.71 2jwa h ILE 75 CO 0.07 0.05 0.57 0.11 0.00 0.00 0.00 178.15 178.95 2jwa h LYS 76 N -0.08 0.85 0.12 2.37 1.79 -0.80 0.22 116.57 121.04 2jwa h LYS 76 Ca -0.00 -0.05 -0.01 0.00 -2.18 0.00 0.00 60.65 58.41 2jwa h LYS 76 Cb 0.08 -0.19 0.00 0.00 -1.58 0.00 0.00 32.23 30.54 2jwa h LYS 76 CO 0.00 0.56 -0.06 0.00 -1.08 0.00 0.00 179.45 178.87 2jwa h ARG 77 N 0.87 -0.16 -0.16 3.15 2.47 -0.61 -2.92 114.38 117.03 2jwa h ARG 77 Ca 0.49 0.01 -0.02 0.00 -1.26 0.00 0.00 59.98 59.20 2jwa h ARG 77 Cb 0.56 0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.90 2jwa h ARG 77 CO -0.30 0.08 -0.01 0.00 0.56 0.00 0.00 179.97 180.31 2jwa h ARG 78 N -0.40 0.22 -6.26 0.04 3.08 -0.66 -3.43 114.38 106.97 2jwa h ARG 78 Ca -0.02 -0.03 -0.67 0.00 0.07 0.00 0.00 59.98 59.33 2jwa h ARG 78 Cb 0.32 -0.04 0.03 0.00 0.08 0.00 0.00 29.97 30.36 2jwa h ARG 78 CO 0.03 0.26 0.85 1.04 -1.07 0.00 0.00 179.97 181.08 2jwa n GLN 79 N -4.39 1.59 -1.95 0.04 1.13 0.71 -4.89 117.38 109.61 2jwa n GLN 79 Ca -0.01 0.58 -0.01 0.00 -1.94 0.00 0.00 57.00 55.63 2jwa n GLN 79 Cb 0.17 -2.32 0.00 0.00 0.11 0.00 0.00 30.24 28.21 2jwa n GLN 79 CO 0.00 0.00 0.00 0.94 -1.44 0.00 0.00 177.06 176.56 2jwa n GLN 80 N 4.88 0.14 -0.62 -1.09 7.27 -1.26 -4.99 117.38 121.70 2jwa n GLN 80 Ca 0.22 -0.32 -0.31 0.00 0.07 0.00 0.00 57.00 56.66 2jwa n GLN 80 Cb 0.21 0.44 0.19 0.00 2.41 0.00 0.00 30.24 33.49 2jwa n GLN 80 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 2jwa n LYS 81 N -0.16 -1.29 -3.16 3.69 5.02 -1.26 -4.96 118.16 116.05 2jwa n LYS 81 Ca -0.00 -0.33 -0.30 0.00 -2.02 0.00 0.00 58.31 55.65 2jwa n LYS 81 Cb 0.13 -2.13 -0.05 0.00 -0.02 0.00 0.00 35.03 32.96 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 -4.43 3.32 -3.91 -0.18 5.41 -1.26 -4.94 119.36 113.37 2jwa n ILE 82 Ca 0.07 -5.50 -0.28 0.00 1.00 0.00 0.00 62.75 58.03 2jwa n ILE 82 Cb 0.54 -1.85 -0.12 0.00 -0.71 0.00 0.00 39.64 37.50 2jwa n ILE 82 CO 0.00 0.00 0.00 -0.60 0.00 0.00 0.00 176.55 175.95 2jwa s ARG 83 N -2.97 2.42 0.00 0.38 3.52 -1.26 -5.36 118.95 115.67 2jwa s ARG 83 Ca 0.41 -3.28 0.00 0.00 -0.13 0.00 0.00 55.73 52.73 2jwa s ARG 83 Cb 0.18 -3.41 0.00 0.00 -1.56 0.00 0.00 34.95 30.15 2jwa s ARG 83 CO -0.04 -1.27 0.25 0.36 -0.81 0.00 0.00 175.30 173.80