#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 -3.41 -1.12 0.10 0.00 0.04 -1.26 -5.07 135.00 124.28 2jwa s PRO 43 Ca 0.06 -0.03 0.08 0.00 0.04 0.00 0.00 61.00 61.14 2jwa s PRO 43 Cb -0.01 -1.60 -0.04 0.00 0.04 0.00 0.00 34.50 32.88 2jwa s PRO 43 CO 0.80 -3.65 -0.12 0.00 0.04 0.00 0.00 177.00 174.06 2jwa s ALA 44 N -3.00 2.87 -0.15 8.56 0.00 -1.26 -5.13 121.76 123.64 2jwa s ALA 44 Ca 0.71 -1.27 -0.13 0.00 0.00 0.00 0.00 51.96 51.26 2jwa s ALA 44 Cb -0.10 -0.83 0.04 0.00 0.00 0.00 0.00 23.12 22.23 2jwa s ALA 44 CO 0.56 0.63 0.40 -1.21 0.00 0.00 0.00 175.76 176.14 2jwa s GLU 45 N -2.16 0.46 0.53 0.00 0.41 -1.26 -5.15 118.70 111.53 2jwa s GLU 45 Ca 0.20 0.59 -0.20 0.00 -0.41 0.00 0.00 54.97 55.15 2jwa s GLU 45 Cb -0.11 0.20 -0.06 0.00 -1.78 0.00 0.00 34.13 32.38 2jwa s GLU 45 CO 0.12 -0.07 1.18 -0.65 -0.49 0.00 0.00 175.26 175.35 2jwa s GLN 46 N 0.37 3.35 -1.23 1.61 -0.21 -1.26 -4.92 119.66 117.37 2jwa s GLN 46 Ca -0.01 1.76 -0.19 0.00 0.02 0.00 0.00 55.36 56.94 2jwa s GLN 46 Cb -0.04 -2.11 0.07 0.00 1.00 0.00 0.00 33.01 31.93 2jwa s GLN 46 CO -0.01 -0.89 1.65 1.03 -2.12 0.00 0.00 175.29 174.95 2jwa s ARG 47 N -3.11 3.90 -0.33 2.91 1.81 -1.26 -4.48 118.95 118.39 2jwa s ARG 47 Ca 0.71 -1.82 0.14 0.00 -1.72 0.00 0.00 55.73 53.05 2jwa s ARG 47 Cb -0.28 -5.47 0.42 0.00 -0.45 0.00 0.00 34.95 29.17 2jwa s ARG 47 CO 0.32 -2.22 1.47 0.00 -0.68 0.00 0.00 175.30 174.20 2jwa n ALA 48 N 8.36 2.77 -3.31 2.13 0.00 -1.26 -5.02 120.51 124.18 2jwa n ALA 48 Ca 0.44 -1.27 -0.25 0.00 0.00 0.00 0.00 53.44 52.36 2jwa n ALA 48 Cb 0.47 -0.84 -0.08 0.00 0.00 0.00 0.00 19.45 19.00 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 -1.36 1.06 0.26 0.00 3.41 -1.26 -4.93 113.62 110.80 2jwa n SER 49 Ca -0.14 -2.85 0.14 0.00 -0.26 0.00 0.00 58.87 55.77 2jwa n SER 49 Cb 0.87 -0.64 0.62 0.00 -0.26 0.00 0.00 64.21 64.80 2jwa n SER 49 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 2jwa h PRO 50 N 4.35 0.00 -0.91 4.33 0.13 -1.99 -3.09 132.00 134.83 2jwa h PRO 50 Ca 0.13 0.00 0.17 0.00 -0.87 0.00 0.00 66.00 65.44 2jwa h PRO 50 Cb 0.83 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.88 2jwa h PRO 50 CO 0.55 0.10 0.59 -0.07 -0.23 0.00 0.00 178.00 178.94 2jwa h LEU 51 N 0.00 0.57 -1.49 1.56 3.38 -2.01 0.54 115.31 117.86 2jwa h LEU 51 Ca -0.00 0.05 0.21 0.00 0.09 0.00 0.00 57.88 58.22 2jwa h LEU 51 Cb 0.57 -0.06 -0.07 0.00 0.09 0.00 0.00 40.66 41.19 2jwa h LEU 51 CO 0.01 0.25 0.60 0.74 0.09 0.00 0.00 178.44 180.14 2jwa h THR 52 N 0.59 0.67 0.55 0.22 2.02 -1.98 -1.75 112.91 113.24 2jwa h THR 52 Ca 0.48 -0.14 -0.03 0.00 0.77 0.00 0.00 66.41 67.48 2jwa h THR 52 Cb 0.93 0.22 0.01 0.00 -1.74 0.00 0.00 68.15 67.56 2jwa h THR 52 CO -0.22 0.08 -0.26 -1.28 0.37 0.00 0.00 175.52 174.20 2jwa h SER 53 N 0.42 -0.63 -0.63 4.18 0.87 -1.11 0.13 113.55 116.78 2jwa h SER 53 Ca 0.48 -0.05 0.12 0.00 -1.23 0.00 0.00 61.79 61.11 2jwa h SER 53 Cb 1.18 0.16 -0.09 0.00 -0.44 0.00 0.00 62.40 63.21 2jwa h SER 53 CO -0.19 -0.30 0.14 0.40 -0.53 0.00 0.00 176.83 176.35 2jwa h ILE 54 N -0.96 0.62 -0.39 2.23 2.04 -1.41 0.25 117.51 119.89 2jwa h ILE 54 Ca -0.08 -0.09 -0.06 0.00 1.00 0.00 0.00 64.86 65.63 2jwa h ILE 54 Cb 0.63 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 37.02 2jwa h ILE 54 CO 0.12 0.05 0.01 0.40 0.00 0.00 0.00 178.15 178.74 2jwa h ILE 55 N 0.27 1.26 -0.65 -0.67 1.08 -1.32 -1.72 117.51 115.76 2jwa h ILE 55 Ca 0.34 -0.97 -0.01 0.00 -0.39 0.00 0.00 64.86 63.83 2jwa h ILE 55 Cb 0.51 1.13 -0.03 0.00 -3.07 0.00 0.00 36.82 35.36 2jwa h ILE 55 CO -0.42 0.33 0.38 0.77 -0.69 0.00 0.00 178.15 178.51 2jwa h SER 56 N 0.50 0.79 -0.18 1.72 4.64 0.36 -2.21 113.55 119.17 2jwa h SER 56 Ca 0.11 -0.07 -0.01 0.00 -0.47 0.00 0.00 61.79 61.34 2jwa h SER 56 Cb 0.45 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.33 2jwa h SER 56 CO 0.02 0.64 0.06 0.00 -0.87 0.00 0.00 176.83 176.67 2jwa h ALA 57 N 1.19 0.23 -0.48 5.18 0.00 -0.45 -2.35 119.26 122.58 2jwa h ALA 57 Ca 0.23 -0.12 0.08 0.00 0.00 0.00 0.00 54.91 55.10 2jwa h ALA 57 Cb 0.00 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 17.65 2jwa h ALA 57 CO -0.04 -0.16 0.09 0.28 0.00 0.00 0.00 179.25 179.42 2jwa h VAL 58 N 0.12 0.72 -0.33 0.00 2.07 -1.11 -0.73 116.25 117.00 2jwa h VAL 58 Ca 0.06 -0.08 0.02 0.00 0.82 0.00 0.00 66.70 67.52 2jwa h VAL 58 Cb 0.20 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 2jwa h VAL 58 CO -0.00 0.04 0.19 0.58 0.02 0.00 0.00 177.57 178.40 2jwa h VAL 59 N 0.22 1.02 0.36 2.57 2.07 -1.30 0.38 116.25 121.58 2jwa h VAL 59 Ca 0.24 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.62 2jwa h VAL 59 Cb 0.32 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 2jwa h VAL 59 CO -0.32 0.07 -0.23 1.23 0.02 0.00 0.00 177.57 178.34 2jwa h GLY 60 N 0.39 -0.59 1.99 2.17 0.00 -0.82 -0.21 103.07 106.01 2jwa h GLY 60 Ca 0.13 0.25 -0.02 0.00 0.00 0.00 0.00 47.33 47.70 2jwa h GLY 60 CO -0.07 -0.23 -0.07 -2.22 0.00 0.00 0.00 176.54 173.95 2jwa h ILE 61 N -0.56 1.06 -0.01 2.60 1.08 -1.06 -2.02 117.51 118.59 2jwa h ILE 61 Ca -0.04 -0.27 -0.00 0.00 -0.39 0.00 0.00 64.86 64.16 2jwa h ILE 61 Cb 0.47 1.14 -0.00 0.00 -3.07 0.00 0.00 36.82 35.36 2jwa h ILE 61 CO 0.03 0.08 -0.01 0.25 -0.69 0.00 0.00 178.15 177.81 2jwa h LEU 62 N 0.01 0.03 -1.26 1.44 5.85 -0.43 -2.46 115.31 118.50 2jwa h LEU 62 Ca 0.00 -0.47 0.01 0.00 0.84 0.00 0.00 57.88 58.26 2jwa h LEU 62 Cb 0.14 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.12 2jwa h LEU 62 CO 0.01 0.50 0.51 0.25 -0.34 0.00 0.00 178.44 179.36 2jwa h LEU 63 N -0.44 0.87 0.79 2.25 7.12 -0.74 -1.79 115.31 123.36 2jwa h LEU 63 Ca 0.00 -0.02 -0.04 0.00 0.13 0.00 0.00 57.88 57.95 2jwa h LEU 63 Cb 0.49 -0.22 0.01 0.00 -0.53 0.00 0.00 40.66 40.41 2jwa h LEU 63 CO 0.00 0.63 -0.38 0.58 -0.13 0.00 0.00 178.44 179.14 2jwa h VAL 64 N 1.03 0.13 -0.53 1.05 2.07 -1.35 -1.85 116.25 116.80 2jwa h VAL 64 Ca 0.28 -0.14 0.10 0.00 0.82 0.00 0.00 66.70 67.76 2jwa h VAL 64 Cb -0.11 0.16 -0.08 0.00 -1.52 0.00 0.00 31.29 29.74 2jwa h VAL 64 CO -0.06 0.01 0.06 0.58 0.02 0.00 0.00 177.57 178.17 2jwa h VAL 65 N -1.18 0.63 -0.94 2.57 2.07 -1.31 -0.26 116.25 117.84 2jwa h VAL 65 Ca -0.11 -0.06 0.09 0.00 0.82 0.00 0.00 66.70 67.44 2jwa h VAL 65 Cb 0.82 0.44 -0.07 0.00 -1.52 0.00 0.00 31.29 30.96 2jwa h VAL 65 CO 0.18 0.03 0.60 0.58 0.02 0.00 0.00 177.57 178.98 2jwa h VAL 66 N 0.18 0.99 -0.01 2.57 2.07 -1.29 -1.88 116.25 118.89 2jwa h VAL 66 Ca 0.27 -0.34 -0.00 0.00 0.82 0.00 0.00 66.70 67.46 2jwa h VAL 66 Cb 0.40 -0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 30.10 2jwa h VAL 66 CO -0.40 0.18 0.00 0.25 0.02 0.00 0.00 177.57 177.62 2jwa h LEU 67 N 0.98 0.01 -0.65 2.57 6.46 -0.19 -2.37 115.31 122.12 2jwa h LEU 67 Ca 0.43 -0.19 0.07 0.00 -0.12 0.00 0.00 57.88 58.06 2jwa h LEU 67 Cb 0.35 -0.00 -0.06 0.00 -0.73 0.00 0.00 40.66 40.22 2jwa h LEU 67 CO -0.19 0.20 0.34 1.23 -0.62 0.00 0.00 178.44 179.41 2jwa h GLY 68 N -0.18 0.95 0.93 3.75 0.00 -0.79 -1.37 103.07 106.38 2jwa h GLY 68 Ca 0.00 -0.23 0.01 0.00 0.00 0.00 0.00 47.33 47.11 2jwa h GLY 68 CO -0.00 0.11 0.09 -2.08 0.00 0.00 0.00 176.54 174.66 2jwa h VAL 69 N 0.62 1.00 0.25 4.60 2.07 -1.27 -1.43 116.25 122.08 2jwa h VAL 69 Ca 0.30 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.76 2jwa h VAL 69 Cb 0.24 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 2jwa h VAL 69 CO -0.21 0.03 -0.22 0.58 0.02 0.00 0.00 177.57 177.78 2jwa h VAL 70 N 0.18 0.53 -0.20 2.57 2.07 -0.99 -1.77 116.25 118.64 2jwa h VAL 70 Ca 0.07 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.64 2jwa h VAL 70 Cb 0.01 0.53 -0.07 0.00 -1.52 0.00 0.00 31.29 30.24 2jwa h VAL 70 CO -0.04 0.00 -0.24 0.15 0.02 0.00 0.00 177.57 177.45 2jwa h PHE 71 N -0.49 -0.65 0.07 1.57 3.57 -1.15 0.27 116.94 120.13 2jwa h PHE 71 Ca -0.01 0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.55 2jwa h PHE 71 Cb 0.44 0.32 -0.05 0.00 2.79 0.00 0.00 35.95 39.45 2jwa h PHE 71 CO -0.14 -0.32 -0.44 0.78 -2.23 0.00 0.00 178.31 175.95 2jwa h GLY 72 N -0.27 -0.88 0.83 2.40 0.00 -1.10 0.07 103.07 104.12 2jwa h GLY 72 Ca 0.12 0.53 0.05 0.00 0.00 0.00 0.00 47.33 48.03 2jwa h GLY 72 CO -0.36 -0.26 0.64 -2.22 0.00 0.00 0.00 176.54 174.34 2jwa h ILE 73 N -0.64 1.14 0.78 2.60 1.08 -1.02 -1.29 117.51 120.16 2jwa h ILE 73 Ca 0.03 -0.42 -0.03 0.00 -0.39 0.00 0.00 64.86 64.05 2jwa h ILE 73 Cb 0.69 -0.18 -0.00 0.00 -3.07 0.00 0.00 36.82 34.26 2jwa h ILE 73 CO -0.28 0.22 -0.50 -0.07 -0.69 0.00 0.00 178.15 176.83 2jwa h LEU 74 N 1.21 -1.27 -1.84 1.44 3.38 0.24 0.18 115.31 118.65 2jwa h LEU 74 Ca 0.40 0.07 0.10 0.00 0.09 0.00 0.00 57.88 58.55 2jwa h LEU 74 Cb 0.05 0.37 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 2jwa h LEU 74 CO -0.14 -0.76 0.33 0.40 0.09 0.00 0.00 178.44 178.36 2jwa h ILE 75 N -1.20 0.85 0.45 1.22 1.08 -0.84 -0.70 117.51 118.37 2jwa h ILE 75 Ca -0.10 -0.06 -0.02 0.00 -0.39 0.00 0.00 64.86 64.28 2jwa h ILE 75 Cb 0.97 0.65 0.00 0.00 -3.07 0.00 0.00 36.82 35.38 2jwa h ILE 75 CO 0.09 0.03 -0.22 0.11 -0.69 0.00 0.00 178.15 177.48 2jwa h LYS 76 N 0.19 -0.59 -0.71 2.37 1.57 -0.71 -2.95 116.57 115.74 2jwa h LYS 76 Ca 0.22 0.04 0.13 0.00 -1.87 0.00 0.00 60.65 59.17 2jwa h LYS 76 Cb 0.63 0.13 -0.05 0.00 0.08 0.00 0.00 32.23 33.03 2jwa h LYS 76 CO -0.04 -0.32 0.47 0.00 -0.57 0.00 0.00 179.45 179.00 2jwa h ARG 77 N -1.09 0.44 -0.83 3.15 2.47 -0.33 -0.81 114.38 117.38 2jwa h ARG 77 Ca -0.06 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.63 2jwa h ARG 77 Cb 0.54 -0.10 -0.04 0.00 -1.65 0.00 0.00 29.97 28.72 2jwa h ARG 77 CO 0.10 0.29 0.52 0.00 0.56 0.00 0.00 179.97 181.44 2jwa h ARG 78 N 0.45 1.12 -5.67 0.04 3.08 -1.14 -3.48 114.38 108.79 2jwa h ARG 78 Ca 0.34 -0.09 -0.02 0.00 0.07 0.00 0.00 59.98 60.28 2jwa h ARG 78 Cb 0.71 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 30.52 2jwa h ARG 78 CO -0.11 0.77 -0.98 1.04 -1.07 0.00 0.00 179.97 179.63 2jwa n GLN 79 N -4.46 -2.19 -3.67 0.04 1.13 -0.31 -5.04 117.38 102.87 2jwa n GLN 79 Ca 0.09 1.96 -0.09 0.00 -1.94 0.00 0.00 57.00 57.01 2jwa n GLN 79 Cb 0.04 -3.65 -0.10 0.00 0.11 0.00 0.00 30.24 26.64 2jwa n GLN 79 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 2jwa s GLN 80 N -1.51 0.41 -0.25 -1.09 0.74 -1.26 -5.04 119.66 111.66 2jwa s GLN 80 Ca 0.04 0.95 0.15 0.00 0.05 0.00 0.00 55.36 56.54 2jwa s GLN 80 Cb -0.01 0.15 0.47 0.00 1.10 0.00 0.00 33.01 34.73 2jwa s GLN 80 CO 0.50 -0.19 1.16 1.63 -0.55 0.00 0.00 175.29 177.85 2jwa n LYS 81 N 4.69 2.44 -3.13 1.67 4.76 -1.26 -4.91 118.16 122.43 2jwa n LYS 81 Ca -0.18 -3.68 -0.31 0.00 -2.87 0.00 0.00 58.31 51.27 2jwa n LYS 81 Cb 0.53 -1.79 -0.04 0.00 -1.84 0.00 0.00 35.03 31.89 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 -0.61 3.47 -3.15 -0.18 5.41 -1.26 -4.91 119.36 118.12 2jwa n ILE 82 Ca 0.25 -5.53 0.06 0.00 1.00 0.00 0.00 62.75 58.52 2jwa n ILE 82 Cb 0.89 -1.83 -0.01 0.00 -0.71 0.00 0.00 39.64 37.99 2jwa n ILE 82 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 2jwa s ARG 83 N -3.03 0.04 0.00 0.38 1.81 -1.26 -5.32 118.95 111.56 2jwa s ARG 83 Ca 0.41 0.04 0.00 0.00 -1.72 0.00 0.00 55.73 54.46 2jwa s ARG 83 Cb 0.18 0.02 0.00 0.00 -0.45 0.00 0.00 34.95 34.70 2jwa s ARG 83 CO -0.04 -0.06 0.31 1.63 -0.68 0.00 0.00 175.30 176.46