#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jvm n HIS 25 N 0.00 0.01 0.57 -1.77 -0.00 -1.26 -3.79 115.22 108.98 1jvm n HIS 25 Ca 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 57.72 57.85 1jvm n HIS 25 Cb 0.00 -0.05 0.33 0.00 -0.00 0.00 0.00 29.99 30.27 1jvm n HIS 25 CO 0.00 0.00 0.00 -1.49 -0.00 0.00 0.00 176.34 174.85 1jvm h TRP 26 N 0.00 0.00 0.00 -1.40 4.06 -2.00 -2.30 115.95 114.31 1jvm h TRP 26 Ca 0.00 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.92 1jvm h TRP 26 Cb 0.53 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.69 1jvm h TRP 26 CO 0.00 0.00 -0.13 0.00 -3.56 0.00 0.00 178.44 174.75 1jvm h ARG 27 N 0.00 0.00 0.13 0.49 3.08 -2.02 -1.78 114.38 114.29 1jvm h ARG 27 Ca 0.00 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 59.76 1jvm h ARG 27 Cb 0.77 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.84 1jvm h ARG 27 CO 0.00 0.13 -1.25 0.00 -1.07 0.00 0.00 179.97 177.78 1jvm h ALA 28 N 1.87 0.04 0.14 0.04 0.00 -1.62 -3.18 119.26 116.56 1jvm h ALA 28 Ca -0.00 -0.81 -0.00 0.00 0.00 0.00 0.00 54.91 54.10 1jvm h ALA 28 Cb 0.52 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1jvm h ALA 28 CO 0.02 0.78 -0.15 0.00 0.00 0.00 0.00 179.25 179.89 1jvm h ALA 29 N 0.40 -0.86 -1.15 0.00 0.00 -1.28 -1.95 119.26 114.42 1jvm h ALA 29 Ca -0.17 -0.06 0.35 0.00 0.00 0.00 0.00 54.91 55.03 1jvm h ALA 29 Cb 1.93 0.41 -0.12 0.00 0.00 0.00 0.00 17.79 20.02 1jvm h ALA 29 CO 0.23 -0.87 0.72 0.78 0.00 0.00 0.00 179.25 180.11 1jvm h GLY 30 N -0.30 1.45 0.22 0.00 0.00 -1.62 0.21 103.07 103.02 1jvm h GLY 30 Ca -0.02 -0.17 -0.00 0.00 0.00 0.00 0.00 47.33 47.14 1jvm h GLY 30 CO -0.03 -0.33 -0.31 0.00 0.00 0.00 0.00 176.54 175.87 1jvm h ALA 31 N 1.66 -0.93 -0.49 3.60 0.00 -1.35 -1.39 119.26 120.36 1jvm h ALA 31 Ca 0.72 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.59 1jvm h ALA 31 Cb 2.01 0.61 -0.08 0.00 0.00 0.00 0.00 17.79 20.33 1jvm h ALA 31 CO -0.42 -0.97 -0.49 0.00 0.00 0.00 0.00 179.25 177.37 1jvm h ALA 32 N -1.14 -0.65 -0.70 0.00 0.00 -0.33 -0.21 119.26 116.24 1jvm h ALA 32 Ca -0.03 0.03 0.07 0.00 0.00 0.00 0.00 54.91 54.98 1jvm h ALA 32 Cb 0.50 1.14 -0.09 0.00 0.00 0.00 0.00 17.79 19.34 1jvm h ALA 32 CO -0.09 -0.92 -0.39 2.41 0.00 0.00 0.00 179.25 180.26 1jvm n THR 33 N -4.99 -0.46 0.03 0.00 -1.04 -0.82 -0.08 114.28 106.92 1jvm n THR 33 Ca -0.02 1.68 -0.02 0.00 -2.04 0.00 0.00 64.05 63.65 1jvm n THR 33 Cb 0.28 -2.10 -0.01 0.00 -1.82 0.00 0.00 70.33 66.68 1jvm n THR 33 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 1jvm h VAL 34 N 0.00 0.00 -0.79 12.58 2.07 0.03 -2.28 116.25 127.86 1jvm h VAL 34 Ca 0.13 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.74 1jvm h VAL 34 Cb 0.31 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 29.97 1jvm h VAL 34 CO -0.66 0.00 -0.41 0.18 0.02 0.00 0.00 177.57 176.70 1jvm n LEU 35 N -2.55 -0.72 -0.08 2.57 4.77 -0.08 -0.06 117.00 120.84 1jvm n LEU 35 Ca -0.01 1.40 -0.08 0.00 -0.03 0.00 0.00 56.01 57.29 1jvm n LEU 35 Cb 0.04 -0.23 -0.02 0.00 -2.33 0.00 0.00 43.42 40.89 1jvm n LEU 35 CO 0.03 -1.18 0.66 0.25 -1.33 0.00 0.00 177.39 175.81 1jvm h LEU 36 N 0.00 -0.97 -1.19 2.23 5.85 -0.46 0.62 115.31 121.40 1jvm h LEU 36 Ca 0.18 0.17 0.13 0.00 0.84 0.00 0.00 57.88 59.20 1jvm h LEU 36 Cb 0.38 0.45 -0.07 0.00 0.37 0.00 0.00 40.66 41.79 1jvm h LEU 36 CO -0.76 -0.31 0.59 0.58 -0.34 0.00 0.00 178.44 178.20 1jvm h VAL 37 N -0.27 0.88 0.32 1.05 2.07 0.14 0.43 116.25 120.87 1jvm h VAL 37 Ca 0.15 -0.28 -0.02 0.00 0.82 0.00 0.00 66.70 67.38 1jvm h VAL 37 Cb 0.52 -0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.29 1jvm h VAL 37 CO -0.47 0.15 -0.16 0.40 0.02 0.00 0.00 177.57 177.52 1jvm h ILE 38 N 0.81 0.66 -0.95 4.57 2.04 0.83 -1.89 117.51 123.59 1jvm h ILE 38 Ca 0.46 -0.56 0.23 0.00 1.00 0.00 0.00 64.86 65.98 1jvm h ILE 38 Cb 0.60 0.94 -0.07 0.00 -0.74 0.00 0.00 36.82 37.55 1jvm h ILE 38 CO -0.22 0.11 0.63 0.58 0.00 0.00 0.00 178.15 179.25 1jvm h VAL 39 N -0.76 0.62 0.39 1.67 2.07 0.16 2.26 116.25 122.65 1jvm h VAL 39 Ca -0.04 -0.13 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 1jvm h VAL 39 Cb 0.51 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.50 1jvm h VAL 39 CO 0.07 0.07 -0.19 -0.07 0.02 0.00 0.00 177.57 177.47 1jvm h LEU 40 N 0.37 -0.44 -0.60 2.57 3.38 -0.02 2.27 115.31 122.84 1jvm h LEU 40 Ca 0.50 0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.59 1jvm h LEU 40 Cb 1.33 0.11 -0.08 0.00 0.09 0.00 0.00 40.66 42.12 1jvm h LEU 40 CO -0.19 -0.24 0.19 -0.07 0.09 0.00 0.00 178.44 178.21 1jvm h LEU 41 N -0.66 0.14 0.20 1.67 3.38 -0.49 3.33 115.31 122.87 1jvm h LEU 41 Ca -0.05 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1jvm h LEU 41 Cb 0.40 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 1jvm h LEU 41 CO 0.09 0.08 -0.20 0.00 0.09 0.00 0.00 178.44 178.50 1jvm h ALA 42 N 1.44 -0.91 -0.71 1.53 0.00 0.38 0.15 119.26 121.14 1jvm h ALA 42 Ca 0.31 -0.07 0.10 0.00 0.00 0.00 0.00 54.91 55.24 1jvm h ALA 42 Cb 0.41 0.44 -0.07 0.00 0.00 0.00 0.00 17.79 18.57 1jvm h ALA 42 CO -0.34 -0.92 0.34 0.78 0.00 0.00 0.00 179.25 179.11 1jvm h GLY 43 N -0.39 1.06 0.00 0.00 0.00 0.47 0.58 103.07 104.79 1jvm h GLY 43 Ca -0.02 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.10 1jvm h GLY 43 CO -0.02 0.04 0.00 1.44 0.00 0.00 0.00 176.54 177.99 1jvm n SER 44 N -4.89 0.00 -0.24 0.19 7.64 1.10 0.11 113.62 117.53 1jvm n SER 44 Ca 0.11 0.84 0.13 0.00 1.01 0.00 0.00 58.87 60.96 1jvm n SER 44 Cb 0.29 -0.34 0.41 0.00 -1.01 0.00 0.00 64.21 63.57 1jvm n SER 44 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 1jvm h TYR 45 N 0.00 0.73 0.46 1.43 3.20 -0.60 -2.18 116.97 120.00 1jvm h TYR 45 Ca 0.00 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.87 1jvm h TYR 45 Cb 0.00 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.05 1jvm h TYR 45 CO -0.17 0.27 -0.22 1.25 -1.64 0.00 0.00 178.16 177.65 1jvm h LEU 46 N 0.62 -0.52 -1.42 2.82 5.85 0.54 -3.30 115.31 119.90 1jvm h LEU 46 Ca 0.43 -0.09 -0.02 0.00 0.84 0.00 0.00 57.88 59.05 1jvm h LEU 46 Cb 0.76 0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.90 1jvm h LEU 46 CO -0.18 -0.19 0.20 0.00 -0.34 0.00 0.00 178.44 177.93 1jvm h ALA 47 N -0.50 1.55 -0.14 1.25 0.00 0.11 -2.96 119.26 118.57 1jvm h ALA 47 Ca -0.06 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 54.80 1jvm h ALA 47 Cb 0.57 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.13 1jvm h ALA 47 CO 0.10 0.36 -0.22 0.28 0.00 0.00 0.00 179.25 179.77 1jvm h VAL 48 N 0.60 0.45 0.00 0.00 2.07 -1.48 -1.14 116.25 116.75 1jvm h VAL 48 Ca 0.15 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.66 1jvm h VAL 48 Cb 0.07 0.45 -0.00 0.00 -1.52 0.00 0.00 31.29 30.29 1jvm h VAL 48 CO -0.02 0.00 -0.03 -0.07 0.02 0.00 0.00 177.57 177.47 1jvm h LEU 49 N -0.28 0.00 0.00 2.57 3.38 -1.62 0.43 115.31 119.79 1jvm h LEU 49 Ca 0.10 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 1jvm h LEU 49 Cb 0.43 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1jvm h LEU 49 CO -0.30 0.03 -0.48 0.00 0.09 0.00 0.00 178.44 177.78 1jvm h ALA 50 N 1.97 0.77 0.00 1.53 0.00 -1.10 -3.40 119.26 119.03 1jvm h ALA 50 Ca -0.00 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1jvm h ALA 50 Cb 0.48 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1jvm h ALA 50 CO 0.00 0.36 -0.63 0.39 0.00 0.00 0.00 179.25 179.38 1jvm n GLU 51 N -3.08 0.33 -0.47 0.00 -0.58 -0.54 -4.60 120.64 111.69 1jvm n GLU 51 Ca 0.01 0.13 -0.18 0.00 -0.42 0.00 0.00 57.16 56.70 1jvm n GLU 51 Cb 0.65 -1.06 -0.03 0.00 -0.57 0.00 0.00 31.44 30.43 1jvm n GLU 51 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 1jvm n ARG 52 N -3.88 0.00 -0.61 3.49 0.63 0.15 -1.52 116.66 114.91 1jvm n ARG 52 Ca -0.09 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.84 1jvm n ARG 52 Cb 0.33 -0.45 0.00 0.00 0.45 0.00 0.00 32.46 32.79 1jvm n ARG 52 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1jvm n GLY 53 N 0.67 0.80 3.98 5.14 0.00 -1.26 -4.94 105.19 109.59 1jvm n GLY 53 Ca 0.07 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.90 1jvm n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jvm s ALA 54 N -3.15 4.49 0.34 4.61 0.00 -0.58 -5.07 121.76 122.40 1jvm s ALA 54 Ca 0.00 -1.82 -0.27 0.00 0.00 0.00 0.00 51.96 49.87 1jvm s ALA 54 Cb 0.00 -1.40 -0.09 0.00 0.00 0.00 0.00 23.12 21.63 1jvm s ALA 54 CO 0.00 -0.44 1.14 -2.14 0.00 0.00 0.00 175.76 174.32 1jvm s PRO 55 N -4.39 4.35 -1.53 0.00 0.02 -1.26 -2.99 135.00 129.20 1jvm s PRO 55 Ca 0.54 1.83 0.00 0.00 0.02 0.00 0.00 61.00 63.39 1jvm s PRO 55 Cb -0.07 -2.92 0.00 0.00 0.02 0.00 0.00 34.50 31.53 1jvm s PRO 55 CO 0.33 -0.06 0.00 0.41 -0.33 0.00 0.00 177.00 177.35 1jvm n GLY 56 N 0.85 1.40 3.73 0.52 0.00 -1.26 -4.89 105.19 105.54 1jvm n GLY 56 Ca 0.02 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 1jvm n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jvm s ALA 57 N -2.29 3.81 -0.03 4.61 0.00 -1.16 -4.84 121.76 121.87 1jvm s ALA 57 Ca 0.00 1.51 0.01 0.00 0.00 0.00 0.00 51.96 53.47 1jvm s ALA 57 Cb 0.00 -3.65 -0.02 0.00 0.00 0.00 0.00 23.12 19.45 1jvm s ALA 57 CO 0.00 -0.89 -0.02 1.04 0.00 0.00 0.00 175.76 175.90 1jvm n GLN 58 N 3.23 1.12 -1.44 0.00 1.13 -1.26 -4.72 117.38 115.44 1jvm n GLN 58 Ca 0.12 0.01 -0.39 0.00 -1.94 0.00 0.00 57.00 54.80 1jvm n GLN 58 Cb 0.37 -1.06 -0.02 0.00 0.11 0.00 0.00 30.24 29.64 1jvm n GLN 58 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1jvm n LEU 59 N -2.44 8.47 -0.03 1.08 4.77 -1.26 -4.58 117.00 123.00 1jvm n LEU 59 Ca -0.05 -4.40 -0.00 0.00 -0.03 0.00 0.00 56.01 51.53 1jvm n LEU 59 Cb 0.56 -1.55 -0.00 0.00 -2.33 0.00 0.00 43.42 40.10 1jvm n LEU 59 CO 0.03 1.96 0.00 0.40 -1.33 0.00 0.00 177.39 178.46 1jvm h ILE 60 N 3.08 0.00 -3.87 -0.08 2.04 -1.88 -3.27 117.51 113.52 1jvm h ILE 60 Ca 0.82 -0.72 -0.49 0.00 1.00 0.00 0.00 64.86 65.47 1jvm h ILE 60 Cb 0.33 0.00 0.02 0.00 -0.74 0.00 0.00 36.82 36.43 1jvm h ILE 60 CO 1.77 0.00 0.21 0.42 0.00 0.00 0.00 178.15 180.55 1jvm s THR 61 N -1.43 4.74 0.21 -0.27 -4.23 -1.26 -4.71 115.64 108.69 1jvm s THR 61 Ca -0.00 0.72 -0.07 0.00 -1.18 0.00 0.00 61.69 61.16 1jvm s THR 61 Cb 0.00 -3.77 0.09 0.00 1.34 0.00 0.00 72.50 70.16 1jvm s THR 61 CO 0.00 -0.69 1.69 0.10 -0.54 0.00 0.00 174.62 175.18 1jvm h TYR 62 N 0.82 1.09 -0.52 3.99 -0.00 -1.95 -2.71 116.97 117.69 1jvm h TYR 62 Ca -0.47 -0.17 0.00 0.00 -0.00 0.00 0.00 58.73 58.10 1jvm h TYR 62 Cb 1.19 -0.29 -0.03 0.00 -0.00 0.00 0.00 36.73 37.60 1jvm h TYR 62 CO 0.62 0.95 0.33 -1.35 -0.00 0.00 0.00 178.16 178.71 1jvm h PRO 63 N 0.94 0.69 0.63 0.10 0.11 -1.98 0.29 132.00 132.77 1jvm h PRO 63 Ca 0.18 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.21 1jvm h PRO 63 Cb 0.49 -0.15 0.01 0.00 0.11 0.00 0.00 31.00 31.46 1jvm h PRO 63 CO 0.02 0.47 -0.30 0.00 -0.21 0.00 0.00 178.00 177.98 1jvm h ARG 64 N 0.71 -0.81 -0.90 1.05 3.08 -1.93 -2.96 114.38 112.61 1jvm h ARG 64 Ca 0.19 0.06 0.23 0.00 0.07 0.00 0.00 59.98 60.53 1jvm h ARG 64 Cb -0.06 0.18 -0.13 0.00 0.08 0.00 0.00 29.97 30.05 1jvm h ARG 64 CO -0.04 -0.51 0.39 0.00 -1.07 0.00 0.00 179.97 178.73 1jvm h ALA 65 N -1.09 1.46 0.02 0.04 0.00 -1.16 0.71 119.26 119.24 1jvm h ALA 65 Ca -0.09 0.17 0.03 0.00 0.00 0.00 0.00 54.91 55.02 1jvm h ALA 65 Cb 0.67 0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.58 1jvm h ALA 65 CO 0.14 -0.38 -0.42 1.25 0.00 0.00 0.00 179.25 179.84 1jvm h LEU 66 N 0.37 -1.26 0.01 0.00 5.85 -0.95 -0.44 115.31 118.89 1jvm h LEU 66 Ca 0.57 0.15 0.02 0.00 0.84 0.00 0.00 57.88 59.47 1jvm h LEU 66 Cb 1.12 0.49 -0.06 0.00 0.37 0.00 0.00 40.66 42.59 1jvm h LEU 66 CO -0.55 -0.46 -0.51 -0.25 -0.34 0.00 0.00 178.44 176.32 1jvm h TRP 67 N -0.59 -1.50 -0.98 1.25 -0.00 -0.75 -2.20 115.95 111.18 1jvm h TRP 67 Ca 0.04 0.05 0.17 0.00 -0.00 0.00 0.00 58.89 59.14 1jvm h TRP 67 Cb 0.66 0.65 -0.17 0.00 -0.00 0.00 0.00 29.16 30.30 1jvm h TRP 67 CO -0.41 -0.56 -0.34 2.35 -0.00 0.00 0.00 178.44 179.47 1jvm h TRP 68 N -0.67 -0.90 -0.74 2.65 7.01 -0.69 0.24 115.95 122.84 1jvm h TRP 68 Ca 0.02 0.10 0.15 0.00 2.11 0.00 0.00 58.89 61.27 1jvm h TRP 68 Cb 0.72 0.54 -0.10 0.00 -2.10 0.00 0.00 29.16 28.22 1jvm h TRP 68 CO -0.49 -0.41 0.24 0.77 -2.79 0.00 0.00 178.44 175.75 1jvm h SER 69 N -0.01 0.14 0.79 2.65 0.02 -0.45 0.67 113.55 117.35 1jvm h SER 69 Ca 0.38 0.13 -0.04 0.00 -0.84 0.00 0.00 61.79 61.43 1jvm h SER 69 Cb 0.63 0.15 0.01 0.00 0.14 0.00 0.00 62.40 63.33 1jvm h SER 69 CO -0.99 0.02 -0.39 0.58 -1.14 0.00 0.00 176.83 174.92 1jvm h VAL 70 N 0.35 0.20 -0.18 2.27 2.07 -0.41 0.40 116.25 120.95 1jvm h VAL 70 Ca 0.42 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.99 1jvm h VAL 70 Cb 0.68 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 1jvm h VAL 70 CO -0.46 0.00 0.28 -0.08 0.02 0.00 0.00 177.57 177.33 1jvm h GLU 71 N -1.07 0.00 0.03 1.57 4.81 0.20 -2.01 114.58 118.10 1jvm h GLU 71 Ca -0.11 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 58.81 1jvm h GLU 71 Cb 0.83 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.17 1jvm h GLU 71 CO 0.17 0.00 -1.74 2.41 -0.73 0.00 0.00 179.01 179.12 1jvm n THR 72 N -3.48 1.58 0.32 0.32 -1.04 0.22 -1.74 114.28 110.46 1jvm n THR 72 Ca 0.02 -0.26 0.15 0.00 -2.04 0.00 0.00 64.05 61.92 1jvm n THR 72 Cb 0.39 -1.91 0.66 0.00 -1.82 0.00 0.00 70.33 67.65 1jvm n THR 72 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1jvm h ALA 73 N -0.45 1.00 -0.01 2.41 0.00 0.12 -0.25 119.26 122.08 1jvm h ALA 73 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1jvm h ALA 73 Cb 1.55 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.34 1jvm h ALA 73 CO -0.19 0.00 -0.66 0.25 0.00 0.00 0.00 179.25 178.66 1jvm n THR 74 N -2.63 0.00 -1.46 0.00 -2.24 -0.79 -3.91 114.28 103.25 1jvm n THR 74 Ca 0.00 -0.17 -0.16 0.00 -2.27 0.00 0.00 64.05 61.45 1jvm n THR 74 Cb 0.21 1.16 -0.07 0.00 -2.10 0.00 0.00 70.33 69.52 1jvm n THR 74 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1jvm n THR 75 N -0.58 0.00 0.24 4.28 -2.24 -0.11 -4.81 114.28 111.07 1jvm n THR 75 Ca 0.07 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.92 1jvm n THR 75 Cb 0.41 -1.62 0.57 0.00 -2.10 0.00 0.00 70.33 67.59 1jvm n THR 75 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1jvm h VAL 76 N 0.00 1.01 -6.87 2.28 2.07 -1.73 -3.46 116.25 109.55 1jvm h VAL 76 Ca -0.33 -0.48 -0.58 0.00 0.82 0.00 0.00 66.70 66.13 1jvm h VAL 76 Cb 1.13 1.27 -0.33 0.00 -1.52 0.00 0.00 31.29 31.84 1jvm h VAL 76 CO 0.49 0.13 -0.84 0.61 0.02 0.00 0.00 177.57 177.98 1jvm n GLY 77 N -1.08 -0.32 0.63 2.17 0.00 -0.71 -4.76 105.19 101.13 1jvm n GLY 77 Ca -0.02 0.08 0.42 0.00 0.00 0.00 0.00 46.02 46.50 1jvm n GLY 77 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1jvm h TYR 78 N -0.95 0.00 -0.70 1.61 0.99 -1.90 -3.44 116.97 112.59 1jvm h TYR 78 Ca -0.56 0.00 -0.11 0.00 2.00 0.00 0.00 58.73 60.06 1jvm h TYR 78 Cb 1.28 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 38.99 1jvm h TYR 78 CO 0.62 0.00 -0.14 0.41 -0.00 0.00 0.00 178.16 179.05 1jvm n GLY 79 N -1.83 0.25 0.01 3.88 0.00 -1.26 -4.91 105.19 101.33 1jvm n GLY 79 Ca 0.35 -0.68 0.12 0.00 0.00 0.00 0.00 46.02 45.80 1jvm n GLY 79 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1jvm n ASP 80 N 0.97 0.57 -3.73 1.61 5.75 -1.26 -4.84 116.55 115.61 1jvm n ASP 80 Ca -0.06 -0.23 -0.12 0.00 -0.01 0.00 0.00 54.79 54.36 1jvm n ASP 80 Cb 0.49 0.33 -0.11 0.00 -1.03 0.00 0.00 41.12 40.81 1jvm n ASP 80 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1jvm s LEU 81 N -3.27 0.35 0.13 -2.12 1.43 -1.26 -5.06 118.68 108.88 1jvm s LEU 81 Ca 0.09 0.79 -0.25 0.00 -1.03 0.00 0.00 54.13 53.73 1jvm s LEU 81 Cb 0.17 1.28 0.07 0.00 0.03 0.00 0.00 46.19 47.73 1jvm s LEU 81 CO 0.72 -0.15 0.88 -0.72 0.23 0.00 0.00 176.35 177.31 1jvm s TYR 82 N 0.63 -0.22 0.44 0.29 -0.85 -1.26 -4.98 117.35 111.39 1jvm s TYR 82 Ca -0.03 -0.05 -0.17 0.00 -0.52 0.00 0.00 57.07 56.30 1jvm s TYR 82 Cb -0.05 0.62 -0.09 0.00 0.38 0.00 0.00 41.96 42.82 1jvm s TYR 82 CO -0.04 -0.81 0.90 -1.25 -1.52 0.00 0.00 175.55 172.83 1jvm s PRO 83 N -3.36 4.01 0.00 -3.49 0.04 -1.26 -4.55 135.00 126.40 1jvm s PRO 83 Ca 0.09 0.89 0.00 0.00 0.04 0.00 0.00 61.00 62.02 1jvm s PRO 83 Cb -0.02 -2.23 0.00 0.00 0.04 0.00 0.00 34.50 32.29 1jvm s PRO 83 CO -0.01 -0.10 0.01 0.28 0.04 0.00 0.00 177.00 177.22 1jvm n VAL 84 N -1.08 0.00 -3.58 -0.36 0.31 -1.26 -4.88 118.33 107.48 1jvm n VAL 84 Ca 0.06 -0.20 -0.38 0.00 -0.01 0.00 0.00 64.34 63.81 1jvm n VAL 84 Cb 0.54 1.02 -0.06 0.00 -0.91 0.00 0.00 33.84 34.43 1jvm n VAL 84 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1jvm s THR 85 N -0.39 5.13 0.61 2.52 -4.23 -1.26 -4.95 115.64 113.07 1jvm s THR 85 Ca 0.00 0.68 0.28 0.00 -1.18 0.00 0.00 61.69 61.48 1jvm s THR 85 Cb 0.00 -3.64 0.36 0.00 1.34 0.00 0.00 72.50 70.55 1jvm s THR 85 CO 0.00 0.57 1.88 0.17 -0.54 0.00 0.00 174.62 176.69 1jvm h LEU 86 N 4.68 0.00 0.00 4.79 -0.00 -1.96 -1.20 115.31 121.62 1jvm h LEU 86 Ca -0.52 0.00 -0.10 0.00 -0.00 0.00 0.00 57.88 57.26 1jvm h LEU 86 Cb 1.22 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.86 1jvm h LEU 86 CO 0.61 0.00 -0.59 -0.50 -0.00 0.00 0.00 178.44 177.97 1jvm h TRP 87 N 0.00 0.00 -0.91 0.17 4.06 -1.92 -3.34 115.95 114.00 1jvm h TRP 87 Ca 0.17 0.00 0.25 0.00 2.06 0.00 0.00 58.89 61.37 1jvm h TRP 87 Cb 1.11 0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 29.23 1jvm h TRP 87 CO 0.00 1.05 0.64 0.78 -3.56 0.00 0.00 178.44 177.35 1jvm h GLY 88 N -1.00 0.34 2.00 1.49 0.00 -1.53 0.82 103.07 105.19 1jvm h GLY 88 Ca -0.15 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.11 1jvm h GLY 88 CO -0.09 -0.01 0.00 3.21 0.00 0.00 0.00 176.54 179.64 1jvm h ARG 89 N 0.14 0.00 0.05 4.80 3.08 -1.39 -1.79 114.38 119.27 1jvm h ARG 89 Ca 0.45 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 60.33 1jvm h ARG 89 Cb 1.56 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.60 1jvm h ARG 89 CO -0.08 0.00 -0.89 0.00 -1.07 0.00 0.00 179.97 177.93 1jvm h VAL 91 N -0.71 0.57 0.04 0.00 2.07 -1.22 -1.57 116.25 115.42 1jvm h VAL 91 Ca -0.21 -0.09 -0.00 0.00 0.82 0.00 0.00 66.70 67.22 1jvm h VAL 91 Cb 1.40 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 31.46 1jvm h VAL 91 CO -0.02 0.05 -0.02 0.00 0.02 0.00 0.00 177.57 177.59 1jvm h ALA 92 N 1.57 -0.80 -0.83 1.67 0.00 -1.29 -2.26 119.26 117.33 1jvm h ALA 92 Ca 0.51 -0.01 0.23 0.00 0.00 0.00 0.00 54.91 55.63 1jvm h ALA 92 Cb 1.55 0.02 -0.16 0.00 0.00 0.00 0.00 17.79 19.20 1jvm h ALA 92 CO -0.15 -0.79 0.01 0.28 0.00 0.00 0.00 179.25 178.60 1jvm n VAL 93 N -2.16 -0.35 0.19 0.00 0.31 -0.68 0.12 118.33 115.77 1jvm n VAL 93 Ca -0.01 1.83 -0.15 0.00 -0.01 0.00 0.00 64.34 66.01 1jvm n VAL 93 Cb 0.02 -2.67 -0.08 0.00 -0.91 0.00 0.00 33.84 30.20 1jvm n VAL 93 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1jvm h VAL 94 N 0.00 0.70 -0.27 2.52 2.07 -1.34 -1.59 116.25 118.33 1jvm h VAL 94 Ca 0.50 -0.03 0.06 0.00 0.82 0.00 0.00 66.70 68.06 1jvm h VAL 94 Cb 1.03 0.71 -0.06 0.00 -1.52 0.00 0.00 31.29 31.44 1jvm h VAL 94 CO -0.78 0.01 -0.14 0.58 0.02 0.00 0.00 177.57 177.25 1jvm h VAL 95 N -0.43 0.57 0.04 2.57 2.07 0.16 0.07 116.25 121.30 1jvm h VAL 95 Ca -0.04 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.48 1jvm h VAL 95 Cb 0.33 0.57 -0.00 0.00 -1.52 0.00 0.00 31.29 30.67 1jvm h VAL 95 CO 0.07 0.00 -0.04 0.24 0.02 0.00 0.00 177.57 177.86 1jvm h MET 96 N -0.11 -0.07 -1.12 1.57 2.07 -0.80 -1.46 114.93 115.01 1jvm h MET 96 Ca 0.14 0.01 0.33 0.00 -2.07 0.00 0.00 59.70 58.11 1jvm h MET 96 Cb 0.32 0.02 -0.12 0.00 -1.87 0.00 0.00 31.60 29.95 1jvm h MET 96 CO -0.34 -0.05 0.71 0.28 1.07 0.00 0.00 176.91 178.58 1jvm h VAL 97 N -0.08 0.35 0.68 -2.22 2.07 -1.24 0.16 116.25 115.98 1jvm h VAL 97 Ca -0.01 -0.10 -0.03 0.00 0.82 0.00 0.00 66.70 67.39 1jvm h VAL 97 Cb 0.07 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 29.87 1jvm h VAL 97 CO -0.00 0.05 -0.51 0.00 0.02 0.00 0.00 177.57 177.13 1jvm h ALA 98 N 1.66 -1.23 0.23 1.67 0.00 -0.52 0.11 119.26 121.18 1jvm h ALA 98 Ca 0.70 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 55.37 1jvm h ALA 98 Cb 1.88 0.67 -0.01 0.00 0.00 0.00 0.00 17.79 20.33 1jvm h ALA 98 CO -0.40 -1.22 -0.17 0.78 0.00 0.00 0.00 179.25 178.25 1jvm h GLY 99 N -1.14 -0.40 -0.29 0.00 0.00 0.25 0.40 103.07 101.89 1jvm h GLY 99 Ca -0.09 0.19 0.12 0.00 0.00 0.00 0.00 47.33 47.54 1jvm h GLY 99 CO 0.04 -0.17 -0.22 -2.22 0.00 0.00 0.00 176.54 173.97 1jvm h ILE 100 N -0.40 0.30 0.78 2.60 2.04 -0.78 0.19 117.51 122.25 1jvm h ILE 100 Ca -0.02 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.81 1jvm h ILE 100 Cb 0.35 0.30 0.00 0.00 -0.74 0.00 0.00 36.82 36.73 1jvm h ILE 100 CO 0.00 0.00 -0.42 0.74 0.00 0.00 0.00 178.15 178.47 1jvm h THR 101 N -0.07 0.15 -0.39 -0.27 2.02 -0.44 0.79 112.91 114.71 1jvm h THR 101 Ca 0.27 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.53 1jvm h THR 101 Cb 0.50 0.15 -0.09 0.00 -1.74 0.00 0.00 68.15 66.96 1jvm h THR 101 CO -0.64 0.00 -0.33 0.28 0.37 0.00 0.00 175.52 175.20 1jvm h SER 102 N -1.11 -1.09 -0.22 4.18 0.02 0.51 0.20 113.55 116.05 1jvm h SER 102 Ca -0.10 0.19 -0.02 0.00 -0.84 0.00 0.00 61.79 61.02 1jvm h SER 102 Cb 0.87 0.51 -0.01 0.00 0.14 0.00 0.00 62.40 63.90 1jvm h SER 102 CO 0.14 -0.32 0.08 -0.26 -1.14 0.00 0.00 176.83 175.33 1jvm h PHE 103 N -0.26 0.34 -0.80 3.45 -1.00 -0.98 -1.57 116.94 116.12 1jvm h PHE 103 Ca 0.17 -0.03 0.23 0.00 2.81 0.00 0.00 57.97 61.14 1jvm h PHE 103 Cb 0.54 -0.10 -0.04 0.00 3.61 0.00 0.00 35.95 39.96 1jvm h PHE 103 CO -0.53 0.39 0.57 0.78 -1.61 0.00 0.00 178.31 177.91 1jvm h GLY 104 N 0.19 0.09 0.57 -1.45 0.00 -0.10 0.11 103.07 102.49 1jvm h GLY 104 Ca 0.07 -0.02 -0.02 0.00 0.00 0.00 0.00 47.33 47.36 1jvm h GLY 104 CO -0.00 -0.00 -0.19 -2.00 0.00 0.00 0.00 176.54 174.35 1jvm h LEU 105 N 0.04 -0.44 -2.15 3.11 5.85 0.29 -2.42 115.31 119.59 1jvm h LEU 105 Ca 0.38 -0.12 0.07 0.00 0.84 0.00 0.00 57.88 59.05 1jvm h LEU 105 Cb 1.47 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.60 1jvm h LEU 105 CO -0.02 -0.03 0.23 0.58 -0.34 0.00 0.00 178.44 178.86 1jvm h VAL 106 N -0.96 0.56 -0.14 1.05 2.07 -0.23 0.89 116.25 119.49 1jvm h VAL 106 Ca -0.05 0.00 -0.15 0.00 0.82 0.00 0.00 66.70 67.32 1jvm h VAL 106 Cb 0.54 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 1jvm h VAL 106 CO 0.09 0.00 -0.54 0.74 0.02 0.00 0.00 177.57 177.88 1jvm h THR 107 N 0.00 1.34 -0.05 2.57 2.02 -0.74 -2.21 112.91 115.83 1jvm h THR 107 Ca 0.11 -1.80 -0.01 0.00 0.77 0.00 0.00 66.41 65.49 1jvm h THR 107 Cb 0.57 1.82 -0.00 0.00 -1.74 0.00 0.00 68.15 68.80 1jvm h THR 107 CO -0.00 0.55 0.01 0.00 0.37 0.00 0.00 175.52 176.44 1jvm h ALA 108 N 1.11 0.07 -0.61 6.16 0.00 0.13 -2.57 119.26 123.54 1jvm h ALA 108 Ca 0.01 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.78 1jvm h ALA 108 Cb 1.04 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 1jvm h ALA 108 CO 0.09 -0.29 0.40 0.00 0.00 0.00 0.00 179.25 179.46 1jvm h ALA 109 N 0.76 0.78 -0.78 0.00 0.00 -1.13 0.97 119.26 119.85 1jvm h ALA 109 Ca 0.02 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 54.98 1jvm h ALA 109 Cb 0.28 -0.24 -0.07 0.00 0.00 0.00 0.00 17.79 17.76 1jvm h ALA 109 CO 0.00 0.20 0.43 -0.07 0.00 0.00 0.00 179.25 179.81 1jvm h LEU 110 N 0.82 0.61 0.16 0.00 3.38 -1.35 -2.03 115.31 116.90 1jvm h LEU 110 Ca 0.23 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.24 1jvm h LEU 110 Cb -0.08 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.61 1jvm h LEU 110 CO -0.05 0.35 -0.08 0.00 0.09 0.00 0.00 178.44 178.75 1jvm h ALA 111 N 1.44 -0.21 -0.08 1.53 0.00 -1.00 -2.89 119.26 118.06 1jvm h ALA 111 Ca 0.38 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 55.09 1jvm h ALA 111 Cb 0.36 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1jvm h ALA 111 CO -0.25 -0.28 0.33 0.00 0.00 0.00 0.00 179.25 179.05 1jvm h THR 112 N -0.89 0.08 0.23 0.00 1.03 -0.75 0.68 112.91 113.29 1jvm h THR 112 Ca -0.02 0.00 -0.31 0.00 -0.01 0.00 0.00 66.41 66.07 1jvm h THR 112 Cb 0.51 0.69 0.04 0.00 -1.07 0.00 0.00 68.15 68.32 1jvm h THR 112 CO 0.04 0.00 -1.35 -0.25 -0.01 0.00 0.00 175.52 173.94 1jvm h TRP 113 N 0.00 0.93 -0.33 0.00 7.01 -1.39 -3.14 115.95 119.02 1jvm h TRP 113 Ca 0.04 -0.67 -0.02 0.00 2.11 0.00 0.00 58.89 60.35 1jvm h TRP 113 Cb 0.70 -0.04 -0.02 0.00 -2.10 0.00 0.00 29.16 27.70 1jvm h TRP 113 CO 0.00 1.52 0.11 0.74 -2.79 0.00 0.00 178.44 178.02 1jvm h PHE 114 N 0.08 0.47 -0.01 2.65 0.05 0.56 0.31 116.94 121.04 1jvm h PHE 114 Ca -0.23 -0.02 0.00 0.00 3.82 0.00 0.00 57.97 61.54 1jvm h PHE 114 Cb 2.06 -0.15 0.00 0.00 2.00 0.00 0.00 35.95 39.87 1jvm h PHE 114 CO 0.14 0.39 0.00 0.28 -0.18 0.00 0.00 178.31 178.94 1jvm n VAL 115 N -4.38 0.01 0.02 -0.55 0.31 -0.77 -2.15 118.33 110.81 1jvm n VAL 115 Ca 0.02 -0.04 -0.12 0.00 -0.01 0.00 0.00 64.34 64.19 1jvm n VAL 115 Cb 0.15 -0.33 -0.14 0.00 -0.91 0.00 0.00 33.84 32.62 1jvm n VAL 115 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1jvm h GLY 116 N 5.06 0.10 -2.17 2.92 0.00 -0.34 -3.15 103.07 105.51 1jvm h GLY 116 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.06 1jvm h GLY 116 CO 0.00 0.23 0.00 -0.96 0.00 0.00 0.00 176.54 175.81 1jvm n ARG 117 N -3.25 2.57 -0.05 4.80 1.85 -1.12 -3.97 116.66 117.49 1jvm n ARG 117 Ca -0.15 -2.34 -0.02 0.00 -1.00 0.00 0.00 57.85 54.34 1jvm n ARG 117 Cb 1.03 -1.47 -0.15 0.00 -1.05 0.00 0.00 32.46 30.82 1jvm n ARG 117 CO 0.00 0.00 0.00 -0.85 -0.01 0.00 0.00 177.63 176.77 1jvm n GLU 118 N 1.29 0.67 -0.88 2.89 0.28 -0.91 -4.04 120.64 119.95 1jvm n GLU 118 Ca 0.19 -0.03 -0.02 0.00 -0.16 0.00 0.00 57.16 57.14 1jvm n GLU 118 Cb 0.56 -1.56 0.30 0.00 1.43 0.00 0.00 31.44 32.16 1jvm n GLU 118 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1jvm n GLN 119 N -2.63 3.76 0.00 3.44 1.13 -1.19 -5.07 117.38 116.83 1jvm n GLN 119 Ca -0.21 -2.73 0.00 0.00 -1.94 0.00 0.00 57.00 52.12 1jvm n GLN 119 Cb 0.94 -2.14 0.00 0.00 0.11 0.00 0.00 30.24 29.15 1jvm n GLN 119 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01