#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ma5 s ASP 60 N 0.00 6.56 0.08 1.62 2.15 -1.26 -4.97 116.67 120.85 3ma5 s ASP 60 Ca 0.00 0.66 -0.15 0.00 0.43 0.00 0.00 52.55 53.49 3ma5 s ASP 60 Cb 0.00 -2.18 -0.03 0.00 -0.30 0.00 0.00 42.92 40.40 3ma5 s ASP 60 CO 0.00 0.24 1.07 -2.65 -0.17 0.00 0.00 175.17 173.66 3ma5 n PRO 61 N 2.66 -0.21 -0.24 4.34 -0.02 -1.26 -0.47 135.00 139.81 3ma5 n PRO 61 Ca -0.14 1.06 -0.06 0.00 -2.02 0.00 0.00 63.50 62.33 3ma5 n PRO 61 Cb 0.53 -1.56 0.04 0.00 -0.02 0.00 0.00 33.50 32.48 3ma5 n PRO 61 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 3ma5 h PHE 62 N 0.00 0.94 0.10 6.00 3.57 -1.98 0.01 116.94 125.58 3ma5 h PHE 62 Ca 0.08 -0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.55 3ma5 h PHE 62 Cb 0.20 -0.29 -0.05 0.00 2.79 0.00 0.00 35.95 38.59 3ma5 h PHE 62 CO -0.81 0.70 -0.52 1.15 -2.23 0.00 0.00 178.31 176.60 3ma5 h THR 63 N 0.91 0.02 0.00 4.41 2.02 -1.17 0.16 112.91 119.25 3ma5 h THR 63 Ca 0.23 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.32 3ma5 h THR 63 Cb 0.10 0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 66.52 3ma5 h THR 63 CO -0.03 0.00 -0.41 0.08 0.37 0.00 0.00 175.52 175.53 3ma5 h ARG 64 N -0.73 0.00 0.68 6.66 0.11 -1.16 0.42 114.38 120.36 3ma5 h ARG 64 Ca 0.00 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.05 3ma5 h ARG 64 Cb 0.75 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.83 3ma5 h ARG 64 CO -0.30 0.41 -0.38 -0.92 0.10 0.00 0.00 179.97 178.88 3ma5 h TYR 65 N 0.00 -1.00 -0.87 4.08 3.20 -0.20 0.47 116.97 122.66 3ma5 h TYR 65 Ca -0.00 -0.02 0.07 0.00 3.14 0.00 0.00 58.73 61.92 3ma5 h TYR 65 Cb 0.78 0.35 -0.06 0.00 1.54 0.00 0.00 36.73 39.34 3ma5 h TYR 65 CO 0.00 -0.59 0.57 0.00 -1.64 0.00 0.00 178.16 176.50 3ma5 h ALA 66 N -0.71 1.58 0.26 1.82 0.00 -0.54 -0.12 119.26 121.54 3ma5 h ALA 66 Ca -0.09 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3ma5 h ALA 66 Cb 0.78 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 3ma5 h ALA 66 CO 0.12 0.28 -0.31 1.25 0.00 0.00 0.00 179.25 180.59 3ma5 h LEU 67 N 0.95 -0.86 -1.75 0.00 7.12 -0.34 -0.91 115.31 119.52 3ma5 h LEU 67 Ca 0.38 0.07 0.34 0.00 0.13 0.00 0.00 57.88 58.80 3ma5 h LEU 67 Cb 0.26 0.29 -0.07 0.00 -0.53 0.00 0.00 40.66 40.61 3ma5 h LEU 67 CO -0.15 -0.39 0.82 0.00 -0.13 0.00 0.00 178.44 178.60 3ma5 h ALA 68 N -1.19 2.85 -0.13 1.25 0.00 0.70 -0.14 119.26 122.60 3ma5 h ALA 68 Ca -0.03 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.72 3ma5 h ALA 68 Cb 0.51 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 3ma5 h ALA 68 CO -0.06 -1.24 -0.60 1.96 0.00 0.00 0.00 179.25 179.30 3ma5 h GLN 69 N 0.13 0.43 -0.16 0.00 1.08 0.12 -2.77 115.11 113.93 3ma5 h GLN 69 Ca 0.61 -0.29 -0.09 0.00 -1.45 0.00 0.00 58.65 57.43 3ma5 h GLN 69 Cb 2.13 0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 29.60 3ma5 h GLN 69 CO -0.13 0.90 -0.26 0.93 -0.95 0.00 0.00 178.83 179.31 3ma5 h GLU 70 N 0.32 0.46 -0.18 1.46 4.39 0.26 -3.10 114.58 118.20 3ma5 h GLU 70 Ca -0.00 -0.28 0.03 0.00 0.34 0.00 0.00 59.36 59.44 3ma5 h GLU 70 Cb 1.14 0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 29.76 3ma5 h GLU 70 CO 0.10 0.88 -0.42 0.45 -1.16 0.00 0.00 179.01 178.87 3ma5 h HIS 71 N 0.10 -1.25 -0.79 4.33 3.86 -1.51 0.14 115.15 120.03 3ma5 h HIS 71 Ca 0.01 0.05 0.23 0.00 -1.16 0.00 0.00 60.37 59.50 3ma5 h HIS 71 Cb 0.84 0.57 -0.15 0.00 1.06 0.00 0.00 27.41 29.74 3ma5 h HIS 71 CO 0.09 -0.40 0.06 1.28 0.86 0.00 0.00 177.93 179.82 3ma5 n LEU 72 N -4.73 -0.05 -0.14 2.43 4.77 -1.05 0.70 117.00 118.94 3ma5 n LEU 72 Ca -0.04 1.33 -0.08 0.00 -0.03 0.00 0.00 56.01 57.19 3ma5 n LEU 72 Cb 0.28 -0.50 0.06 0.00 -2.33 0.00 0.00 43.42 40.93 3ma5 n LEU 72 CO 0.04 -1.37 0.75 0.11 -1.33 0.00 0.00 177.39 175.60 3ma5 h LYS 73 N 0.00 0.90 -0.96 3.23 1.57 -0.93 -2.75 116.57 117.63 3ma5 h LYS 73 Ca 0.50 -0.33 -0.17 0.00 -1.87 0.00 0.00 60.65 58.77 3ma5 h LYS 73 Cb 1.07 -0.06 -0.10 0.00 0.08 0.00 0.00 32.23 33.21 3ma5 h LYS 73 CO -0.73 0.98 0.22 0.72 -0.57 0.00 0.00 179.45 180.07 3ma5 n HIS 74 N -4.14 1.23 -2.16 -1.35 8.25 0.22 -4.89 115.22 112.38 3ma5 n HIS 74 Ca 0.01 -0.90 -0.15 0.00 -0.26 0.00 0.00 57.72 56.42 3ma5 n HIS 74 Cb 0.40 -0.49 -0.02 0.00 1.12 0.00 0.00 29.99 31.00 3ma5 n HIS 74 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 3ma5 n ASP 75 N -0.10 -4.29 -3.82 0.41 10.43 -0.87 -4.90 116.55 113.42 3ma5 n ASP 75 Ca 0.23 0.20 -0.40 0.00 2.57 0.00 0.00 54.79 57.38 3ma5 n ASP 75 Cb 0.93 -3.70 0.00 0.00 1.84 0.00 0.00 41.12 40.19 3ma5 n ASP 75 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 3ma5 n ASN 76 N -1.54 6.35 -0.07 -2.24 4.13 -0.88 -4.85 115.26 116.18 3ma5 n ASN 76 Ca -0.17 -3.50 -0.02 0.00 1.68 0.00 0.00 54.58 52.57 3ma5 n ASN 76 Cb 0.59 -1.16 0.23 0.00 -1.54 0.00 0.00 39.78 37.90 3ma5 n ASN 76 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3ma5 h ALA 77 N 4.91 1.25 -0.81 5.41 0.00 -1.88 -1.93 119.26 126.22 3ma5 h ALA 77 Ca 0.28 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 3ma5 h ALA 77 Cb 0.54 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 3ma5 h ALA 77 CO 1.23 0.51 0.35 1.03 0.00 0.00 0.00 179.25 182.37 3ma5 h SER 78 N 0.66 1.09 -0.15 0.00 0.87 -1.99 0.17 113.55 114.20 3ma5 h SER 78 Ca 0.14 -0.15 -0.12 0.00 -1.23 0.00 0.00 61.79 60.43 3ma5 h SER 78 Cb 0.35 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.03 3ma5 h SER 78 CO 0.01 0.94 -0.37 -0.09 -0.53 0.00 0.00 176.83 176.79 3ma5 h ARG 79 N 1.17 0.51 -0.37 2.24 9.65 -1.95 -2.08 114.38 123.54 3ma5 h ARG 79 Ca 0.27 -0.35 0.06 0.00 -1.10 0.00 0.00 59.98 58.86 3ma5 h ARG 79 Cb 0.17 0.05 -0.05 0.00 -1.39 0.00 0.00 29.97 28.75 3ma5 h ARG 79 CO -0.03 0.96 0.08 0.00 2.80 0.00 0.00 179.97 183.78 3ma5 h ALA 80 N 0.54 0.40 -0.69 2.80 0.00 -1.09 -2.48 119.26 118.74 3ma5 h ALA 80 Ca -0.00 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3ma5 h ALA 80 Cb 0.98 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 3ma5 h ALA 80 CO 0.08 -0.33 0.41 1.25 0.00 0.00 0.00 179.25 180.66 3ma5 h LEU 81 N 0.20 0.83 0.16 0.00 5.85 -0.59 -1.10 115.31 120.67 3ma5 h LEU 81 Ca 0.18 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.84 3ma5 h LEU 81 Cb 0.21 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 3ma5 h LEU 81 CO -0.23 0.65 -0.36 0.00 -0.34 0.00 0.00 178.44 178.16 3ma5 h ALA 82 N 1.21 -0.91 -0.49 1.25 0.00 -1.00 -1.20 119.26 118.12 3ma5 h ALA 82 Ca 0.25 -0.09 0.10 0.00 0.00 0.00 0.00 54.91 55.16 3ma5 h ALA 82 Cb -0.02 0.70 -0.09 0.00 0.00 0.00 0.00 17.79 18.38 3ma5 h ALA 82 CO -0.05 -0.98 -0.13 -0.07 0.00 0.00 0.00 179.25 178.03 3ma5 h LEU 83 N -0.57 -0.47 -0.36 0.00 3.38 -1.36 -2.12 115.31 113.80 3ma5 h LEU 83 Ca -0.02 0.15 0.06 0.00 0.09 0.00 0.00 57.88 58.16 3ma5 h LEU 83 Cb 0.54 0.31 -0.05 0.00 0.09 0.00 0.00 40.66 41.55 3ma5 h LEU 83 CO -0.15 -0.17 0.03 -0.26 0.09 0.00 0.00 178.44 177.98 3ma5 h PHE 84 N -0.01 0.04 -0.86 1.13 0.04 -0.88 0.21 116.94 116.61 3ma5 h PHE 84 Ca 0.24 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 61.01 3ma5 h PHE 84 Cb 0.37 0.04 -0.04 0.00 2.20 0.00 0.00 35.95 38.51 3ma5 h PHE 84 CO -0.42 -0.03 0.45 0.93 -0.60 0.00 0.00 178.31 178.63 3ma5 h GLU 85 N 0.14 1.21 0.22 1.51 5.08 -0.82 -1.03 114.58 120.90 3ma5 h GLU 85 Ca 0.17 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 3ma5 h GLU 85 Cb 0.23 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3ma5 h GLU 85 CO -0.27 0.91 -0.11 1.49 -1.00 0.00 0.00 179.01 180.03 3ma5 h GLU 86 N 1.21 -0.29 -0.90 2.33 4.81 -0.92 -2.86 114.58 117.95 3ma5 h GLU 86 Ca 0.30 0.02 0.12 0.00 -0.13 0.00 0.00 59.36 59.67 3ma5 h GLU 86 Cb 0.07 0.07 -0.08 0.00 0.63 0.00 0.00 28.75 29.43 3ma5 h GLU 86 CO -0.04 -0.12 0.52 -0.07 -0.73 0.00 0.00 179.01 178.57 3ma5 h LEU 87 N -0.40 0.72 -1.89 1.64 3.38 -0.70 0.67 115.31 118.72 3ma5 h LEU 87 Ca -0.03 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 3ma5 h LEU 87 Cb 0.30 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 3ma5 h LEU 87 CO 0.05 0.37 -0.13 0.58 0.09 0.00 0.00 178.44 179.40 3ma5 h VAL 88 N 0.81 0.68 0.00 1.22 2.07 -0.97 -0.43 116.25 119.62 3ma5 h VAL 88 Ca 0.45 -0.52 -0.32 0.00 0.82 0.00 0.00 66.70 67.13 3ma5 h VAL 88 Cb 0.50 1.32 -0.06 0.00 -1.52 0.00 0.00 31.29 31.54 3ma5 h VAL 88 CO -0.29 0.12 -2.30 -1.84 0.02 0.00 0.00 177.57 173.29 3ma5 n GLU 89 N -3.78 0.68 -0.05 1.57 0.28 -0.47 -3.36 120.64 115.51 3ma5 n GLU 89 Ca -0.02 -0.02 -0.14 0.00 -0.16 0.00 0.00 57.16 56.82 3ma5 n GLU 89 Cb 0.23 -1.54 -0.12 0.00 1.43 0.00 0.00 31.44 31.44 3ma5 n GLU 89 CO 0.00 0.00 0.00 1.79 -0.16 0.00 0.00 177.13 178.76 3ma5 h THR 90 N 0.00 1.70 -2.64 3.84 1.35 -0.87 -3.39 112.91 112.90 3ma5 h THR 90 Ca -0.47 -2.13 -0.61 0.00 -0.55 0.00 0.00 66.41 62.66 3ma5 h THR 90 Cb 2.08 3.13 -0.42 0.00 -1.73 0.00 0.00 68.15 71.22 3ma5 h THR 90 CO 0.03 0.56 -0.61 0.47 -0.25 0.00 0.00 175.52 175.71 3ma5 n ASP 91 N -4.62 3.13 0.26 5.36 8.00 -0.18 -4.96 116.55 123.55 3ma5 n ASP 91 Ca -0.10 -3.27 0.11 0.00 0.71 0.00 0.00 54.79 52.25 3ma5 n ASP 91 Cb 0.46 -0.71 0.73 0.00 -0.02 0.00 0.00 41.12 41.58 3ma5 n ASP 91 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 3ma5 h PRO 92 N 4.83 0.00 -0.99 -0.24 0.13 -1.66 -3.04 132.00 131.03 3ma5 h PRO 92 Ca 0.17 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.71 3ma5 h PRO 92 Cb 0.72 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 31.55 3ma5 h PRO 92 CO 0.75 0.09 0.74 -0.40 -0.23 0.00 0.00 178.00 178.95 3ma5 n ASP 93 N -3.94 5.60 -4.22 1.44 5.68 -1.26 -4.70 116.55 115.15 3ma5 n ASP 93 Ca -0.02 -3.70 -0.42 0.00 -0.50 0.00 0.00 54.79 50.15 3ma5 n ASP 93 Cb 0.18 -0.90 -0.06 0.00 -1.14 0.00 0.00 41.12 39.20 3ma5 n ASP 93 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 3ma5 s TYR 94 N -3.55 3.53 0.41 2.11 5.04 -1.15 -4.99 117.35 118.76 3ma5 s TYR 94 Ca 0.61 -2.16 0.21 0.00 -2.44 0.00 0.00 57.07 53.28 3ma5 s TYR 94 Cb 0.49 -3.53 1.16 0.00 0.35 0.00 0.00 41.96 40.43 3ma5 s TYR 94 CO 0.05 -0.94 1.77 0.28 -1.34 0.00 0.00 175.55 175.37 3ma5 h VAL 95 N 5.35 0.50 -0.28 3.14 2.07 -1.89 -3.21 116.25 121.94 3ma5 h VAL 95 Ca -0.04 -0.12 0.08 0.00 0.82 0.00 0.00 66.70 67.45 3ma5 h VAL 95 Cb 1.02 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 3ma5 h VAL 95 CO 0.78 0.06 0.20 1.23 0.02 0.00 0.00 177.57 179.87 3ma5 h GLY 96 N 0.34 0.00 1.17 2.17 0.00 -1.98 -2.92 103.07 101.85 3ma5 h GLY 96 Ca 0.60 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.84 3ma5 h GLY 96 CO -0.27 0.00 0.04 -0.84 0.00 0.00 0.00 176.54 175.47 3ma5 h THR 97 N 0.00 1.26 -0.69 4.70 2.02 -1.96 -3.29 112.91 114.94 3ma5 h THR 97 Ca 0.13 -1.07 0.05 0.00 0.77 0.00 0.00 66.41 66.29 3ma5 h THR 97 Cb 0.54 0.76 -0.04 0.00 -1.74 0.00 0.00 68.15 67.67 3ma5 h THR 97 CO -0.00 0.39 0.46 1.88 0.37 0.00 0.00 175.52 178.61 3ma5 h TYR 98 N 0.93 0.75 -0.15 3.16 -1.99 -1.76 -1.65 116.97 116.26 3ma5 h TYR 98 Ca 0.18 0.02 -0.14 0.00 2.00 0.00 0.00 58.73 60.78 3ma5 h TYR 98 Cb 0.48 -0.25 0.00 0.00 2.00 0.00 0.00 36.73 38.97 3ma5 h TYR 98 CO 0.03 0.41 -0.46 -0.92 -0.00 0.00 0.00 178.16 177.23 3ma5 h TYR 99 N 0.75 0.74 -0.00 4.88 5.03 -1.75 -2.80 116.97 123.83 3ma5 h TYR 99 Ca 0.29 -0.30 -0.14 0.00 2.58 0.00 0.00 58.73 61.16 3ma5 h TYR 99 Cb 0.19 -0.13 -0.02 0.00 1.55 0.00 0.00 36.73 38.33 3ma5 h TYR 99 CO -0.00 1.07 -0.66 0.45 -1.32 0.00 0.00 178.16 177.69 3ma5 h HIS 100 N 0.21 0.03 -0.27 -3.82 3.86 -1.67 -2.24 115.15 111.24 3ma5 h HIS 100 Ca -0.02 -0.01 -0.08 0.00 -1.16 0.00 0.00 60.37 59.10 3ma5 h HIS 100 Cb 1.08 -0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.54 3ma5 h HIS 100 CO 0.10 0.68 -0.15 1.25 0.86 0.00 0.00 177.93 180.67 3ma5 h LEU 101 N 0.02 0.60 -0.69 2.43 5.85 -1.34 -1.85 115.31 120.33 3ma5 h LEU 101 Ca -0.01 -0.42 -0.12 0.00 0.84 0.00 0.00 57.88 58.17 3ma5 h LEU 101 Cb 1.17 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.02 3ma5 h LEU 101 CO 0.09 0.89 -0.29 1.23 -0.34 0.00 0.00 178.44 180.02 3ma5 h GLY 102 N 0.32 0.76 2.00 3.75 0.00 -1.50 0.69 103.07 109.09 3ma5 h GLY 102 Ca 0.06 -0.69 -0.03 0.00 0.00 0.00 0.00 47.33 46.67 3ma5 h GLY 102 CO 0.04 0.62 -0.14 0.50 0.00 0.00 0.00 176.54 177.57 3ma5 h LYS 103 N 0.60 0.00 0.20 4.80 1.79 -1.32 -1.76 116.57 120.88 3ma5 h LYS 103 Ca 0.07 0.00 -0.33 0.00 -2.18 0.00 0.00 60.65 58.21 3ma5 h LYS 103 Cb 0.79 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 31.46 3ma5 h LYS 103 CO 0.07 0.14 -1.56 1.25 -1.08 0.00 0.00 179.45 178.26 3ma5 h LEU 104 N 0.00 0.65 -1.02 2.94 5.85 -0.57 -3.08 115.31 120.08 3ma5 h LEU 104 Ca -0.00 -0.81 -0.03 0.00 0.84 0.00 0.00 57.88 57.89 3ma5 h LEU 104 Cb 0.54 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.33 3ma5 h LEU 104 CO 0.02 1.66 0.36 1.88 -0.34 0.00 0.00 178.44 182.01 3ma5 h TYR 105 N 0.11 1.05 -0.23 1.25 0.05 -0.47 -0.73 116.97 118.00 3ma5 h TYR 105 Ca -0.27 -0.04 -0.00 0.00 0.05 0.00 0.00 58.73 58.46 3ma5 h TYR 105 Cb 2.10 -0.33 -0.01 0.00 1.01 0.00 0.00 36.73 39.50 3ma5 h TYR 105 CO 0.10 0.76 0.12 0.93 -1.05 0.00 0.00 178.16 179.02 3ma5 h GLU 106 N 1.05 0.32 -0.16 4.88 5.08 -1.39 0.08 114.58 124.43 3ma5 h GLU 106 Ca 0.26 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.57 3ma5 h GLU 106 Cb 0.10 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 3ma5 h GLU 106 CO -0.03 0.29 0.06 0.00 -1.00 0.00 0.00 179.01 178.33 3ma5 h ARG 107 N 0.26 0.21 -0.07 2.33 3.08 -1.34 -0.08 114.38 118.78 3ma5 h ARG 107 Ca 0.08 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.11 3ma5 h ARG 107 Cb 0.07 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.07 3ma5 h ARG 107 CO -0.01 0.18 0.00 1.28 -1.07 0.00 0.00 179.97 180.35 3ma5 n LEU 108 N -4.47 0.36 -0.76 3.04 4.77 -0.33 -4.87 117.00 114.74 3ma5 n LEU 108 Ca -0.01 -0.18 -0.10 0.00 -0.03 0.00 0.00 56.01 55.69 3ma5 n LEU 108 Cb 0.11 -0.05 -0.04 0.00 -2.33 0.00 0.00 43.42 41.11 3ma5 n LEU 108 CO 0.35 0.09 -0.09 -0.67 -1.33 0.00 0.00 177.39 175.74 3ma5 n ASP 109 N -0.30 -5.70 -2.87 -1.43 2.03 -0.04 -4.84 116.55 103.39 3ma5 n ASP 109 Ca 0.02 0.25 -0.37 0.00 0.52 0.00 0.00 54.79 55.21 3ma5 n ASP 109 Cb 0.06 -4.07 0.03 0.00 -0.72 0.00 0.00 41.12 36.41 3ma5 n ASP 109 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3ma5 n ARG 110 N -0.70 3.07 -0.22 -0.67 1.74 -0.06 -4.84 116.66 114.97 3ma5 n ARG 110 Ca -0.10 -3.82 0.03 0.00 -0.77 0.00 0.00 57.85 53.19 3ma5 n ARG 110 Cb 0.58 -2.28 0.14 0.00 -1.02 0.00 0.00 32.46 29.88 3ma5 n ARG 110 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3ma5 h THR 111 N 2.15 0.54 -0.54 0.55 1.03 -1.81 -0.82 112.91 114.01 3ma5 h THR 111 Ca 0.50 -0.08 0.06 0.00 -0.01 0.00 0.00 66.41 66.89 3ma5 h THR 111 Cb 0.24 0.30 -0.03 0.00 -1.07 0.00 0.00 68.15 67.58 3ma5 h THR 111 CO 1.29 0.04 0.36 0.44 -0.01 0.00 0.00 175.52 177.64 3ma5 h ASP 112 N 0.22 0.45 -0.15 0.00 5.19 -1.93 0.14 116.42 120.34 3ma5 h ASP 112 Ca 0.36 0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 56.69 3ma5 h ASP 112 Cb 0.59 -0.10 -0.02 0.00 0.18 0.00 0.00 39.33 39.99 3ma5 h ASP 112 CO -0.49 0.29 -0.16 0.44 -3.12 0.00 0.00 179.24 176.20 3ma5 h ASP 113 N 0.51 0.54 -0.76 6.45 5.19 -1.55 -2.77 116.42 124.04 3ma5 h ASP 113 Ca 0.23 -0.16 -0.04 0.00 -0.62 0.00 0.00 57.03 56.44 3ma5 h ASP 113 Cb 0.27 -0.15 -0.03 0.00 0.18 0.00 0.00 39.33 39.60 3ma5 h ASP 113 CO -0.06 0.73 0.32 0.00 -3.12 0.00 0.00 179.24 177.10 3ma5 h ALA 114 N 1.33 0.99 -0.11 3.45 0.00 -0.31 -2.57 119.26 122.03 3ma5 h ALA 114 Ca 0.08 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 3ma5 h ALA 114 Cb 0.57 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3ma5 h ALA 114 CO 0.04 0.60 -0.41 0.82 0.00 0.00 0.00 179.25 180.30 3ma5 h ILE 115 N 1.09 1.31 0.00 0.00 2.04 -1.12 0.45 117.51 121.28 3ma5 h ILE 115 Ca 0.26 -1.51 -0.02 0.00 1.00 0.00 0.00 64.86 64.58 3ma5 h ILE 115 Cb 0.19 1.67 -0.00 0.00 -0.74 0.00 0.00 36.82 37.94 3ma5 h ILE 115 CO -0.02 0.45 -0.09 0.44 0.00 0.00 0.00 178.15 178.93 3ma5 h ASP 116 N 0.21 0.00 0.16 1.72 3.32 -1.30 -1.01 116.42 119.52 3ma5 h ASP 116 Ca 0.02 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 56.78 3ma5 h ASP 116 Cb 0.81 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.38 3ma5 h ASP 116 CO 0.06 0.09 -1.38 0.74 -1.72 0.00 0.00 179.24 177.03 3ma5 h THR 117 N 0.00 1.15 -0.52 0.35 2.02 -0.98 -1.77 112.91 113.16 3ma5 h THR 117 Ca -0.00 -2.51 -0.01 0.00 0.77 0.00 0.00 66.41 64.66 3ma5 h THR 117 Cb 0.80 2.89 -0.03 0.00 -1.74 0.00 0.00 68.15 70.08 3ma5 h THR 117 CO 0.01 0.76 0.29 1.88 0.37 0.00 0.00 175.52 178.83 3ma5 h TYR 118 N -0.14 0.69 -0.19 3.16 0.05 -0.82 0.30 116.97 120.02 3ma5 h TYR 118 Ca -0.27 -0.00 -0.17 0.00 0.05 0.00 0.00 58.73 58.33 3ma5 h TYR 118 Cb 1.89 -0.23 -0.00 0.00 1.01 0.00 0.00 36.73 39.40 3ma5 h TYR 118 CO 0.14 0.48 -0.59 0.00 -1.05 0.00 0.00 178.16 177.14 3ma5 h ALA 119 N 1.60 0.62 -0.54 3.88 0.00 -1.22 0.32 119.26 123.93 3ma5 h ALA 119 Ca 0.19 -0.53 -0.11 0.00 0.00 0.00 0.00 54.91 54.46 3ma5 h ALA 119 Cb 0.01 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3ma5 h ALA 119 CO -0.03 0.70 -0.08 1.96 0.00 0.00 0.00 179.25 181.79 3ma5 h GLN 120 N 0.45 0.99 -0.53 0.00 4.20 -0.47 -2.62 115.11 117.13 3ma5 h GLN 120 Ca -0.00 -0.35 -0.06 0.00 0.06 0.00 0.00 58.65 58.30 3ma5 h GLN 120 Cb 1.15 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.84 3ma5 h GLN 120 CO 0.11 1.02 0.10 0.78 -0.67 0.00 0.00 178.83 180.17 3ma5 h GLY 121 N 0.96 0.94 2.00 3.46 0.00 -0.14 -2.57 103.07 107.71 3ma5 h GLY 121 Ca 0.14 -0.61 -0.02 0.00 0.00 0.00 0.00 47.33 46.84 3ma5 h GLY 121 CO 0.04 0.57 -0.11 -2.22 0.00 0.00 0.00 176.54 174.82 3ma5 h ILE 122 N 0.76 0.55 -0.02 2.60 2.04 -0.81 0.95 117.51 123.58 3ma5 h ILE 122 Ca 0.16 -0.50 -0.12 0.00 1.00 0.00 0.00 64.86 65.39 3ma5 h ILE 122 Cb 0.39 1.33 0.01 0.00 -0.74 0.00 0.00 36.82 37.80 3ma5 h ILE 122 CO 0.01 0.11 -0.47 -0.33 0.00 0.00 0.00 178.15 177.47 3ma5 h GLU 123 N 0.00 0.36 -0.21 2.37 4.39 -1.08 -2.92 114.58 117.48 3ma5 h GLU 123 Ca -0.00 -0.36 -0.15 0.00 0.34 0.00 0.00 59.36 59.19 3ma5 h GLU 123 Cb 0.32 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.06 3ma5 h GLU 123 CO 0.01 1.03 -0.49 -0.39 -1.16 0.00 0.00 179.01 178.01 3ma5 h VAL 124 N -0.18 1.31 -0.35 3.13 -1.51 -1.25 -3.09 116.25 114.31 3ma5 h VAL 124 Ca -0.05 -1.71 -0.05 0.00 -1.23 0.00 0.00 66.70 63.66 3ma5 h VAL 124 Cb 1.18 1.68 -0.02 0.00 -2.13 0.00 0.00 31.29 32.00 3ma5 h VAL 124 CO 0.09 0.53 -0.01 0.00 -1.23 0.00 0.00 177.57 176.96 3ma5 h ALA 125 N 1.01 1.32 0.84 5.19 0.00 -0.88 2.25 119.26 128.99 3ma5 h ALA 125 Ca 0.02 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 3ma5 h ALA 125 Cb 1.02 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.67 3ma5 h ALA 125 CO 0.09 0.46 -0.40 0.00 0.00 0.00 0.00 179.25 179.40 3ma5 h ARG 126 N 0.53 -1.08 -0.16 0.00 3.08 -1.50 0.59 114.38 115.84 3ma5 h ARG 126 Ca 0.11 0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.23 3ma5 h ARG 126 Cb 0.36 0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.65 3ma5 h ARG 126 CO 0.01 -0.72 0.08 0.93 -1.07 0.00 0.00 179.97 179.20 3ma5 h GLU 127 N -1.28 0.22 0.00 0.04 4.39 -1.42 -3.37 114.58 113.17 3ma5 h GLU 127 Ca -0.11 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.55 3ma5 h GLU 127 Cb 0.86 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.47 3ma5 h GLU 127 CO 0.19 0.26 -0.10 0.39 -1.16 0.00 0.00 179.01 178.58 3ma5 n GLU 128 N -4.91 1.19 -1.25 2.33 -0.58 0.76 -5.07 120.64 113.11 3ma5 n GLU 128 Ca -0.04 -2.02 0.00 0.00 -0.42 0.00 0.00 57.16 54.68 3ma5 n GLU 128 Cb 0.09 -1.18 0.00 0.00 -0.57 0.00 0.00 31.44 29.78 3ma5 n GLU 128 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3ma5 n GLY 129 N -0.95 4.88 3.37 0.62 0.00 0.20 -4.85 105.19 108.46 3ma5 n GLY 129 Ca 0.10 -2.14 -0.27 0.00 0.00 0.00 0.00 46.02 43.70 3ma5 n GLY 129 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3ma5 s THR 130 N -0.10 2.14 0.33 2.61 -1.32 -1.26 -4.85 115.64 113.18 3ma5 s THR 130 Ca 0.00 -1.76 0.11 0.00 -1.21 0.00 0.00 61.69 58.83 3ma5 s THR 130 Cb 0.00 -1.92 0.32 0.00 -1.51 0.00 0.00 72.50 69.39 3ma5 s THR 130 CO 0.00 0.01 1.70 -0.61 -2.21 0.00 0.00 174.62 173.51 3ma5 h GLN 131 N 3.80 0.43 -0.25 7.08 -0.00 -1.98 0.61 115.11 124.80 3ma5 h GLN 131 Ca -0.49 -0.03 0.04 0.00 -0.00 0.00 0.00 58.65 58.18 3ma5 h GLN 131 Cb 1.18 -0.10 -0.04 0.00 0.00 0.00 0.00 27.48 28.52 3ma5 h GLN 131 CO 0.41 0.29 -0.02 -0.22 0.00 0.00 0.00 178.83 179.29 3ma5 h LYS 132 N 0.44 0.05 -0.19 1.69 3.64 -1.99 0.15 116.57 120.37 3ma5 h LYS 132 Ca 0.68 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 60.04 3ma5 h LYS 132 Cb 1.40 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.21 3ma5 h LYS 132 CO -0.54 0.03 0.07 -0.44 -2.27 0.00 0.00 179.45 176.30 3ma5 h ASP 133 N 0.05 0.27 -0.96 4.20 3.45 -0.31 -2.41 116.42 120.71 3ma5 h ASP 133 Ca 0.12 -0.19 0.03 0.00 0.43 0.00 0.00 57.03 57.43 3ma5 h ASP 133 Cb 0.16 -0.07 -0.06 0.00 -0.56 0.00 0.00 39.33 38.80 3ma5 h ASP 133 CO -0.21 0.38 0.62 0.25 -1.57 0.00 0.00 179.24 178.71 3ma5 h LEU 134 N 0.14 1.04 -0.10 1.55 5.85 -0.60 -2.97 115.31 120.22 3ma5 h LEU 134 Ca 0.06 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 3ma5 h LEU 134 Cb 0.21 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 40.99 3ma5 h LEU 134 CO -0.00 0.72 0.02 0.28 -0.34 0.00 0.00 178.44 179.12 3ma5 h SER 135 N 1.21 0.15 -0.46 1.25 0.02 -0.53 -1.94 113.55 113.25 3ma5 h SER 135 Ca 0.38 -0.23 -0.02 0.00 -0.84 0.00 0.00 61.79 61.08 3ma5 h SER 135 Cb -0.00 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.47 3ma5 h SER 135 CO -0.12 0.34 0.22 -0.33 -1.14 0.00 0.00 176.83 175.80 3ma5 h GLU 136 N -0.05 0.70 0.17 3.45 4.39 -1.34 -0.54 114.58 121.36 3ma5 h GLU 136 Ca 0.03 -0.09 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 3ma5 h GLU 136 Cb 0.25 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 3ma5 h GLU 136 CO 0.00 0.56 -0.08 -0.07 -1.16 0.00 0.00 179.01 178.26 3ma5 h LEU 137 N 0.70 -0.19 -0.63 1.33 3.38 -1.52 -0.77 115.31 117.62 3ma5 h LEU 137 Ca 0.17 -0.29 0.10 0.00 0.09 0.00 0.00 57.88 57.95 3ma5 h LEU 137 Cb 0.10 0.05 -0.08 0.00 0.09 0.00 0.00 40.66 40.82 3ma5 h LEU 137 CO -0.02 0.22 0.22 1.56 0.09 0.00 0.00 178.44 180.51 3ma5 h GLN 138 N -0.64 0.38 -0.51 1.13 4.20 -1.10 0.11 115.11 118.69 3ma5 h GLN 138 Ca -0.02 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.64 3ma5 h GLN 138 Cb 0.47 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.14 3ma5 h GLN 138 CO 0.04 0.25 0.21 -0.44 -0.67 0.00 0.00 178.83 178.22 3ma5 h ASP 139 N 0.39 0.69 -0.13 1.46 5.19 -1.07 -2.26 116.42 120.69 3ma5 h ASP 139 Ca 0.32 -0.16 -0.01 0.00 -0.62 0.00 0.00 57.03 56.57 3ma5 h ASP 139 Cb 0.43 -0.18 -0.01 0.00 0.18 0.00 0.00 39.33 39.75 3ma5 h ASP 139 CO -0.34 0.66 0.05 0.00 -3.12 0.00 0.00 179.24 176.50 3ma5 h ALA 140 N 1.06 0.17 0.09 3.45 0.00 -0.17 -2.67 119.26 121.19 3ma5 h ALA 140 Ca 0.17 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.00 3ma5 h ALA 140 Cb 0.18 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3ma5 h ALA 140 CO -0.02 -0.25 -0.17 -0.22 0.00 0.00 0.00 179.25 178.59 3ma5 h LYS 141 N 0.06 -0.31 -0.06 0.00 3.64 -0.75 -1.53 116.57 117.61 3ma5 h LYS 141 Ca 0.04 0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.46 3ma5 h LYS 141 Cb 0.16 0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.04 3ma5 h LYS 141 CO -0.00 -0.21 0.04 -0.07 -2.27 0.00 0.00 179.45 176.94 3ma5 h LEU 142 N -0.32 0.00 0.24 5.20 4.07 -1.39 -1.72 115.31 121.38 3ma5 h LEU 142 Ca 0.02 0.00 -0.33 0.00 0.08 0.00 0.00 57.88 57.65 3ma5 h LEU 142 Cb 0.34 0.00 0.03 0.00 1.08 0.00 0.00 40.66 42.12 3ma5 h LEU 142 CO -0.09 0.00 -1.47 0.50 -1.08 0.00 0.00 178.44 176.30 3ma5 h LYS 143 N 0.00 0.51 -0.50 1.13 3.64 -1.10 -2.39 116.57 117.86 3ma5 h LYS 143 Ca 0.03 -0.87 0.04 0.00 -1.27 0.00 0.00 60.65 58.57 3ma5 h LYS 143 Cb 0.11 0.32 -0.04 0.00 -0.41 0.00 0.00 32.23 32.22 3ma5 h LYS 143 CO -0.00 1.42 0.27 0.00 -2.27 0.00 0.00 179.45 178.87 3ma5 h ALA 144 N 0.21 0.64 -0.81 5.00 0.00 -0.83 -1.65 119.26 121.83 3ma5 h ALA 144 Ca -0.25 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 3ma5 h ALA 144 Cb 2.15 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 19.80 3ma5 h ALA 144 CO 0.27 -0.06 0.48 0.93 0.00 0.00 0.00 179.25 180.87 3ma5 h GLU 145 N 0.54 1.09 -1.87 0.00 5.08 -1.34 -2.66 114.58 115.42 3ma5 h GLU 145 Ca 0.21 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 3ma5 h GLU 145 Cb 0.09 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.11 3ma5 h GLU 145 CO -0.13 0.77 0.00 0.41 -1.00 0.00 0.00 179.01 179.06 3ma5 n GLY 146 N -1.27 2.25 0.53 -3.84 0.00 -0.62 -3.67 105.19 98.57 3ma5 n GLY 146 Ca 0.09 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.00 3ma5 n GLY 146 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ma5 n LEU 147 N 1.40 1.25 0.00 0.99 4.77 -1.00 -5.01 117.00 119.40 3ma5 n LEU 147 Ca 0.00 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 3ma5 n LEU 147 Cb 0.45 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 3ma5 n LEU 147 CO 0.00 0.32 0.04 -1.84 -1.33 0.00 0.00 177.39 174.58