#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 6.46 0.06 -1.84 2.15 -1.26 -4.99 116.67 117.24 3ma5 s ASP 60 Ca 0.00 0.90 -0.26 0.00 0.43 0.00 0.00 52.55 53.62 3ma5 s ASP 60 Cb 0.00 -2.22 -0.17 0.00 -0.30 0.00 0.00 42.92 40.23 3ma5 s ASP 60 CO 0.00 -0.31 1.58 -0.65 -0.17 0.00 0.00 175.17 175.62 3ma5 h PRO 61 N 1.37 -0.23 0.03 4.34 0.11 -2.03 -2.52 132.00 133.08 3ma5 h PRO 61 Ca -0.47 0.02 -0.27 0.00 0.11 0.00 0.00 66.00 65.38 3ma5 h PRO 61 Cb 1.19 0.05 0.02 0.00 0.11 0.00 0.00 31.00 32.38 3ma5 h PRO 61 CO 0.65 -0.06 -1.10 0.35 -0.21 0.00 0.00 178.00 177.63 3ma5 h PHE 62 N -0.36 1.01 -0.54 0.65 3.57 -1.98 -2.39 116.94 116.91 3ma5 h PHE 62 Ca -0.02 -0.57 0.11 0.00 3.53 0.00 0.00 57.97 61.01 3ma5 h PHE 62 Cb 0.28 -0.11 -0.10 0.00 2.79 0.00 0.00 35.95 38.81 3ma5 h PHE 62 CO -0.03 1.41 -0.15 1.15 -2.23 0.00 0.00 178.31 178.47 3ma5 h THR 63 N 0.35 0.44 0.30 4.41 2.02 -1.97 0.14 112.91 118.61 3ma5 h THR 63 Ca -0.14 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.02 3ma5 h THR 63 Cb 1.75 0.44 0.00 0.00 -1.74 0.00 0.00 68.15 68.61 3ma5 h THR 63 CO 0.21 0.00 -0.15 0.03 0.37 0.00 0.00 175.52 175.99 3ma5 h ARG 64 N -0.01 -0.39 -0.44 6.66 3.08 -1.51 -2.96 114.38 118.80 3ma5 h ARG 64 Ca 0.26 0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.37 3ma5 h ARG 64 Cb 0.41 0.09 -0.06 0.00 0.08 0.00 0.00 29.97 30.49 3ma5 h ARG 64 CO -0.56 -0.10 -0.29 -0.92 -1.07 0.00 0.00 179.97 177.03 3ma5 h TYR 65 N -0.68 -0.94 -1.18 3.04 3.20 -0.81 0.37 116.97 119.97 3ma5 h TYR 65 Ca -0.04 0.06 0.34 0.00 3.14 0.00 0.00 58.73 62.23 3ma5 h TYR 65 Cb 0.47 0.47 -0.09 0.00 1.54 0.00 0.00 36.73 39.12 3ma5 h TYR 65 CO 0.01 -0.20 0.79 0.00 -1.64 0.00 0.00 178.16 177.12 3ma5 h ALA 66 N -0.34 2.68 -0.12 1.82 0.00 -0.80 0.16 119.26 122.66 3ma5 h ALA 66 Ca 0.07 0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.83 3ma5 h ALA 66 Cb 0.23 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 3ma5 h ALA 66 CO -0.44 -1.11 -0.70 1.25 0.00 0.00 0.00 179.25 178.25 3ma5 h LEU 67 N 0.19 0.64 -1.46 0.00 7.12 -0.16 -2.17 115.31 119.47 3ma5 h LEU 67 Ca 0.64 -0.40 -0.04 0.00 0.13 0.00 0.00 57.88 58.21 3ma5 h LEU 67 Cb 2.05 -0.19 -0.01 0.00 -0.53 0.00 0.00 40.66 41.98 3ma5 h LEU 67 CO -0.22 1.15 -0.11 0.00 -0.13 0.00 0.00 178.44 179.13 3ma5 h ALA 68 N 0.84 1.56 0.05 1.25 0.00 0.81 -0.46 119.26 123.31 3ma5 h ALA 68 Ca -0.03 -0.18 -0.24 0.00 0.00 0.00 0.00 54.91 54.46 3ma5 h ALA 68 Cb 1.29 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3ma5 h ALA 68 CO 0.13 0.32 -1.04 1.96 0.00 0.00 0.00 179.25 180.62 3ma5 h GLN 69 N 0.21 0.33 -0.36 0.00 4.20 -1.28 -2.17 115.11 116.05 3ma5 h GLN 69 Ca 0.04 -0.43 -0.15 0.00 0.06 0.00 0.00 58.65 58.18 3ma5 h GLN 69 Cb 0.33 0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.24 3ma5 h GLN 69 CO 0.02 1.13 -0.36 0.93 -0.67 0.00 0.00 178.83 179.87 3ma5 h GLU 70 N 0.16 0.84 -0.57 1.46 4.39 -0.97 -0.67 114.58 119.22 3ma5 h GLU 70 Ca -0.10 -0.42 -0.00 0.00 0.34 0.00 0.00 59.36 59.18 3ma5 h GLU 70 Cb 1.71 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 30.34 3ma5 h GLU 70 CO 0.17 1.06 0.35 0.45 -1.16 0.00 0.00 179.01 179.89 3ma5 h HIS 71 N 0.69 0.74 -0.16 4.33 3.86 -1.08 -0.35 115.15 123.20 3ma5 h HIS 71 Ca 0.06 0.00 0.03 0.00 -1.16 0.00 0.00 60.37 59.31 3ma5 h HIS 71 Cb 0.93 -0.25 -0.03 0.00 1.06 0.00 0.00 27.41 29.12 3ma5 h HIS 71 CO 0.05 0.51 -0.05 -0.07 0.86 0.00 0.00 177.93 179.23 3ma5 h LEU 72 N 0.77 -0.18 -1.19 2.43 3.38 -1.07 0.76 115.31 120.20 3ma5 h LEU 72 Ca 0.20 0.05 0.07 0.00 0.09 0.00 0.00 57.88 58.29 3ma5 h LEU 72 Cb -0.03 0.11 -0.06 0.00 0.09 0.00 0.00 40.66 40.78 3ma5 h LEU 72 CO -0.04 -0.07 0.57 0.11 0.09 0.00 0.00 178.44 179.10 3ma5 h LYS 73 N -0.02 0.94 -0.37 1.13 1.57 -0.85 -1.58 116.57 117.39 3ma5 h LYS 73 Ca 0.08 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3ma5 h LYS 73 Cb 0.14 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.24 3ma5 h LYS 73 CO -0.17 0.62 0.00 0.72 -0.57 0.00 0.00 179.45 180.05 3ma5 n HIS 74 N -4.49 0.31 -1.04 -1.35 8.25 -0.17 -4.91 115.22 111.83 3ma5 n HIS 74 Ca 0.13 -0.13 -0.01 0.00 -0.26 0.00 0.00 57.72 57.44 3ma5 n HIS 74 Cb 0.21 -0.05 -0.01 0.00 1.12 0.00 0.00 29.99 31.26 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 0.06 -3.78 -4.17 0.41 10.43 -0.56 -4.97 116.55 113.97 3ma5 n ASP 75 Ca 0.06 0.03 -0.44 0.00 2.57 0.00 0.00 54.79 57.02 3ma5 n ASP 75 Cb 0.24 -1.39 0.00 0.00 1.84 0.00 0.00 41.12 41.81 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 0.05 5.50 -0.11 -2.24 5.03 0.09 -4.83 115.26 118.75 3ma5 n ASN 76 Ca -0.01 -3.12 -0.11 0.00 0.87 0.00 0.00 54.58 52.21 3ma5 n ASN 76 Cb 0.15 -1.44 -0.03 0.00 -1.02 0.00 0.00 39.78 37.44 3ma5 n ASN 76 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3ma5 h ALA 77 N 6.28 0.45 -0.71 5.41 0.00 -1.88 -2.18 119.26 126.62 3ma5 h ALA 77 Ca 0.29 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 3ma5 h ALA 77 Cb 0.75 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 3ma5 h ALA 77 CO 1.32 0.20 0.25 0.77 0.00 0.00 0.00 179.25 181.80 3ma5 h SER 78 N 0.39 1.02 0.93 0.00 0.02 -1.98 -0.43 113.55 113.50 3ma5 h SER 78 Ca 0.09 -0.19 -0.04 0.00 -0.84 0.00 0.00 61.79 60.80 3ma5 h SER 78 Cb 0.45 -0.27 0.01 0.00 0.14 0.00 0.00 62.40 62.73 3ma5 h SER 78 CO 0.02 0.94 -0.47 -0.09 -1.14 0.00 0.00 176.83 176.09 3ma5 h ARG 79 N 1.04 -1.23 -1.02 3.45 9.65 -1.95 -1.48 114.38 122.83 3ma5 h ARG 79 Ca 0.23 0.08 0.26 0.00 -1.10 0.00 0.00 59.98 59.45 3ma5 h ARG 79 Cb 0.27 0.28 -0.09 0.00 -1.39 0.00 0.00 29.97 29.04 3ma5 h ARG 79 CO -0.01 -0.82 0.66 0.00 2.80 0.00 0.00 179.97 182.60 3ma5 h ALA 80 N -1.22 2.22 -0.43 2.80 0.00 -1.21 0.49 119.26 121.91 3ma5 h ALA 80 Ca -0.13 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 3ma5 h ALA 80 Cb 0.99 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 3ma5 h ALA 80 CO 0.20 -0.61 0.25 1.25 0.00 0.00 0.00 179.25 180.34 3ma5 h LEU 81 N 0.40 0.53 -0.37 0.00 5.85 -0.48 -0.14 115.31 121.10 3ma5 h LEU 81 Ca 0.58 -0.07 0.01 0.00 0.84 0.00 0.00 57.88 59.24 3ma5 h LEU 81 Cb 1.45 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 42.33 3ma5 h LEU 81 CO -0.28 0.44 0.22 0.00 -0.34 0.00 0.00 178.44 178.48 3ma5 h ALA 82 N 1.11 0.46 -0.13 1.25 0.00 0.95 0.55 119.26 123.45 3ma5 h ALA 82 Ca 0.15 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 3ma5 h ALA 82 Cb 0.02 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3ma5 h ALA 82 CO -0.03 -0.12 -0.20 -0.07 0.00 0.00 0.00 179.25 178.83 3ma5 h LEU 83 N 0.45 0.21 0.12 0.00 4.07 -0.87 -2.46 115.31 116.83 3ma5 h LEU 83 Ca 0.14 -0.05 -0.01 0.00 0.08 0.00 0.00 57.88 58.04 3ma5 h LEU 83 Cb -0.01 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 41.67 3ma5 h LEU 83 CO -0.06 0.43 -0.06 -0.26 -1.08 0.00 0.00 178.44 177.41 3ma5 h PHE 84 N 0.20 -0.15 -1.19 1.13 0.04 -0.63 -2.92 116.94 113.42 3ma5 h PHE 84 Ca 0.04 -0.00 0.34 0.00 2.80 0.00 0.00 57.97 61.15 3ma5 h PHE 84 Cb 0.48 0.05 -0.05 0.00 2.20 0.00 0.00 35.95 38.63 3ma5 h PHE 84 CO 0.01 0.08 0.86 0.93 -0.60 0.00 0.00 178.31 179.58 3ma5 h GLU 85 N -1.01 0.00 0.08 1.51 5.08 -0.94 -0.87 114.58 118.42 3ma5 h GLU 85 Ca -0.02 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3ma5 h GLU 85 Cb 0.30 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.55 3ma5 h GLU 85 CO 0.03 0.00 -0.04 1.49 -1.00 0.00 0.00 179.01 179.49 3ma5 h GLU 86 N 0.00 -0.10 -1.81 2.33 4.81 -1.51 -2.97 114.58 115.34 3ma5 h GLU 86 Ca 0.57 0.01 0.54 0.00 -0.13 0.00 0.00 59.36 60.35 3ma5 h GLU 86 Cb 2.27 0.02 -0.09 0.00 0.63 0.00 0.00 28.75 31.58 3ma5 h GLU 86 CO -0.01 -0.07 1.28 1.28 -0.73 0.00 0.00 179.01 180.76 3ma5 n LEU 87 N -2.44 0.05 0.11 1.64 4.77 -0.41 0.32 117.00 121.04 3ma5 n LEU 87 Ca -0.01 1.07 -0.03 0.00 -0.03 0.00 0.00 56.01 57.00 3ma5 n LEU 87 Cb 0.04 -0.53 0.14 0.00 -2.33 0.00 0.00 43.42 40.74 3ma5 n LEU 87 CO 0.03 -1.10 0.47 0.58 -1.33 0.00 0.00 177.39 176.05 3ma5 h VAL 88 N 0.00 1.43 -0.02 4.08 2.07 -1.35 0.31 116.25 122.78 3ma5 h VAL 88 Ca 0.91 -2.10 0.00 0.00 0.82 0.00 0.00 66.70 66.33 3ma5 h VAL 88 Cb 3.51 2.11 0.00 0.00 -1.52 0.00 0.00 31.29 35.39 3ma5 h VAL 88 CO -0.12 0.61 -0.34 -1.84 0.02 0.00 0.00 177.57 175.90 3ma5 n GLU 89 N -3.82 1.28 0.00 1.57 0.28 0.95 -3.50 120.64 117.39 3ma5 n GLU 89 Ca -0.02 -0.99 0.00 0.00 -0.16 0.00 0.00 57.16 56.00 3ma5 n GLU 89 Cb 0.63 -1.48 0.00 0.00 1.43 0.00 0.00 31.44 32.02 3ma5 n GLU 89 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 3ma5 n THR 90 N 0.00 0.00 -3.28 3.84 -2.24 -0.33 -4.84 114.28 107.44 3ma5 n THR 90 Ca 0.11 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.64 3ma5 n THR 90 Cb 0.45 -0.72 -0.07 0.00 -2.10 0.00 0.00 70.33 67.88 3ma5 n THR 90 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3ma5 n ASP 91 N -2.13 2.05 0.24 3.42 10.43 0.11 -4.92 116.55 125.75 3ma5 n ASP 91 Ca 0.00 -3.10 0.16 0.00 2.57 0.00 0.00 54.79 54.42 3ma5 n ASP 91 Cb 0.46 -0.65 0.83 0.00 1.84 0.00 0.00 41.12 43.61 3ma5 n ASP 91 CO 0.00 0.00 0.00 1.55 -1.07 0.00 0.00 177.20 177.68 3ma5 h PRO 92 N 3.97 0.00 -0.00 -0.24 0.13 -1.58 -2.13 132.00 132.15 3ma5 h PRO 92 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 3ma5 h PRO 92 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 3ma5 h PRO 92 CO 0.65 0.00 -0.18 -0.25 -0.23 0.00 0.00 178.00 177.99 3ma5 n ASP 93 N -2.64 0.65 -4.65 1.44 8.00 -1.26 -4.76 116.55 113.33 3ma5 n ASP 93 Ca -0.02 -0.62 -0.43 0.00 0.71 0.00 0.00 54.79 54.44 3ma5 n ASP 93 Cb 0.09 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.17 3ma5 n ASP 93 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 3ma5 s TYR 94 N -2.54 3.29 0.10 1.24 5.04 -0.80 -4.95 117.35 118.74 3ma5 s TYR 94 Ca 0.26 1.31 0.00 0.00 -2.44 0.00 0.00 57.07 56.20 3ma5 s TYR 94 Cb 0.20 -3.31 -0.22 0.00 0.35 0.00 0.00 41.96 38.98 3ma5 s TYR 94 CO 0.51 -0.53 1.22 0.28 -1.34 0.00 0.00 175.55 175.69 3ma5 h VAL 95 N 5.51 1.57 -0.97 3.14 2.07 -1.88 -3.35 116.25 122.33 3ma5 h VAL 95 Ca -0.20 -3.11 0.16 0.00 0.82 0.00 0.00 66.70 64.37 3ma5 h VAL 95 Cb 1.07 2.84 -0.09 0.00 -1.52 0.00 0.00 31.29 33.59 3ma5 h VAL 95 CO 0.96 0.90 0.61 1.23 0.02 0.00 0.00 177.57 181.30 3ma5 h GLY 96 N 2.08 1.51 -0.02 2.17 0.00 -1.99 -3.15 103.07 103.67 3ma5 h GLY 96 Ca -0.08 -0.34 0.09 0.00 0.00 0.00 0.00 47.33 47.00 3ma5 h GLY 96 CO 0.17 0.04 -0.17 -0.84 0.00 0.00 0.00 176.54 175.74 3ma5 h THR 97 N 0.77 0.44 -0.81 4.70 2.02 -1.98 -3.23 112.91 114.82 3ma5 h THR 97 Ca 0.52 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.78 3ma5 h THR 97 Cb 0.78 0.44 -0.06 0.00 -1.74 0.00 0.00 68.15 67.58 3ma5 h THR 97 CO -0.28 0.00 0.53 1.88 0.37 0.00 0.00 175.52 178.02 3ma5 h TYR 98 N -0.07 0.84 0.59 3.16 -1.99 -1.79 -1.23 116.97 116.49 3ma5 h TYR 98 Ca 0.22 0.02 -0.03 0.00 2.00 0.00 0.00 58.73 60.94 3ma5 h TYR 98 Cb 0.41 -0.27 0.01 0.00 2.00 0.00 0.00 36.73 38.87 3ma5 h TYR 98 CO -0.44 0.41 -0.28 -0.92 -0.00 0.00 0.00 178.16 176.92 3ma5 h TYR 99 N 0.80 -0.74 -0.78 4.88 5.03 -1.76 -2.00 116.97 122.41 3ma5 h TYR 99 Ca 0.37 -0.02 0.05 0.00 2.58 0.00 0.00 58.73 61.71 3ma5 h TYR 99 Cb 0.38 0.24 -0.05 0.00 1.55 0.00 0.00 36.73 38.85 3ma5 h TYR 99 CO -0.00 -0.40 0.48 0.45 -1.32 0.00 0.00 178.16 177.36 3ma5 h HIS 100 N -1.03 0.88 -0.25 -3.82 3.86 -1.67 -0.46 115.15 112.66 3ma5 h HIS 100 Ca -0.08 0.03 0.01 0.00 -1.16 0.00 0.00 60.37 59.17 3ma5 h HIS 100 Cb 0.67 -0.28 -0.02 0.00 1.06 0.00 0.00 27.41 28.83 3ma5 h HIS 100 CO 0.00 0.46 0.13 1.25 0.86 0.00 0.00 177.93 180.64 3ma5 h LEU 101 N 0.89 0.21 -0.21 2.43 5.85 -1.26 0.46 115.31 123.67 3ma5 h LEU 101 Ca 0.33 0.01 0.03 0.00 0.84 0.00 0.00 57.88 59.09 3ma5 h LEU 101 Cb 0.12 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 3ma5 h LEU 101 CO -0.15 0.16 0.04 1.23 -0.34 0.00 0.00 178.44 179.37 3ma5 h GLY 102 N 0.28 0.23 0.76 3.75 0.00 -0.55 0.59 103.07 108.14 3ma5 h GLY 102 Ca 0.10 -0.01 0.02 0.00 0.00 0.00 0.00 47.33 47.44 3ma5 h GLY 102 CO -0.06 -0.01 -0.09 0.50 0.00 0.00 0.00 176.54 176.88 3ma5 h LYS 103 N 0.12 -0.15 -0.47 4.80 1.79 -0.84 0.03 116.57 121.84 3ma5 h LYS 103 Ca 0.10 0.01 0.05 0.00 -2.18 0.00 0.00 60.65 58.63 3ma5 h LYS 103 Cb 0.10 0.03 -0.05 0.00 -1.58 0.00 0.00 32.23 30.73 3ma5 h LYS 103 CO -0.13 -0.10 0.20 1.25 -1.08 0.00 0.00 179.45 179.58 3ma5 h LEU 104 N -0.16 0.24 -1.07 2.94 5.85 -0.50 -0.30 115.31 122.32 3ma5 h LEU 104 Ca 0.04 0.04 0.11 0.00 0.84 0.00 0.00 57.88 58.91 3ma5 h LEU 104 Cb 0.20 0.01 -0.08 0.00 0.37 0.00 0.00 40.66 41.17 3ma5 h LEU 104 CO -0.10 0.17 0.62 1.88 -0.34 0.00 0.00 178.44 180.68 3ma5 h TYR 105 N 0.39 1.10 -0.47 1.25 0.05 0.74 -0.82 116.97 119.21 3ma5 h TYR 105 Ca 0.22 0.03 -0.08 0.00 0.05 0.00 0.00 58.73 58.95 3ma5 h TYR 105 Cb 0.19 -0.35 -0.02 0.00 1.01 0.00 0.00 36.73 37.56 3ma5 h TYR 105 CO -0.14 0.47 -0.01 0.93 -1.05 0.00 0.00 178.16 178.36 3ma5 h GLU 106 N 0.99 0.83 -0.33 4.88 5.08 0.59 0.29 114.58 126.91 3ma5 h GLU 106 Ca 0.47 -0.27 -0.06 0.00 -1.00 0.00 0.00 59.36 58.49 3ma5 h GLU 106 Cb 0.43 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 3ma5 h GLU 106 CO -0.23 0.89 -0.06 0.00 -1.00 0.00 0.00 179.01 178.61 3ma5 h ARG 107 N 0.68 0.53 -0.92 2.33 3.08 -0.27 -2.06 114.38 117.75 3ma5 h ARG 107 Ca 0.13 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 3ma5 h ARG 107 Cb 0.52 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.50 3ma5 h ARG 107 CO 0.03 0.60 0.02 1.28 -1.07 0.00 0.00 179.97 180.82 3ma5 n LEU 108 N -4.24 2.20 -2.23 3.04 4.77 -0.40 -4.85 117.00 115.30 3ma5 n LEU 108 Ca 0.01 -1.12 -0.19 0.00 -0.03 0.00 0.00 56.01 54.68 3ma5 n LEU 108 Cb 0.29 -0.54 -0.01 0.00 -2.33 0.00 0.00 43.42 40.82 3ma5 n LEU 108 CO 0.40 0.36 -0.25 0.47 -1.33 0.00 0.00 177.39 177.04 3ma5 n ASP 109 N 0.14 -5.60 -2.82 -1.43 9.92 -0.77 -4.92 116.55 111.06 3ma5 n ASP 109 Ca 0.07 -0.02 -0.32 0.00 -0.53 0.00 0.00 54.79 53.99 3ma5 n ASP 109 Cb 0.48 -4.64 0.01 0.00 -0.64 0.00 0.00 41.12 36.33 3ma5 n ASP 109 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 3ma5 n ARG 110 N -2.88 3.46 -0.35 -1.24 5.12 0.99 -4.87 116.66 116.88 3ma5 n ARG 110 Ca -0.23 -4.33 0.09 0.00 -1.93 0.00 0.00 57.85 51.44 3ma5 n ARG 110 Cb 0.68 -2.28 0.27 0.00 -1.16 0.00 0.00 32.46 29.97 3ma5 n ARG 110 CO 0.00 0.00 0.00 1.15 -1.93 0.00 0.00 177.63 176.85 3ma5 h THR 111 N 2.46 0.86 0.65 0.55 2.02 -1.85 0.17 112.91 117.78 3ma5 h THR 111 Ca 0.37 -0.31 -0.03 0.00 0.77 0.00 0.00 66.41 67.21 3ma5 h THR 111 Cb 0.53 -0.13 -0.00 0.00 -1.74 0.00 0.00 68.15 66.81 3ma5 h THR 111 CO 1.04 0.17 -0.36 0.44 0.37 0.00 0.00 175.52 177.18 3ma5 h ASP 112 N 0.92 -0.89 -0.65 4.18 5.19 -1.94 0.14 116.42 123.37 3ma5 h ASP 112 Ca 0.51 0.04 0.13 0.00 -0.62 0.00 0.00 57.03 57.10 3ma5 h ASP 112 Cb 0.60 0.25 -0.04 0.00 0.18 0.00 0.00 39.33 40.33 3ma5 h ASP 112 CO -0.28 -0.58 0.44 0.44 -3.12 0.00 0.00 179.24 176.13 3ma5 h ASP 113 N -0.94 0.30 0.12 6.45 3.45 -1.83 0.84 116.42 124.81 3ma5 h ASP 113 Ca -0.08 0.01 -0.01 0.00 0.43 0.00 0.00 57.03 57.38 3ma5 h ASP 113 Cb 0.75 -0.05 0.00 0.00 -0.56 0.00 0.00 39.33 39.47 3ma5 h ASP 113 CO 0.11 0.16 -0.06 0.00 -1.57 0.00 0.00 179.24 177.88 3ma5 h ALA 114 N 1.68 -0.16 -0.81 3.45 0.00 -0.24 -1.05 119.26 122.14 3ma5 h ALA 114 Ca 0.31 -0.19 0.08 0.00 0.00 0.00 0.00 54.91 55.11 3ma5 h ALA 114 Cb 0.77 0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.56 3ma5 h ALA 114 CO -0.08 -0.40 0.47 0.82 0.00 0.00 0.00 179.25 180.06 3ma5 h ILE 115 N -0.53 0.97 0.08 0.00 2.04 0.31 -1.32 117.51 119.06 3ma5 h ILE 115 Ca -0.02 -0.29 0.01 0.00 1.00 0.00 0.00 64.86 65.57 3ma5 h ILE 115 Cb 0.43 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.55 3ma5 h ILE 115 CO 0.03 0.15 -0.11 0.44 0.00 0.00 0.00 178.15 178.66 3ma5 h ASP 116 N 0.83 -0.30 -0.89 1.72 5.19 -0.79 -2.22 116.42 119.96 3ma5 h ASP 116 Ca 0.37 0.03 0.10 0.00 -0.62 0.00 0.00 57.03 56.92 3ma5 h ASP 116 Cb 0.26 0.11 -0.07 0.00 0.18 0.00 0.00 39.33 39.82 3ma5 h ASP 116 CO -0.21 -0.17 0.57 0.74 -3.12 0.00 0.00 179.24 177.06 3ma5 h THR 117 N -0.23 0.95 -0.36 0.35 2.02 -0.50 -0.98 112.91 114.16 3ma5 h THR 117 Ca 0.01 -0.30 -0.13 0.00 0.77 0.00 0.00 66.41 66.76 3ma5 h THR 117 Cb 0.24 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 66.65 3ma5 h THR 117 CO -0.05 0.16 -0.31 1.88 0.37 0.00 0.00 175.52 177.57 3ma5 h TYR 118 N 0.86 0.92 0.30 3.16 0.05 -0.96 0.52 116.97 121.82 3ma5 h TYR 118 Ca 0.42 -0.24 -0.01 0.00 0.05 0.00 0.00 58.73 58.94 3ma5 h TYR 118 Cb 0.44 -0.21 0.00 0.00 1.01 0.00 0.00 36.73 37.98 3ma5 h TYR 118 CO -0.00 1.00 -0.14 0.00 -1.05 0.00 0.00 178.16 177.96 3ma5 h ALA 119 N 0.98 -0.40 -0.35 3.88 0.00 -0.65 1.02 119.26 123.75 3ma5 h ALA 119 Ca 0.07 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.88 3ma5 h ALA 119 Cb 0.85 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 3ma5 h ALA 119 CO 0.07 -0.67 0.23 0.37 0.00 0.00 0.00 179.25 179.25 3ma5 h GLN 120 N -0.50 0.40 0.10 0.00 -0.00 -1.15 0.07 115.11 114.04 3ma5 h GLN 120 Ca -0.04 -0.02 -0.00 0.00 -0.00 0.00 0.00 58.65 58.58 3ma5 h GLN 120 Cb 0.37 -0.09 0.00 0.00 0.00 0.00 0.00 27.48 27.76 3ma5 h GLN 120 CO 0.07 0.27 -0.05 0.78 0.00 0.00 0.00 178.83 179.89 3ma5 h GLY 121 N 0.41 -0.14 0.05 2.39 0.00 -0.32 -2.54 103.07 102.91 3ma5 h GLY 121 Ca 0.13 0.05 0.26 0.00 0.00 0.00 0.00 47.33 47.77 3ma5 h GLY 121 CO -0.03 -0.05 0.67 -2.22 0.00 0.00 0.00 176.54 174.91 3ma5 h ILE 122 N -0.73 0.56 0.00 2.60 2.04 0.16 0.12 117.51 122.26 3ma5 h ILE 122 Ca -0.01 -0.09 -0.04 0.00 1.00 0.00 0.00 64.86 65.72 3ma5 h ILE 122 Cb 0.55 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 36.93 3ma5 h ILE 122 CO 0.02 0.05 -0.15 -0.33 0.00 0.00 0.00 178.15 177.74 3ma5 h GLU 123 N 0.25 0.10 0.00 2.37 5.08 -0.92 -2.76 114.58 118.69 3ma5 h GLU 123 Ca 0.51 -0.11 -0.04 0.00 -1.00 0.00 0.00 59.36 58.72 3ma5 h GLU 123 Cb 1.56 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.83 3ma5 h GLU 123 CO -0.15 0.88 -0.20 -0.39 -1.00 0.00 0.00 179.01 178.14 3ma5 h VAL 124 N -0.63 0.81 0.43 3.13 -1.51 -0.96 -3.10 116.25 114.42 3ma5 h VAL 124 Ca -0.02 -0.80 -0.02 0.00 -1.23 0.00 0.00 66.70 64.63 3ma5 h VAL 124 Cb 0.93 1.48 0.00 0.00 -2.13 0.00 0.00 31.29 31.57 3ma5 h VAL 124 CO 0.03 0.20 -0.22 0.00 -1.23 0.00 0.00 177.57 176.35 3ma5 h ALA 125 N 1.80 -0.60 0.00 5.19 0.00 -0.72 0.20 119.26 125.12 3ma5 h ALA 125 Ca -0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3ma5 h ALA 125 Cb 0.46 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3ma5 h ALA 125 CO 0.03 -0.84 0.00 2.89 0.00 0.00 0.00 179.25 181.32 3ma5 n ARG 126 N -5.36 0.45 0.03 0.00 1.85 -1.05 0.45 116.66 113.04 3ma5 n ARG 126 Ca -0.11 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.74 3ma5 n ARG 126 Cb 0.26 -1.10 0.00 0.00 -1.05 0.00 0.00 32.46 30.58 3ma5 n ARG 126 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 3ma5 n GLU 127 N -0.17 0.00 -0.02 2.89 -0.58 -0.95 -4.91 120.64 116.91 3ma5 n GLU 127 Ca 0.00 0.00 -0.03 0.00 -0.42 0.00 0.00 57.16 56.71 3ma5 n GLU 127 Cb 0.05 -0.15 -0.12 0.00 -0.57 0.00 0.00 31.44 30.65 3ma5 n GLU 127 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 3ma5 n GLU 128 N -2.90 0.65 0.00 3.49 -0.58 0.65 -4.94 120.64 117.01 3ma5 n GLU 128 Ca 0.00 0.12 0.00 0.00 -0.42 0.00 0.00 57.16 56.86 3ma5 n GLU 128 Cb 0.00 -1.69 0.00 0.00 -0.57 0.00 0.00 31.44 29.18 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 1.50 -0.29 3.46 0.62 0.00 0.17 -4.98 105.19 105.68 3ma5 n GLY 129 Ca -0.16 -1.33 -0.10 0.00 0.00 0.00 0.00 46.02 44.42 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 0.00 0.03 0.29 2.61 -1.32 -1.23 -4.89 115.64 111.13 3ma5 s THR 130 Ca 0.00 -0.62 0.02 0.00 -1.21 0.00 0.00 61.69 59.88 3ma5 s THR 130 Cb 0.00 -1.40 0.34 0.00 -1.51 0.00 0.00 72.50 69.93 3ma5 s THR 130 CO 0.00 -0.14 1.62 -0.61 -2.21 0.00 0.00 174.62 173.27 3ma5 h GLN 131 N 2.20 0.11 -0.30 7.08 -0.00 -1.99 0.44 115.11 122.65 3ma5 h GLN 131 Ca -0.31 -0.01 0.06 0.00 -0.00 0.00 0.00 58.65 58.40 3ma5 h GLN 131 Cb 1.27 -0.02 -0.06 0.00 0.00 0.00 0.00 27.48 28.66 3ma5 h GLN 131 CO 0.39 0.07 -0.11 -0.22 0.00 0.00 0.00 178.83 178.96 3ma5 h LYS 132 N 0.11 -0.05 -0.86 1.69 3.11 -2.00 -1.35 116.57 117.21 3ma5 h LYS 132 Ca 0.56 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.41 3ma5 h LYS 132 Cb 1.16 0.01 -0.04 0.00 -1.00 0.00 0.00 32.23 32.36 3ma5 h LYS 132 CO -0.75 -0.04 0.55 -0.44 -2.81 0.00 0.00 179.45 175.96 3ma5 h ASP 133 N -0.06 1.01 -0.48 4.20 3.45 -1.33 -2.58 116.42 120.62 3ma5 h ASP 133 Ca 0.15 -0.04 -0.05 0.00 0.43 0.00 0.00 57.03 57.52 3ma5 h ASP 133 Cb 0.29 -0.25 -0.02 0.00 -0.56 0.00 0.00 39.33 38.78 3ma5 h ASP 133 CO -0.35 0.75 0.14 0.25 -1.57 0.00 0.00 179.24 178.46 3ma5 h LEU 134 N 1.17 0.75 0.82 1.55 5.85 -0.83 -2.17 115.31 122.46 3ma5 h LEU 134 Ca 0.31 -0.13 -0.04 0.00 0.84 0.00 0.00 57.88 58.87 3ma5 h LEU 134 Cb -0.10 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 40.73 3ma5 h LEU 134 CO -0.06 0.74 -0.46 0.28 -0.34 0.00 0.00 178.44 178.59 3ma5 h SER 135 N 0.79 -1.15 -0.40 1.25 0.02 -0.86 0.26 113.55 113.46 3ma5 h SER 135 Ca 0.18 0.06 0.02 0.00 -0.84 0.00 0.00 61.79 61.20 3ma5 h SER 135 Cb 0.27 0.32 -0.02 0.00 0.14 0.00 0.00 62.40 63.11 3ma5 h SER 135 CO -0.00 -0.74 0.27 -0.33 -1.14 0.00 0.00 176.83 174.89 3ma5 h GLU 136 N -1.19 0.47 -0.07 3.45 4.39 -1.46 -1.24 114.58 118.92 3ma5 h GLU 136 Ca -0.11 -0.03 -0.19 0.00 0.34 0.00 0.00 59.36 59.37 3ma5 h GLU 136 Cb 0.94 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 29.48 3ma5 h GLU 136 CO 0.14 0.31 -0.74 -0.07 -1.16 0.00 0.00 179.01 177.49 3ma5 h LEU 137 N 0.48 0.49 -0.01 1.33 3.38 -1.31 -2.33 115.31 117.34 3ma5 h LEU 137 Ca 0.16 -0.32 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 3ma5 h LEU 137 Cb 0.04 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 3ma5 h LEU 137 CO -0.04 1.07 -0.00 1.56 0.09 0.00 0.00 178.44 181.12 3ma5 h GLN 138 N 0.28 0.01 -0.81 1.13 4.20 -0.24 -2.45 115.11 117.23 3ma5 h GLN 138 Ca -0.03 -0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.72 3ma5 h GLN 138 Cb 1.32 -0.00 -0.05 0.00 0.30 0.00 0.00 27.48 29.04 3ma5 h GLN 138 CO 0.13 0.39 0.50 -0.44 -0.67 0.00 0.00 178.83 178.74 3ma5 h ASP 139 N -0.37 0.81 -0.53 1.46 5.19 -1.29 -1.92 116.42 119.76 3ma5 h ASP 139 Ca 0.00 0.01 0.01 0.00 -0.62 0.00 0.00 57.03 56.42 3ma5 h ASP 139 Cb 0.39 -0.16 -0.03 0.00 0.18 0.00 0.00 39.33 39.71 3ma5 h ASP 139 CO 0.00 0.54 0.35 0.00 -3.12 0.00 0.00 179.24 177.01 3ma5 h ALA 140 N 1.36 0.67 -0.15 3.45 0.00 -1.39 -0.78 119.26 122.42 3ma5 h ALA 140 Ca 0.34 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 3ma5 h ALA 140 Cb 0.09 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3ma5 h ALA 140 CO -0.14 0.11 0.04 -0.22 0.00 0.00 0.00 179.25 179.04 3ma5 h LYS 141 N 0.72 0.24 -0.82 0.00 3.64 -0.98 -1.09 116.57 118.28 3ma5 h LYS 141 Ca 0.20 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.50 3ma5 h LYS 141 Cb -0.08 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 31.67 3ma5 h LYS 141 CO -0.04 0.38 0.42 -0.07 -2.27 0.00 0.00 179.45 177.87 3ma5 h LEU 142 N 0.06 1.05 -0.56 5.20 4.07 -1.16 0.23 115.31 124.20 3ma5 h LEU 142 Ca 0.05 -0.12 -0.14 0.00 0.08 0.00 0.00 57.88 57.75 3ma5 h LEU 142 Cb 0.25 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 41.71 3ma5 h LEU 142 CO -0.00 0.87 -0.34 0.50 -1.08 0.00 0.00 178.44 178.39 3ma5 h LYS 143 N 1.16 0.78 0.04 1.13 3.11 -1.11 0.65 116.57 122.32 3ma5 h LYS 143 Ca 0.29 -0.38 0.02 0.00 -2.81 0.00 0.00 60.65 57.76 3ma5 h LYS 143 Cb 0.08 -0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.28 3ma5 h LYS 143 CO -0.04 1.00 -0.13 0.00 -2.81 0.00 0.00 179.45 177.47 3ma5 h ALA 144 N 0.96 -0.18 -0.02 5.00 0.00 -0.52 0.15 119.26 124.65 3ma5 h ALA 144 Ca 0.07 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 3ma5 h ALA 144 Cb 0.89 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 3ma5 h ALA 144 CO 0.08 -0.63 -0.50 0.93 0.00 0.00 0.00 179.25 179.13 3ma5 h GLU 145 N -0.24 0.05 0.00 0.00 5.08 -0.46 -2.74 114.58 116.28 3ma5 h GLU 145 Ca 0.03 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3ma5 h GLU 145 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 3ma5 h GLU 145 CO -0.10 0.54 0.00 0.78 -1.00 0.00 0.00 179.01 179.23 3ma5 h GLY 146 N 1.47 0.00 0.41 -3.84 0.00 0.14 -3.26 103.07 97.98 3ma5 h GLY 146 Ca -0.00 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.35 3ma5 h GLY 146 CO 0.07 0.00 -0.34 1.41 0.00 0.00 0.00 176.54 177.68 3ma5 h LEU 147 N 0.00 -0.99 0.00 3.11 3.38 -0.42 -3.49 115.31 116.90 3ma5 h LEU 147 Ca 0.00 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3ma5 h LEU 147 Cb 0.47 0.37 0.00 0.00 0.09 0.00 0.00 40.66 41.59 3ma5 h LEU 147 CO 0.00 -0.43 0.00 -1.84 0.09 0.00 0.00 178.44 176.26