#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ch0 h ASP 3 N 7.60 -0.39 -3.45 0.00 5.19 -1.87 -3.40 116.42 120.10 1ch0 h ASP 3 Ca -0.37 0.11 -0.41 0.00 -0.62 0.00 0.00 57.03 55.73 1ch0 h ASP 3 Cb 1.17 0.23 -0.34 0.00 0.18 0.00 0.00 39.33 40.58 1ch0 h ASP 3 CO 0.63 -0.14 -0.77 -0.31 -3.12 0.00 0.00 179.24 175.53 1ch0 s TYR 4 N -6.19 0.77 -0.25 4.55 2.02 0.12 -4.99 117.35 113.38 1ch0 s TYR 4 Ca -0.14 -0.22 0.02 0.00 -0.37 0.00 0.00 57.07 56.37 1ch0 s TYR 4 Cb 0.13 -0.68 0.05 0.00 -0.40 0.00 0.00 41.96 41.06 1ch0 s TYR 4 CO 0.70 -0.20 -0.12 0.99 -1.57 0.00 0.00 175.55 175.35 1ch0 s THR 5 N 0.95 2.24 -0.45 -0.71 2.01 -1.26 -0.32 115.64 118.10 1ch0 s THR 5 Ca -0.10 -1.47 -0.11 0.00 0.31 0.00 0.00 61.69 60.32 1ch0 s THR 5 Cb -0.14 -2.24 0.09 0.00 0.01 0.00 0.00 72.50 70.21 1ch0 s THR 5 CO -0.00 0.08 0.32 0.00 -0.69 0.00 0.00 174.62 174.33 1ch0 n GLY 7 N 5.00 1.01 0.00 0.00 0.00 -1.26 -0.93 105.19 109.01 1ch0 n GLY 7 Ca -0.11 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.29 1ch0 n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ch0 n SER 8 N 6.48 0.49 -4.72 1.61 7.64 -1.26 -5.03 113.62 118.84 1ch0 n SER 8 Ca 0.00 -0.77 -0.41 0.00 1.01 0.00 0.00 58.87 58.69 1ch0 n SER 8 Cb 0.00 0.29 -0.04 0.00 -1.01 0.00 0.00 64.21 63.46 1ch0 n SER 8 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1ch0 s ASN 9 N -0.29 7.34 -0.43 6.43 0.01 -0.11 -5.02 114.94 122.87 1ch0 s ASN 9 Ca 0.00 1.61 -0.13 0.00 -0.71 0.00 0.00 52.86 53.64 1ch0 s ASN 9 Cb 0.00 -2.55 0.06 0.00 0.41 0.00 0.00 41.25 39.17 1ch0 s ASN 9 CO 0.00 -0.19 0.31 0.00 -1.51 0.00 0.00 177.10 175.71 1ch0 s TYR 11 N 1.57 2.98 0.03 0.00 2.02 0.56 -5.01 117.35 119.51 1ch0 s TYR 11 Ca 0.03 -0.19 0.03 0.00 -0.37 0.00 0.00 57.07 56.57 1ch0 s TYR 11 Cb -0.22 -1.85 -0.04 0.00 -0.40 0.00 0.00 41.96 39.45 1ch0 s TYR 11 CO 0.06 0.10 -0.02 -1.12 -1.57 0.00 0.00 175.55 173.01 1ch0 s SER 12 N -0.12 4.95 0.57 2.29 0.01 -1.26 -0.70 113.70 119.44 1ch0 s SER 12 Ca 0.02 -0.11 0.43 0.00 1.31 0.00 0.00 55.95 57.60 1ch0 s SER 12 Cb -0.13 -1.21 1.50 0.00 0.21 0.00 0.00 66.02 66.39 1ch0 s SER 12 CO 0.03 0.24 1.51 0.77 0.41 0.00 0.00 173.24 176.20 1ch0 h SER 13 N 4.05 0.00 -0.55 2.44 4.64 -1.97 1.12 113.55 123.29 1ch0 h SER 13 Ca -0.48 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.79 1ch0 h SER 13 Cb 1.17 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.24 1ch0 h SER 13 CO 0.57 0.00 0.15 0.28 -0.87 0.00 0.00 176.83 176.96 1ch0 h SER 14 N 0.00 0.82 -0.14 4.97 0.02 -1.99 -0.29 113.55 116.94 1ch0 h SER 14 Ca 0.79 -0.22 -0.08 0.00 -0.84 0.00 0.00 61.79 61.44 1ch0 h SER 14 Cb 3.47 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 65.79 1ch0 h SER 14 CO -0.01 0.83 -0.24 0.44 -1.14 0.00 0.00 176.83 176.71 1ch0 h ASP 15 N 0.77 0.46 -0.62 3.07 3.32 0.90 -2.41 116.42 121.90 1ch0 h ASP 15 Ca 0.17 -0.54 0.08 0.00 0.02 0.00 0.00 57.03 56.76 1ch0 h ASP 15 Cb 0.32 -0.13 -0.06 0.00 0.22 0.00 0.00 39.33 39.68 1ch0 h ASP 15 CO -0.00 0.91 0.30 0.58 -1.72 0.00 0.00 179.24 179.30 1ch0 h VAL 16 N 0.02 0.87 -0.34 -1.35 2.07 -1.30 -1.61 116.25 114.61 1ch0 h VAL 16 Ca 0.01 -0.18 -0.08 0.00 0.82 0.00 0.00 66.70 67.27 1ch0 h VAL 16 Cb 0.82 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 1ch0 h VAL 16 CO 0.05 0.10 -0.08 0.77 0.02 0.00 0.00 177.57 178.43 1ch0 h SER 17 N 0.54 0.66 0.34 0.57 4.64 -1.05 -1.84 113.55 117.42 1ch0 h SER 17 Ca 0.30 -0.36 -0.06 0.00 -0.47 0.00 0.00 61.79 61.20 1ch0 h SER 17 Cb 0.28 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.18 1ch0 h SER 17 CO -0.24 0.87 -0.27 0.71 -0.87 0.00 0.00 176.83 177.04 1ch0 h THR 18 N 0.44 1.07 0.01 2.95 1.35 -1.11 -1.46 112.91 116.16 1ch0 h THR 18 Ca 0.09 -0.96 -0.12 0.00 -0.55 0.00 0.00 66.41 64.87 1ch0 h THR 18 Cb 0.58 1.53 0.01 0.00 -1.73 0.00 0.00 68.15 68.55 1ch0 h THR 18 CO 0.03 0.26 -0.47 0.00 -0.25 0.00 0.00 175.52 175.09 1ch0 h ALA 19 N 1.73 0.05 -0.39 6.62 0.00 -1.22 -3.17 119.26 122.88 1ch0 h ALA 19 Ca -0.00 -0.54 0.07 0.00 0.00 0.00 0.00 54.91 54.44 1ch0 h ALA 19 Cb 0.51 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.27 1ch0 h ALA 19 CO 0.03 0.25 0.01 0.37 0.00 0.00 0.00 179.25 179.91 1ch0 h GLN 20 N -0.28 0.11 -0.13 0.00 4.15 -1.05 -1.44 115.11 116.47 1ch0 h GLN 20 Ca -0.06 -0.01 0.05 0.00 0.77 0.00 0.00 58.65 59.40 1ch0 h GLN 20 Cb 1.21 -0.02 -0.06 0.00 0.21 0.00 0.00 27.48 28.82 1ch0 h GLN 20 CO 0.09 0.07 -0.25 0.00 -1.93 0.00 0.00 178.83 176.81 1ch0 h ALA 21 N 1.34 -0.24 -0.75 3.38 0.00 -1.35 0.41 119.26 122.04 1ch0 h ALA 21 Ca 0.19 0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.20 1ch0 h ALA 21 Cb 0.27 0.49 -0.06 0.00 0.00 0.00 0.00 17.79 18.49 1ch0 h ALA 21 CO -0.31 -0.72 0.43 0.00 0.00 0.00 0.00 179.25 178.65 1ch0 h ALA 22 N 0.61 1.02 -0.21 0.00 0.00 -1.44 0.11 119.26 119.34 1ch0 h ALA 22 Ca 0.10 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1ch0 h ALA 22 Cb 0.47 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1ch0 h ALA 22 CO -0.32 0.11 0.03 0.78 0.00 0.00 0.00 179.25 179.86 1ch0 h GLY 23 N 0.78 0.38 1.24 0.00 0.00 -0.32 -2.69 103.07 102.46 1ch0 h GLY 23 Ca 0.34 -0.26 -0.06 0.00 0.00 0.00 0.00 47.33 47.35 1ch0 h GLY 23 CO -0.19 0.24 0.11 -1.82 0.00 0.00 0.00 176.54 174.88 1ch0 h TYR 24 N 0.15 0.98 0.05 5.60 3.20 0.24 -0.65 116.97 126.54 1ch0 h TYR 24 Ca 0.06 -0.11 0.03 0.00 3.14 0.00 0.00 58.73 61.85 1ch0 h TYR 24 Cb 0.33 -0.28 -0.04 0.00 1.54 0.00 0.00 36.73 38.27 1ch0 h TYR 24 CO 0.02 0.83 -0.31 -0.22 -1.64 0.00 0.00 178.16 176.84 1ch0 h LYS 25 N 0.89 -0.47 -0.52 1.82 3.64 -0.66 0.24 116.57 121.50 1ch0 h LYS 25 Ca 0.19 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 1ch0 h LYS 25 Cb 0.37 0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.27 1ch0 h LYS 25 CO 0.01 -0.31 0.34 -0.07 -2.27 0.00 0.00 179.45 177.14 1ch0 h LEU 26 N -0.49 0.61 -0.83 5.20 4.07 -1.31 -2.29 115.31 120.27 1ch0 h LEU 26 Ca 0.05 -0.03 0.09 0.00 0.08 0.00 0.00 57.88 58.07 1ch0 h LEU 26 Cb 0.55 -0.15 -0.07 0.00 1.08 0.00 0.00 40.66 42.06 1ch0 h LEU 26 CO -0.22 0.46 0.48 -0.74 -1.08 0.00 0.00 178.44 177.33 1ch0 h HIS 27 N 0.71 0.87 -0.17 1.13 -0.00 -0.36 0.29 115.15 117.62 1ch0 h HIS 27 Ca 0.19 0.03 -0.03 0.00 -0.00 0.00 0.00 60.37 60.56 1ch0 h HIS 27 Cb -0.06 -0.27 -0.01 0.00 -0.00 0.00 0.00 27.41 27.08 1ch0 h HIS 27 CO -0.03 0.36 0.00 1.49 -0.00 0.00 0.00 177.93 179.74 1ch0 h GLU 28 N 0.80 0.29 0.00 5.26 4.81 -0.25 -3.01 114.58 122.48 1ch0 h GLU 28 Ca 0.40 -0.09 -0.06 0.00 -0.13 0.00 0.00 59.36 59.48 1ch0 h GLU 28 Cb 0.36 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 1ch0 h GLU 28 CO -0.25 0.51 -0.28 -0.44 -0.73 0.00 0.00 179.01 177.83 1ch0 h ASP 29 N 0.04 0.00 0.00 1.04 3.32 -0.86 -3.46 116.42 116.50 1ch0 h ASP 29 Ca 0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.10 1ch0 h ASP 29 Cb 0.38 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.93 1ch0 h ASP 29 CO 0.01 0.28 0.00 0.61 -1.72 0.00 0.00 179.24 178.42 1ch0 n GLY 30 N -0.49 0.82 3.88 2.75 0.00 0.95 -5.07 105.19 108.02 1ch0 n GLY 30 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 1ch0 n GLY 30 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ch0 s GLU 31 N -0.64 3.66 0.29 1.61 -1.05 -0.77 -5.00 118.70 116.79 1ch0 s GLU 31 Ca 0.00 0.03 0.07 0.00 -0.15 0.00 0.00 54.97 54.91 1ch0 s GLU 31 Cb 0.00 -3.05 -0.06 0.00 -0.44 0.00 0.00 34.13 30.59 1ch0 s GLU 31 CO 0.00 0.61 -0.06 0.95 0.95 0.00 0.00 175.26 177.71 1ch0 s THR 32 N -1.34 1.69 0.09 1.83 -4.23 -1.26 -4.25 115.64 108.17 1ch0 s THR 32 Ca 0.30 -2.13 -0.01 0.00 -1.18 0.00 0.00 61.69 58.67 1ch0 s THR 32 Cb -0.13 -2.48 -0.04 0.00 1.34 0.00 0.00 72.50 71.19 1ch0 s THR 32 CO 0.17 -0.28 -0.00 0.68 -0.54 0.00 0.00 174.62 174.65 1ch0 s VAL 33 N -2.98 0.25 0.00 2.29 -7.23 0.79 -4.88 120.40 108.64 1ch0 s VAL 33 Ca 0.30 -1.86 0.00 0.00 -1.81 0.00 0.00 61.98 58.61 1ch0 s VAL 33 Cb 0.04 -1.74 0.00 0.00 0.56 0.00 0.00 36.38 35.24 1ch0 s VAL 33 CO 0.12 -0.78 0.00 0.61 -0.31 0.00 0.00 175.10 174.74 1ch0 n GLY 34 N 0.01 -1.37 0.16 2.32 0.00 -1.26 0.07 105.19 105.12 1ch0 n GLY 34 Ca -0.11 -1.58 0.04 0.00 0.00 0.00 0.00 46.02 44.37 1ch0 n GLY 34 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1ch0 h SER 35 N 0.00 0.00 -0.48 1.61 4.64 -1.89 -3.16 113.55 114.27 1ch0 h SER 35 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ch0 h SER 35 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1ch0 h SER 35 CO 0.00 0.42 0.00 0.59 -0.87 0.00 0.00 176.83 176.97 1ch0 n ASN 36 N -3.25 2.93 -2.96 4.97 4.13 -1.26 -4.99 115.26 114.82 1ch0 n ASN 36 Ca 0.02 -1.96 -0.08 0.00 1.68 0.00 0.00 54.58 54.24 1ch0 n ASN 36 Cb 0.67 -0.32 0.01 0.00 -1.54 0.00 0.00 39.78 38.60 1ch0 n ASN 36 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1ch0 n SER 37 N 1.11 -7.73 -4.88 6.41 7.64 -1.19 -4.89 113.62 110.08 1ch0 n SER 37 Ca 0.19 0.30 -0.36 0.00 1.01 0.00 0.00 58.87 60.01 1ch0 n SER 37 Cb 0.48 -5.10 -0.06 0.00 -1.01 0.00 0.00 64.21 58.52 1ch0 n SER 37 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1ch0 s TYR 38 N -2.67 3.60 0.48 1.43 2.02 0.11 -3.63 117.35 118.70 1ch0 s TYR 38 Ca 0.18 0.54 -0.15 0.00 -0.37 0.00 0.00 57.07 57.27 1ch0 s TYR 38 Cb -0.05 -1.95 -0.08 0.00 -0.40 0.00 0.00 41.96 39.48 1ch0 s TYR 38 CO 0.77 0.70 0.93 -1.25 -1.57 0.00 0.00 175.55 175.13 1ch0 s PRO 39 N -1.29 3.91 0.04 -1.71 0.04 -1.26 -0.15 135.00 134.59 1ch0 s PRO 39 Ca 0.19 0.83 -0.03 0.00 0.04 0.00 0.00 61.00 62.03 1ch0 s PRO 39 Cb -0.13 -2.20 -0.02 0.00 0.04 0.00 0.00 34.50 32.19 1ch0 s PRO 39 CO 0.09 -0.20 0.04 -3.38 0.04 0.00 0.00 177.00 173.58 1ch0 s HIS 40 N -2.55 0.30 0.28 0.56 -3.43 -1.15 -4.93 115.29 104.37 1ch0 s HIS 40 Ca 0.57 -0.68 -0.28 0.00 -0.80 0.00 0.00 55.06 53.88 1ch0 s HIS 40 Cb -0.10 -0.22 -0.15 0.00 -1.43 0.00 0.00 32.58 30.69 1ch0 s HIS 40 CO 0.31 -0.34 0.88 0.39 -2.00 0.00 0.00 174.74 173.97 1ch0 n GLU 41 N 0.70 1.01 -4.04 -0.38 1.02 -1.26 -1.19 120.64 116.49 1ch0 n GLU 41 Ca -0.18 0.35 -0.32 0.00 -0.02 0.00 0.00 57.16 56.99 1ch0 n GLU 41 Cb 0.59 -1.64 -0.15 0.00 -0.02 0.00 0.00 31.44 30.22 1ch0 n GLU 41 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1ch0 s PHE 42 N -1.07 3.27 -0.35 -0.32 5.36 -0.75 -4.66 117.98 119.46 1ch0 s PHE 42 Ca 0.60 -2.42 -0.23 0.00 -0.96 0.00 0.00 56.93 53.93 1ch0 s PHE 42 Cb -0.75 -2.12 0.01 0.00 -0.34 0.00 0.00 43.02 39.82 1ch0 s PHE 42 CO 0.59 -0.89 0.76 1.03 -1.46 0.00 0.00 175.22 175.26 1ch0 s ARG 43 N 1.09 3.80 -0.85 10.12 1.81 -1.26 -4.29 118.95 129.36 1ch0 s ARG 43 Ca -0.04 0.34 -0.13 0.00 -1.72 0.00 0.00 55.73 54.19 1ch0 s ARG 43 Cb -0.20 -3.79 -0.09 0.00 -0.45 0.00 0.00 34.95 30.42 1ch0 s ARG 43 CO -0.06 -0.79 2.02 -1.71 -0.68 0.00 0.00 175.30 174.08 1ch0 n ASN 44 N 6.31 3.80 0.08 0.23 5.15 -1.26 -4.64 115.26 124.94 1ch0 n ASN 44 Ca 0.03 -2.48 0.06 0.00 -0.60 0.00 0.00 54.58 51.58 1ch0 n ASN 44 Cb 0.48 -1.11 0.50 0.00 -0.53 0.00 0.00 39.78 39.13 1ch0 n ASN 44 CO 0.00 0.00 0.00 -0.50 1.40 0.00 0.00 177.26 178.16 1ch0 h TRP 45 N 7.01 0.34 0.00 1.20 6.55 -2.02 -1.16 115.95 127.87 1ch0 h TRP 45 Ca 0.46 0.01 0.00 0.00 0.95 0.00 0.00 58.89 60.31 1ch0 h TRP 45 Cb 0.39 -0.11 0.00 0.00 -0.86 0.00 0.00 29.16 28.57 1ch0 h TRP 45 CO 1.64 0.21 -0.04 1.04 -1.05 0.00 0.00 178.44 180.24 1ch0 n GLN 46 N -4.50 0.28 -2.63 0.49 6.02 -1.26 -4.98 117.38 110.79 1ch0 n GLN 46 Ca 0.01 0.21 -0.02 0.00 -0.01 0.00 0.00 57.00 57.20 1ch0 n GLN 46 Cb 0.08 -1.81 0.01 0.00 1.02 0.00 0.00 30.24 29.54 1ch0 n GLN 46 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ch0 n GLY 47 N 1.30 -0.90 3.86 1.08 0.00 -0.44 -5.02 105.19 105.07 1ch0 n GLY 47 Ca 0.05 0.29 -0.32 0.00 0.00 0.00 0.00 46.02 46.05 1ch0 n GLY 47 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ch0 s PHE 48 N -3.05 3.42 -1.27 1.61 0.08 -1.26 -4.97 117.98 112.54 1ch0 s PHE 48 Ca 0.06 1.21 -0.19 0.00 0.12 0.00 0.00 56.93 58.13 1ch0 s PHE 48 Cb -0.01 -2.56 0.04 0.00 -0.57 0.00 0.00 43.02 39.93 1ch0 s PHE 48 CO 0.53 -0.07 1.76 0.34 -0.10 0.00 0.00 175.22 177.69 1ch0 s ASP 49 N -2.74 6.52 -0.10 1.36 2.15 -1.26 -4.96 116.67 117.65 1ch0 s ASP 49 Ca 0.54 -2.29 -0.14 0.00 0.43 0.00 0.00 52.55 51.09 1ch0 s ASP 49 Cb -0.10 -2.58 -0.05 0.00 -0.30 0.00 0.00 42.92 39.89 1ch0 s ASP 49 CO 0.25 -1.51 0.35 -0.36 -0.17 0.00 0.00 175.17 173.73 1ch0 s PHE 50 N 5.41 3.57 0.06 -5.34 0.08 -1.26 -5.01 117.98 115.50 1ch0 s PHE 50 Ca 0.56 0.78 -0.18 0.00 0.12 0.00 0.00 56.93 58.21 1ch0 s PHE 50 Cb 0.03 -2.33 -0.13 0.00 -0.57 0.00 0.00 43.02 40.03 1ch0 s PHE 50 CO 0.08 0.41 1.34 0.77 -0.10 0.00 0.00 175.22 177.73 1ch0 h SER 51 N 5.87 0.58 -3.64 1.36 0.02 -1.91 -3.46 113.55 112.38 1ch0 h SER 51 Ca -0.46 -0.52 -0.47 0.00 -0.84 0.00 0.00 61.79 59.50 1ch0 h SER 51 Cb 1.19 -0.17 0.06 0.00 0.14 0.00 0.00 62.40 63.62 1ch0 h SER 51 CO 0.69 0.99 0.18 0.68 -1.14 0.00 0.00 176.83 178.23 1ch0 s VAL 52 N -4.16 3.55 0.57 2.27 -7.23 -1.26 -5.09 120.40 109.04 1ch0 s VAL 52 Ca -0.13 -0.03 -0.02 0.00 -1.81 0.00 0.00 61.98 59.99 1ch0 s VAL 52 Cb 0.07 -3.42 0.02 0.00 0.56 0.00 0.00 36.38 33.61 1ch0 s VAL 52 CO 0.80 -0.43 0.83 -0.44 -0.31 0.00 0.00 175.10 175.56 1ch0 s SER 53 N -4.32 5.40 0.89 4.85 0.01 -1.26 -5.02 113.70 114.24 1ch0 s SER 53 Ca 0.54 0.34 -0.12 0.00 1.31 0.00 0.00 55.95 58.02 1ch0 s SER 53 Cb -0.11 -1.30 0.13 0.00 0.21 0.00 0.00 66.02 64.95 1ch0 s SER 53 CO 0.45 -1.11 1.14 -0.44 0.41 0.00 0.00 173.24 173.69 1ch0 s SER 54 N -4.36 3.72 0.64 2.44 0.01 -1.26 -4.67 113.70 110.21 1ch0 s SER 54 Ca 0.55 0.95 -0.14 0.00 1.31 0.00 0.00 55.95 58.61 1ch0 s SER 54 Cb -0.10 -1.52 -0.02 0.00 0.21 0.00 0.00 66.02 64.59 1ch0 s SER 54 CO 0.41 -2.42 1.07 -2.16 0.41 0.00 0.00 173.24 170.55 1ch0 s PRO 55 N -5.32 3.09 0.29 12.44 0.04 -1.26 -4.79 135.00 139.49 1ch0 s PRO 55 Ca 0.63 1.18 0.08 0.00 0.04 0.00 0.00 61.00 62.94 1ch0 s PRO 55 Cb -0.14 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.36 1ch0 s PRO 55 CO 0.53 -0.99 0.14 0.71 0.04 0.00 0.00 177.00 177.43 1ch0 s TYR 56 N -2.58 2.85 -0.08 0.56 2.02 -1.26 -2.65 117.35 116.22 1ch0 s TYR 56 Ca 0.63 -0.25 -0.05 0.00 -0.37 0.00 0.00 57.07 57.04 1ch0 s TYR 56 Cb -0.16 -1.48 0.03 0.00 -0.40 0.00 0.00 41.96 39.95 1ch0 s TYR 56 CO 0.42 0.44 0.19 0.71 -1.57 0.00 0.00 175.55 175.74 1ch0 s TYR 57 N -2.29 -0.22 -0.07 2.71 2.02 0.32 -1.82 117.35 117.99 1ch0 s TYR 57 Ca 0.35 0.57 -0.20 0.00 -0.37 0.00 0.00 57.07 57.42 1ch0 s TYR 57 Cb -0.06 0.01 -0.04 0.00 -0.40 0.00 0.00 41.96 41.47 1ch0 s TYR 57 CO 0.23 -0.16 0.57 -2.00 -1.57 0.00 0.00 175.55 172.61 1ch0 s GLU 58 N 0.84 4.34 -0.08 -0.62 2.12 -0.34 -2.01 118.70 122.95 1ch0 s GLU 58 Ca -0.06 0.64 -0.03 0.00 0.36 0.00 0.00 54.97 55.87 1ch0 s GLU 58 Cb -0.08 -3.40 0.04 0.00 0.26 0.00 0.00 34.13 30.95 1ch0 s GLU 58 CO -0.05 0.21 0.17 -0.46 -0.54 0.00 0.00 175.26 174.60 1ch0 s TRP 59 N 0.37 -0.21 0.31 5.30 -0.11 -0.55 -2.93 118.94 121.11 1ch0 s TRP 59 Ca 0.30 0.57 -0.29 0.00 1.22 0.00 0.00 56.10 57.90 1ch0 s TRP 59 Cb -0.17 -0.05 -0.10 0.00 -1.50 0.00 0.00 33.47 31.65 1ch0 s TRP 59 CO 0.14 -0.19 1.28 -2.14 -4.62 0.00 0.00 176.95 171.43 1ch0 s PRO 60 N 1.21 4.40 -0.30 5.86 0.02 -1.26 0.65 135.00 145.58 1ch0 s PRO 60 Ca -0.09 2.14 0.03 0.00 0.02 0.00 0.00 61.00 63.10 1ch0 s PRO 60 Cb -0.11 -3.10 0.08 0.00 0.02 0.00 0.00 34.50 31.39 1ch0 s PRO 60 CO -0.07 -0.14 -0.02 -1.50 -0.33 0.00 0.00 177.00 174.95 1ch0 s ILE 61 N -0.98 2.12 0.54 2.83 2.07 -0.99 -4.52 121.20 122.27 1ch0 s ILE 61 Ca 0.49 -1.95 -0.21 0.00 -1.41 0.00 0.00 60.65 57.57 1ch0 s ILE 61 Cb -0.38 -2.42 -0.05 0.00 0.13 0.00 0.00 42.46 39.73 1ch0 s ILE 61 CO 0.49 -0.35 1.23 -0.76 -1.91 0.00 0.00 174.94 173.64 1ch0 s LEU 62 N 1.05 3.83 0.37 8.50 1.43 -1.26 -4.63 118.68 127.97 1ch0 s LEU 62 Ca 0.02 2.45 0.19 0.00 -1.03 0.00 0.00 54.13 55.76 1ch0 s LEU 62 Cb -0.19 -4.40 0.65 0.00 0.03 0.00 0.00 46.19 42.27 1ch0 s LEU 62 CO -0.07 -1.36 1.72 0.77 0.23 0.00 0.00 176.35 177.63 1ch0 h SER 63 N 1.41 0.00 0.00 2.29 4.64 -1.92 -2.97 113.55 117.00 1ch0 h SER 63 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 1ch0 h SER 63 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1ch0 h SER 63 CO 0.57 0.37 0.00 -1.54 -0.87 0.00 0.00 176.83 175.36 1ch0 n SER 64 N -3.48 0.79 -3.06 4.97 3.41 -1.26 -4.83 113.62 110.16 1ch0 n SER 64 Ca 0.00 -1.93 -0.20 0.00 -0.26 0.00 0.00 58.87 56.48 1ch0 n SER 64 Cb 0.52 -0.39 0.00 0.00 -0.26 0.00 0.00 64.21 64.08 1ch0 n SER 64 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ch0 n GLY 65 N 0.10 -0.50 3.60 5.00 0.00 -1.12 -4.95 105.19 107.32 1ch0 n GLY 65 Ca 0.00 0.07 -0.26 0.00 0.00 0.00 0.00 46.02 45.83 1ch0 n GLY 65 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ch0 s ASP 66 N -2.53 3.94 -0.15 1.61 2.15 -1.26 -5.06 116.67 115.37 1ch0 s ASP 66 Ca 0.27 -1.19 -0.21 0.00 0.43 0.00 0.00 52.55 51.86 1ch0 s ASP 66 Cb -0.14 -0.42 -0.03 0.00 -0.30 0.00 0.00 42.92 42.03 1ch0 s ASP 66 CO 0.34 -0.31 0.60 0.68 -0.17 0.00 0.00 175.17 176.31 1ch0 s VAL 67 N -2.61 5.07 0.18 1.11 -7.23 -1.26 -4.01 120.40 111.65 1ch0 s VAL 67 Ca 0.34 1.17 -0.33 0.00 -1.81 0.00 0.00 61.98 61.36 1ch0 s VAL 67 Cb 0.04 -3.93 -0.14 0.00 0.56 0.00 0.00 36.38 32.91 1ch0 s VAL 67 CO 0.18 0.20 1.50 0.00 -0.31 0.00 0.00 175.10 176.67 1ch0 n TYR 68 N 4.40 2.17 0.00 2.82 9.36 -1.26 -4.88 117.16 129.77 1ch0 n TYR 68 Ca -0.03 0.36 0.00 0.00 3.32 0.00 0.00 57.90 61.55 1ch0 n TYR 68 Cb 0.51 -2.50 0.00 0.00 -0.63 0.00 0.00 39.34 36.72 1ch0 n TYR 68 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 1ch0 n SER 69 N 2.91 2.44 0.00 2.98 3.41 -1.26 -5.01 113.62 119.09 1ch0 n SER 69 Ca 0.15 -0.19 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 1ch0 n SER 69 Cb 0.29 0.86 0.00 0.00 -0.26 0.00 0.00 64.21 65.10 1ch0 n SER 69 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ch0 n GLY 70 N 1.59 -0.34 0.00 5.00 0.00 -1.26 -4.27 105.19 105.91 1ch0 n GLY 70 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ch0 n GLY 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ch0 n GLY 71 N 0.00 0.97 3.67 -0.02 0.00 -1.26 -4.46 105.19 104.09 1ch0 n GLY 71 Ca 0.00 -1.48 -0.43 0.00 0.00 0.00 0.00 46.02 44.12 1ch0 n GLY 71 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ch0 s SER 72 N -1.00 6.91 0.35 1.61 0.01 -1.26 -4.86 113.70 115.46 1ch0 s SER 72 Ca 0.00 1.83 0.09 0.00 1.31 0.00 0.00 55.95 59.18 1ch0 s SER 72 Cb 0.00 -2.54 0.66 0.00 0.21 0.00 0.00 66.02 64.35 1ch0 s SER 72 CO 0.00 -0.76 1.82 1.55 0.41 0.00 0.00 173.24 176.27 1ch0 h PRO 73 N 8.26 0.19 0.00 12.44 0.13 -1.99 -3.50 132.00 147.53 1ch0 h PRO 73 Ca -0.30 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1ch0 h PRO 73 Cb 1.13 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1ch0 h PRO 73 CO 0.95 0.46 0.00 0.41 -0.23 0.00 0.00 178.00 179.59 1ch0 n GLY 74 N -0.55 -1.76 0.00 1.56 0.00 -1.26 -4.55 105.19 98.63 1ch0 n GLY 74 Ca -0.01 -1.54 0.08 0.00 0.00 0.00 0.00 46.02 44.54 1ch0 n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ch0 n ALA 75 N 0.90 4.06 -2.62 4.61 0.00 -1.26 -4.97 120.51 121.22 1ch0 n ALA 75 Ca 0.00 -0.45 -0.38 0.00 0.00 0.00 0.00 53.44 52.61 1ch0 n ALA 75 Cb 0.00 -0.58 -0.06 0.00 0.00 0.00 0.00 19.45 18.81 1ch0 n ALA 75 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ch0 s ASP 76 N -2.54 6.67 0.05 0.00 1.01 -1.26 -0.32 116.67 120.28 1ch0 s ASP 76 Ca 0.06 0.79 0.04 0.00 0.71 0.00 0.00 52.55 54.15 1ch0 s ASP 76 Cb 0.12 -2.20 -0.02 0.00 1.01 0.00 0.00 42.92 41.83 1ch0 s ASP 76 CO 0.66 0.32 -0.12 -0.13 0.21 0.00 0.00 175.17 176.10 1ch0 s ARG 77 N -0.87 0.76 -0.19 8.23 1.81 0.14 -2.33 118.95 126.49 1ch0 s ARG 77 Ca 0.21 -0.81 -0.03 0.00 -1.72 0.00 0.00 55.73 53.38 1ch0 s ARG 77 Cb -0.15 -0.71 -0.01 0.00 -0.45 0.00 0.00 34.95 33.63 1ch0 s ARG 77 CO 0.10 0.16 -0.06 0.08 -0.68 0.00 0.00 175.30 174.90 1ch0 s VAL 78 N -1.11 3.40 -0.23 3.52 1.01 0.21 -1.62 120.40 125.58 1ch0 s VAL 78 Ca -0.03 -0.50 -0.08 0.00 0.00 0.00 0.00 61.98 61.38 1ch0 s VAL 78 Cb -0.09 -2.52 -0.04 0.00 0.00 0.00 0.00 36.38 33.74 1ch0 s VAL 78 CO 0.01 0.46 0.08 -0.69 0.00 0.00 0.00 175.10 174.96 1ch0 s VAL 79 N 1.05 4.56 0.22 2.92 1.01 -0.08 -1.49 120.40 128.60 1ch0 s VAL 79 Ca 0.01 -0.10 0.06 0.00 0.00 0.00 0.00 61.98 61.95 1ch0 s VAL 79 Cb -0.15 -3.11 -0.05 0.00 0.00 0.00 0.00 36.38 33.08 1ch0 s VAL 79 CO -0.00 0.37 -0.08 0.72 0.00 0.00 0.00 175.10 176.11 1ch0 s PHE 80 N 1.18 1.67 0.50 5.22 -0.12 -0.85 -0.65 117.98 124.92 1ch0 s PHE 80 Ca 0.05 -0.73 0.03 0.00 -0.05 0.00 0.00 56.93 56.23 1ch0 s PHE 80 Cb -0.14 -0.89 0.03 0.00 -0.63 0.00 0.00 43.02 41.39 1ch0 s PHE 80 CO 0.04 0.19 0.27 0.27 -0.05 0.00 0.00 175.22 175.94 1ch0 n ASN 81 N -0.42 2.85 0.29 1.98 6.94 -0.46 -0.52 115.26 125.92 1ch0 n ASN 81 Ca -0.07 -2.87 0.16 0.00 -0.02 0.00 0.00 54.58 51.78 1ch0 n ASN 81 Cb 0.62 0.07 0.78 0.00 -2.36 0.00 0.00 39.78 38.89 1ch0 n ASN 81 CO 0.00 0.00 0.00 -0.08 -1.03 0.00 0.00 177.26 176.15 1ch0 h GLU 82 N 0.00 0.00 -0.37 -3.83 4.81 -1.77 0.18 114.58 113.59 1ch0 h GLU 82 Ca -0.35 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.88 1ch0 h GLU 82 Cb 1.19 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.57 1ch0 h GLU 82 CO 0.55 0.00 0.00 0.09 -0.73 0.00 0.00 179.01 178.92 1ch0 n ASN 83 N -3.01 3.13 -2.32 1.04 3.02 -1.26 -4.92 115.26 110.94 1ch0 n ASN 83 Ca -0.00 -1.95 -0.15 0.00 -0.03 0.00 0.00 54.58 52.45 1ch0 n ASN 83 Cb 0.44 -0.24 0.04 0.00 -0.61 0.00 0.00 39.78 39.42 1ch0 n ASN 83 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1ch0 n ASN 84 N 1.27 -4.65 -4.68 6.41 5.15 0.63 -5.02 115.26 114.38 1ch0 n ASN 84 Ca 0.19 -0.30 -0.34 0.00 -0.60 0.00 0.00 54.58 53.53 1ch0 n ASN 84 Cb 0.55 -3.29 -0.09 0.00 -0.53 0.00 0.00 39.78 36.42 1ch0 n ASN 84 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1ch0 s GLN 85 N -5.71 2.88 -0.22 1.20 -0.21 -1.25 -4.90 119.66 111.45 1ch0 s GLN 85 Ca 0.33 -0.51 -0.29 0.00 0.02 0.00 0.00 55.36 54.91 1ch0 s GLN 85 Cb -0.15 -2.72 -0.00 0.00 1.00 0.00 0.00 33.01 31.14 1ch0 s GLN 85 CO 0.41 0.66 1.20 -1.17 -2.12 0.00 0.00 175.29 174.27 1ch0 s LEU 86 N -1.21 4.09 -0.08 2.90 2.96 -1.26 -1.35 118.68 124.73 1ch0 s LEU 86 Ca 0.16 1.47 -0.00 0.00 -0.22 0.00 0.00 54.13 55.54 1ch0 s LEU 86 Cb -0.11 -3.54 -0.26 0.00 0.50 0.00 0.00 46.19 42.78 1ch0 s LEU 86 CO 0.06 -0.80 0.54 0.00 -1.32 0.00 0.00 176.35 174.83 1ch0 h ALA 87 N 8.18 0.51 0.00 5.97 0.00 -1.22 -3.44 119.26 129.26 1ch0 h ALA 87 Ca -0.24 -1.37 0.00 0.00 0.00 0.00 0.00 54.91 53.30 1ch0 h ALA 87 Cb 1.09 0.57 0.00 0.00 0.00 0.00 0.00 17.79 19.45 1ch0 h ALA 87 CO 0.99 1.37 0.00 0.41 0.00 0.00 0.00 179.25 182.02 1ch0 n GLY 88 N 1.81 1.75 3.16 0.00 0.00 -1.07 -4.52 105.19 106.32 1ch0 n GLY 88 Ca -0.25 -0.98 -0.34 0.00 0.00 0.00 0.00 46.02 44.45 1ch0 n GLY 88 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ch0 s VAL 89 N -2.00 2.67 0.32 1.61 1.01 -1.26 -0.90 120.40 121.85 1ch0 s VAL 89 Ca 0.00 -1.17 0.10 0.00 0.00 0.00 0.00 61.98 60.92 1ch0 s VAL 89 Cb 0.00 -2.39 -0.06 0.00 0.00 0.00 0.00 36.38 33.93 1ch0 s VAL 89 CO 0.00 0.16 -0.13 0.27 0.00 0.00 0.00 175.10 175.40 1ch0 s ILE 90 N 1.27 2.33 -0.01 2.22 -4.36 -0.64 -1.09 121.20 120.92 1ch0 s ILE 90 Ca -0.02 -2.28 -0.13 0.00 -0.26 0.00 0.00 60.65 57.97 1ch0 s ILE 90 Cb -0.17 -2.52 0.02 0.00 1.25 0.00 0.00 42.46 41.03 1ch0 s ILE 90 CO -0.05 -0.27 0.26 0.28 0.24 0.00 0.00 174.94 175.40 1ch0 s THR 91 N -2.57 0.06 0.17 8.37 -1.32 -0.54 0.24 115.64 120.05 1ch0 s THR 91 Ca 0.32 -0.52 -0.01 0.00 -1.21 0.00 0.00 61.69 60.27 1ch0 s THR 91 Cb -0.00 -0.56 -0.12 0.00 -1.51 0.00 0.00 72.50 70.31 1ch0 s THR 91 CO 0.16 -0.29 1.41 0.45 -2.21 0.00 0.00 174.62 174.15 1ch0 h HIS 92 N 4.02 0.49 -0.89 9.09 3.86 -0.88 -1.12 115.15 129.71 1ch0 h HIS 92 Ca -0.30 -0.23 -0.71 0.00 -1.16 0.00 0.00 60.37 57.97 1ch0 h HIS 92 Cb 1.18 -0.07 -0.02 0.00 1.06 0.00 0.00 27.41 29.57 1ch0 h HIS 92 CO 0.54 1.00 1.29 2.41 0.86 0.00 0.00 177.93 184.03 1ch0 n THR 93 N -3.79 0.16 -0.06 2.45 -1.04 -1.26 0.50 114.28 111.24 1ch0 n THR 93 Ca -0.04 -0.15 0.00 0.00 -2.04 0.00 0.00 64.05 61.81 1ch0 n THR 93 Cb 0.74 -1.26 0.00 0.00 -1.82 0.00 0.00 70.33 67.99 1ch0 n THR 93 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ch0 n GLY 94 N 6.34 0.46 3.95 3.41 0.00 -1.26 -4.75 105.19 113.34 1ch0 n GLY 94 Ca 0.42 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.21 1ch0 n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ch0 s ALA 95 N -2.18 3.79 0.13 4.61 0.00 0.18 -5.01 121.76 123.28 1ch0 s ALA 95 Ca 0.00 -1.04 -0.15 0.00 0.00 0.00 0.00 51.96 50.77 1ch0 s ALA 95 Cb 0.00 -2.00 -0.07 0.00 0.00 0.00 0.00 23.12 21.05 1ch0 s ALA 95 CO 0.00 -0.01 0.55 -1.12 0.00 0.00 0.00 175.76 175.18 1ch0 s SER 96 N -4.06 6.87 0.57 0.00 0.01 -1.26 -4.87 113.70 110.96 1ch0 s SER 96 Ca 0.40 1.11 0.00 0.00 1.31 0.00 0.00 55.95 58.77 1ch0 s SER 96 Cb -0.09 -2.30 0.00 0.00 0.21 0.00 0.00 66.02 63.83 1ch0 s SER 96 CO 0.34 0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.75 1ch0 n GLY 97 N 1.03 2.78 2.11 3.44 0.00 -1.26 -1.56 105.19 111.73 1ch0 n GLY 97 Ca -0.07 -0.04 -0.25 0.00 0.00 0.00 0.00 46.02 45.66 1ch0 n GLY 97 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ch0 n ASN 98 N 1.91 6.43 -4.92 1.61 5.15 -1.26 -4.95 115.26 119.23 1ch0 n ASN 98 Ca 0.00 -3.44 -0.23 0.00 -0.60 0.00 0.00 54.58 50.32 1ch0 n ASN 98 Cb 0.00 -0.96 -0.00 0.00 -0.53 0.00 0.00 39.78 38.29 1ch0 n ASN 98 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 1ch0 s ASN 99 N -0.94 4.90 0.40 1.20 0.01 -0.60 -5.14 114.94 114.76 1ch0 s ASN 99 Ca 0.49 -0.97 0.06 0.00 -0.71 0.00 0.00 52.86 51.74 1ch0 s ASN 99 Cb 0.39 0.01 -0.07 0.00 0.41 0.00 0.00 41.25 41.99 1ch0 s ASN 99 CO 0.01 -0.98 0.02 -0.36 -1.51 0.00 0.00 177.10 174.28 1ch0 s PHE 100 N -2.63 2.35 -0.13 2.20 0.08 -1.26 -4.44 117.98 114.14 1ch0 s PHE 100 Ca 0.45 -0.76 -0.08 0.00 0.12 0.00 0.00 56.93 56.66 1ch0 s PHE 100 Cb -0.03 -1.65 0.05 0.00 -0.57 0.00 0.00 43.02 40.81 1ch0 s PHE 100 CO 0.27 0.33 0.32 0.54 -0.10 0.00 0.00 175.22 176.58 1ch0 s VAL 101 N -2.86 -0.03 0.17 -0.44 0.11 -0.42 -4.87 120.40 112.06 1ch0 s VAL 101 Ca 0.33 0.10 -0.32 0.00 -2.93 0.00 0.00 61.98 59.16 1ch0 s VAL 101 Cb 0.09 -0.47 -0.11 0.00 -1.53 0.00 0.00 36.38 34.36 1ch0 s VAL 101 CO 0.17 0.04 1.76 -1.61 -3.33 0.00 0.00 175.10 172.12 1ch0 s GLU 102 N 1.06 4.13 0.58 1.54 2.02 -1.26 -1.47 118.70 125.30 1ch0 s GLU 102 Ca -0.07 2.59 -0.19 0.00 0.02 0.00 0.00 54.97 57.32 1ch0 s GLU 102 Cb -0.08 -3.28 -0.04 0.00 0.10 0.00 0.00 34.13 30.83 1ch0 s GLU 102 CO -0.08 -0.78 1.17 0.00 0.02 0.00 0.00 175.26 175.59