#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 0.00 1.14 -3.45 0.00 3.32 -1.87 -3.41 116.42 112.14 1ch0 h ASP 3 Ca 0.00 -0.02 -0.37 0.00 0.02 0.00 0.00 57.03 56.66 1ch0 h ASP 3 Cb 0.00 -0.28 -0.35 0.00 0.22 0.00 0.00 39.33 38.93 1ch0 h ASP 3 CO 0.00 0.81 -0.75 -0.31 -1.72 0.00 0.00 179.24 177.26 1ch0 s TYR 4 N -6.11 0.42 -0.24 4.55 2.02 -0.30 -4.95 117.35 112.73 1ch0 s TYR 4 Ca -0.13 -0.04 0.01 0.00 -0.37 0.00 0.00 57.07 56.54 1ch0 s TYR 4 Cb 0.18 -0.50 0.04 0.00 -0.40 0.00 0.00 41.96 41.28 1ch0 s TYR 4 CO 0.82 -0.17 -0.12 0.99 -1.57 0.00 0.00 175.55 175.50 1ch0 s THR 5 N 1.17 2.30 -0.53 -0.71 2.01 -1.26 -0.44 115.64 118.17 1ch0 s THR 5 Ca -0.08 -1.35 -0.07 0.00 0.31 0.00 0.00 61.69 60.51 1ch0 s THR 5 Cb -0.13 -2.23 0.14 0.00 0.01 0.00 0.00 72.50 70.29 1ch0 s THR 5 CO -0.02 0.15 0.39 0.00 -0.69 0.00 0.00 174.62 174.45 1ch0 n GLY 7 N 4.43 1.85 0.72 0.00 0.00 -1.26 -1.66 105.19 109.27 1ch0 n GLY 7 Ca -0.01 0.04 0.09 0.00 0.00 0.00 0.00 46.02 46.14 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 10.65 2.55 -4.74 1.61 7.64 -1.26 -4.96 113.62 125.11 1ch0 n SER 8 Ca 0.00 -1.75 -0.38 0.00 1.01 0.00 0.00 58.87 57.76 1ch0 n SER 8 Cb 0.00 -0.04 -0.06 0.00 -1.01 0.00 0.00 64.21 63.09 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 -1.38 6.65 -0.27 6.43 0.01 -0.67 -5.06 114.94 120.66 1ch0 s ASN 9 Ca 0.22 0.77 -0.08 0.00 -0.71 0.00 0.00 52.86 53.06 1ch0 s ASN 9 Cb 0.15 -2.26 -0.02 0.00 0.41 0.00 0.00 41.25 39.52 1ch0 s ASN 9 CO 0.22 0.07 0.10 0.00 -1.51 0.00 0.00 177.10 175.98 1ch0 s TYR 11 N 1.62 2.45 0.42 0.00 2.02 0.41 -5.01 117.35 119.26 1ch0 s TYR 11 Ca 0.06 -0.61 0.01 0.00 -0.37 0.00 0.00 57.07 56.16 1ch0 s TYR 11 Cb -0.16 -1.59 -0.01 0.00 -0.40 0.00 0.00 41.96 39.81 1ch0 s TYR 11 CO 0.05 -0.15 0.62 -1.54 -1.57 0.00 0.00 175.55 172.96 1ch0 s SER 12 N -0.29 5.91 0.42 2.29 1.04 -1.26 -1.16 113.70 120.65 1ch0 s SER 12 Ca 0.00 0.22 0.14 0.00 0.48 0.00 0.00 55.95 56.79 1ch0 s SER 12 Cb -0.13 -1.54 1.00 0.00 0.10 0.00 0.00 66.02 65.45 1ch0 s SER 12 CO 0.02 -0.60 1.93 0.28 0.98 0.00 0.00 173.24 175.85 1ch0 h SER 13 N 0.53 0.43 -0.72 7.02 0.02 -1.98 -0.43 113.55 118.43 1ch0 h SER 13 Ca -0.47 0.02 -0.07 0.00 -0.84 0.00 0.00 61.79 60.44 1ch0 h SER 13 Cb 1.25 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 63.69 1ch0 h SER 13 CO 0.57 0.24 0.18 0.28 -1.14 0.00 0.00 176.83 176.96 1ch0 h SER 14 N 0.47 1.09 -0.47 3.07 0.02 -1.99 0.10 113.55 115.84 1ch0 h SER 14 Ca 0.35 -0.23 -0.01 0.00 -0.84 0.00 0.00 61.79 61.06 1ch0 h SER 14 Cb 0.73 -0.29 -0.02 0.00 0.14 0.00 0.00 62.40 62.96 1ch0 h SER 14 CO -0.12 1.03 0.24 0.44 -1.14 0.00 0.00 176.83 177.29 1ch0 h ASP 15 N 1.09 0.60 -0.02 3.07 3.32 -1.46 -1.27 116.42 121.74 1ch0 h ASP 15 Ca 0.23 -0.11 -0.00 0.00 0.02 0.00 0.00 57.03 57.17 1ch0 h ASP 15 Cb 0.37 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.77 1ch0 h ASP 15 CO 0.00 0.54 0.01 0.58 -1.72 0.00 0.00 179.24 178.65 1ch0 h VAL 16 N 0.62 1.11 -0.37 -1.35 2.07 -1.11 -1.74 116.25 115.47 1ch0 h VAL 16 Ca 0.16 -0.31 0.06 0.00 0.82 0.00 0.00 66.70 67.43 1ch0 h VAL 16 Cb 0.08 1.28 -0.05 0.00 -1.52 0.00 0.00 31.29 31.08 1ch0 h VAL 16 CO -0.02 0.08 0.07 0.28 0.02 0.00 0.00 177.57 178.00 1ch0 h SER 17 N -0.10 0.01 -0.89 0.57 0.02 -0.87 0.11 113.55 112.41 1ch0 h SER 17 Ca 0.01 0.06 -0.02 0.00 -0.84 0.00 0.00 61.79 61.00 1ch0 h SER 17 Cb 0.13 0.08 -0.04 0.00 0.14 0.00 0.00 62.40 62.71 1ch0 h SER 17 CO -0.00 0.04 0.49 0.74 -1.14 0.00 0.00 176.83 176.96 1ch0 h THR 18 N 0.20 1.26 0.03 -2.27 2.02 -1.13 -0.47 112.91 112.55 1ch0 h THR 18 Ca 0.18 -0.62 -0.00 0.00 0.77 0.00 0.00 66.41 66.73 1ch0 h THR 18 Cb 0.20 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 66.66 1ch0 h THR 18 CO -0.23 0.29 -0.02 0.00 0.37 0.00 0.00 175.52 175.93 1ch0 h ALA 19 N 1.30 -0.04 -0.40 6.16 0.00 -0.66 -2.59 119.26 123.03 1ch0 h ALA 19 Ca 0.31 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 55.12 1ch0 h ALA 19 Cb 0.02 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 1ch0 h ALA 19 CO -0.05 -0.38 0.15 0.37 0.00 0.00 0.00 179.25 179.34 1ch0 h GLN 20 N -0.34 0.30 -0.15 0.00 4.15 -0.59 -0.78 115.11 117.71 1ch0 h GLN 20 Ca -0.00 -0.02 0.02 0.00 0.77 0.00 0.00 58.65 59.42 1ch0 h GLN 20 Cb 0.32 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 27.92 1ch0 h GLN 20 CO 0.01 0.20 0.00 0.00 -1.93 0.00 0.00 178.83 177.11 1ch0 h ALA 21 N 1.25 0.13 -0.80 3.38 0.00 -1.08 0.55 119.26 122.68 1ch0 h ALA 21 Ca 0.18 0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.19 1ch0 h ALA 21 Cb 0.15 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.95 1ch0 h ALA 21 CO -0.18 -0.45 0.49 0.00 0.00 0.00 0.00 179.25 179.11 1ch0 h ALA 22 N 1.12 1.09 -0.28 0.00 0.00 -1.09 -0.34 119.26 119.76 1ch0 h ALA 22 Ca 0.07 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1ch0 h ALA 22 Cb 0.08 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1ch0 h ALA 22 CO -0.11 0.22 -0.16 0.78 0.00 0.00 0.00 179.25 179.98 1ch0 h GLY 23 N 0.89 0.64 1.34 0.00 0.00 -0.30 -3.00 103.07 102.65 1ch0 h GLY 23 Ca 0.35 -0.60 -0.06 0.00 0.00 0.00 0.00 47.33 47.02 1ch0 h GLY 23 CO -0.17 0.54 0.06 -1.82 0.00 0.00 0.00 176.54 175.15 1ch0 h TYR 24 N 0.33 0.86 -0.88 5.60 3.20 0.40 -2.10 116.97 124.38 1ch0 h TYR 24 Ca 0.06 -0.10 0.05 0.00 3.14 0.00 0.00 58.73 61.88 1ch0 h TYR 24 Cb 0.68 -0.24 -0.06 0.00 1.54 0.00 0.00 36.73 38.65 1ch0 h TYR 24 CO 0.06 0.76 0.56 -0.22 -1.64 0.00 0.00 178.16 177.68 1ch0 h LYS 25 N 0.77 1.01 -0.43 1.82 3.64 -1.00 -0.70 116.57 121.68 1ch0 h LYS 25 Ca 0.16 -0.06 -0.14 0.00 -1.27 0.00 0.00 60.65 59.34 1ch0 h LYS 25 Cb 0.38 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 1ch0 h LYS 25 CO 0.01 0.67 -0.27 -0.07 -2.27 0.00 0.00 179.45 177.52 1ch0 h LEU 26 N 1.04 0.99 -0.14 5.20 3.38 -1.34 -2.97 115.31 121.46 1ch0 h LEU 26 Ca 0.37 -0.42 0.03 0.00 0.09 0.00 0.00 57.88 57.94 1ch0 h LEU 26 Cb 0.10 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 1ch0 h LEU 26 CO -0.15 1.20 -0.03 -0.74 0.09 0.00 0.00 178.44 178.80 1ch0 h HIS 27 N 0.78 -0.07 0.00 1.13 2.76 -0.61 -0.05 115.15 119.08 1ch0 h HIS 27 Ca 0.09 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.25 1ch0 h HIS 27 Cb 0.85 0.05 -0.00 0.00 1.55 0.00 0.00 27.41 29.86 1ch0 h HIS 27 CO 0.06 -0.06 -0.12 1.05 -1.30 0.00 0.00 177.93 177.56 1ch0 h GLU 28 N 0.00 0.00 -0.01 5.26 4.11 -1.17 -1.87 114.58 120.91 1ch0 h GLU 28 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.50 1ch0 h GLU 28 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1ch0 h GLU 28 CO -0.15 0.12 -0.33 -0.25 0.07 0.00 0.00 179.01 178.47 1ch0 n ASP 29 N -3.63 1.34 -0.41 3.06 8.00 -0.94 -4.93 116.55 119.04 1ch0 n ASP 29 Ca -0.02 -1.09 -0.05 0.00 0.71 0.00 0.00 54.79 54.34 1ch0 n ASP 29 Cb 0.24 0.25 -0.02 0.00 -0.02 0.00 0.00 41.12 41.57 1ch0 n ASP 29 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ch0 n GLY 30 N 1.37 0.79 3.92 0.44 0.00 -0.56 -5.03 105.19 106.12 1ch0 n GLY 30 Ca 0.11 -0.76 -0.29 0.00 0.00 0.00 0.00 46.02 45.08 1ch0 n GLY 30 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ch0 s GLU 31 N -2.37 3.53 0.04 1.61 0.41 -0.14 -5.01 118.70 116.76 1ch0 s GLU 31 Ca 0.00 -0.31 -0.03 0.00 -0.41 0.00 0.00 54.97 54.22 1ch0 s GLU 31 Cb 0.00 -2.89 -0.02 0.00 -1.78 0.00 0.00 34.13 29.44 1ch0 s GLU 31 CO 0.00 0.46 0.02 0.95 -0.49 0.00 0.00 175.26 176.21 1ch0 s THR 32 N -1.74 0.16 0.14 3.63 -4.23 -1.26 -4.26 115.64 108.08 1ch0 s THR 32 Ca 0.38 -1.30 0.00 0.00 -1.18 0.00 0.00 61.69 59.59 1ch0 s THR 32 Cb -0.12 -0.98 -0.04 0.00 1.34 0.00 0.00 72.50 72.70 1ch0 s THR 32 CO 0.28 -0.72 0.02 0.68 -0.54 0.00 0.00 174.62 174.34 1ch0 s VAL 33 N -2.84 0.42 0.00 2.29 -7.23 0.77 -4.86 120.40 108.95 1ch0 s VAL 33 Ca -0.03 -1.94 0.00 0.00 -1.81 0.00 0.00 61.98 58.20 1ch0 s VAL 33 Cb 0.00 -2.03 0.00 0.00 0.56 0.00 0.00 36.38 34.91 1ch0 s VAL 33 CO -0.06 -0.53 0.00 0.61 -0.31 0.00 0.00 175.10 174.81 1ch0 n GLY 34 N -0.15 -1.47 0.08 2.32 0.00 -1.26 0.21 105.19 104.93 1ch0 n GLY 34 Ca -0.07 -1.56 0.12 0.00 0.00 0.00 0.00 46.02 44.51 1ch0 n GLY 34 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ch0 n SER 35 N -1.62 0.51 -1.34 1.61 3.41 -1.26 -2.64 113.62 112.29 1ch0 n SER 35 Ca 0.00 0.58 0.04 0.00 -0.26 0.00 0.00 58.87 59.23 1ch0 n SER 35 Cb 0.00 -0.71 0.29 0.00 -0.26 0.00 0.00 64.21 63.53 1ch0 n SER 35 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1ch0 n ASN 36 N -2.02 4.29 -3.67 4.04 5.15 -1.26 -5.00 115.26 116.79 1ch0 n ASN 36 Ca 0.04 -3.13 -0.28 0.00 -0.60 0.00 0.00 54.58 50.61 1ch0 n ASN 36 Cb 0.31 -0.62 0.03 0.00 -0.53 0.00 0.00 39.78 38.96 1ch0 n ASN 36 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1ch0 n SER 37 N -0.29 -5.42 -4.78 1.20 7.64 -1.08 -4.77 113.62 106.12 1ch0 n SER 37 Ca 0.28 -0.92 -0.39 0.00 1.01 0.00 0.00 58.87 58.85 1ch0 n SER 37 Cb 1.07 -3.06 -0.06 0.00 -1.01 0.00 0.00 64.21 61.15 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 -3.31 3.85 -0.01 1.43 2.02 0.13 -3.16 117.35 118.31 1ch0 s TYR 38 Ca 0.32 1.70 -0.21 0.00 -0.37 0.00 0.00 57.07 58.51 1ch0 s TYR 38 Cb -0.13 -2.83 -0.05 0.00 -0.40 0.00 0.00 41.96 38.55 1ch0 s TYR 38 CO 0.87 0.42 0.61 -1.25 -1.57 0.00 0.00 175.55 174.62 1ch0 s PRO 39 N -1.45 4.33 0.31 -1.71 0.04 -1.26 -0.16 135.00 135.10 1ch0 s PRO 39 Ca 0.41 0.75 0.08 0.00 0.04 0.00 0.00 61.00 62.28 1ch0 s PRO 39 Cb -0.22 -3.35 -0.04 0.00 0.04 0.00 0.00 34.50 30.93 1ch0 s PRO 39 CO 0.26 0.34 0.14 -3.38 0.04 0.00 0.00 177.00 174.40 1ch0 s HIS 40 N -0.09 2.79 0.38 0.56 -3.43 -1.19 -4.89 115.29 109.42 1ch0 s HIS 40 Ca 0.32 -0.30 -0.27 0.00 -0.80 0.00 0.00 55.06 54.00 1ch0 s HIS 40 Cb -0.18 -1.53 -0.10 0.00 -1.43 0.00 0.00 32.58 29.33 1ch0 s HIS 40 CO 0.17 0.40 1.40 -2.00 -2.00 0.00 0.00 174.74 172.72 1ch0 s GLU 41 N -3.83 4.08 -0.36 -0.38 2.12 -1.26 -0.74 118.70 118.33 1ch0 s GLU 41 Ca 0.36 2.39 -0.10 0.00 0.36 0.00 0.00 54.97 57.98 1ch0 s GLU 41 Cb -0.05 -2.91 0.02 0.00 0.26 0.00 0.00 34.13 31.46 1ch0 s GLU 41 CO 0.23 -0.49 0.19 0.12 -0.54 0.00 0.00 175.26 174.77 1ch0 s PHE 42 N -1.16 3.23 -0.17 5.30 5.36 0.17 -4.67 117.98 126.04 1ch0 s PHE 42 Ca 0.54 -0.92 0.29 0.00 -0.96 0.00 0.00 56.93 55.88 1ch0 s PHE 42 Cb -0.43 -2.41 1.01 0.00 -0.34 0.00 0.00 43.02 40.84 1ch0 s PHE 42 CO 0.57 -0.62 1.84 0.00 -1.46 0.00 0.00 175.22 175.55 1ch0 h ARG 43 N 8.41 0.00 -5.48 10.12 2.47 -1.94 -3.37 114.38 124.60 1ch0 h ARG 43 Ca -0.27 0.00 -0.31 0.00 -1.26 0.00 0.00 59.98 58.14 1ch0 h ARG 43 Cb 1.11 0.00 0.16 0.00 -1.65 0.00 0.00 29.97 29.59 1ch0 h ARG 43 CO 0.65 0.00 -0.74 -1.71 0.56 0.00 0.00 179.97 178.73 1ch0 n ASN 44 N -2.93 -2.31 0.24 7.04 5.15 -1.26 -4.91 115.26 116.28 1ch0 n ASN 44 Ca 0.02 -0.60 0.10 0.00 -0.60 0.00 0.00 54.58 53.50 1ch0 n ASN 44 Cb 0.37 -4.93 0.67 0.00 -0.53 0.00 0.00 39.78 35.36 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 -1.77 0.00 0.00 1.20 6.55 -2.00 -1.52 115.95 118.41 1ch0 h TRP 45 Ca -0.56 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.28 1ch0 h TRP 45 Cb 1.32 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.62 1ch0 h TRP 45 CO 0.41 0.00 0.00 1.04 -1.05 0.00 0.00 178.44 178.84 1ch0 n GLN 46 N -4.47 0.03 -2.83 0.49 6.02 -1.26 -4.94 117.38 110.42 1ch0 n GLN 46 Ca -0.02 0.03 -0.10 0.00 -0.01 0.00 0.00 57.00 56.90 1ch0 n GLN 46 Cb 0.13 -1.50 0.04 0.00 1.02 0.00 0.00 30.24 29.93 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 1.32 0.14 3.74 1.08 0.00 -0.57 -4.99 105.19 105.90 1ch0 n GLY 47 Ca 0.07 -0.22 -0.35 0.00 0.00 0.00 0.00 46.02 45.53 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 -3.16 2.27 -0.89 1.61 0.08 -1.26 -4.93 117.98 111.69 1ch0 s PHE 48 Ca 0.13 1.55 -0.13 0.00 0.12 0.00 0.00 56.93 58.60 1ch0 s PHE 48 Cb -0.06 -3.45 0.23 0.00 -0.57 0.00 0.00 43.02 39.18 1ch0 s PHE 48 CO 0.35 -2.34 0.85 0.34 -0.10 0.00 0.00 175.22 174.32 1ch0 s ASP 49 N -1.90 6.87 -0.04 1.36 2.15 -1.26 -5.03 116.67 118.83 1ch0 s ASP 49 Ca 0.75 -2.85 -0.17 0.00 0.43 0.00 0.00 52.55 50.71 1ch0 s ASP 49 Cb -0.29 -2.22 -0.05 0.00 -0.30 0.00 0.00 42.92 40.06 1ch0 s ASP 49 CO 0.40 -0.54 0.47 -0.36 -0.17 0.00 0.00 175.17 174.97 1ch0 s PHE 50 N -0.02 3.65 0.02 -5.34 0.08 -1.26 -5.01 117.98 110.10 1ch0 s PHE 50 Ca 0.21 1.01 -0.28 0.00 0.12 0.00 0.00 56.93 57.98 1ch0 s PHE 50 Cb -0.10 -2.45 -0.16 0.00 -0.57 0.00 0.00 43.02 39.75 1ch0 s PHE 50 CO -0.09 0.42 1.20 0.77 -0.10 0.00 0.00 175.22 177.43 1ch0 h SER 51 N 5.56 -0.81 -3.59 1.36 0.02 -1.93 -3.44 113.55 110.72 1ch0 h SER 51 Ca -0.47 0.01 -0.47 0.00 -0.84 0.00 0.00 61.79 60.02 1ch0 h SER 51 Cb 1.20 0.21 0.21 0.00 0.14 0.00 0.00 62.40 64.16 1ch0 h SER 51 CO 0.68 -0.45 0.02 1.33 -1.14 0.00 0.00 176.83 177.27 1ch0 n VAL 52 N -5.42 0.00 -2.79 2.27 0.24 -1.26 -5.00 118.33 106.36 1ch0 n VAL 52 Ca -0.12 -0.27 -0.23 0.00 -2.04 0.00 0.00 64.34 61.68 1ch0 n VAL 52 Cb 0.39 -0.97 0.02 0.00 -1.47 0.00 0.00 33.84 31.81 1ch0 n VAL 52 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1ch0 s SER 53 N -2.46 5.64 0.72 -1.34 1.04 -1.26 -5.06 113.70 110.99 1ch0 s SER 53 Ca 0.67 0.30 -0.06 0.00 0.48 0.00 0.00 55.95 57.34 1ch0 s SER 53 Cb -0.24 -1.41 0.08 0.00 0.10 0.00 0.00 66.02 64.55 1ch0 s SER 53 CO 0.63 -0.88 1.02 -0.94 0.98 0.00 0.00 173.24 174.05 1ch0 s SER 54 N -4.29 4.63 0.78 7.02 1.04 -1.26 -4.73 113.70 116.89 1ch0 s SER 54 Ca 0.51 0.30 -0.13 0.00 0.48 0.00 0.00 55.95 57.11 1ch0 s SER 54 Cb -0.10 -0.87 0.07 0.00 0.10 0.00 0.00 66.02 65.21 1ch0 s SER 54 CO 0.39 -1.70 1.17 -2.84 0.98 0.00 0.00 173.24 171.24 1ch0 s PRO 55 N -5.26 1.89 0.18 4.02 0.02 -1.26 -4.88 135.00 129.71 1ch0 s PRO 55 Ca 0.62 1.61 0.11 0.00 0.02 0.00 0.00 61.00 63.36 1ch0 s PRO 55 Cb -0.09 -1.82 -0.04 0.00 0.02 0.00 0.00 34.50 32.56 1ch0 s PRO 55 CO 0.45 -2.00 -0.21 0.71 -0.33 0.00 0.00 177.00 175.62 1ch0 s TYR 56 N -2.29 2.38 0.01 6.54 2.02 -1.26 -3.53 117.35 121.22 1ch0 s TYR 56 Ca 0.70 -0.33 0.04 0.00 -0.37 0.00 0.00 57.07 57.11 1ch0 s TYR 56 Cb -0.25 -1.19 -0.01 0.00 -0.40 0.00 0.00 41.96 40.10 1ch0 s TYR 56 CO 0.50 0.48 -0.12 0.71 -1.57 0.00 0.00 175.55 175.54 1ch0 s TYR 57 N -1.57 1.10 -0.10 2.71 2.02 0.36 0.46 117.35 122.32 1ch0 s TYR 57 Ca 0.21 -0.26 -0.12 0.00 -0.37 0.00 0.00 57.07 56.52 1ch0 s TYR 57 Cb -0.08 -0.69 -0.05 0.00 -0.40 0.00 0.00 41.96 40.74 1ch0 s TYR 57 CO 0.10 -0.00 0.29 -2.00 -1.57 0.00 0.00 175.55 172.37 1ch0 s GLU 58 N -0.62 3.95 -0.09 -0.62 2.12 0.08 -2.64 118.70 120.89 1ch0 s GLU 58 Ca 0.03 0.13 -0.04 0.00 0.36 0.00 0.00 54.97 55.44 1ch0 s GLU 58 Cb -0.06 -3.31 0.04 0.00 0.26 0.00 0.00 34.13 31.07 1ch0 s GLU 58 CO 0.00 0.51 0.21 -0.46 -0.54 0.00 0.00 175.26 174.98 1ch0 s TRP 59 N -0.35 -0.27 0.27 5.30 -0.11 -0.95 -3.26 118.94 119.56 1ch0 s TRP 59 Ca 0.18 0.69 -0.29 0.00 1.22 0.00 0.00 56.10 57.89 1ch0 s TRP 59 Cb -0.14 -0.01 -0.10 0.00 -1.50 0.00 0.00 33.47 31.73 1ch0 s TRP 59 CO 0.07 -0.22 1.26 -2.14 -4.62 0.00 0.00 176.95 171.30 1ch0 s PRO 60 N 1.31 4.43 -0.14 5.86 0.02 -1.26 -0.64 135.00 144.57 1ch0 s PRO 60 Ca -0.09 2.07 0.02 0.00 0.02 0.00 0.00 61.00 63.02 1ch0 s PRO 60 Cb -0.11 -3.14 0.01 0.00 0.02 0.00 0.00 34.50 31.27 1ch0 s PRO 60 CO -0.08 -0.13 -0.21 -1.50 -0.33 0.00 0.00 177.00 174.76 1ch0 s ILE 61 N -0.65 2.19 -0.06 2.83 2.07 -0.96 -4.47 121.20 122.14 1ch0 s ILE 61 Ca 0.51 -0.94 -0.12 0.00 -1.41 0.00 0.00 60.65 58.69 1ch0 s ILE 61 Cb -0.37 -1.88 -0.05 0.00 0.13 0.00 0.00 42.46 40.29 1ch0 s ILE 61 CO 0.45 0.54 0.31 -0.76 -1.91 0.00 0.00 174.94 173.57 1ch0 s LEU 62 N 0.76 4.42 0.42 8.50 1.43 -1.26 -4.43 118.68 128.52 1ch0 s LEU 62 Ca -0.08 0.75 0.21 0.00 -1.03 0.00 0.00 54.13 53.98 1ch0 s LEU 62 Cb -0.16 -2.40 0.93 0.00 0.03 0.00 0.00 46.19 44.59 1ch0 s LEU 62 CO -0.00 0.32 1.85 0.77 0.23 0.00 0.00 176.35 179.51 1ch0 h SER 63 N 5.08 0.00 0.19 2.29 4.64 -1.95 -2.38 113.55 121.42 1ch0 h SER 63 Ca -0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 1ch0 h SER 63 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1ch0 h SER 63 CO 0.62 0.28 0.00 -1.54 -0.87 0.00 0.00 176.83 175.32 1ch0 n SER 64 N -3.60 0.00 0.00 4.97 3.41 -1.26 -4.83 113.62 112.30 1ch0 n SER 64 Ca -0.01 0.19 0.00 0.00 -0.26 0.00 0.00 58.87 58.80 1ch0 n SER 64 Cb 0.41 -0.31 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 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 -0.50 2.23 3.90 5.00 0.00 -0.90 -5.03 105.19 109.89 1ch0 n GLY 65 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 1ch0 n GLY 65 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ch0 s ASP 66 N -3.10 5.49 -0.01 1.61 1.01 -1.26 -4.99 116.67 115.42 1ch0 s ASP 66 Ca 0.00 0.96 -0.22 0.00 0.71 0.00 0.00 52.55 54.00 1ch0 s ASP 66 Cb 0.00 -1.83 -0.05 0.00 1.01 0.00 0.00 42.92 42.05 1ch0 s ASP 66 CO 0.00 -1.24 0.65 -0.69 0.21 0.00 0.00 175.17 174.10 1ch0 s VAL 67 N -3.21 4.90 0.23 -1.27 1.01 -1.26 -4.13 120.40 116.66 1ch0 s VAL 67 Ca 0.56 1.36 -0.32 0.00 0.00 0.00 0.00 61.98 63.58 1ch0 s VAL 67 Cb -0.11 -3.99 -0.12 0.00 0.00 0.00 0.00 36.38 32.16 1ch0 s VAL 67 CO 0.49 0.38 1.65 0.00 0.00 0.00 0.00 175.10 177.61 1ch0 n TYR 68 N 2.94 2.68 -1.54 5.22 9.36 -1.26 -4.91 117.16 129.66 1ch0 n TYR 68 Ca -0.05 0.16 0.03 0.00 3.32 0.00 0.00 57.90 61.36 1ch0 n TYR 68 Cb 0.51 -2.62 0.04 0.00 -0.63 0.00 0.00 39.34 36.64 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 3.23 0.83 0.00 2.98 3.41 -1.26 -5.00 113.62 117.81 1ch0 n SER 69 Ca 0.14 -2.27 0.00 0.00 -0.26 0.00 0.00 58.87 56.48 1ch0 n SER 69 Cb 0.34 -0.25 0.00 0.00 -0.26 0.00 0.00 64.21 64.04 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 -0.48 0.92 0.00 5.00 0.00 -1.26 -4.69 105.19 104.69 1ch0 n GLY 70 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.41 0.99 3.66 -0.02 0.00 -1.26 -4.19 105.19 103.96 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 -0.45 0.00 0.00 0.00 173.32 172.87 1ch0 s SER 72 N -1.00 7.03 0.55 1.61 0.15 -1.26 -4.80 113.70 115.98 1ch0 s SER 72 Ca 0.00 1.28 0.32 0.00 0.70 0.00 0.00 55.95 58.26 1ch0 s SER 72 Cb 0.00 -2.51 1.52 0.00 -1.71 0.00 0.00 66.02 63.32 1ch0 s SER 72 CO 0.00 -0.60 2.06 1.55 1.20 0.00 0.00 173.24 177.45 1ch0 h PRO 73 N 7.48 0.00 0.00 5.44 0.13 -2.00 -3.50 132.00 139.56 1ch0 h PRO 73 Ca -0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 1ch0 h PRO 73 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1ch0 h PRO 73 CO 0.93 0.07 0.00 0.41 -0.23 0.00 0.00 178.00 179.19 1ch0 n GLY 74 N -0.37 -1.46 0.01 1.56 0.00 -1.26 -4.52 105.19 99.15 1ch0 n GLY 74 Ca -0.01 -1.29 0.11 0.00 0.00 0.00 0.00 46.02 44.83 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 1.19 3.16 -2.20 4.61 0.00 -1.26 -4.99 120.51 121.02 1ch0 n ALA 75 Ca 0.00 -0.53 -0.37 0.00 0.00 0.00 0.00 53.44 52.54 1ch0 n ALA 75 Cb 0.00 -0.76 -0.06 0.00 0.00 0.00 0.00 19.45 18.63 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 -4.25 7.02 0.01 0.00 1.01 -1.26 -1.62 116.67 117.59 1ch0 s ASP 76 Ca -0.05 1.30 -0.02 0.00 0.71 0.00 0.00 52.55 54.49 1ch0 s ASP 76 Cb 0.14 -2.37 -0.01 0.00 1.01 0.00 0.00 42.92 41.69 1ch0 s ASP 76 CO 0.90 0.13 0.03 -0.13 0.21 0.00 0.00 175.17 176.31 1ch0 s ARG 77 N -1.68 0.32 -0.07 8.23 1.81 0.23 -2.27 118.95 125.51 1ch0 s ARG 77 Ca 0.37 -0.43 0.02 0.00 -1.72 0.00 0.00 55.73 53.96 1ch0 s ARG 77 Cb -0.17 0.12 -0.03 0.00 -0.45 0.00 0.00 34.95 34.42 1ch0 s ARG 77 CO 0.20 -0.06 -0.11 0.14 -0.68 0.00 0.00 175.30 174.80 1ch0 s VAL 78 N -1.19 3.35 -0.15 3.52 -7.23 0.19 -1.49 120.40 117.40 1ch0 s VAL 78 Ca -0.13 -0.60 -0.02 0.00 -1.81 0.00 0.00 61.98 59.42 1ch0 s VAL 78 Cb -0.08 -2.36 -0.02 0.00 0.56 0.00 0.00 36.38 34.49 1ch0 s VAL 78 CO -0.00 0.58 -0.10 -0.69 -0.31 0.00 0.00 175.10 174.58 1ch0 s VAL 79 N -0.53 3.27 0.11 1.32 1.01 0.76 -2.25 120.40 124.10 1ch0 s VAL 79 Ca 0.08 -0.57 0.03 0.00 0.00 0.00 0.00 61.98 61.51 1ch0 s VAL 79 Cb -0.12 -2.41 -0.04 0.00 0.00 0.00 0.00 36.38 33.81 1ch0 s VAL 79 CO 0.02 0.50 -0.08 0.72 0.00 0.00 0.00 175.10 176.25 1ch0 s PHE 80 N 0.57 1.04 0.08 5.22 -0.12 -1.08 0.72 117.98 124.41 1ch0 s PHE 80 Ca -0.06 -0.81 0.01 0.00 -0.05 0.00 0.00 56.93 56.02 1ch0 s PHE 80 Cb -0.15 -0.57 0.01 0.00 -0.63 0.00 0.00 43.02 41.68 1ch0 s PHE 80 CO 0.03 -0.04 0.08 0.27 -0.05 0.00 0.00 175.22 175.50 1ch0 n ASN 81 N 0.03 0.83 0.29 1.98 0.23 -0.76 -0.49 115.26 117.36 1ch0 n ASN 81 Ca -0.12 -1.24 0.18 0.00 -0.53 0.00 0.00 54.58 52.87 1ch0 n ASN 81 Cb 0.60 -0.03 0.77 0.00 -2.08 0.00 0.00 39.78 39.05 1ch0 n ASN 81 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1ch0 h GLU 82 N 0.00 0.00 -0.17 -3.83 5.08 -1.85 -1.57 114.58 112.24 1ch0 h GLU 82 Ca -0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1ch0 h GLU 82 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1ch0 h GLU 82 CO 0.06 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.16 1ch0 n ASN 83 N -3.07 1.28 -3.26 1.42 3.02 -1.26 -4.89 115.26 108.51 1ch0 n ASN 83 Ca 0.00 -1.77 -0.20 0.00 -0.03 0.00 0.00 54.58 52.58 1ch0 n ASN 83 Cb 0.26 -0.11 0.07 0.00 -0.61 0.00 0.00 39.78 39.39 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 0.11 -5.27 -4.78 6.41 5.15 -0.59 -5.01 115.26 111.29 1ch0 n ASN 84 Ca 0.13 -0.50 -0.32 0.00 -0.60 0.00 0.00 54.58 53.29 1ch0 n ASN 84 Cb 0.24 -4.57 -0.07 0.00 -0.53 0.00 0.00 39.78 34.85 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 -6.01 3.03 -0.18 1.20 -0.21 -1.26 -4.90 119.66 111.32 1ch0 s GLN 85 Ca 0.44 -0.53 -0.29 0.00 0.02 0.00 0.00 55.36 55.00 1ch0 s GLN 85 Cb -0.19 -2.83 -0.00 0.00 1.00 0.00 0.00 33.01 30.98 1ch0 s GLN 85 CO 0.65 0.63 1.14 -1.17 -2.12 0.00 0.00 175.29 174.43 1ch0 s LEU 86 N -1.86 4.16 -0.10 2.90 2.96 -1.26 -1.83 118.68 123.65 1ch0 s LEU 86 Ca 0.24 1.55 0.07 0.00 -0.22 0.00 0.00 54.13 55.77 1ch0 s LEU 86 Cb -0.12 -3.54 -0.24 0.00 0.50 0.00 0.00 46.19 42.79 1ch0 s LEU 86 CO 0.15 -0.69 0.44 0.00 -1.32 0.00 0.00 176.35 174.94 1ch0 n ALA 87 N 6.27 1.32 0.00 5.97 0.00 0.22 -4.80 120.51 129.49 1ch0 n ALA 87 Ca 0.12 -0.81 0.00 0.00 0.00 0.00 0.00 53.44 52.75 1ch0 n ALA 87 Cb 0.46 -0.67 0.00 0.00 0.00 0.00 0.00 19.45 19.24 1ch0 n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ch0 n GLY 88 N 1.76 0.62 3.03 0.00 0.00 -1.04 -4.64 105.19 104.91 1ch0 n GLY 88 Ca -0.25 -1.06 -0.31 0.00 0.00 0.00 0.00 46.02 44.40 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 1.73 0.30 1.61 1.01 -1.26 -0.17 120.40 121.62 1ch0 s VAL 89 Ca 0.00 -0.94 0.06 0.00 0.00 0.00 0.00 61.98 61.10 1ch0 s VAL 89 Cb 0.00 -1.71 -0.06 0.00 0.00 0.00 0.00 36.38 34.60 1ch0 s VAL 89 CO 0.00 0.29 -0.02 0.27 0.00 0.00 0.00 175.10 175.64 1ch0 s ILE 90 N 1.38 1.58 0.07 2.22 -4.36 -0.55 -0.62 121.20 120.91 1ch0 s ILE 90 Ca 0.01 -2.08 -0.12 0.00 -0.26 0.00 0.00 60.65 58.20 1ch0 s ILE 90 Cb -0.15 -2.59 0.01 0.00 1.25 0.00 0.00 42.46 40.98 1ch0 s ILE 90 CO -0.09 -0.20 0.27 0.28 0.24 0.00 0.00 174.94 175.44 1ch0 s THR 91 N -3.04 0.10 -0.16 8.37 -1.32 -0.36 -0.60 115.64 118.62 1ch0 s THR 91 Ca 0.32 -0.84 0.16 0.00 -1.21 0.00 0.00 61.69 60.12 1ch0 s THR 91 Cb 0.06 -1.08 0.00 0.00 -1.51 0.00 0.00 72.50 69.97 1ch0 s THR 91 CO 0.13 -0.46 1.22 0.45 -2.21 0.00 0.00 174.62 173.75 1ch0 h HIS 92 N 2.99 0.00 -2.31 9.09 3.86 -1.53 -0.73 115.15 126.52 1ch0 h HIS 92 Ca -0.33 0.00 -0.55 0.00 -1.16 0.00 0.00 60.37 58.34 1ch0 h HIS 92 Cb 1.21 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.69 1ch0 h HIS 92 CO 0.43 0.47 1.28 0.99 0.86 0.00 0.00 177.93 181.97 1ch0 s THR 93 N -2.99 3.08 0.00 2.45 2.01 -1.26 -1.96 115.64 116.97 1ch0 s THR 93 Ca 0.02 0.09 0.00 0.00 0.31 0.00 0.00 61.69 62.11 1ch0 s THR 93 Cb 0.08 -3.07 0.00 0.00 0.01 0.00 0.00 72.50 69.52 1ch0 s THR 93 CO 0.77 -0.02 0.00 0.61 -0.69 0.00 0.00 174.62 175.29 1ch0 n GLY 94 N 4.82 0.55 3.96 4.40 0.00 -1.26 -4.75 105.19 112.91 1ch0 n GLY 94 Ca 0.22 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.14 3.91 -0.10 4.61 0.00 -0.83 -4.99 121.76 122.22 1ch0 s ALA 95 Ca 0.00 -1.17 -0.04 0.00 0.00 0.00 0.00 51.96 50.75 1ch0 s ALA 95 Cb 0.00 -1.89 -0.04 0.00 0.00 0.00 0.00 23.12 21.19 1ch0 s ALA 95 CO 0.00 0.00 0.07 -1.12 0.00 0.00 0.00 175.76 174.71 1ch0 s SER 96 N -4.08 5.80 0.71 0.00 0.01 -1.26 -4.93 113.70 109.96 1ch0 s SER 96 Ca 0.41 0.30 0.00 0.00 1.31 0.00 0.00 55.95 57.97 1ch0 s SER 96 Cb -0.09 -1.76 0.00 0.00 0.21 0.00 0.00 66.02 64.37 1ch0 s SER 96 CO 0.33 0.39 0.00 0.61 0.41 0.00 0.00 173.24 174.98 1ch0 n GLY 97 N 2.03 0.26 2.47 3.44 0.00 -1.26 -3.75 105.19 108.39 1ch0 n GLY 97 Ca -0.19 -0.96 -0.40 0.00 0.00 0.00 0.00 46.02 44.47 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 -2.12 7.03 -3.98 1.61 5.15 -1.26 -4.85 115.26 116.84 1ch0 n ASN 98 Ca 0.00 -2.70 -0.17 0.00 -0.60 0.00 0.00 54.58 51.11 1ch0 n ASN 98 Cb 0.00 -1.58 -0.09 0.00 -0.53 0.00 0.00 39.78 37.58 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 2.37 1.19 0.24 1.20 0.01 -1.25 -5.10 114.94 113.61 1ch0 s ASN 99 Ca 0.61 -1.53 0.05 0.00 -0.71 0.00 0.00 52.86 51.27 1ch0 s ASN 99 Cb 0.16 0.39 -0.05 0.00 0.41 0.00 0.00 41.25 42.16 1ch0 s ASN 99 CO -0.07 -0.89 -0.03 -0.36 -1.51 0.00 0.00 177.10 174.24 1ch0 s PHE 100 N -3.73 1.66 0.09 2.20 0.40 -1.26 -4.48 117.98 112.85 1ch0 s PHE 100 Ca 0.37 -0.83 0.05 0.00 -0.60 0.00 0.00 56.93 55.92 1ch0 s PHE 100 Cb 0.05 -0.94 -0.03 0.00 0.51 0.00 0.00 43.02 42.61 1ch0 s PHE 100 CO 0.17 0.08 -0.13 0.14 0.70 0.00 0.00 175.22 176.18 1ch0 s VAL 101 N -3.28 1.13 0.31 -0.44 -7.23 -0.28 -4.91 120.40 105.71 1ch0 s VAL 101 Ca 0.28 -1.46 -0.27 0.00 -1.81 0.00 0.00 61.98 58.72 1ch0 s VAL 101 Cb 0.05 -1.22 -0.09 0.00 0.56 0.00 0.00 36.38 35.67 1ch0 s VAL 101 CO 0.09 -0.33 1.00 -1.61 -0.31 0.00 0.00 175.10 173.94 1ch0 s GLU 102 N -2.13 4.58 -0.05 4.82 2.02 -1.26 -1.22 118.70 125.45 1ch0 s GLU 102 Ca 0.02 1.52 -0.30 0.00 0.02 0.00 0.00 54.97 56.23 1ch0 s GLU 102 Cb -0.08 -2.95 -0.02 0.00 0.10 0.00 0.00 34.13 31.17 1ch0 s GLU 102 CO 0.02 0.24 1.05 0.00 0.02 0.00 0.00 175.26 176.59