#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 3.13 0.00 -3.62 0.00 3.32 -1.43 -3.46 116.42 114.37 1ch0 h ASP 3 Ca 0.00 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.81 1ch0 h ASP 3 Cb 0.00 0.00 -0.30 0.00 0.22 0.00 0.00 39.33 39.25 1ch0 h ASP 3 CO 0.00 0.37 -0.65 -0.31 -1.72 0.00 0.00 179.24 176.93 1ch0 s TYR 4 N -3.07 -0.07 -0.24 4.55 2.02 -0.54 -4.97 117.35 115.03 1ch0 s TYR 4 Ca -0.00 0.24 0.00 0.00 -0.37 0.00 0.00 57.07 56.94 1ch0 s TYR 4 Cb 0.08 -0.07 0.06 0.00 -0.40 0.00 0.00 41.96 41.64 1ch0 s TYR 4 CO 0.78 -0.08 -0.03 0.99 -1.57 0.00 0.00 175.55 175.65 1ch0 s THR 5 N 0.57 1.40 -0.43 -0.71 2.01 -1.26 -0.52 115.64 116.70 1ch0 s THR 5 Ca -0.04 -1.20 -0.09 0.00 0.31 0.00 0.00 61.69 60.66 1ch0 s THR 5 Cb -0.06 -1.74 0.09 0.00 0.01 0.00 0.00 72.50 70.80 1ch0 s THR 5 CO -0.02 -0.18 0.28 0.00 -0.69 0.00 0.00 174.62 174.01 1ch0 n GLY 7 N 4.90 2.28 0.38 0.00 0.00 -1.26 -1.14 105.19 110.35 1ch0 n GLY 7 Ca -0.09 0.04 0.06 0.00 0.00 0.00 0.00 46.02 46.03 1ch0 n GLY 7 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ch0 n SER 8 N 10.31 1.67 -4.72 1.61 3.41 -1.26 -4.96 113.62 119.68 1ch0 n SER 8 Ca 0.00 -1.33 -0.41 0.00 -0.26 0.00 0.00 58.87 56.87 1ch0 n SER 8 Cb 0.00 0.26 -0.04 0.00 -0.26 0.00 0.00 64.21 64.17 1ch0 n SER 8 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1ch0 s ASN 9 N -1.33 7.30 -0.23 4.04 0.01 -0.29 -5.02 114.94 119.41 1ch0 s ASN 9 Ca 0.12 1.56 -0.05 0.00 -0.71 0.00 0.00 52.86 53.78 1ch0 s ASN 9 Cb 0.10 -2.53 -0.02 0.00 0.41 0.00 0.00 41.25 39.21 1ch0 s ASN 9 CO 0.24 -0.16 0.01 0.00 -1.51 0.00 0.00 177.10 175.68 1ch0 s TYR 11 N 1.49 2.46 0.55 0.00 2.02 0.33 -4.99 117.35 119.21 1ch0 s TYR 11 Ca 0.06 -0.57 -0.01 0.00 -0.37 0.00 0.00 57.07 56.17 1ch0 s TYR 11 Cb -0.15 -1.59 0.02 0.00 -0.40 0.00 0.00 41.96 39.85 1ch0 s TYR 11 CO 0.00 -0.12 0.80 -1.54 -1.57 0.00 0.00 175.55 173.13 1ch0 s SER 12 N -0.34 5.41 0.51 2.29 1.04 -1.26 -1.08 113.70 120.28 1ch0 s SER 12 Ca 0.02 0.27 0.21 0.00 0.48 0.00 0.00 55.95 56.93 1ch0 s SER 12 Cb -0.12 -1.23 1.34 0.00 0.10 0.00 0.00 66.02 66.10 1ch0 s SER 12 CO 0.02 -1.08 2.09 0.28 0.98 0.00 0.00 173.24 175.53 1ch0 h SER 13 N 0.02 0.00 -0.33 7.02 0.02 -1.98 -2.16 113.55 116.14 1ch0 h SER 13 Ca -0.44 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.35 1ch0 h SER 13 Cb 1.28 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.81 1ch0 h SER 13 CO 0.56 0.10 -0.41 -1.28 -1.14 0.00 0.00 176.83 174.67 1ch0 h SER 14 N 0.00 0.95 -0.63 3.07 0.87 -1.99 -1.09 113.55 114.73 1ch0 h SER 14 Ca -0.00 -0.44 -0.03 0.00 -1.23 0.00 0.00 61.79 60.08 1ch0 h SER 14 Cb 0.22 -0.27 -0.03 0.00 -0.44 0.00 0.00 62.40 61.88 1ch0 h SER 14 CO 0.01 1.23 0.27 0.44 -0.53 0.00 0.00 176.83 178.26 1ch0 h ASP 15 N 0.72 0.86 -0.41 6.23 3.32 -1.78 -1.95 116.42 123.40 1ch0 h ASP 15 Ca 0.05 -0.16 -0.03 0.00 0.02 0.00 0.00 57.03 56.91 1ch0 h ASP 15 Cb 1.00 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.31 1ch0 h ASP 15 CO 0.10 0.78 0.12 0.58 -1.72 0.00 0.00 179.24 179.10 1ch0 h VAL 16 N 0.88 1.22 -0.23 -1.35 2.07 -1.36 -1.63 116.25 115.86 1ch0 h VAL 16 Ca 0.21 -0.74 -0.00 0.00 0.82 0.00 0.00 66.70 67.00 1ch0 h VAL 16 Cb 0.17 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 1ch0 h VAL 16 CO -0.02 0.26 0.14 0.28 0.02 0.00 0.00 177.57 178.25 1ch0 h SER 17 N 0.52 0.28 -0.25 0.57 0.02 -1.03 -0.20 113.55 113.46 1ch0 h SER 17 Ca 0.13 -0.05 0.02 0.00 -0.84 0.00 0.00 61.79 61.05 1ch0 h SER 17 Cb 0.28 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.72 1ch0 h SER 17 CO -0.00 0.25 0.12 0.74 -1.14 0.00 0.00 176.83 176.79 1ch0 h THR 18 N 0.28 0.99 -0.69 -2.27 2.02 -1.28 -0.13 112.91 111.83 1ch0 h THR 18 Ca 0.08 -0.09 -0.00 0.00 0.77 0.00 0.00 66.41 67.17 1ch0 h THR 18 Cb 0.02 0.71 -0.03 0.00 -1.74 0.00 0.00 68.15 67.11 1ch0 h THR 18 CO -0.02 0.05 0.42 0.00 0.37 0.00 0.00 175.52 176.34 1ch0 h ALA 19 N 1.13 0.88 -0.50 6.16 0.00 -1.09 -2.58 119.26 123.26 1ch0 h ALA 19 Ca 0.10 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1ch0 h ALA 19 Cb 0.03 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1ch0 h ALA 19 CO -0.07 0.35 0.23 0.37 0.00 0.00 0.00 179.25 180.13 1ch0 h GLN 20 N 0.94 0.72 -0.61 0.00 4.15 -0.62 -1.46 115.11 118.24 1ch0 h GLN 20 Ca 0.25 -0.11 0.01 0.00 0.77 0.00 0.00 58.65 59.57 1ch0 h GLN 20 Cb -0.04 -0.13 -0.03 0.00 0.21 0.00 0.00 27.48 27.49 1ch0 h GLN 20 CO -0.05 0.61 0.40 0.00 -1.93 0.00 0.00 178.83 177.86 1ch0 h ALA 21 N 1.07 0.79 -0.38 3.38 0.00 -0.80 0.19 119.26 123.51 1ch0 h ALA 21 Ca 0.17 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 1ch0 h ALA 21 Cb 0.14 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1ch0 h ALA 21 CO -0.02 0.17 0.06 0.00 0.00 0.00 0.00 179.25 179.47 1ch0 h ALA 22 N 1.24 0.51 -0.56 0.00 0.00 -1.32 -1.00 119.26 118.13 1ch0 h ALA 22 Ca 0.23 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1ch0 h ALA 22 Cb -0.05 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1ch0 h ALA 22 CO -0.07 0.22 0.21 0.78 0.00 0.00 0.00 179.25 180.39 1ch0 h GLY 23 N 0.48 0.91 1.43 0.00 0.00 -0.83 -2.91 103.07 102.14 1ch0 h GLY 23 Ca 0.12 -0.51 -0.10 0.00 0.00 0.00 0.00 47.33 46.83 1ch0 h GLY 23 CO 0.01 0.48 -0.22 -1.82 0.00 0.00 0.00 176.54 174.99 1ch0 h TYR 24 N 0.77 0.75 -0.19 5.60 3.20 -0.50 -2.22 116.97 124.38 1ch0 h TYR 24 Ca 0.18 -0.16 0.01 0.00 3.14 0.00 0.00 58.73 61.90 1ch0 h TYR 24 Cb 0.22 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.30 1ch0 h TYR 24 CO 0.01 0.83 0.10 -0.22 -1.64 0.00 0.00 178.16 177.24 1ch0 h LYS 25 N 0.59 0.21 -0.81 1.82 3.64 -1.06 -0.67 116.57 120.29 1ch0 h LYS 25 Ca 0.09 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.42 1ch0 h LYS 25 Cb 0.69 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.42 1ch0 h LYS 25 CO 0.05 0.14 0.39 -0.07 -2.27 0.00 0.00 179.45 177.69 1ch0 h LEU 26 N 0.22 1.06 -0.55 5.20 3.38 -1.40 -2.35 115.31 120.87 1ch0 h LEU 26 Ca 0.07 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1ch0 h LEU 26 Cb -0.00 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 1ch0 h LEU 26 CO -0.04 0.90 0.30 -0.74 0.09 0.00 0.00 178.44 178.95 1ch0 h HIS 27 N 1.14 0.75 0.00 1.13 2.76 -0.92 0.02 115.15 120.04 1ch0 h HIS 27 Ca 0.28 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.43 1ch0 h HIS 27 Cb 0.12 -0.24 0.00 0.00 1.55 0.00 0.00 27.41 28.84 1ch0 h HIS 27 CO 0.01 0.55 0.00 1.05 -1.30 0.00 0.00 177.93 178.24 1ch0 h GLU 28 N 0.73 0.00 -0.00 5.26 4.11 -0.92 -2.65 114.58 121.11 1ch0 h GLU 28 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.62 1ch0 h GLU 28 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1ch0 h GLU 28 CO -0.03 0.00 -0.57 -0.25 0.07 0.00 0.00 179.01 178.23 1ch0 n ASP 29 N -3.00 0.87 -0.28 3.06 8.00 -0.90 -4.96 116.55 119.33 1ch0 n ASP 29 Ca 0.02 -0.67 -0.03 0.00 0.71 0.00 0.00 54.79 54.82 1ch0 n ASP 29 Cb 0.39 0.43 -0.01 0.00 -0.02 0.00 0.00 41.12 41.91 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 1.46 0.44 3.77 0.44 0.00 -0.37 -5.05 105.19 105.88 1ch0 n GLY 30 Ca 0.07 -0.86 -0.24 0.00 0.00 0.00 0.00 46.02 44.99 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 -3.12 2.78 0.04 1.61 2.02 -0.15 -5.02 118.70 116.86 1ch0 s GLU 31 Ca 0.00 -1.05 -0.05 0.00 0.02 0.00 0.00 54.97 53.88 1ch0 s GLU 31 Cb 0.00 -2.51 -0.01 0.00 0.10 0.00 0.00 34.13 31.71 1ch0 s GLU 31 CO 0.00 0.43 0.09 0.95 0.02 0.00 0.00 175.26 176.74 1ch0 s THR 32 N -2.00 0.14 0.08 3.63 -4.23 -1.26 -4.29 115.64 107.70 1ch0 s THR 32 Ca 0.31 -1.12 0.03 0.00 -1.18 0.00 0.00 61.69 59.73 1ch0 s THR 32 Cb -0.08 -0.91 -0.03 0.00 1.34 0.00 0.00 72.50 72.82 1ch0 s THR 32 CO 0.23 -0.62 -0.08 0.68 -0.54 0.00 0.00 174.62 174.29 1ch0 s VAL 33 N -2.64 0.73 0.00 2.29 -7.23 0.23 -4.87 120.40 108.90 1ch0 s VAL 33 Ca -0.05 -1.51 0.00 0.00 -1.81 0.00 0.00 61.98 58.62 1ch0 s VAL 33 Cb -0.01 -1.17 0.00 0.00 0.56 0.00 0.00 36.38 35.76 1ch0 s VAL 33 CO -0.05 -0.57 0.00 0.61 -0.31 0.00 0.00 175.10 174.78 1ch0 n GLY 34 N 0.74 -0.78 0.29 2.32 0.00 -1.26 -1.28 105.19 105.23 1ch0 n GLY 34 Ca -0.18 -1.59 0.06 0.00 0.00 0.00 0.00 46.02 44.31 1ch0 n GLY 34 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1ch0 h SER 35 N 0.00 0.28 -0.39 1.61 0.02 -1.88 -1.66 113.55 111.53 1ch0 h SER 35 Ca 0.00 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1ch0 h SER 35 Cb 0.00 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.47 1ch0 h SER 35 CO 0.00 0.20 0.00 -3.20 -1.14 0.00 0.00 176.83 172.69 1ch0 n ASN 36 N -4.50 2.79 -3.42 3.07 4.05 -1.26 -4.97 115.26 111.02 1ch0 n ASN 36 Ca 0.01 -2.20 -0.17 0.00 0.45 0.00 0.00 54.58 52.68 1ch0 n ASN 36 Cb 0.10 -0.40 0.02 0.00 1.23 0.00 0.00 39.78 40.73 1ch0 n ASN 36 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 177.26 173.01 1ch0 n SER 37 N 0.60 -6.31 -4.82 1.20 7.64 -0.63 -4.81 113.62 106.49 1ch0 n SER 37 Ca 0.15 -0.62 -0.36 0.00 1.01 0.00 0.00 58.87 59.04 1ch0 n SER 37 Cb 0.52 -3.95 -0.06 0.00 -1.01 0.00 0.00 64.21 59.71 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 -3.18 3.66 0.23 1.43 2.02 -0.40 -3.39 117.35 117.72 1ch0 s TYR 38 Ca 0.20 1.26 -0.20 0.00 -0.37 0.00 0.00 57.07 57.97 1ch0 s TYR 38 Cb -0.06 -2.52 -0.08 0.00 -0.40 0.00 0.00 41.96 38.90 1ch0 s TYR 38 CO 0.81 0.41 0.74 -1.25 -1.57 0.00 0.00 175.55 174.69 1ch0 s PRO 39 N -1.82 4.26 0.19 -1.71 0.04 -1.26 -0.60 135.00 134.10 1ch0 s PRO 39 Ca 0.39 0.89 0.09 0.00 0.04 0.00 0.00 61.00 62.40 1ch0 s PRO 39 Cb -0.17 -2.85 -0.04 0.00 0.04 0.00 0.00 34.50 31.48 1ch0 s PRO 39 CO 0.20 0.37 -0.18 -3.38 0.04 0.00 0.00 177.00 174.06 1ch0 s HIS 40 N -1.55 1.89 0.30 0.56 -3.43 -1.16 -4.91 115.29 106.99 1ch0 s HIS 40 Ca 0.44 -0.46 -0.29 0.00 -0.80 0.00 0.00 55.06 53.94 1ch0 s HIS 40 Cb -0.16 -0.91 -0.13 0.00 -1.43 0.00 0.00 32.58 29.95 1ch0 s HIS 40 CO 0.21 0.40 1.33 -1.91 -2.00 0.00 0.00 174.74 172.77 1ch0 n GLU 41 N 0.04 2.09 -3.75 -0.38 2.13 -1.26 -0.35 120.64 119.17 1ch0 n GLU 41 Ca -0.11 0.74 -0.37 0.00 0.66 0.00 0.00 57.16 58.07 1ch0 n GLU 41 Cb 0.58 -2.34 -0.12 0.00 0.27 0.00 0.00 31.44 29.82 1ch0 n GLU 41 CO 0.00 0.00 0.00 0.12 -0.41 0.00 0.00 177.13 176.84 1ch0 s PHE 42 N -0.71 3.16 -0.90 4.31 5.36 0.44 -4.68 117.98 124.96 1ch0 s PHE 42 Ca 0.60 -1.01 0.25 0.00 -0.96 0.00 0.00 56.93 55.81 1ch0 s PHE 42 Cb -0.60 -2.27 1.01 0.00 -0.34 0.00 0.00 43.02 40.83 1ch0 s PHE 42 CO 0.58 -0.59 1.80 0.54 -1.46 0.00 0.00 175.22 176.08 1ch0 n ARG 43 N 4.87 0.07 -3.70 10.12 5.12 -1.26 -4.30 116.66 127.58 1ch0 n ARG 43 Ca -0.14 0.13 -0.23 0.00 -1.93 0.00 0.00 57.85 55.68 1ch0 n ARG 43 Cb 0.48 -1.60 0.04 0.00 -1.16 0.00 0.00 32.46 30.22 1ch0 n ARG 43 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1ch0 n ASN 44 N -1.73 -2.34 -0.27 0.55 5.15 -1.26 -4.87 115.26 110.48 1ch0 n ASN 44 Ca 0.06 -0.77 0.07 0.00 -0.60 0.00 0.00 54.58 53.34 1ch0 n ASN 44 Cb 0.32 -4.22 0.22 0.00 -0.53 0.00 0.00 39.78 35.57 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 -1.97 0.50 0.00 1.20 6.55 -2.00 -0.47 115.95 119.75 1ch0 h TRP 45 Ca -0.60 0.04 0.00 0.00 0.95 0.00 0.00 58.89 59.28 1ch0 h TRP 45 Cb 1.36 -0.10 0.00 0.00 -0.86 0.00 0.00 29.16 29.56 1ch0 h TRP 45 CO 0.49 -0.00 0.00 1.04 -1.05 0.00 0.00 178.44 178.92 1ch0 n GLN 46 N -5.05 0.22 -3.18 0.49 6.02 -1.26 -4.90 117.38 109.73 1ch0 n GLN 46 Ca 0.16 0.14 -0.15 0.00 -0.01 0.00 0.00 57.00 57.14 1ch0 n GLN 46 Cb 0.49 -1.50 0.06 0.00 1.02 0.00 0.00 30.24 30.31 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 0.09 -0.06 3.73 1.08 0.00 -0.19 -4.96 105.19 104.88 1ch0 n GLY 47 Ca 0.08 -0.06 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 1ch0 n GLY 47 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1ch0 n PHE 48 N -3.95 2.07 -2.27 1.61 3.72 -1.26 -4.87 117.46 112.51 1ch0 n PHE 48 Ca -0.04 0.42 -0.42 0.00 -0.05 0.00 0.00 57.45 57.36 1ch0 n PHE 48 Cb 0.56 -2.30 0.00 0.00 -0.94 0.00 0.00 39.48 36.80 1ch0 n PHE 48 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1ch0 n ASP 49 N -1.62 5.27 -4.74 4.37 2.03 -1.26 -4.99 116.55 115.61 1ch0 n ASP 49 Ca 0.14 -3.10 -0.41 0.00 0.52 0.00 0.00 54.79 51.95 1ch0 n ASP 49 Cb 0.47 -1.48 -0.04 0.00 -0.72 0.00 0.00 41.12 39.35 1ch0 n ASP 49 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 1ch0 s PHE 50 N 0.41 3.69 -0.06 -0.67 0.08 -1.26 -4.95 117.98 115.22 1ch0 s PHE 50 Ca 0.41 1.68 0.13 0.00 0.12 0.00 0.00 56.93 59.27 1ch0 s PHE 50 Cb 0.11 -3.19 -0.07 0.00 -0.57 0.00 0.00 43.02 39.29 1ch0 s PHE 50 CO -0.01 -0.29 1.23 0.66 -0.10 0.00 0.00 175.22 176.71 1ch0 h SER 51 N 5.19 0.00 -4.19 1.36 4.64 -1.94 -3.46 113.55 115.14 1ch0 h SER 51 Ca -0.44 0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 60.40 1ch0 h SER 51 Cb 1.21 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.32 1ch0 h SER 51 CO 0.72 0.70 0.37 0.68 -0.87 0.00 0.00 176.83 178.43 1ch0 s VAL 52 N -2.85 4.58 0.53 0.95 -7.23 -1.26 -5.03 120.40 110.09 1ch0 s VAL 52 Ca 0.01 1.12 -0.19 0.00 -1.81 0.00 0.00 61.98 61.11 1ch0 s VAL 52 Cb 0.08 -3.75 -0.06 0.00 0.56 0.00 0.00 36.38 33.21 1ch0 s VAL 52 CO 0.78 -0.77 1.10 -0.44 -0.31 0.00 0.00 175.10 175.46 1ch0 s SER 53 N -3.28 5.88 0.81 4.85 0.01 -1.26 -5.04 113.70 115.66 1ch0 s SER 53 Ca 0.58 2.07 -0.12 0.00 1.31 0.00 0.00 55.95 59.79 1ch0 s SER 53 Cb -0.10 -2.57 0.09 0.00 0.21 0.00 0.00 66.02 63.65 1ch0 s SER 53 CO 0.36 -1.11 1.18 -0.94 0.41 0.00 0.00 173.24 173.14 1ch0 s SER 54 N -1.94 4.42 0.77 2.44 1.04 -1.26 -4.74 113.70 114.43 1ch0 s SER 54 Ca 0.70 0.71 -0.11 0.00 0.48 0.00 0.00 55.95 57.74 1ch0 s SER 54 Cb -0.21 -1.18 0.05 0.00 0.10 0.00 0.00 66.02 64.79 1ch0 s SER 54 CO 0.26 -1.95 1.09 -2.84 0.98 0.00 0.00 173.24 170.78 1ch0 s PRO 55 N -5.58 2.30 0.15 4.02 0.02 -1.26 -4.86 135.00 129.79 1ch0 s PRO 55 Ca 0.63 1.16 0.09 0.00 0.02 0.00 0.00 61.00 62.90 1ch0 s PRO 55 Cb -0.10 -1.90 -0.04 0.00 0.02 0.00 0.00 34.50 32.47 1ch0 s PRO 55 CO 0.49 -1.61 -0.15 0.71 -0.33 0.00 0.00 177.00 176.11 1ch0 s TYR 56 N -2.90 2.55 -0.03 6.54 2.02 -1.26 -3.52 117.35 120.75 1ch0 s TYR 56 Ca 0.61 -0.25 0.02 0.00 -0.37 0.00 0.00 57.07 57.08 1ch0 s TYR 56 Cb -0.17 -1.29 0.01 0.00 -0.40 0.00 0.00 41.96 40.10 1ch0 s TYR 56 CO 0.56 0.46 -0.08 0.71 -1.57 0.00 0.00 175.55 175.62 1ch0 s TYR 57 N -1.46 0.93 -0.13 2.71 2.02 0.46 -0.42 117.35 121.46 1ch0 s TYR 57 Ca 0.21 -0.24 -0.19 0.00 -0.37 0.00 0.00 57.07 56.48 1ch0 s TYR 57 Cb -0.09 -0.68 -0.04 0.00 -0.40 0.00 0.00 41.96 40.74 1ch0 s TYR 57 CO 0.12 -0.12 0.51 -2.00 -1.57 0.00 0.00 175.55 172.50 1ch0 s GLU 58 N 0.32 4.31 -0.07 -0.62 2.12 0.53 -2.31 118.70 122.98 1ch0 s GLU 58 Ca -0.05 0.49 -0.03 0.00 0.36 0.00 0.00 54.97 55.74 1ch0 s GLU 58 Cb -0.10 -3.47 0.04 0.00 0.26 0.00 0.00 34.13 30.86 1ch0 s GLU 58 CO 0.01 0.07 0.14 -0.46 -0.54 0.00 0.00 175.26 174.47 1ch0 s TRP 59 N 0.90 -0.15 0.33 5.30 -0.11 -0.81 -3.00 118.94 121.40 1ch0 s TRP 59 Ca 0.27 0.48 -0.29 0.00 1.22 0.00 0.00 56.10 57.78 1ch0 s TRP 59 Cb -0.15 -0.14 -0.10 0.00 -1.50 0.00 0.00 33.47 31.57 1ch0 s TRP 59 CO 0.11 -0.18 1.38 -2.14 -4.62 0.00 0.00 176.95 171.49 1ch0 s PRO 60 N 1.42 4.27 -0.13 5.86 0.02 -1.26 -0.23 135.00 144.95 1ch0 s PRO 60 Ca -0.06 2.33 0.03 0.00 0.02 0.00 0.00 61.00 63.31 1ch0 s PRO 60 Cb -0.12 -3.05 0.01 0.00 0.02 0.00 0.00 34.50 31.36 1ch0 s PRO 60 CO -0.06 -0.32 -0.21 -1.50 -0.33 0.00 0.00 177.00 174.58 1ch0 s ILE 61 N -0.93 1.94 0.04 2.83 2.07 -1.04 -4.52 121.20 121.58 1ch0 s ILE 61 Ca 0.52 -0.91 -0.09 0.00 -1.41 0.00 0.00 60.65 58.76 1ch0 s ILE 61 Cb -0.42 -1.72 -0.05 0.00 0.13 0.00 0.00 42.46 40.40 1ch0 s ILE 61 CO 0.54 0.53 0.34 -0.76 -1.91 0.00 0.00 174.94 173.67 1ch0 s LEU 62 N 0.77 4.37 0.50 8.50 1.43 -1.26 -4.48 118.68 128.51 1ch0 s LEU 62 Ca -0.09 0.70 0.29 0.00 -1.03 0.00 0.00 54.13 54.00 1ch0 s LEU 62 Cb -0.16 -2.80 1.02 0.00 0.03 0.00 0.00 46.19 44.28 1ch0 s LEU 62 CO -0.00 0.22 1.86 0.77 0.23 0.00 0.00 176.35 179.43 1ch0 h SER 63 N 3.94 0.00 0.25 2.29 4.64 -1.94 -2.67 113.55 120.05 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 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1ch0 h SER 63 CO 0.66 0.04 0.00 -1.54 -0.87 0.00 0.00 176.83 175.12 1ch0 n SER 64 N -3.14 0.00 0.00 4.97 3.41 -1.26 -4.86 113.62 112.74 1ch0 n SER 64 Ca 0.01 -0.28 0.00 0.00 -0.26 0.00 0.00 58.87 58.34 1ch0 n SER 64 Cb 0.39 -0.18 0.00 0.00 -0.26 0.00 0.00 64.21 64.16 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 0.49 2.54 3.80 5.00 0.00 -1.01 -5.02 105.19 110.98 1ch0 n GLY 65 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.42 5.35 0.05 1.61 1.11 -1.26 -4.96 116.67 116.14 1ch0 s ASP 66 Ca 0.00 1.80 -0.24 0.00 0.18 0.00 0.00 52.55 54.28 1ch0 s ASP 66 Cb 0.00 -2.52 -0.06 0.00 1.07 0.00 0.00 42.92 41.41 1ch0 s ASP 66 CO 0.00 -1.47 0.74 -0.69 1.18 0.00 0.00 175.17 174.94 1ch0 s VAL 67 N -2.66 4.71 0.28 -1.27 1.01 -1.26 -4.14 120.40 117.06 1ch0 s VAL 67 Ca 0.62 1.58 -0.30 0.00 0.00 0.00 0.00 61.98 63.88 1ch0 s VAL 67 Cb -0.16 -4.09 -0.12 0.00 0.00 0.00 0.00 36.38 32.01 1ch0 s VAL 67 CO 0.46 0.39 1.63 -0.47 0.00 0.00 0.00 175.10 177.11 1ch0 s TYR 68 N -0.21 2.77 -0.02 5.22 5.04 -1.26 -4.92 117.35 123.97 1ch0 s TYR 68 Ca 0.37 0.66 0.17 0.00 -2.44 0.00 0.00 57.07 55.84 1ch0 s TYR 68 Cb -0.20 -4.10 0.30 0.00 0.35 0.00 0.00 41.96 38.30 1ch0 s TYR 68 CO 0.23 -3.82 1.12 -1.13 -1.34 0.00 0.00 175.55 170.60 1ch0 n SER 69 N 2.58 0.78 0.00 4.32 3.41 -1.26 -5.01 113.62 118.43 1ch0 n SER 69 Ca 0.10 -2.14 0.00 0.00 -0.26 0.00 0.00 58.87 56.57 1ch0 n SER 69 Cb 0.37 -0.29 0.00 0.00 -0.26 0.00 0.00 64.21 64.03 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 0.20 1.08 0.00 5.00 0.00 -1.26 -4.76 105.19 105.45 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 -0.63 0.41 3.69 -0.02 0.00 -1.26 -4.20 105.19 103.19 1ch0 n GLY 71 Ca 0.00 -1.37 -0.42 0.00 0.00 0.00 0.00 46.02 44.23 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 -1.11 7.23 0.20 1.61 0.01 -1.26 -4.82 113.70 115.55 1ch0 s SER 72 Ca 0.00 1.62 -0.10 0.00 1.31 0.00 0.00 55.95 58.78 1ch0 s SER 72 Cb 0.00 -2.56 0.13 0.00 0.21 0.00 0.00 66.02 63.80 1ch0 s SER 72 CO 0.00 -0.44 1.80 -0.65 0.41 0.00 0.00 173.24 174.36 1ch0 h PRO 73 N 7.10 1.02 0.00 12.44 0.11 -1.99 -3.50 132.00 147.18 1ch0 h PRO 73 Ca -0.34 -0.13 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1ch0 h PRO 73 Cb 1.16 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.08 1ch0 h PRO 73 CO 0.84 0.78 0.00 0.41 -0.21 0.00 0.00 178.00 179.82 1ch0 n GLY 74 N -1.03 -1.75 0.01 -0.55 0.00 -1.26 -4.57 105.19 96.03 1ch0 n GLY 74 Ca 0.06 -1.65 0.10 0.00 0.00 0.00 0.00 46.02 44.53 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 0.78 3.43 -2.48 4.61 0.00 -1.26 -4.95 120.51 120.64 1ch0 n ALA 75 Ca 0.00 -0.50 -0.35 0.00 0.00 0.00 0.00 53.44 52.59 1ch0 n ALA 75 Cb 0.00 -0.68 -0.06 0.00 0.00 0.00 0.00 19.45 18.71 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 -3.68 6.73 0.02 0.00 1.01 -1.26 -0.56 116.67 118.93 1ch0 s ASP 76 Ca -0.01 0.92 -0.05 0.00 0.71 0.00 0.00 52.55 54.12 1ch0 s ASP 76 Cb 0.13 -2.23 -0.01 0.00 1.01 0.00 0.00 42.92 41.83 1ch0 s ASP 76 CO 0.81 0.16 0.08 -0.13 0.21 0.00 0.00 175.17 176.30 1ch0 s ARG 77 N -1.85 0.50 -0.07 8.23 1.81 0.56 -2.50 118.95 125.64 1ch0 s ARG 77 Ca 0.34 -0.64 0.02 0.00 -1.72 0.00 0.00 55.73 53.74 1ch0 s ARG 77 Cb -0.15 0.20 -0.02 0.00 -0.45 0.00 0.00 34.95 34.53 1ch0 s ARG 77 CO 0.18 -0.12 -0.13 0.14 -0.68 0.00 0.00 175.30 174.69 1ch0 s VAL 78 N -2.07 3.15 -0.10 3.52 -7.23 0.67 -1.52 120.40 116.82 1ch0 s VAL 78 Ca -0.10 -0.67 0.01 0.00 -1.81 0.00 0.00 61.98 59.41 1ch0 s VAL 78 Cb -0.04 -2.26 -0.02 0.00 0.56 0.00 0.00 36.38 34.61 1ch0 s VAL 78 CO -0.02 0.57 -0.12 -0.69 -0.31 0.00 0.00 175.10 174.53 1ch0 s VAL 79 N -0.46 3.20 0.15 1.32 1.01 0.58 -1.92 120.40 124.28 1ch0 s VAL 79 Ca 0.06 -0.63 0.01 0.00 0.00 0.00 0.00 61.98 61.41 1ch0 s VAL 79 Cb -0.12 -2.32 -0.04 0.00 0.00 0.00 0.00 36.38 33.90 1ch0 s VAL 79 CO 0.02 0.55 0.02 0.72 0.00 0.00 0.00 175.10 176.41 1ch0 s PHE 80 N -0.05 1.06 0.49 5.22 -0.12 -0.98 0.20 117.98 123.80 1ch0 s PHE 80 Ca -0.02 -1.11 0.04 0.00 -0.05 0.00 0.00 56.93 55.79 1ch0 s PHE 80 Cb -0.14 -0.60 0.04 0.00 -0.63 0.00 0.00 43.02 41.68 1ch0 s PHE 80 CO 0.04 -0.34 0.31 0.27 -0.05 0.00 0.00 175.22 175.45 1ch0 n ASN 81 N -0.18 2.69 0.17 1.98 0.23 -0.81 -0.40 115.26 118.93 1ch0 n ASN 81 Ca -0.06 -2.75 0.13 0.00 -0.53 0.00 0.00 54.58 51.37 1ch0 n ASN 81 Cb 0.63 0.02 0.57 0.00 -2.08 0.00 0.00 39.78 38.92 1ch0 n ASN 81 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 1ch0 h GLU 82 N 0.00 0.00 -0.09 -3.83 4.11 -1.85 -1.38 114.58 111.54 1ch0 h GLU 82 Ca -0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.11 1ch0 h GLU 82 Cb 1.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.39 1ch0 h GLU 82 CO 0.51 0.00 0.00 0.09 0.07 0.00 0.00 179.01 179.68 1ch0 n ASN 83 N -2.39 0.75 -3.18 3.06 3.02 -1.26 -4.88 115.26 110.38 1ch0 n ASN 83 Ca 0.01 -1.63 -0.18 0.00 -0.03 0.00 0.00 54.58 52.75 1ch0 n ASN 83 Cb 0.20 -0.06 0.07 0.00 -0.61 0.00 0.00 39.78 39.38 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 -0.25 -4.28 -4.56 6.41 5.15 -0.52 -5.02 115.26 112.19 1ch0 n ASN 84 Ca 0.13 -0.50 -0.31 0.00 -0.60 0.00 0.00 54.58 53.30 1ch0 n ASN 84 Cb 0.17 -4.51 -0.10 0.00 -0.53 0.00 0.00 39.78 34.81 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 -5.76 2.23 -0.14 1.20 -0.21 -1.26 -4.94 119.66 110.79 1ch0 s GLN 85 Ca 0.30 -0.93 -0.29 0.00 0.02 0.00 0.00 55.36 54.45 1ch0 s GLN 85 Cb -0.13 -2.34 -0.01 0.00 1.00 0.00 0.00 33.01 31.53 1ch0 s GLN 85 CO 0.64 0.54 1.07 -1.17 -2.12 0.00 0.00 175.29 174.24 1ch0 s LEU 86 N -1.86 4.20 -0.09 2.90 2.96 -1.26 -1.93 118.68 123.60 1ch0 s LEU 86 Ca 0.19 1.53 -0.03 0.00 -0.22 0.00 0.00 54.13 55.60 1ch0 s LEU 86 Cb -0.11 -3.55 -0.26 0.00 0.50 0.00 0.00 46.19 42.77 1ch0 s LEU 86 CO 0.11 -0.57 0.50 0.00 -1.32 0.00 0.00 176.35 175.07 1ch0 h ALA 87 N 7.36 0.46 0.00 5.97 0.00 -0.58 -3.46 119.26 129.01 1ch0 h ALA 87 Ca -0.27 -1.36 0.00 0.00 0.00 0.00 0.00 54.91 53.28 1ch0 h ALA 87 Cb 1.12 0.60 0.00 0.00 0.00 0.00 0.00 17.79 19.51 1ch0 h ALA 87 CO 0.91 1.32 0.00 0.41 0.00 0.00 0.00 179.25 181.89 1ch0 n GLY 88 N 1.87 0.68 3.11 0.00 0.00 -1.02 -4.67 105.19 105.17 1ch0 n GLY 88 Ca -0.27 -1.06 -0.31 0.00 0.00 0.00 0.00 46.02 44.38 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 1.82 0.27 1.61 1.01 -1.26 -0.30 120.40 121.55 1ch0 s VAL 89 Ca 0.00 -0.83 0.03 0.00 0.00 0.00 0.00 61.98 61.18 1ch0 s VAL 89 Cb 0.00 -1.64 -0.06 0.00 0.00 0.00 0.00 36.38 34.69 1ch0 s VAL 89 CO 0.00 0.50 0.06 0.27 0.00 0.00 0.00 175.10 175.93 1ch0 s ILE 90 N 0.99 0.90 0.07 2.22 -4.36 -0.58 -1.41 121.20 119.02 1ch0 s ILE 90 Ca -0.05 -2.01 -0.13 0.00 -0.26 0.00 0.00 60.65 58.21 1ch0 s ILE 90 Cb -0.15 -2.62 0.02 0.00 1.25 0.00 0.00 42.46 40.96 1ch0 s ILE 90 CO -0.04 -0.08 0.29 0.28 0.24 0.00 0.00 174.94 175.63 1ch0 s THR 91 N -3.51 0.09 -0.38 8.37 -1.32 -0.36 -0.32 115.64 118.21 1ch0 s THR 91 Ca 0.35 -0.78 0.23 0.00 -1.21 0.00 0.00 61.69 60.28 1ch0 s THR 91 Cb 0.08 -1.06 0.14 0.00 -1.51 0.00 0.00 72.50 70.14 1ch0 s THR 91 CO 0.13 -0.43 1.31 0.45 -2.21 0.00 0.00 174.62 173.87 1ch0 h HIS 92 N 2.99 0.00 -2.73 9.09 3.86 -1.07 -0.84 115.15 126.45 1ch0 h HIS 92 Ca -0.33 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.36 1ch0 h HIS 92 Cb 1.21 0.00 0.04 0.00 1.06 0.00 0.00 27.41 29.71 1ch0 h HIS 92 CO 0.43 0.00 0.96 0.99 0.86 0.00 0.00 177.93 181.17 1ch0 s THR 93 N -3.28 2.71 0.00 2.45 2.01 -1.26 -2.20 115.64 116.07 1ch0 s THR 93 Ca 0.03 0.39 0.00 0.00 0.31 0.00 0.00 61.69 62.42 1ch0 s THR 93 Cb 0.09 -3.25 0.00 0.00 0.01 0.00 0.00 72.50 69.35 1ch0 s THR 93 CO 0.73 0.02 0.00 0.61 -0.69 0.00 0.00 174.62 175.29 1ch0 n GLY 94 N 3.91 0.85 3.74 4.40 0.00 -1.26 -4.76 105.19 112.07 1ch0 n GLY 94 Ca 0.15 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.91 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 -3.38 3.40 0.11 4.61 0.00 -0.94 -4.98 121.76 120.58 1ch0 s ALA 95 Ca 0.00 -1.27 -0.07 0.00 0.00 0.00 0.00 51.96 50.62 1ch0 s ALA 95 Cb 0.00 -1.20 -0.06 0.00 0.00 0.00 0.00 23.12 21.86 1ch0 s ALA 95 CO 0.00 0.51 0.37 -1.54 0.00 0.00 0.00 175.76 175.10 1ch0 s SER 96 N -2.99 6.54 0.89 0.00 1.04 -1.26 -4.88 113.70 113.04 1ch0 s SER 96 Ca 0.29 0.65 0.00 0.00 0.48 0.00 0.00 55.95 57.37 1ch0 s SER 96 Cb -0.10 -2.12 0.00 0.00 0.10 0.00 0.00 66.02 63.90 1ch0 s SER 96 CO 0.21 0.11 0.00 0.61 0.98 0.00 0.00 173.24 175.15 1ch0 n GLY 97 N 0.46 2.24 2.21 7.32 0.00 -1.26 -2.95 105.19 113.21 1ch0 n GLY 97 Ca -0.05 -0.49 -0.29 0.00 0.00 0.00 0.00 46.02 45.19 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 0.31 6.90 -4.95 1.61 5.15 -1.26 -4.95 115.26 118.07 1ch0 n ASN 98 Ca 0.00 -3.60 -0.21 0.00 -0.60 0.00 0.00 54.58 50.17 1ch0 n ASN 98 Cb 0.00 -0.97 0.01 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 -1.33 5.04 0.27 1.20 0.01 -1.15 -5.14 114.94 113.84 1ch0 s ASN 99 Ca 0.56 -0.86 0.08 0.00 -0.71 0.00 0.00 52.86 51.94 1ch0 s ASN 99 Cb 0.45 -0.08 -0.05 0.00 0.41 0.00 0.00 41.25 41.97 1ch0 s ASN 99 CO 0.01 -0.98 -0.11 -0.36 -1.51 0.00 0.00 177.10 174.15 1ch0 s PHE 100 N -2.59 2.01 0.03 2.20 0.08 -1.26 -4.58 117.98 113.87 1ch0 s PHE 100 Ca 0.49 -0.59 0.03 0.00 0.12 0.00 0.00 56.93 56.98 1ch0 s PHE 100 Cb -0.05 -1.06 -0.02 0.00 -0.57 0.00 0.00 43.02 41.33 1ch0 s PHE 100 CO 0.30 0.41 -0.08 0.14 -0.10 0.00 0.00 175.22 175.88 1ch0 s VAL 101 N -2.87 0.62 0.42 -0.44 -7.23 -0.32 -4.93 120.40 105.65 1ch0 s VAL 101 Ca 0.28 -0.83 -0.24 0.00 -1.81 0.00 0.00 61.98 59.39 1ch0 s VAL 101 Cb 0.01 -0.62 -0.08 0.00 0.56 0.00 0.00 36.38 36.25 1ch0 s VAL 101 CO 0.12 -0.17 1.10 -1.61 -0.31 0.00 0.00 175.10 174.23 1ch0 s GLU 102 N -1.10 4.01 0.24 4.82 2.02 -1.26 -1.22 118.70 126.20 1ch0 s GLU 102 Ca -0.04 1.63 -0.23 0.00 0.02 0.00 0.00 54.97 56.35 1ch0 s GLU 102 Cb -0.07 -2.50 -0.09 0.00 0.10 0.00 0.00 34.13 31.57 1ch0 s GLU 102 CO 0.00 -0.30 0.81 0.00 0.02 0.00 0.00 175.26 175.79