#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3clc s SER 3 N 0.00 -0.05 0.06 1.62 1.04 -1.26 -5.09 113.70 110.02 3clc s SER 3 Ca 0.00 0.03 -0.20 0.00 0.48 0.00 0.00 55.95 56.26 3clc s SER 3 Cb 0.00 0.25 -0.08 0.00 0.10 0.00 0.00 66.02 66.29 3clc s SER 3 CO 0.00 -0.21 1.31 0.15 0.98 0.00 0.00 173.24 175.47 3clc h PHE 4 N 5.08 -0.89 -1.00 5.02 3.57 -2.05 -3.05 116.94 123.63 3clc h PHE 4 Ca -0.28 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.26 3clc h PHE 4 Cb 1.20 0.38 -0.05 0.00 2.79 0.00 0.00 35.95 40.27 3clc h PHE 4 CO 0.51 -0.33 0.66 1.25 -2.23 0.00 0.00 178.31 178.16 3clc h LEU 5 N -0.40 1.14 0.07 0.59 6.46 -1.99 -2.72 115.31 118.45 3clc h LEU 5 Ca 0.00 -0.03 0.02 0.00 -0.12 0.00 0.00 57.88 57.75 3clc h LEU 5 Cb 0.42 -0.28 -0.02 0.00 -0.73 0.00 0.00 40.66 40.04 3clc h LEU 5 CO -0.19 0.82 -0.16 -0.07 -0.62 0.00 0.00 178.44 178.22 3clc h LEU 6 N 1.34 -0.45 -1.53 2.25 3.38 -1.94 0.40 115.31 118.76 3clc h LEU 6 Ca 0.37 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.38 3clc h LEU 6 Cb -0.14 0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 3clc h LEU 6 CO -0.09 -0.23 0.15 0.77 0.09 0.00 0.00 178.44 179.14 3clc h SER 7 N -0.30 0.41 -0.28 -0.43 4.64 -1.40 0.42 113.55 116.60 3clc h SER 7 Ca 0.03 -0.03 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 3clc h SER 7 Cb 0.33 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.31 3clc h SER 7 CO -0.11 0.36 0.01 0.11 -0.87 0.00 0.00 176.83 176.33 3clc h LYS 8 N 0.47 0.49 -0.24 4.77 1.79 -1.19 -1.48 116.57 121.18 3clc h LYS 8 Ca 0.12 -0.15 0.03 0.00 -2.18 0.00 0.00 60.65 58.46 3clc h LYS 8 Cb 0.07 -0.05 -0.03 0.00 -1.58 0.00 0.00 32.23 30.64 3clc h LYS 8 CO -0.02 0.64 0.07 0.28 -1.08 0.00 0.00 179.45 179.35 3clc h VAL 9 N 0.28 0.93 0.00 0.50 2.07 0.13 -1.37 116.25 118.79 3clc h VAL 9 Ca 0.08 -0.06 -0.09 0.00 0.82 0.00 0.00 66.70 67.45 3clc h VAL 9 Cb 0.42 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 3clc h VAL 9 CO 0.01 0.03 -0.43 0.77 0.02 0.00 0.00 177.57 177.97 3clc h SER 10 N 0.18 0.00 -0.67 0.57 4.64 -0.98 -1.82 113.55 115.48 3clc h SER 10 Ca 0.11 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.38 3clc h SER 10 Cb 0.08 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.14 3clc h SER 10 CO -0.12 0.43 0.23 0.15 -0.87 0.00 0.00 176.83 176.66 3clc h PHE 11 N 0.00 1.05 -0.37 4.77 3.57 -0.77 -2.57 116.94 122.61 3clc h PHE 11 Ca -0.00 -0.10 -0.16 0.00 3.53 0.00 0.00 57.97 61.24 3clc h PHE 11 Cb 0.78 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 39.20 3clc h PHE 11 CO 0.00 0.84 -0.40 0.28 -2.23 0.00 0.00 178.31 176.80 3clc h VAL 12 N 0.96 1.27 -0.36 1.41 2.07 -0.63 -1.01 116.25 119.96 3clc h VAL 12 Ca 0.22 -1.57 0.03 0.00 0.82 0.00 0.00 66.70 66.20 3clc h VAL 12 Cb 0.26 1.41 -0.03 0.00 -1.52 0.00 0.00 31.29 31.42 3clc h VAL 12 CO -0.01 0.52 0.17 0.40 0.02 0.00 0.00 177.57 178.67 3clc h ILE 13 N 0.74 0.97 -0.24 4.57 2.04 -1.33 -0.99 117.51 123.27 3clc h ILE 13 Ca 0.06 -0.12 -0.07 0.00 1.00 0.00 0.00 64.86 65.73 3clc h ILE 13 Cb 0.99 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 37.64 3clc h ILE 13 CO 0.10 0.06 -0.13 0.50 0.00 0.00 0.00 178.15 178.68 3clc h LYS 14 N 0.35 0.41 -0.04 2.37 3.64 -1.31 -1.26 116.57 120.73 3clc h LYS 14 Ca 0.15 -0.11 -0.01 0.00 -1.27 0.00 0.00 60.65 59.41 3clc h LYS 14 Cb 0.07 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 31.84 3clc h LYS 14 CO -0.11 0.54 -0.01 -0.22 -2.27 0.00 0.00 179.45 177.38 3clc h LYS 15 N 0.38 0.07 -0.19 1.90 3.64 -0.62 -2.38 116.57 119.37 3clc h LYS 15 Ca 0.07 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.43 3clc h LYS 15 Cb 0.47 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 3clc h LYS 15 CO 0.03 0.46 0.11 0.82 -2.27 0.00 0.00 179.45 178.60 3clc h ILE 16 N -0.31 1.03 -0.61 2.00 2.04 -1.13 -1.07 117.51 119.46 3clc h ILE 16 Ca 0.01 -0.08 0.08 0.00 1.00 0.00 0.00 64.86 65.86 3clc h ILE 16 Cb 0.43 0.77 -0.06 0.00 -0.74 0.00 0.00 36.82 37.22 3clc h ILE 16 CO 0.00 0.04 0.28 -0.09 0.00 0.00 0.00 178.15 178.38 3clc h ARG 17 N 0.24 0.49 -0.17 2.37 2.43 -1.15 0.58 114.38 119.16 3clc h ARG 17 Ca 0.07 -0.03 -0.21 0.00 -0.81 0.00 0.00 59.98 59.00 3clc h ARG 17 Cb -0.01 -0.11 0.01 0.00 -0.42 0.00 0.00 29.97 29.44 3clc h ARG 17 CO -0.03 0.32 -0.71 -0.07 -1.51 0.00 0.00 179.97 177.97 3clc h LEU 18 N 0.50 0.93 -0.90 3.80 3.38 -1.28 -1.32 115.31 120.43 3clc h LEU 18 Ca 0.29 -0.61 0.21 0.00 0.09 0.00 0.00 57.88 57.86 3clc h LEU 18 Cb 0.29 -0.27 -0.12 0.00 0.09 0.00 0.00 40.66 40.64 3clc h LEU 18 CO -0.24 1.39 0.40 -0.33 0.09 0.00 0.00 178.44 179.75 3clc h GLU 19 N 0.53 0.41 -0.09 1.13 5.08 -0.37 0.97 114.58 122.24 3clc h GLU 19 Ca -0.04 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3clc h GLU 19 Cb 1.34 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.50 3clc h GLU 19 CO 0.15 0.27 0.00 1.63 -1.00 0.00 0.00 179.01 180.06 3clc n LYS 20 N -5.02 1.44 -1.24 2.33 5.02 0.12 -4.90 118.16 115.92 3clc n LYS 20 Ca 0.22 -0.66 -0.08 0.00 -2.02 0.00 0.00 58.31 55.76 3clc n LYS 20 Cb 0.64 -1.36 -0.03 0.00 -0.02 0.00 0.00 35.03 34.25 3clc n LYS 20 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3clc n GLY 21 N 1.00 0.91 3.78 0.72 0.00 0.34 -4.99 105.19 106.95 3clc n GLY 21 Ca 0.16 -0.19 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 3clc n GLY 21 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3clc s MET 22 N -2.42 4.51 0.50 1.61 -1.94 -0.54 -5.01 119.30 116.01 3clc s MET 22 Ca 0.00 1.36 -0.01 0.00 -1.71 0.00 0.00 55.69 55.33 3clc s MET 22 Cb 0.00 -2.75 0.01 0.00 2.01 0.00 0.00 34.83 34.10 3clc s MET 22 CO 0.00 0.21 0.74 0.95 -0.01 0.00 0.00 175.02 176.91 3clc s THR 23 N -1.63 3.64 0.29 2.05 -4.23 -1.26 -4.41 115.64 110.09 3clc s THR 23 Ca 0.52 -0.43 0.03 0.00 -1.18 0.00 0.00 61.69 60.63 3clc s THR 23 Cb -0.19 -3.37 0.28 0.00 1.34 0.00 0.00 72.50 70.55 3clc s THR 23 CO 0.24 -0.29 1.75 1.56 -0.54 0.00 0.00 174.62 177.35 3clc h GLN 24 N 0.20 0.62 -0.00 3.99 4.20 -1.97 -2.54 115.11 119.62 3clc h GLN 24 Ca -0.45 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.22 3clc h GLN 24 Cb 1.26 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 28.90 3clc h GLN 24 CO 0.57 0.41 -0.04 0.93 -0.67 0.00 0.00 178.83 180.03 3clc h GLU 25 N 0.64 -0.05 -0.56 1.46 3.07 -1.93 -0.49 114.58 116.73 3clc h GLU 25 Ca 0.54 0.00 0.05 0.00 -0.50 0.00 0.00 59.36 59.46 3clc h GLU 25 Cb 0.86 0.01 -0.08 0.00 -0.84 0.00 0.00 28.75 28.70 3clc h GLU 25 CO -0.41 -0.03 -0.45 -0.44 -1.40 0.00 0.00 179.01 176.28 3clc h ASP 26 N -0.05 -1.58 -0.95 1.42 3.32 -1.91 0.47 116.42 117.14 3clc h ASP 26 Ca 0.00 0.23 0.22 0.00 0.02 0.00 0.00 57.03 57.50 3clc h ASP 26 Cb 0.06 0.67 -0.18 0.00 0.22 0.00 0.00 39.33 40.10 3clc h ASP 26 CO -0.03 -0.25 -0.12 0.25 -1.72 0.00 0.00 179.24 177.38 3clc h LEU 27 N -0.15 -0.69 -0.89 1.55 5.85 -1.16 0.25 115.31 120.06 3clc h LEU 27 Ca 0.09 0.28 -0.06 0.00 0.84 0.00 0.00 57.88 59.02 3clc h LEU 27 Cb 0.39 0.53 -0.03 0.00 0.37 0.00 0.00 40.66 41.93 3clc h LEU 27 CO -0.60 -0.32 0.10 0.00 -0.34 0.00 0.00 178.44 177.28 3clc h ALA 28 N 1.95 1.09 0.15 1.25 0.00 0.78 -1.17 119.26 123.31 3clc h ALA 28 Ca 0.51 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 3clc h ALA 28 Cb 0.90 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.46 3clc h ALA 28 CO -0.94 0.60 -0.07 -0.92 0.00 0.00 0.00 179.25 177.92 3clc h TYR 29 N 0.88 -0.19 -0.31 0.00 3.20 -0.35 -1.44 116.97 118.75 3clc h TYR 29 Ca 0.18 -0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.14 3clc h TYR 29 Cb 0.37 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.69 3clc h TYR 29 CO 0.02 0.14 0.78 -0.22 -1.64 0.00 0.00 178.16 177.24 3clc h LYS 30 N -0.98 0.00 0.00 1.82 3.64 -0.43 0.36 116.57 120.97 3clc h LYS 30 Ca -0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3clc h LYS 30 Cb 0.42 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 3clc h LYS 30 CO 0.03 0.00 0.00 -1.13 -2.27 0.00 0.00 179.45 176.08 3clc n SER 31 N -2.99 1.63 -3.21 4.20 3.41 -0.46 -4.47 113.62 111.73 3clc n SER 31 Ca 0.06 -1.80 -0.19 0.00 -0.26 0.00 0.00 58.87 56.68 3clc n SER 31 Cb 0.89 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.92 3clc n SER 31 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3clc n ASN 32 N -0.40 -4.80 -4.37 4.04 4.13 0.13 -4.58 115.26 109.41 3clc n ASN 32 Ca 0.00 -0.50 -0.18 0.00 1.68 0.00 0.00 54.58 55.58 3clc n ASN 32 Cb 0.28 -4.53 -0.10 0.00 -1.54 0.00 0.00 39.78 33.89 3clc n ASN 32 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3clc s LEU 33 N -6.37 2.23 0.56 3.41 1.43 -0.64 -5.06 118.68 114.25 3clc s LEU 33 Ca 0.37 -1.24 -0.20 0.00 -1.03 0.00 0.00 54.13 52.03 3clc s LEU 33 Cb -0.16 -0.35 -0.05 0.00 0.03 0.00 0.00 46.19 45.65 3clc s LEU 33 CO 0.64 -0.50 1.15 -0.67 0.23 0.00 0.00 176.35 177.21 3clc n ASP 34 N -0.49 1.69 -0.31 2.29 -0.08 -1.26 -4.38 116.55 114.00 3clc n ASP 34 Ca -0.05 0.90 -0.01 0.00 -1.51 0.00 0.00 54.79 54.13 3clc n ASP 34 Cb 0.64 -1.47 0.12 0.00 2.34 0.00 0.00 41.12 42.75 3clc n ASP 34 CO 0.00 0.00 0.00 -0.09 0.12 0.00 0.00 177.20 177.23 3clc h ARG 35 N 0.98 1.00 -0.66 -0.67 2.43 -1.93 -2.15 114.38 113.38 3clc h ARG 35 Ca -0.49 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 58.58 3clc h ARG 35 Cb 1.34 -0.23 -0.03 0.00 -0.42 0.00 0.00 29.97 30.63 3clc h ARG 35 CO 0.54 0.66 0.25 1.79 -1.51 0.00 0.00 179.97 181.70 3clc h THR 36 N 1.03 1.24 -0.44 0.20 1.35 -1.98 -2.92 112.91 111.40 3clc h THR 36 Ca 0.36 -0.78 0.03 0.00 -0.55 0.00 0.00 66.41 65.47 3clc h THR 36 Cb 0.07 0.51 -0.04 0.00 -1.73 0.00 0.00 68.15 66.97 3clc h THR 36 CO -0.14 0.31 0.22 0.22 -0.25 0.00 0.00 175.52 175.88 3clc h TYR 37 N 0.94 0.41 -0.69 4.73 3.20 -1.75 -0.25 116.97 123.57 3clc h TYR 37 Ca 0.22 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.09 3clc h TYR 37 Cb 0.23 -0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.35 3clc h TYR 37 CO 0.02 0.21 0.36 0.82 -1.64 0.00 0.00 178.16 177.93 3clc h ILE 38 N 0.45 1.22 -0.12 1.81 1.08 -1.47 -0.11 117.51 120.37 3clc h ILE 38 Ca 0.19 -0.57 0.03 0.00 -0.39 0.00 0.00 64.86 64.12 3clc h ILE 38 Cb 0.09 0.33 -0.03 0.00 -3.07 0.00 0.00 36.82 34.14 3clc h ILE 38 CO -0.13 0.24 -0.07 -1.28 -0.69 0.00 0.00 178.15 176.23 3clc h SER 39 N 0.95 -0.23 -0.75 1.72 0.87 -1.25 -2.16 113.55 112.70 3clc h SER 39 Ca 0.24 0.05 -0.05 0.00 -1.23 0.00 0.00 61.79 60.80 3clc h SER 39 Cb 0.06 0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 62.11 3clc h SER 39 CO -0.04 -0.10 0.26 1.23 -0.53 0.00 0.00 176.83 177.66 3clc h GLY 40 N -0.07 1.24 0.51 5.77 0.00 -0.17 0.12 103.07 110.47 3clc h GLY 40 Ca 0.07 -0.71 0.07 0.00 0.00 0.00 0.00 47.33 46.77 3clc h GLY 40 CO -0.16 0.66 0.19 -2.22 0.00 0.00 0.00 176.54 175.01 3clc h ILE 41 N 1.11 0.82 -0.10 2.60 2.04 -0.98 -1.39 117.51 121.62 3clc h ILE 41 Ca 0.25 -0.13 -0.14 0.00 1.00 0.00 0.00 64.86 65.84 3clc h ILE 41 Cb 0.27 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 3clc h ILE 41 CO -0.01 0.07 -0.54 -0.33 0.00 0.00 0.00 178.15 177.33 3clc h GLU 42 N 0.37 0.30 -1.05 2.37 5.08 -0.15 0.50 114.58 122.01 3clc h GLU 42 Ca 0.25 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3clc h GLU 42 Cb 0.27 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.54 3clc h GLU 42 CO -0.25 0.77 0.00 0.54 -1.00 0.00 0.00 179.01 179.06 3clc n ARG 43 N -3.93 0.82 -1.51 2.33 1.74 -0.45 -4.81 116.66 110.86 3clc n ARG 43 Ca -0.02 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 57.01 3clc n ARG 43 Cb 0.58 -1.20 -0.02 0.00 -1.02 0.00 0.00 32.46 30.80 3clc n ARG 43 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3clc n ASN 44 N 0.41 -1.53 -1.30 0.55 5.15 0.18 -4.72 115.26 114.00 3clc n ASN 44 Ca 0.00 0.19 0.06 0.00 -0.60 0.00 0.00 54.58 54.23 3clc n ASN 44 Cb 0.34 -1.64 0.27 0.00 -0.53 0.00 0.00 39.78 38.22 3clc n ASN 44 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 3clc n SER 45 N -0.12 3.78 -3.88 1.20 7.64 -0.53 -4.85 113.62 116.87 3clc n SER 45 Ca -0.05 -2.42 -0.14 0.00 1.01 0.00 0.00 58.87 57.27 3clc n SER 45 Cb 0.27 -0.53 -0.15 0.00 -1.01 0.00 0.00 64.21 62.79 3clc n SER 45 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 3clc s ARG 46 N -1.91 0.15 -0.67 1.43 1.81 -1.22 -4.87 118.95 113.68 3clc s ARG 46 Ca 0.37 -0.02 -0.09 0.00 -1.72 0.00 0.00 55.73 54.27 3clc s ARG 46 Cb 0.25 -0.20 0.17 0.00 -0.45 0.00 0.00 34.95 34.72 3clc s ARG 46 CO 0.16 -0.01 0.55 1.21 -0.68 0.00 0.00 175.30 176.53 3clc s ASN 47 N 0.22 5.98 0.50 0.23 2.47 -1.26 -4.88 114.94 118.21 3clc s ASN 47 Ca -0.02 -2.54 -0.13 0.00 0.42 0.00 0.00 52.86 50.59 3clc s ASN 47 Cb -0.04 -2.05 -0.07 0.00 -1.45 0.00 0.00 41.25 37.65 3clc s ASN 47 CO -0.01 -0.54 0.92 -1.48 -3.72 0.00 0.00 177.10 172.27 3clc s LEU 48 N 0.42 3.61 0.52 3.21 2.34 -1.26 -5.07 118.68 122.45 3clc s LEU 48 Ca 0.14 1.39 -0.19 0.00 0.06 0.00 0.00 54.13 55.53 3clc s LEU 48 Cb -0.18 -4.34 -0.07 0.00 -0.56 0.00 0.00 46.19 41.05 3clc s LEU 48 CO -0.05 -0.59 1.05 -0.89 -1.06 0.00 0.00 176.35 174.82 3clc s THR 49 N -2.66 3.72 0.18 5.48 2.01 -1.26 -4.93 115.64 118.18 3clc s THR 49 Ca 0.56 1.00 -0.13 0.00 0.31 0.00 0.00 61.69 63.43 3clc s THR 49 Cb -0.10 -3.41 0.10 0.00 0.01 0.00 0.00 72.50 69.09 3clc s THR 49 CO 0.36 -0.30 1.73 0.40 -0.69 0.00 0.00 174.62 176.12 3clc h ILE 50 N 1.22 0.77 -0.96 1.82 1.08 -1.99 -0.17 117.51 119.27 3clc h ILE 50 Ca -0.49 -0.10 0.18 0.00 -0.39 0.00 0.00 64.86 64.06 3clc h ILE 50 Cb 1.22 0.46 -0.10 0.00 -3.07 0.00 0.00 36.82 35.33 3clc h ILE 50 CO 0.58 0.05 0.56 0.11 -0.69 0.00 0.00 178.15 178.77 3clc h LYS 51 N 0.28 0.71 -0.23 2.37 1.57 -1.99 0.19 116.57 119.47 3clc h LYS 51 Ca 0.24 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.90 3clc h LYS 51 Cb 0.30 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.44 3clc h LYS 51 CO -0.29 0.47 -0.18 0.77 -0.57 0.00 0.00 179.45 179.66 3clc h SER 52 N 0.74 0.55 -0.47 0.86 0.02 -1.61 -2.32 113.55 111.32 3clc h SER 52 Ca 0.55 -0.45 0.10 0.00 -0.84 0.00 0.00 61.79 61.14 3clc h SER 52 Cb 0.82 -0.15 -0.10 0.00 0.14 0.00 0.00 62.40 63.11 3clc h SER 52 CO -0.38 0.88 -0.18 0.25 -1.14 0.00 0.00 176.83 176.27 3clc h LEU 53 N 0.22 -0.63 -0.77 5.07 6.46 0.18 0.73 115.31 126.57 3clc h LEU 53 Ca 0.04 0.16 0.13 0.00 -0.12 0.00 0.00 57.88 58.09 3clc h LEU 53 Cb 0.71 0.37 -0.09 0.00 -0.73 0.00 0.00 40.66 40.92 3clc h LEU 53 CO 0.05 -0.21 0.36 -0.08 -0.62 0.00 0.00 178.44 177.93 3clc h GLU 54 N -0.08 0.54 -0.41 1.25 4.81 -0.52 0.16 114.58 120.34 3clc h GLU 54 Ca 0.23 -0.03 -0.11 0.00 -0.13 0.00 0.00 59.36 59.32 3clc h GLU 54 Cb 0.42 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.67 3clc h GLU 54 CO -0.53 0.36 -0.18 -0.07 -0.73 0.00 0.00 179.01 177.86 3clc h LEU 55 N 0.55 0.78 -0.73 1.64 3.38 -0.39 -1.27 115.31 119.28 3clc h LEU 55 Ca 0.41 -0.26 -0.10 0.00 0.09 0.00 0.00 57.88 58.01 3clc h LEU 55 Cb 0.55 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 3clc h LEU 55 CO -0.35 0.96 -0.16 0.40 0.09 0.00 0.00 178.44 179.38 3clc h ILE 56 N 0.69 1.26 -0.54 1.22 2.04 0.49 -1.08 117.51 121.59 3clc h ILE 56 Ca 0.10 -1.25 -0.04 0.00 1.00 0.00 0.00 64.86 64.67 3clc h ILE 56 Cb 0.68 1.10 -0.02 0.00 -0.74 0.00 0.00 36.82 37.84 3clc h ILE 56 CO 0.05 0.43 0.16 0.24 0.00 0.00 0.00 178.15 179.03 3clc h MET 57 N 0.72 0.84 0.00 2.37 2.86 -0.11 0.13 114.93 121.75 3clc h MET 57 Ca 0.11 -0.18 -0.02 0.00 -2.06 0.00 0.00 59.70 57.54 3clc h MET 57 Cb 0.66 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 32.20 3clc h MET 57 CO 0.05 0.77 -0.12 -0.22 1.06 0.00 0.00 176.91 178.46 3clc h LYS 58 N 0.75 0.00 -0.13 1.72 3.64 -1.10 -2.29 116.57 119.15 3clc h LYS 58 Ca 0.17 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.44 3clc h LYS 58 Cb 0.29 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 3clc h LYS 58 CO -0.00 0.12 -0.35 0.78 -2.27 0.00 0.00 179.45 177.72 3clc h GLY 59 N 1.22 0.52 0.78 5.01 0.00 0.34 -2.80 103.07 108.15 3clc h GLY 59 Ca -0.00 -0.65 0.00 0.00 0.00 0.00 0.00 47.33 46.68 3clc h GLY 59 CO 0.02 0.58 0.00 1.04 0.00 0.00 0.00 176.54 178.18 3clc n LEU 60 N -4.35 0.00 -3.56 3.11 4.77 0.27 -4.80 117.00 112.45 3clc n LEU 60 Ca -0.07 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.71 3clc n LEU 60 Cb 0.51 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.65 3clc n LEU 60 CO 0.43 0.00 -0.00 -0.62 -1.33 0.00 0.00 177.39 175.87 3clc n GLU 61 N -0.89 -4.68 -3.92 3.23 1.02 -0.98 -5.00 120.64 109.42 3clc n GLU 61 Ca 0.16 0.71 -0.10 0.00 -0.02 0.00 0.00 57.16 57.91 3clc n GLU 61 Cb 0.07 -5.38 -0.12 0.00 -0.02 0.00 0.00 31.44 26.00 3clc n GLU 61 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3clc s VAL 62 N -3.52 0.06 0.36 2.62 0.11 -0.98 -5.06 120.40 113.98 3clc s VAL 62 Ca 0.11 -0.50 -0.23 0.00 -2.93 0.00 0.00 61.98 58.42 3clc s VAL 62 Cb -0.02 -0.17 -0.10 0.00 -1.53 0.00 0.00 36.38 34.55 3clc s VAL 62 CO 0.78 -0.28 0.93 -0.94 -3.33 0.00 0.00 175.10 172.26 3clc s SER 63 N -0.82 7.15 0.23 3.54 1.04 -1.26 -4.40 113.70 119.18 3clc s SER 63 Ca -0.09 1.74 -0.15 0.00 0.48 0.00 0.00 55.95 57.93 3clc s SER 63 Cb -0.06 -2.55 0.27 0.00 0.10 0.00 0.00 66.02 63.79 3clc s SER 63 CO -0.00 -0.18 1.58 0.44 0.98 0.00 0.00 173.24 176.06 3clc h ASP 64 N 2.67 -1.03 -0.04 7.02 3.32 -1.98 0.24 116.42 126.62 3clc h ASP 64 Ca -0.48 0.26 0.00 0.00 0.02 0.00 0.00 57.03 56.84 3clc h ASP 64 Cb 1.19 0.59 -0.01 0.00 0.22 0.00 0.00 39.33 41.32 3clc h ASP 64 CO 0.63 -0.29 -0.06 0.58 -1.72 0.00 0.00 179.24 178.38 3clc h VAL 65 N -0.04 0.00 -0.15 -1.35 2.07 -2.00 -1.29 116.25 113.48 3clc h VAL 65 Ca 0.35 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.91 3clc h VAL 65 Cb 0.59 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 3clc h VAL 65 CO -0.85 0.00 0.13 1.62 0.02 0.00 0.00 177.57 178.50 3clc h VAL 66 N -0.05 0.69 0.02 2.57 3.04 -1.69 0.10 116.25 120.92 3clc h VAL 66 Ca 0.01 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.70 3clc h VAL 66 Cb 0.07 0.90 0.00 0.00 -2.01 0.00 0.00 31.29 30.25 3clc h VAL 66 CO -0.06 0.00 -0.01 0.15 -1.01 0.00 0.00 177.57 176.64 3clc h PHE 67 N 0.00 -0.02 0.00 3.17 3.57 -0.10 -2.76 116.94 120.80 3clc h PHE 67 Ca 0.07 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.54 3clc h PHE 67 Cb 0.34 0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.08 3clc h PHE 67 CO 0.00 0.23 -0.15 0.74 -2.23 0.00 0.00 178.31 176.90 3clc h PHE 68 N -0.27 0.00 0.00 0.41 0.04 0.08 0.26 116.94 117.46 3clc h PHE 68 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3clc h PHE 68 Cb 0.26 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.41 3clc h PHE 68 CO 0.01 0.15 0.00 0.93 -0.60 0.00 0.00 178.31 178.80 3clc h GLU 69 N 0.00 0.00 0.03 1.51 5.08 -1.05 -0.82 114.58 119.33 3clc h GLU 69 Ca -0.00 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 57.99 3clc h GLU 69 Cb 0.42 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.61 3clc h GLU 69 CO 0.02 0.00 -2.26 -1.33 -1.00 0.00 0.00 179.01 174.44 3clc n MET 70 N -2.97 0.68 -0.04 2.33 2.81 -0.03 -3.25 117.12 116.65 3clc n MET 70 Ca 0.01 0.16 -0.04 0.00 -1.81 0.00 0.00 57.70 56.02 3clc n MET 70 Cb 0.30 -1.60 -0.03 0.00 -0.71 0.00 0.00 33.22 31.19 3clc n MET 70 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 3clc h LEU 71 N 0.02 -0.49 -0.93 4.03 6.46 -1.06 -0.14 115.31 123.20 3clc h LEU 71 Ca -0.50 0.06 0.18 0.00 -0.12 0.00 0.00 57.88 57.51 3clc h LEU 71 Cb 2.02 0.20 -0.18 0.00 -0.73 0.00 0.00 40.66 41.98 3clc h LEU 71 CO -0.00 -0.10 -0.24 0.40 -0.62 0.00 0.00 178.44 177.88 3clc h ILE 72 N -0.10 0.07 -0.64 4.05 2.04 -1.30 0.17 117.51 121.80 3clc h ILE 72 Ca 0.02 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.80 3clc h ILE 72 Cb 0.15 0.07 -0.03 0.00 -0.74 0.00 0.00 36.82 36.27 3clc h ILE 72 CO -0.16 0.00 0.09 0.11 0.00 0.00 0.00 178.15 178.19 3clc h LYS 73 N -0.00 1.06 -0.48 2.37 1.57 -1.46 -2.52 116.57 117.11 3clc h LYS 73 Ca 0.44 -0.28 -0.04 0.00 -1.87 0.00 0.00 60.65 58.90 3clc h LYS 73 Cb 0.68 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.84 3clc h LYS 73 CO -0.96 0.98 0.13 1.49 -0.57 0.00 0.00 179.45 180.52 3clc h GLU 74 N 0.99 0.75 -0.25 3.15 4.57 0.11 -1.89 114.58 122.01 3clc h GLU 74 Ca 0.19 -0.17 0.07 0.00 -1.18 0.00 0.00 59.36 58.28 3clc h GLU 74 Cb 0.44 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.92 3clc h GLU 74 CO 0.01 0.73 0.28 0.82 -1.18 0.00 0.00 179.01 179.67 3clc h ILE 75 N 0.64 0.45 -0.11 2.32 2.04 -0.49 -3.10 117.51 119.26 3clc h ILE 75 Ca 0.15 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.01 3clc h ILE 75 Cb 0.30 0.78 0.00 0.00 -0.74 0.00 0.00 36.82 37.16 3clc h ILE 75 CO -0.00 0.00 0.00 0.18 0.00 0.00 0.00 178.15 178.33 3clc n LEU 76 N -3.79 2.66 0.17 1.44 4.77 -0.71 -4.80 117.00 116.74 3clc n LEU 76 Ca 0.03 -0.96 -0.07 0.00 -0.03 0.00 0.00 56.01 54.99 3clc n LEU 76 Cb 0.41 -0.06 -0.03 0.00 -2.33 0.00 0.00 43.42 41.42 3clc n LEU 76 CO 0.28 0.48 0.46 0.07 -1.33 0.00 0.00 177.39 177.35 3clc h LYS 77 N 3.95 -0.41 0.00 3.23 5.09 -1.55 -3.51 116.57 123.37 3clc h LYS 77 Ca 0.00 0.03 0.00 0.00 0.09 0.00 0.00 60.65 60.77 3clc h LYS 77 Cb 0.85 0.09 0.00 0.00 0.10 0.00 0.00 32.23 33.27 3clc h LYS 77 CO 0.00 -0.27 0.00 -2.39 -2.09 0.00 0.00 179.45 174.70