#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gtc s VAL 3 N 0.00 1.95 -0.03 1.39 -7.23 -1.26 -0.10 120.40 115.13 2gtc s VAL 3 Ca 0.00 -0.97 -0.17 0.00 -1.81 0.00 0.00 61.98 59.03 2gtc s VAL 3 Cb 0.00 -1.68 0.03 0.00 0.56 0.00 0.00 36.38 35.29 2gtc s VAL 3 CO 0.00 0.54 0.36 0.28 -0.31 0.00 0.00 175.10 175.96 2gtc s THR 4 N 0.23 0.05 0.29 5.32 -1.32 0.12 -4.98 115.64 115.34 2gtc s THR 4 Ca -0.14 -0.39 0.15 0.00 -1.21 0.00 0.00 61.69 60.09 2gtc s THR 4 Cb -0.16 -0.66 0.08 0.00 -1.51 0.00 0.00 72.50 70.25 2gtc s THR 4 CO 0.07 -0.22 1.75 0.71 -2.21 0.00 0.00 174.62 174.72 2gtc h THR 5 N 3.80 1.17 -3.99 5.08 1.35 -1.87 -1.26 112.91 117.19 2gtc h THR 5 Ca -0.29 -1.57 -0.49 0.00 -0.55 0.00 0.00 66.41 63.50 2gtc h THR 5 Cb 1.17 1.88 0.19 0.00 -1.73 0.00 0.00 68.15 69.66 2gtc h THR 5 CO 0.39 0.43 0.19 0.42 -0.25 0.00 0.00 175.52 176.70 2gtc s THR 6 N -3.84 2.30 -0.61 6.82 -4.23 -1.26 -3.24 115.64 111.58 2gtc s THR 6 Ca -0.02 0.10 0.24 0.00 -1.18 0.00 0.00 61.69 60.83 2gtc s THR 6 Cb 0.13 -2.25 -0.01 0.00 1.34 0.00 0.00 72.50 71.70 2gtc s THR 6 CO 0.72 -0.13 1.20 -1.20 -0.54 0.00 0.00 174.62 174.67 2gtc n SER 7 N -4.27 0.67 -4.10 3.99 7.64 -1.26 -0.12 113.62 116.17 2gtc n SER 7 Ca 0.09 0.01 -0.07 0.00 1.01 0.00 0.00 58.87 59.91 2gtc n SER 7 Cb 0.53 0.41 -0.10 0.00 -1.01 0.00 0.00 64.21 64.04 2gtc n SER 7 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2gtc s GLY 8 N -3.69 0.54 -0.32 0.23 0.00 -1.26 -4.81 107.32 98.00 2gtc s GLY 8 Ca 0.05 -1.24 -0.05 0.00 0.00 0.00 0.00 44.72 43.47 2gtc s GLY 8 CO 0.75 -1.33 0.07 -0.42 0.00 0.00 0.00 173.10 172.18 2gtc s ILE 9 N -3.93 3.61 0.09 0.90 1.01 -1.26 -5.06 121.20 116.56 2gtc s ILE 9 Ca 0.09 -1.10 -0.32 0.00 0.00 0.00 0.00 60.65 59.31 2gtc s ILE 9 Cb 0.08 -3.01 -0.11 0.00 0.01 0.00 0.00 42.46 39.42 2gtc s ILE 9 CO -0.09 -0.10 1.81 0.00 0.00 0.00 0.00 174.94 176.56 2gtc n GLN 10 N 4.78 2.57 -1.00 2.79 6.02 -1.26 -0.52 117.38 130.76 2gtc n GLN 10 Ca -0.13 0.94 -0.00 0.00 -0.01 0.00 0.00 57.00 57.80 2gtc n GLN 10 Cb 0.45 -2.80 -0.00 0.00 1.02 0.00 0.00 30.24 28.91 2gtc n GLN 10 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2gtc n GLY 11 N 4.14 0.48 3.18 1.08 0.00 -1.26 -5.02 105.19 107.79 2gtc n GLY 11 Ca 0.19 -0.12 -0.24 0.00 0.00 0.00 0.00 46.02 45.85 2gtc n GLY 11 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gtc s LYS 12 N -0.25 1.34 -0.20 1.61 1.02 0.32 -5.13 119.74 118.46 2gtc s LYS 12 Ca 0.00 -0.70 -0.07 0.00 0.02 0.00 0.00 55.97 55.23 2gtc s LYS 12 Cb 0.00 -1.33 -0.03 0.00 -0.52 0.00 0.00 37.83 35.94 2gtc s LYS 12 CO 0.00 0.36 0.05 -2.00 -0.92 0.00 0.00 175.35 172.84 2gtc s GLU 13 N -0.64 3.82 -0.32 1.68 2.12 -1.26 -4.51 118.70 119.57 2gtc s GLU 13 Ca 0.06 -0.42 -0.27 0.00 0.36 0.00 0.00 54.97 54.71 2gtc s GLU 13 Cb -0.07 -3.20 0.01 0.00 0.26 0.00 0.00 34.13 31.13 2gtc s GLU 13 CO 0.00 0.11 0.96 0.42 -0.54 0.00 0.00 175.26 176.21 2gtc s ILE 14 N 0.80 4.61 -0.79 -3.70 1.01 -1.26 -4.30 121.20 117.56 2gtc s ILE 14 Ca 0.03 1.47 0.20 0.00 0.00 0.00 0.00 60.65 62.35 2gtc s ILE 14 Cb -0.14 -4.32 -0.24 0.00 0.01 0.00 0.00 42.46 37.78 2gtc s ILE 14 CO 0.02 -0.42 0.79 2.30 0.00 0.00 0.00 174.94 177.64 2gtc n ILE 15 N 5.78 0.00 -3.67 2.92 -5.35 0.34 -4.93 119.36 114.44 2gtc n ILE 15 Ca 0.09 -0.10 -0.11 0.00 -0.27 0.00 0.00 62.75 62.36 2gtc n ILE 15 Cb 0.48 0.82 -0.09 0.00 -1.74 0.00 0.00 39.64 39.11 2gtc n ILE 15 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 2gtc s GLU 16 N -3.02 0.60 -0.59 6.28 2.12 -1.19 -5.00 118.70 117.91 2gtc s GLU 16 Ca 0.05 0.92 -0.20 0.00 0.36 0.00 0.00 54.97 56.10 2gtc s GLU 16 Cb 0.15 0.17 0.09 0.00 0.26 0.00 0.00 34.13 34.80 2gtc s GLU 16 CO 0.84 -0.12 0.74 0.71 -0.54 0.00 0.00 175.26 176.89 2gtc s TYR 17 N 1.01 2.95 -0.06 5.30 1.51 -1.26 -1.21 117.35 125.58 2gtc s TYR 17 Ca -0.06 -0.82 -0.04 0.00 -1.01 0.00 0.00 57.07 55.14 2gtc s TYR 17 Cb -0.06 -4.00 -0.02 0.00 -0.11 0.00 0.00 41.96 37.77 2gtc s TYR 17 CO -0.09 -1.32 0.21 0.82 -1.11 0.00 0.00 175.55 174.06 2gtc h ILE 18 N 5.93 0.00 -1.81 2.71 2.04 -1.12 -3.49 117.51 121.77 2gtc h ILE 18 Ca -0.29 -0.70 0.04 0.00 1.00 0.00 0.00 64.86 64.91 2gtc h ILE 18 Cb 1.09 0.00 -0.21 0.00 -0.74 0.00 0.00 36.82 36.96 2gtc h ILE 18 CO 1.10 0.00 0.43 -0.62 0.00 0.00 0.00 178.15 179.05 2gtc s ASP 19 N -4.87 -0.46 0.11 1.72 2.15 -1.04 -5.00 116.67 109.27 2gtc s ASP 19 Ca -0.02 0.44 -0.31 0.00 0.43 0.00 0.00 52.55 53.09 2gtc s ASP 19 Cb 0.00 0.39 -0.09 0.00 -0.30 0.00 0.00 42.92 42.92 2gtc s ASP 19 CO 0.07 -0.47 1.59 -0.63 -0.17 0.00 0.00 175.17 175.56 2gtc s ILE 20 N -1.42 2.93 0.28 4.11 1.01 -1.26 0.12 121.20 126.98 2gtc s ILE 20 Ca -0.04 0.53 0.10 0.00 0.00 0.00 0.00 60.65 61.24 2gtc s ILE 20 Cb -0.00 -3.34 -0.05 0.00 0.01 0.00 0.00 42.46 39.08 2gtc s ILE 20 CO 0.03 0.02 -0.07 0.68 0.00 0.00 0.00 174.94 175.59 2gtc s VAL 21 N 1.96 2.94 0.01 2.92 -7.23 0.17 -4.84 120.40 116.34 2gtc s VAL 21 Ca 0.71 -2.11 -0.01 0.00 -1.81 0.00 0.00 61.98 58.76 2gtc s VAL 21 Cb -0.41 -2.63 -0.01 0.00 0.56 0.00 0.00 36.38 33.89 2gtc s VAL 21 CO 0.31 -0.35 0.01 0.20 -0.31 0.00 0.00 175.10 174.96 2gtc s ASN 22 N -3.62 0.16 -0.01 4.85 0.01 -1.26 -1.49 114.94 113.58 2gtc s ASN 22 Ca 0.31 -0.37 -0.03 0.00 -0.71 0.00 0.00 52.86 52.07 2gtc s ASN 22 Cb -0.05 0.11 0.00 0.00 0.41 0.00 0.00 41.25 41.73 2gtc s ASN 22 CO 0.18 -0.27 0.06 -0.83 -1.51 0.00 0.00 177.10 174.73 2gtc s GLY 23 N -1.25 0.01 0.05 0.66 0.00 -0.43 -4.89 107.32 101.47 2gtc s GLY 23 Ca -0.14 0.01 0.02 0.00 0.00 0.00 0.00 44.72 44.62 2gtc s GLY 23 CO -0.00 -0.04 -0.08 -0.54 0.00 0.00 0.00 173.10 172.44 2gtc s GLU 24 N -0.42 0.57 -0.01 2.90 8.01 -1.26 0.10 118.70 128.59 2gtc s GLU 24 Ca -0.05 -0.82 -0.05 0.00 0.01 0.00 0.00 54.97 54.06 2gtc s GLU 24 Cb -0.03 -0.30 0.00 0.00 -4.31 0.00 0.00 34.13 29.49 2gtc s GLU 24 CO 0.00 0.05 0.10 0.00 0.01 0.00 0.00 175.26 175.42 2gtc s ALA 25 N -1.59 -0.23 0.00 5.21 0.00 -0.71 -4.23 121.76 120.21 2gtc s ALA 25 Ca -0.08 -0.05 0.00 0.00 0.00 0.00 0.00 51.96 51.84 2gtc s ALA 25 Cb -0.09 0.01 0.00 0.00 0.00 0.00 0.00 23.12 23.04 2gtc s ALA 25 CO -0.00 -0.14 0.00 -0.89 0.00 0.00 0.00 175.76 174.73 2gtc n ILE 26 N 2.05 0.00 -4.15 0.00 5.41 -1.26 -1.14 119.36 120.27 2gtc n ILE 26 Ca -0.19 0.00 -0.11 0.00 1.00 0.00 0.00 62.75 63.45 2gtc n ILE 26 Cb 0.57 0.00 -0.10 0.00 -0.71 0.00 0.00 39.64 39.40 2gtc n ILE 26 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 2gtc s GLY 28 N 0.00 0.72 0.43 7.39 0.00 -1.26 -5.01 107.32 109.59 2gtc s GLY 28 Ca 0.00 -1.26 0.14 0.00 0.00 0.00 0.00 44.72 43.61 2gtc s GLY 28 CO 0.00 -1.36 1.95 0.00 0.00 0.00 0.00 173.10 173.69 2gtc h ALA 29 N 3.20 2.05 0.22 3.20 0.00 -1.87 -2.85 119.26 123.23 2gtc h ALA 29 Ca -0.35 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 2gtc h ALA 29 Cb 1.17 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 2gtc h ALA 29 CO 0.61 -0.22 -0.20 -0.91 0.00 0.00 0.00 179.25 178.53 2gtc h ASN 30 N 0.42 -0.54 0.27 0.00 4.21 -1.95 0.30 115.58 118.30 2gtc h ASN 30 Ca 0.32 0.04 0.00 0.00 1.21 0.00 0.00 56.30 57.87 2gtc h ASN 30 Cb 0.68 0.17 0.00 0.00 -1.12 0.00 0.00 38.32 38.05 2gtc h ASN 30 CO -0.10 -0.27 0.00 2.30 -1.29 0.00 0.00 177.43 178.07 2gtc n ILE 31 N -3.53 0.65 -0.05 2.81 -0.00 -1.13 -0.61 119.36 117.50 2gtc n ILE 31 Ca -0.05 0.16 -0.03 0.00 -0.00 0.00 0.00 62.75 62.83 2gtc n ILE 31 Cb 0.19 -0.94 -0.01 0.00 -0.00 0.00 0.00 39.64 38.88 2gtc n ILE 31 CO 0.00 0.00 0.00 0.58 -0.00 0.00 0.00 176.55 177.13 2gtc h VAL 32 N 0.00 0.00 0.03 7.28 2.07 -1.37 -3.37 116.25 120.89 2gtc h VAL 32 Ca 0.00 -0.82 0.00 0.00 0.82 0.00 0.00 66.70 66.70 2gtc h VAL 32 Cb 0.13 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.90 2gtc h VAL 32 CO 0.00 0.00 -0.08 -0.09 0.02 0.00 0.00 177.57 177.42 2gtc h ARG 33 N -0.82 -0.11 -1.76 1.57 2.43 -0.07 -1.85 114.38 113.76 2gtc h ARG 33 Ca 0.00 0.01 -0.39 0.00 -0.81 0.00 0.00 59.98 58.78 2gtc h ARG 33 Cb 0.34 0.03 -0.15 0.00 -0.42 0.00 0.00 29.97 29.77 2gtc h ARG 33 CO 0.00 -0.08 0.36 -0.40 -1.51 0.00 0.00 179.97 178.34 2gtc n ASP 34 N -2.85 6.40 0.00 -3.80 5.75 0.22 -2.59 116.55 119.68 2gtc n ASP 34 Ca -0.01 -3.09 0.00 0.00 -0.01 0.00 0.00 54.79 51.67 2gtc n ASP 34 Cb 0.06 -1.16 0.00 0.00 -1.03 0.00 0.00 41.12 38.99 2gtc n ASP 34 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 2gtc n LEU 35 N 0.71 0.00 -0.32 -2.12 -0.00 -1.18 -4.80 117.00 109.29 2gtc n LEU 35 Ca 0.39 0.00 0.12 0.00 -0.00 0.00 0.00 56.01 56.52 2gtc n LEU 35 Cb 0.58 0.00 0.16 0.00 -0.00 0.00 0.00 43.42 44.16 2gtc n LEU 35 CO 0.34 0.00 0.42 0.49 -0.00 0.00 0.00 177.39 178.64 2gtc n PHE 36 N -0.01 0.00 0.22 1.96 3.01 -0.70 -4.45 117.46 117.49 2gtc n PHE 36 Ca 0.00 0.00 0.07 0.00 1.01 0.00 0.00 57.45 58.53 2gtc n PHE 36 Cb 0.00 -0.07 0.50 0.00 -0.01 0.00 0.00 39.48 39.91 2gtc n PHE 36 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2gtc h ALA 37 N 3.67 1.37 0.00 4.37 0.00 -1.70 -3.07 119.26 123.89 2gtc h ALA 37 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2gtc h ALA 37 Cb 0.62 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2gtc h ALA 37 CO 0.00 0.31 0.00 -1.13 0.00 0.00 0.00 179.25 178.43 2gtc n SER 38 N -3.93 0.21 -4.72 0.00 3.41 -1.26 -4.82 113.62 102.51 2gtc n SER 38 Ca -0.02 0.54 -0.42 0.00 -0.26 0.00 0.00 58.87 58.71 2gtc n SER 38 Cb 0.33 -0.59 -0.03 0.00 -0.26 0.00 0.00 64.21 63.67 2gtc n SER 38 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2gtc s VAL 39 N -3.07 2.79 0.00 -3.33 1.01 -1.16 -4.98 120.40 111.66 2gtc s VAL 39 Ca 0.09 0.57 0.00 0.00 0.00 0.00 0.00 61.98 62.64 2gtc s VAL 39 Cb 0.12 -3.37 0.00 0.00 0.00 0.00 0.00 36.38 33.14 2gtc s VAL 39 CO 0.40 0.05 0.00 0.54 0.00 0.00 0.00 175.10 176.08 2gtc n ARG 40 N 3.86 0.00 0.00 2.72 5.12 -1.26 -5.06 116.66 122.04 2gtc n ARG 40 Ca 0.13 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.05 2gtc n ARG 40 Cb 0.40 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.70 2gtc n ARG 40 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 2gtc n ASP 41 N 0.00 0.00 -3.85 0.55 2.03 -1.26 -4.94 116.55 109.09 2gtc n ASP 41 Ca 0.00 0.00 -0.27 0.00 0.52 0.00 0.00 54.79 55.04 2gtc n ASP 41 Cb 0.00 0.00 -0.17 0.00 -0.72 0.00 0.00 41.12 40.23 2gtc n ASP 41 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2gtc s VAL 42 N 0.00 0.89 -0.16 5.18 1.01 -1.26 -5.13 120.40 120.93 2gtc s VAL 42 Ca 0.00 -0.46 0.01 0.00 0.00 0.00 0.00 61.98 61.53 2gtc s VAL 42 Cb 0.00 -1.10 0.01 0.00 0.00 0.00 0.00 36.38 35.29 2gtc s VAL 42 CO 0.00 0.12 -0.18 -0.69 0.00 0.00 0.00 175.10 174.35 2gtc s VAL 43 N 1.73 2.35 0.77 2.92 1.01 -1.26 -5.12 120.40 122.80 2gtc s VAL 43 Ca 0.02 -0.87 -0.11 0.00 0.00 0.00 0.00 61.98 61.01 2gtc s VAL 43 Cb -0.15 -1.98 0.05 0.00 0.00 0.00 0.00 36.38 34.30 2gtc s VAL 43 CO -0.07 0.53 1.10 -0.83 0.00 0.00 0.00 175.10 175.82 2gtc s GLY 44 N 0.97 1.62 0.02 4.51 0.00 -1.26 -4.89 107.32 108.29 2gtc s GLY 44 Ca -0.03 -0.26 -0.28 0.00 0.00 0.00 0.00 44.72 44.16 2gtc s GLY 44 CO -0.04 0.15 1.17 -1.33 0.00 0.00 0.00 173.10 173.05 2gtc h GLY 45 N -0.94 -0.98 -2.45 0.20 0.00 -2.00 0.35 103.07 97.24 2gtc h GLY 45 Ca -0.46 0.36 0.00 0.00 0.00 0.00 0.00 47.33 47.23 2gtc h GLY 45 CO 0.61 -0.35 0.00 -0.96 0.00 0.00 0.00 176.54 175.83 2gtc n ARG 46 N -5.41 0.66 0.00 4.80 -4.01 -1.26 -1.32 116.66 110.12 2gtc n ARG 46 Ca -0.12 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.69 2gtc n ARG 46 Cb 0.38 -1.17 0.00 0.00 -3.04 0.00 0.00 32.46 28.63 2gtc n ARG 46 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 2gtc n ALA 47 N 1.01 0.00 -2.01 2.89 0.00 -1.20 -5.11 120.51 116.08 2gtc n ALA 47 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.23 2gtc n ALA 47 Cb 0.33 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.81 2gtc n ALA 47 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2gtc s GLY 48 N 0.00 1.80 0.00 0.00 0.00 0.11 -4.96 107.32 104.27 2gtc s GLY 48 Ca 0.00 -1.29 0.27 0.00 0.00 0.00 0.00 44.72 43.70 2gtc s GLY 48 CO 0.00 -1.02 1.69 1.44 0.00 0.00 0.00 173.10 175.21 2gtc n SER 49 N -2.32 0.28 0.08 1.64 7.64 -1.26 -4.29 113.62 115.39 2gtc n SER 49 Ca 0.07 0.04 0.12 0.00 1.01 0.00 0.00 58.87 60.11 2gtc n SER 49 Cb 0.59 -0.12 0.11 0.00 -1.01 0.00 0.00 64.21 63.79 2gtc n SER 49 CO 0.00 0.00 0.00 0.10 -3.01 0.00 0.00 175.04 172.13 2gtc h TYR 50 N 0.07 0.00 0.00 1.43 -0.00 -1.82 -3.32 116.97 113.33 2gtc h TYR 50 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 2gtc h TYR 50 Cb 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.21 2gtc h TYR 50 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 178.16 176.25 2gtc n GLU 51 N -2.36 0.86 -0.07 0.10 0.00 -1.26 -2.67 120.64 115.25 2gtc n GLU 51 Ca 0.02 0.00 -0.06 0.00 0.00 0.00 0.00 57.16 57.12 2gtc n GLU 51 Cb 0.48 -1.27 -0.02 0.00 0.00 0.00 0.00 31.44 30.63 2gtc n GLU 51 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 2gtc n SER 52 N -0.15 1.62 0.13 4.31 2.88 -1.25 -4.12 113.62 117.04 2gtc n SER 52 Ca 0.00 0.45 0.00 0.00 -1.33 0.00 0.00 58.87 57.99 2gtc n SER 52 Cb 0.13 -0.77 0.03 0.00 -0.75 0.00 0.00 64.21 62.85 2gtc n SER 52 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2gtc h LYS 53 N -0.87 0.00 -0.14 -1.46 1.79 -1.82 -1.39 116.57 112.68 2gtc h LYS 53 Ca 0.00 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.42 2gtc h LYS 53 Cb 0.64 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.29 2gtc h LYS 53 CO 0.00 0.61 -0.09 1.25 -1.08 0.00 0.00 179.45 180.14 2gtc h LEU 54 N 0.00 0.32 -0.54 2.94 5.85 -1.77 -1.42 115.31 120.69 2gtc h LEU 54 Ca -0.01 -0.44 -0.03 0.00 0.84 0.00 0.00 57.88 58.25 2gtc h LEU 54 Cb 1.42 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 42.34 2gtc h LEU 54 CO 0.08 0.69 0.22 0.50 -0.34 0.00 0.00 178.44 179.59 2gtc h LYS 55 N -0.05 0.80 -0.72 1.25 3.64 -1.71 -2.36 116.57 117.43 2gtc h LYS 55 Ca 0.03 -0.14 0.07 0.00 -1.27 0.00 0.00 60.65 59.34 2gtc h LYS 55 Cb 0.58 -0.13 -0.06 0.00 -0.41 0.00 0.00 32.23 32.20 2gtc h LYS 55 CO 0.02 0.69 0.40 1.49 -2.27 0.00 0.00 179.45 179.79 2gtc h GLU 56 N 0.73 0.69 -0.42 1.90 4.81 -1.21 0.41 114.58 121.50 2gtc h GLU 56 Ca 0.18 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.38 2gtc h GLU 56 Cb 0.18 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 2gtc h GLU 56 CO -0.02 0.45 0.27 0.00 -0.73 0.00 0.00 179.01 178.99 2gtc h ALA 57 N 1.39 0.53 -0.33 2.92 0.00 -1.10 -2.03 119.26 120.63 2gtc h ALA 57 Ca 0.33 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 2gtc h ALA 57 Cb 0.26 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2gtc h ALA 57 CO -0.21 -0.03 0.15 -0.09 0.00 0.00 0.00 179.25 179.07 2gtc h ARG 58 N 0.56 0.48 -0.95 0.00 2.43 -0.77 -1.57 114.38 114.56 2gtc h ARG 58 Ca 0.15 -0.08 0.03 0.00 -0.81 0.00 0.00 59.98 59.28 2gtc h ARG 58 Cb -0.06 -0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 29.36 2gtc h ARG 58 CO -0.04 0.46 0.62 -0.44 -1.51 0.00 0.00 179.97 179.06 2gtc h ASP 59 N 0.40 1.04 -0.31 -3.80 3.32 -0.90 -2.54 116.42 113.63 2gtc h ASP 59 Ca 0.11 -0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.10 2gtc h ASP 59 Cb 0.14 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 2gtc h ASP 59 CO -0.01 0.72 0.01 0.40 -1.72 0.00 0.00 179.24 178.64 2gtc h ILE 60 N 1.21 1.25 0.00 0.35 2.04 -1.12 0.97 117.51 122.22 2gtc h ILE 60 Ca 0.37 -0.92 0.00 0.00 1.00 0.00 0.00 64.86 65.32 2gtc h ILE 60 Cb -0.02 1.25 0.00 0.00 -0.74 0.00 0.00 36.82 37.31 2gtc h ILE 60 CO -0.11 0.30 0.00 0.00 0.00 0.00 0.00 178.15 178.34 2gtc n ALA 61 N -2.36 1.03 0.00 1.87 0.00 -0.61 -0.56 120.51 119.87 2gtc n ALA 61 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2gtc n ALA 61 Cb 0.25 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.71 2gtc n ALA 61 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2gtc n ASP 63 N 0.42 0.00 -0.38 0.00 10.43 0.33 -4.15 116.55 123.21 2gtc n ASP 63 Ca 0.00 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.36 2gtc n ASP 63 Cb 0.00 0.00 0.00 0.00 1.84 0.00 0.00 41.12 42.96 2gtc n ASP 63 CO 0.00 0.00 0.00 1.21 -1.07 0.00 0.00 177.20 177.34 2gtc n GLU 64 N 0.00 0.00 0.00 -1.24 2.13 0.27 -1.45 120.64 120.35 2gtc n GLU 64 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2gtc n GLU 64 Cb 0.00 -0.99 0.00 0.00 0.27 0.00 0.00 31.44 30.72 2gtc n GLU 64 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2gtc n LYS 66 N 0.25 0.00 -0.14 5.31 5.02 -1.26 -1.46 118.16 125.88 2gtc n LYS 66 Ca 0.00 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.19 2gtc n LYS 66 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.00 2gtc n LYS 66 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 2gtc h GLU 67 N 0.00 0.72 -0.87 1.97 4.81 -1.65 -1.57 114.58 117.98 2gtc h GLU 67 Ca 0.00 -0.22 -0.03 0.00 -0.13 0.00 0.00 59.36 58.98 2gtc h GLU 67 Cb 0.00 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.27 2gtc h GLU 67 CO 0.00 0.79 0.44 1.25 -0.73 0.00 0.00 179.01 180.76 2gtc h LEU 68 N 0.56 1.13 -0.41 1.64 5.85 -1.51 -1.74 115.31 120.82 2gtc h LEU 68 Ca 0.12 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 2gtc h LEU 68 Cb 0.45 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 2gtc h LEU 68 CO 0.02 0.93 0.23 0.00 -0.34 0.00 0.00 178.44 179.28 2gtc h ALA 69 N 1.24 0.53 -0.38 1.25 0.00 -1.78 -2.12 119.26 118.01 2gtc h ALA 69 Ca 0.30 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 55.20 2gtc h ALA 69 Cb 0.09 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 17.65 2gtc h ALA 69 CO -0.04 0.05 -0.04 -0.22 0.00 0.00 0.00 179.25 179.00 2gtc h LYS 70 N 0.54 0.06 0.00 0.00 3.64 -1.10 0.12 116.57 119.83 2gtc h LYS 70 Ca 0.15 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.51 2gtc h LYS 70 Cb 0.05 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 31.86 2gtc h LYS 70 CO -0.02 0.04 -0.08 1.96 -2.27 0.00 0.00 179.45 179.07 2gtc h GLN 71 N 0.06 0.00 -0.01 1.90 1.08 -1.12 -1.38 115.11 115.65 2gtc h GLN 71 Ca 0.19 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.39 2gtc h GLN 71 Cb 0.27 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.70 2gtc h GLN 71 CO -0.35 0.08 -0.08 1.63 -0.95 0.00 0.00 178.83 179.16 2gtc n LYS 72 N -4.00 1.02 -0.40 1.46 5.02 -0.72 -4.91 118.16 115.63 2gtc n LYS 72 Ca -0.03 -0.42 0.00 0.00 -2.02 0.00 0.00 58.31 55.84 2gtc n LYS 72 Cb 0.17 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.69 2gtc n LYS 72 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2gtc n GLY 73 N 1.21 0.79 3.84 0.72 0.00 -0.52 -5.02 105.19 106.21 2gtc n GLY 73 Ca 0.17 -0.11 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 2gtc n GLY 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gtc s ALA 74 N -2.00 3.20 0.00 4.61 0.00 0.33 -4.83 121.76 123.07 2gtc s ALA 74 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 51.96 52.10 2gtc s ALA 74 Cb 0.00 -2.93 0.00 0.00 0.00 0.00 0.00 23.12 20.19 2gtc s ALA 74 CO 0.00 0.14 0.80 0.27 0.00 0.00 0.00 175.76 176.97 2gtc n ASN 75 N -0.76 1.48 -3.55 0.00 6.94 -0.71 -4.10 115.26 114.55 2gtc n ASN 75 Ca 0.05 -1.64 -0.11 0.00 -0.02 0.00 0.00 54.58 52.86 2gtc n ASN 75 Cb 0.54 0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 37.92 2gtc n ASN 75 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2gtc s ALA 76 N -0.64 -1.23 -0.09 -2.53 0.00 -1.00 -4.12 121.76 112.15 2gtc s ALA 76 Ca 0.00 0.17 0.01 0.00 0.00 0.00 0.00 51.96 52.14 2gtc s ALA 76 Cb 0.00 0.80 0.02 0.00 0.00 0.00 0.00 23.12 23.94 2gtc s ALA 76 CO 0.00 -0.72 -0.10 0.42 0.00 0.00 0.00 175.76 175.35 2gtc s ILE 77 N -3.79 1.11 0.30 0.00 1.01 0.86 -1.30 121.20 119.39 2gtc s ILE 77 Ca 0.03 -0.41 0.08 0.00 0.00 0.00 0.00 60.65 60.35 2gtc s ILE 77 Cb 0.00 -1.06 -0.06 0.00 0.01 0.00 0.00 42.46 41.35 2gtc s ILE 77 CO -0.11 0.36 -0.10 0.68 0.00 0.00 0.00 174.94 175.77 2gtc s VAL 78 N 1.11 1.97 -1.30 2.92 -7.23 -0.97 -0.70 120.40 116.20 2gtc s VAL 78 Ca -0.06 -2.20 -0.05 0.00 -1.81 0.00 0.00 61.98 57.87 2gtc s VAL 78 Cb -0.14 -2.46 -0.00 0.00 0.56 0.00 0.00 36.38 34.33 2gtc s VAL 78 CO -0.02 -0.31 0.62 0.61 -0.31 0.00 0.00 175.10 175.69 2gtc n GLY 79 N -0.64 -0.44 3.79 2.32 0.00 0.83 -0.26 105.19 110.80 2gtc n GLY 79 Ca -0.05 0.22 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 2gtc n GLY 79 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2gtc s VAL 80 N -3.73 4.38 -0.03 1.61 1.01 -0.53 -4.17 120.40 118.94 2gtc s VAL 80 Ca 0.11 1.59 0.04 0.00 0.00 0.00 0.00 61.98 63.72 2gtc s VAL 80 Cb -0.04 -3.98 -0.00 0.00 0.00 0.00 0.00 36.38 32.36 2gtc s VAL 80 CO 0.85 0.24 -0.13 -0.62 0.00 0.00 0.00 175.10 175.44 2gtc s ASP 81 N -1.54 1.70 -0.25 3.32 -1.08 0.60 -4.49 116.67 114.93 2gtc s ASP 81 Ca 0.45 -0.27 -0.05 0.00 -0.52 0.00 0.00 52.55 52.15 2gtc s ASP 81 Cb -0.19 -0.44 -0.00 0.00 -1.46 0.00 0.00 42.92 40.83 2gtc s ASP 81 CO 0.23 0.12 0.01 -0.69 0.52 0.00 0.00 175.17 175.36 2gtc s VAL 82 N 0.08 3.62 0.18 1.11 1.01 -1.26 -1.34 120.40 123.80 2gtc s VAL 82 Ca -0.03 -0.59 0.11 0.00 0.00 0.00 0.00 61.98 61.48 2gtc s VAL 82 Cb -0.10 -2.76 -0.04 0.00 0.00 0.00 0.00 36.38 33.48 2gtc s VAL 82 CO 0.01 0.27 -0.24 -0.62 0.00 0.00 0.00 175.10 174.52 2gtc s ASP 83 N 1.48 3.46 -0.05 3.32 2.15 0.11 -5.02 116.67 122.12 2gtc s ASP 83 Ca 0.04 -0.83 0.03 0.00 0.43 0.00 0.00 52.55 52.22 2gtc s ASP 83 Cb -0.16 -0.28 0.00 0.00 -0.30 0.00 0.00 42.92 42.19 2gtc s ASP 83 CO -0.01 0.13 -0.14 -0.31 -0.17 0.00 0.00 175.17 174.68 2gtc s TYR 84 N -1.55 1.50 -0.05 -5.34 1.51 -1.26 -1.60 117.35 110.56 2gtc s TYR 84 Ca 0.20 -0.48 0.02 0.00 -1.01 0.00 0.00 57.07 55.79 2gtc s TYR 84 Cb -0.08 -1.06 0.02 0.00 -0.11 0.00 0.00 41.96 40.73 2gtc s TYR 84 CO 0.09 -0.21 -0.09 -1.21 -1.11 0.00 0.00 175.55 173.02 2gtc s GLU 85 N 0.34 1.33 -0.32 -0.62 0.41 -1.26 -5.01 118.70 113.57 2gtc s GLU 85 Ca -0.09 -0.30 -0.29 0.00 -0.41 0.00 0.00 54.97 53.89 2gtc s GLU 85 Cb -0.13 -1.16 0.02 0.00 -1.78 0.00 0.00 34.13 31.07 2gtc s GLU 85 CO 0.03 -0.00 1.06 0.08 -0.49 0.00 0.00 175.26 175.94 2gtc s VAL 86 N 0.71 4.51 -0.09 2.63 1.01 -1.26 -4.37 120.40 123.54 2gtc s VAL 86 Ca -0.13 1.69 0.13 0.00 0.00 0.00 0.00 61.98 63.68 2gtc s VAL 86 Cb -0.15 -4.41 -0.24 0.00 0.00 0.00 0.00 36.38 31.59 2gtc s VAL 86 CO 0.02 -0.49 0.50 0.52 0.00 0.00 0.00 175.10 175.65 2gtc n VAL 87 N 5.88 1.56 0.00 2.92 0.31 -1.26 -5.00 118.33 122.74 2gtc n VAL 87 Ca 0.12 -0.81 0.00 0.00 -0.01 0.00 0.00 64.34 63.64 2gtc n VAL 87 Cb 0.47 -0.91 0.00 0.00 -0.91 0.00 0.00 33.84 32.49 2gtc n VAL 87 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2gtc n ARG 88 N -2.98 0.00 -2.68 5.55 5.12 -1.26 -5.05 116.66 115.36 2gtc n ARG 88 Ca -0.22 0.00 -0.43 0.00 -1.93 0.00 0.00 57.85 55.28 2gtc n ARG 88 Cb 1.08 0.00 -0.01 0.00 -1.16 0.00 0.00 32.46 32.37 2gtc n ARG 88 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2gtc s ASP 89 N 1.51 6.75 -0.08 0.55 -0.00 -1.26 -5.05 116.67 119.09 2gtc s ASP 89 Ca 0.00 -2.18 -0.03 0.00 -0.00 0.00 0.00 52.55 50.34 2gtc s ASP 89 Cb 0.00 -2.53 0.01 0.00 -0.00 0.00 0.00 42.92 40.41 2gtc s ASP 89 CO 0.00 -1.19 0.07 0.61 -0.00 0.00 0.00 175.17 174.65 2gtc n GLY 90 N 5.66 -3.68 3.27 0.21 0.00 -1.26 -4.79 105.19 104.60 2gtc n GLY 90 Ca 0.39 0.31 -0.02 0.00 0.00 0.00 0.00 46.02 46.70 2gtc n GLY 90 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2gtc n LEU 92 N 0.52 0.00 -3.60 0.99 7.94 -1.26 -4.23 117.00 117.35 2gtc n LEU 92 Ca -0.11 -1.15 -0.06 0.00 -1.11 0.00 0.00 56.01 53.58 2gtc n LEU 92 Cb 0.18 2.30 -0.07 0.00 0.53 0.00 0.00 43.42 46.35 2gtc n LEU 92 CO 0.15 -0.38 0.09 0.54 -1.11 0.00 0.00 177.39 176.67 2gtc s VAL 94 N -2.13 -0.76 -0.18 1.96 0.11 -0.29 -4.45 120.40 114.67 2gtc s VAL 94 Ca 0.20 0.09 -0.03 0.00 -2.93 0.00 0.00 61.98 59.32 2gtc s VAL 94 Cb -0.02 -0.78 -0.01 0.00 -1.53 0.00 0.00 36.38 34.03 2gtc s VAL 94 CO 0.04 0.03 -0.07 0.00 -3.33 0.00 0.00 175.10 171.78 2gtc s ALA 95 N 2.70 2.80 0.10 1.54 0.00 -0.63 -1.74 121.76 126.52 2gtc s ALA 95 Ca -0.00 -1.03 0.06 0.00 0.00 0.00 0.00 51.96 50.99 2gtc s ALA 95 Cb -0.12 -1.54 -0.04 0.00 0.00 0.00 0.00 23.12 21.41 2gtc s ALA 95 CO -0.15 -0.13 -0.05 0.14 0.00 0.00 0.00 175.76 175.57 2gtc s VAL 96 N 0.97 3.69 0.13 0.00 -7.23 0.12 -0.71 120.40 117.37 2gtc s VAL 96 Ca -0.00 -1.14 -0.04 0.00 -1.81 0.00 0.00 61.98 58.98 2gtc s VAL 96 Cb -0.15 -2.75 -0.03 0.00 0.56 0.00 0.00 36.38 34.02 2gtc s VAL 96 CO 0.00 0.10 0.13 -0.94 -0.31 0.00 0.00 175.10 174.09 2gtc s SER 97 N -2.29 0.22 0.00 4.85 1.04 -0.45 -1.32 113.70 115.76 2gtc s SER 97 Ca 0.24 -1.06 0.00 0.00 0.48 0.00 0.00 55.95 55.61 2gtc s SER 97 Cb -0.11 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.35 2gtc s SER 97 CO 0.16 -0.78 0.00 0.61 0.98 0.00 0.00 173.24 174.22 2gtc n GLY 98 N -0.12 0.20 3.50 7.32 0.00 -0.55 -0.29 105.19 115.24 2gtc n GLY 98 Ca -0.07 -0.93 -0.39 0.00 0.00 0.00 0.00 46.02 44.63 2gtc n GLY 98 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2gtc s THR 99 N -2.00 4.95 -0.03 2.61 2.01 0.65 0.46 115.64 124.29 2gtc s THR 99 Ca 0.00 -0.25 -0.30 0.00 0.31 0.00 0.00 61.69 61.45 2gtc s THR 99 Cb 0.00 -3.50 -0.06 0.00 0.01 0.00 0.00 72.50 68.95 2gtc s THR 99 CO 0.00 0.07 1.70 0.00 -0.69 0.00 0.00 174.62 175.71 2gtc s ALA 100 N 1.68 3.62 0.08 7.40 0.00 0.33 -2.30 121.76 132.56 2gtc s ALA 100 Ca 0.06 1.02 0.05 0.00 0.00 0.00 0.00 51.96 53.08 2gtc s ALA 100 Cb -0.17 -3.76 -0.03 0.00 0.00 0.00 0.00 23.12 19.16 2gtc s ALA 100 CO 0.08 -1.40 -0.13 0.08 0.00 0.00 0.00 175.76 174.39 2gtc s VAL 101 N 4.01 1.07 -0.28 0.00 1.01 -0.42 -0.45 120.40 125.34 2gtc s VAL 101 Ca 0.76 -1.35 -0.09 0.00 0.00 0.00 0.00 61.98 61.30 2gtc s VAL 101 Cb -0.35 -1.09 -0.03 0.00 0.00 0.00 0.00 36.38 34.91 2gtc s VAL 101 CO 0.32 -0.28 0.12 -0.60 0.00 0.00 0.00 175.10 174.66 2gtc s ARG 102 N -1.88 3.61 0.00 2.72 6.06 -0.35 -1.74 118.95 127.37 2gtc s ARG 102 Ca -0.01 -0.53 0.13 0.00 -2.50 0.00 0.00 55.73 52.83 2gtc s ARG 102 Cb -0.09 -3.47 0.11 0.00 0.06 0.00 0.00 34.95 31.55 2gtc s ARG 102 CO 0.02 -0.26 0.93 0.44 -2.50 0.00 0.00 175.30 173.92