#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 1.60 -0.13 1.39 -7.23 -1.26 -0.48 120.40 114.29 2gtc s VAL 3 Ca 0.00 -0.81 -0.11 0.00 -1.81 0.00 0.00 61.98 59.25 2gtc s VAL 3 Cb 0.00 -1.37 0.04 0.00 0.56 0.00 0.00 36.38 35.61 2gtc s VAL 3 CO 0.00 0.46 0.34 0.28 -0.31 0.00 0.00 175.10 175.86 2gtc s THR 4 N 0.00 -0.01 -1.19 5.32 -1.32 -0.34 -4.99 115.64 113.12 2gtc s THR 4 Ca -0.04 0.03 0.29 0.00 -1.21 0.00 0.00 61.69 60.76 2gtc s THR 4 Cb -0.12 -0.48 0.34 0.00 -1.51 0.00 0.00 72.50 70.72 2gtc s THR 4 CO 0.03 0.01 1.94 0.35 -2.21 0.00 0.00 174.62 174.74 2gtc n THR 5 N 3.22 0.00 -1.68 5.08 -2.24 -1.26 -0.74 114.28 116.66 2gtc n THR 5 Ca -0.16 -0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.31 2gtc n THR 5 Cb 0.57 -0.43 0.04 0.00 -2.10 0.00 0.00 70.33 68.40 2gtc n THR 5 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2gtc s THR 6 N -2.82 4.23 -0.60 4.28 -4.23 -1.26 -4.38 115.64 110.86 2gtc s THR 6 Ca 0.20 0.74 0.25 0.00 -1.18 0.00 0.00 61.69 61.70 2gtc s THR 6 Cb 0.19 -3.54 0.27 0.00 1.34 0.00 0.00 72.50 70.76 2gtc s THR 6 CO 0.51 -0.94 1.75 -1.54 -0.54 0.00 0.00 174.62 173.87 2gtc n SER 7 N -2.97 0.78 -1.51 3.99 3.41 -1.26 -0.94 113.62 115.11 2gtc n SER 7 Ca 0.07 0.62 -0.03 0.00 -0.26 0.00 0.00 58.87 59.27 2gtc n SER 7 Cb 0.54 -0.81 -0.00 0.00 -0.26 0.00 0.00 64.21 63.67 2gtc n SER 7 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2gtc n GLY 8 N 0.71 2.51 3.07 5.00 0.00 -1.26 -4.54 105.19 110.67 2gtc n GLY 8 Ca 0.04 -1.33 -0.31 0.00 0.00 0.00 0.00 46.02 44.42 2gtc n GLY 8 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2gtc s ILE 9 N -2.61 1.76 0.15 -0.61 1.01 -1.26 -4.95 121.20 114.69 2gtc s ILE 9 Ca 0.07 -0.76 -0.30 0.00 0.00 0.00 0.00 60.65 59.65 2gtc s ILE 9 Cb -0.01 -1.61 -0.08 0.00 0.01 0.00 0.00 42.46 40.78 2gtc s ILE 9 CO 0.05 0.49 1.28 -1.10 0.00 0.00 0.00 174.94 175.66 2gtc s GLN 10 N 1.28 4.40 0.00 2.79 -0.21 -1.26 -2.85 119.66 123.81 2gtc s GLN 10 Ca 0.02 1.97 0.00 0.00 0.02 0.00 0.00 55.36 57.37 2gtc s GLN 10 Cb -0.13 -3.24 0.00 0.00 1.00 0.00 0.00 33.01 30.63 2gtc s GLN 10 CO -0.09 -0.26 0.00 0.41 -2.12 0.00 0.00 175.29 173.23 2gtc n GLY 11 N 2.73 1.36 2.86 3.09 0.00 -1.26 -4.96 105.19 109.01 2gtc n GLY 11 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.13 1.30 0.37 1.61 1.02 -1.13 -5.11 119.74 117.67 2gtc s LYS 12 Ca 0.00 -1.80 -0.28 0.00 0.02 0.00 0.00 55.97 53.91 2gtc s LYS 12 Cb 0.00 -2.69 -0.11 0.00 -0.52 0.00 0.00 37.83 34.51 2gtc s LYS 12 CO 0.00 -1.03 1.41 0.39 -0.92 0.00 0.00 175.35 175.20 2gtc n GLU 13 N 4.07 2.45 -2.67 1.68 1.02 -1.26 -4.65 120.64 121.28 2gtc n GLU 13 Ca 0.03 0.86 -0.43 0.00 -0.02 0.00 0.00 57.16 57.61 2gtc n GLU 13 Cb 0.39 -2.55 -0.02 0.00 -0.02 0.00 0.00 31.44 29.23 2gtc n GLU 13 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2gtc s ILE 14 N -1.12 4.61 0.00 -3.67 1.01 -1.26 -4.57 121.20 116.20 2gtc s ILE 14 Ca 0.55 1.83 -0.21 0.00 0.00 0.00 0.00 60.65 62.82 2gtc s ILE 14 Cb -0.50 -4.35 -0.21 0.00 0.01 0.00 0.00 42.46 37.41 2gtc s ILE 14 CO 0.63 -0.32 1.14 0.40 0.00 0.00 0.00 174.94 176.79 2gtc h ILE 15 N 5.59 1.44 -3.29 2.92 2.04 -0.66 -3.47 117.51 122.07 2gtc h ILE 15 Ca -0.20 -1.87 -0.19 0.00 1.00 0.00 0.00 64.86 63.60 2gtc h ILE 15 Cb 1.06 2.45 -0.27 0.00 -0.74 0.00 0.00 36.82 39.33 2gtc h ILE 15 CO 1.00 0.54 -0.52 -0.70 0.00 0.00 0.00 178.15 178.47 2gtc s GLU 16 N -3.44 0.20 -0.49 2.37 2.12 -1.18 -5.00 118.70 113.27 2gtc s GLU 16 Ca -0.14 0.26 -0.16 0.00 0.36 0.00 0.00 54.97 55.29 2gtc s GLU 16 Cb 0.03 0.08 0.08 0.00 0.26 0.00 0.00 34.13 34.58 2gtc s GLU 16 CO 0.79 -0.04 0.47 0.71 -0.54 0.00 0.00 175.26 176.65 2gtc s TYR 17 N 0.20 3.19 -0.11 5.30 1.51 -1.26 -1.37 117.35 124.81 2gtc s TYR 17 Ca -0.01 -0.89 -0.03 0.00 -1.01 0.00 0.00 57.07 55.13 2gtc s TYR 17 Cb -0.02 -3.36 -0.02 0.00 -0.11 0.00 0.00 41.96 38.45 2gtc s TYR 17 CO -0.00 -0.89 -0.01 0.82 -1.11 0.00 0.00 175.55 174.35 2gtc h ILE 18 N 5.80 0.07 -1.92 2.71 2.04 -1.74 -3.50 117.51 120.96 2gtc h ILE 18 Ca -0.28 -1.06 0.08 0.00 1.00 0.00 0.00 64.86 64.60 2gtc h ILE 18 Cb 1.10 0.13 -0.19 0.00 -0.74 0.00 0.00 36.82 37.13 2gtc h ILE 18 CO 0.93 0.02 0.49 -0.62 0.00 0.00 0.00 178.15 178.97 2gtc s ASP 19 N -5.62 -0.39 -0.10 1.72 2.15 -1.19 -5.02 116.67 108.21 2gtc s ASP 19 Ca -0.04 0.24 -0.30 0.00 0.43 0.00 0.00 52.55 52.89 2gtc s ASP 19 Cb 0.00 0.36 -0.02 0.00 -0.30 0.00 0.00 42.92 42.96 2gtc s ASP 19 CO 0.07 -0.49 1.19 -0.63 -0.17 0.00 0.00 175.17 175.14 2gtc s ILE 20 N -2.04 4.35 0.31 4.11 1.01 -1.26 0.59 121.20 128.26 2gtc s ILE 20 Ca 0.01 1.65 0.08 0.00 0.00 0.00 0.00 60.65 62.39 2gtc s ILE 20 Cb -0.01 -4.06 -0.04 0.00 0.01 0.00 0.00 42.46 38.36 2gtc s ILE 20 CO -0.03 -0.05 0.13 0.68 0.00 0.00 0.00 174.94 175.67 2gtc s VAL 21 N 2.62 3.42 -0.07 2.92 -7.23 -0.03 -4.88 120.40 117.14 2gtc s VAL 21 Ca 0.54 -1.67 -0.11 0.00 -1.81 0.00 0.00 61.98 58.93 2gtc s VAL 21 Cb -0.22 -3.03 0.02 0.00 0.56 0.00 0.00 36.38 33.71 2gtc s VAL 21 CO 0.18 -0.26 0.28 0.20 -0.31 0.00 0.00 175.10 175.20 2gtc s ASN 22 N -3.82 -0.24 0.02 4.85 0.01 -1.26 -2.25 114.94 112.25 2gtc s ASN 22 Ca 0.36 0.37 0.00 0.00 -0.71 0.00 0.00 52.86 52.88 2gtc s ASN 22 Cb -0.05 0.48 -0.02 0.00 0.41 0.00 0.00 41.25 42.08 2gtc s ASN 22 CO 0.23 -0.23 -0.03 -0.83 -1.51 0.00 0.00 177.10 174.72 2gtc s GLY 23 N -0.42 0.24 0.14 0.66 0.00 -0.42 -4.95 107.32 102.57 2gtc s GLY 23 Ca -0.05 -0.51 0.01 0.00 0.00 0.00 0.00 44.72 44.16 2gtc s GLY 23 CO 0.02 -0.56 0.01 -0.54 0.00 0.00 0.00 173.10 172.03 2gtc s GLU 24 N -1.19 0.98 -0.03 2.90 8.01 -1.26 0.19 118.70 128.30 2gtc s GLU 24 Ca -0.12 -1.46 -0.15 0.00 0.01 0.00 0.00 54.97 53.25 2gtc s GLU 24 Cb -0.08 -0.05 0.03 0.00 -4.31 0.00 0.00 34.13 29.72 2gtc s GLU 24 CO -0.01 -0.16 0.33 0.00 0.01 0.00 0.00 175.26 175.43 2gtc s ALA 25 N -3.81 -0.83 0.00 5.21 0.00 -0.73 -4.01 121.76 117.60 2gtc s ALA 25 Ca 0.21 0.45 0.00 0.00 0.00 0.00 0.00 51.96 52.62 2gtc s ALA 25 Cb 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 23.12 23.18 2gtc s ALA 25 CO 0.01 -0.25 0.00 -0.89 0.00 0.00 0.00 175.76 174.63 2gtc n ILE 26 N 1.46 0.00 -4.47 0.00 5.41 -1.26 -1.47 119.36 119.03 2gtc n ILE 26 Ca -0.20 0.00 -0.23 0.00 1.00 0.00 0.00 62.75 63.31 2gtc n ILE 26 Cb 0.56 0.00 -0.10 0.00 -0.71 0.00 0.00 39.64 39.39 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 -0.43 1.93 0.21 7.39 0.00 -1.26 -5.03 107.32 110.13 2gtc s GLY 28 Ca 0.00 -1.94 -0.09 0.00 0.00 0.00 0.00 44.72 42.70 2gtc s GLY 28 CO 0.00 -1.94 1.76 0.00 0.00 0.00 0.00 173.10 172.92 2gtc h ALA 29 N 2.22 0.85 -0.51 3.20 0.00 -1.99 -1.85 119.26 121.18 2gtc h ALA 29 Ca -0.40 0.06 0.10 0.00 0.00 0.00 0.00 54.91 54.67 2gtc h ALA 29 Cb 1.25 -0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.93 2gtc h ALA 29 CO 0.66 -0.12 -0.17 -0.97 0.00 0.00 0.00 179.25 178.65 2gtc h ASN 30 N 0.50 -0.60 0.03 0.00 -1.24 -2.00 -2.16 115.58 110.12 2gtc h ASN 30 Ca 0.32 0.17 -0.00 0.00 0.71 0.00 0.00 56.30 57.49 2gtc h ASN 30 Cb 0.35 0.36 0.00 0.00 0.73 0.00 0.00 38.32 39.76 2gtc h ASN 30 CO -0.27 -0.20 -0.02 0.40 -1.29 0.00 0.00 177.43 176.05 2gtc h ILE 31 N -0.05 1.03 0.00 2.57 1.08 -1.74 -1.36 117.51 119.05 2gtc h ILE 31 Ca 0.24 -0.20 0.03 0.00 -0.39 0.00 0.00 64.86 64.55 2gtc h ILE 31 Cb 0.42 1.17 -0.04 0.00 -3.07 0.00 0.00 36.82 35.29 2gtc h ILE 31 CO -0.55 0.05 -0.23 0.58 -0.69 0.00 0.00 178.15 177.31 2gtc h VAL 32 N -0.13 0.47 -0.12 1.67 2.07 -1.33 -2.88 116.25 115.99 2gtc h VAL 32 Ca -0.00 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.56 2gtc h VAL 32 Cb 0.12 0.47 -0.06 0.00 -1.52 0.00 0.00 31.29 30.29 2gtc h VAL 32 CO 0.01 0.00 -0.40 -0.09 0.02 0.00 0.00 177.57 177.11 2gtc h ARG 33 N -0.36 -0.46 0.00 1.57 2.43 -1.27 0.13 114.38 116.42 2gtc h ARG 33 Ca 0.06 0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.26 2gtc h ARG 33 Cb 0.44 0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 30.10 2gtc h ARG 33 CO -0.21 -0.31 -0.03 -0.44 -1.51 0.00 0.00 179.97 177.47 2gtc h ASP 34 N -0.48 0.00 0.00 -3.80 5.19 -1.11 -0.07 116.42 116.15 2gtc h ASP 34 Ca 0.08 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.44 2gtc h ASP 34 Cb 0.61 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.11 2gtc h ASP 34 CO -0.38 0.03 -1.30 0.18 -3.12 0.00 0.00 179.24 174.66 2gtc n LEU 35 N -3.28 0.00 -0.07 1.55 4.77 -1.10 -4.68 117.00 114.19 2gtc n LEU 35 Ca -0.02 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.79 2gtc n LEU 35 Cb 0.18 0.07 -0.13 0.00 -2.33 0.00 0.00 43.42 41.20 2gtc n LEU 35 CO 0.25 0.07 -1.07 0.49 -1.33 0.00 0.00 177.39 175.80 2gtc n PHE 36 N -1.97 0.51 -0.06 -1.77 3.01 0.43 -4.38 117.46 113.23 2gtc n PHE 36 Ca -0.05 0.12 0.17 0.00 1.01 0.00 0.00 57.45 58.70 2gtc n PHE 36 Cb 0.44 -1.07 0.59 0.00 -0.01 0.00 0.00 39.48 39.42 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 0.24 2.27 0.00 4.37 0.00 -1.09 -1.61 119.26 123.44 2gtc h ALA 37 Ca -0.50 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2gtc h ALA 37 Cb 2.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.77 2gtc h ALA 37 CO -0.00 -0.43 0.00 0.66 0.00 0.00 0.00 179.25 179.48 2gtc h SER 38 N 0.22 0.00 -2.98 0.00 4.64 -1.78 -3.46 113.55 110.19 2gtc h SER 38 Ca 0.29 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 61.08 2gtc h SER 38 Cb 0.84 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.96 2gtc h SER 38 CO -0.06 0.00 0.77 -0.69 -0.87 0.00 0.00 176.83 175.99 2gtc s VAL 39 N -3.50 3.04 -0.18 0.95 1.01 -0.61 -4.95 120.40 116.16 2gtc s VAL 39 Ca 0.03 0.76 -0.08 0.00 0.00 0.00 0.00 61.98 62.69 2gtc s VAL 39 Cb 0.08 -3.49 -0.08 0.00 0.00 0.00 0.00 36.38 32.89 2gtc s VAL 39 CO 0.58 0.06 -0.22 0.54 0.00 0.00 0.00 175.10 176.06 2gtc n ARG 40 N 3.81 0.38 0.00 2.72 1.74 -1.26 -5.06 116.66 119.00 2gtc n ARG 40 Ca 0.12 0.16 0.00 0.00 -0.77 0.00 0.00 57.85 57.36 2gtc n ARG 40 Cb 0.41 -1.16 0.00 0.00 -1.02 0.00 0.00 32.46 30.69 2gtc n ARG 40 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2gtc n ASP 41 N -3.73 0.00 -4.23 0.55 4.64 -1.26 -5.09 116.55 107.43 2gtc n ASP 41 Ca -0.35 0.00 -0.33 0.00 -1.38 0.00 0.00 54.79 52.73 2gtc n ASP 41 Cb 0.76 0.00 -0.15 0.00 -1.04 0.00 0.00 41.12 40.68 2gtc n ASP 41 CO 0.00 0.00 0.00 -0.69 -0.82 0.00 0.00 177.20 175.69 2gtc s VAL 42 N 2.18 2.57 -0.14 5.18 1.01 -1.26 -5.11 120.40 124.84 2gtc s VAL 42 Ca 0.00 -0.79 -0.00 0.00 0.00 0.00 0.00 61.98 61.19 2gtc s VAL 42 Cb 0.00 -2.10 0.03 0.00 0.00 0.00 0.00 36.38 34.31 2gtc s VAL 42 CO 0.00 0.51 -0.10 -0.69 0.00 0.00 0.00 175.10 174.81 2gtc s VAL 43 N 1.04 1.30 0.96 2.92 1.01 -1.26 -5.14 120.40 121.23 2gtc s VAL 43 Ca -0.01 -0.50 -0.16 0.00 0.00 0.00 0.00 61.98 61.32 2gtc s VAL 43 Cb -0.15 -1.28 0.21 0.00 0.00 0.00 0.00 36.38 35.16 2gtc s VAL 43 CO -0.04 0.38 1.32 -0.83 0.00 0.00 0.00 175.10 175.93 2gtc s GLY 44 N 1.59 1.79 -0.03 4.51 0.00 -1.26 -4.85 107.32 109.08 2gtc s GLY 44 Ca 0.04 -1.27 -0.25 0.00 0.00 0.00 0.00 44.72 43.24 2gtc s GLY 44 CO -0.09 -0.49 1.19 -1.33 0.00 0.00 0.00 173.10 172.38 2gtc h GLY 45 N -1.63 -0.08 0.12 0.20 0.00 -2.01 0.99 103.07 100.66 2gtc h GLY 45 Ca -0.44 0.03 0.06 0.00 0.00 0.00 0.00 47.33 46.98 2gtc h GLY 45 CO 0.36 -0.03 -0.27 3.21 0.00 0.00 0.00 176.54 179.81 2gtc h ARG 46 N -0.59 -0.28 0.01 4.80 3.08 -1.99 -3.14 114.38 116.26 2gtc h ARG 46 Ca -0.01 0.02 -0.20 0.00 0.07 0.00 0.00 59.98 59.86 2gtc h ARG 46 Cb 0.51 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.61 2gtc h ARG 46 CO 0.01 -0.19 -0.90 0.00 -1.07 0.00 0.00 179.97 177.82 2gtc h ALA 47 N 0.68 0.48 -2.74 0.04 0.00 -1.97 -3.47 119.26 112.29 2gtc h ALA 47 Ca 0.13 -0.73 -0.51 0.00 0.00 0.00 0.00 54.91 53.79 2gtc h ALA 47 Cb 0.49 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 18.24 2gtc h ALA 47 CO -0.39 0.91 0.54 0.20 0.00 0.00 0.00 179.25 180.51 2gtc s GLY 48 N -4.51 2.85 0.49 0.00 0.00 0.34 -4.94 107.32 101.55 2gtc s GLY 48 Ca -0.03 0.97 0.29 0.00 0.00 0.00 0.00 44.72 45.95 2gtc s GLY 48 CO 0.84 1.74 1.84 1.48 0.00 0.00 0.00 173.10 178.99 2gtc h SER 49 N 4.52 0.00 0.65 1.64 4.64 -1.87 -2.93 113.55 120.20 2gtc h SER 49 Ca -0.46 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.83 2gtc h SER 49 Cb 1.21 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.30 2gtc h SER 49 CO 0.71 0.00 -0.15 0.10 -0.87 0.00 0.00 176.83 176.62 2gtc h TYR 50 N 0.00 0.00 -0.03 4.77 -0.00 -1.92 -3.35 116.97 116.44 2gtc h TYR 50 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 58.73 58.66 2gtc h TYR 50 Cb 0.67 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 37.39 2gtc h TYR 50 CO 0.00 0.15 -0.30 1.49 -0.00 0.00 0.00 178.16 179.50 2gtc h GLU 51 N 0.00 0.05 0.03 0.10 4.22 -1.76 -2.78 114.58 114.44 2gtc h GLU 51 Ca -0.00 -0.02 -0.25 0.00 0.08 0.00 0.00 59.36 59.17 2gtc h GLU 51 Cb 0.52 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.77 2gtc h GLU 51 CO 0.02 0.35 -1.05 0.66 -2.18 0.00 0.00 179.01 176.81 2gtc h SER 52 N 0.04 0.68 -0.25 1.04 4.64 -1.81 -0.83 113.55 117.07 2gtc h SER 52 Ca 0.00 -0.57 -0.19 0.00 -0.47 0.00 0.00 61.79 60.56 2gtc h SER 52 Cb 0.56 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 2gtc h SER 52 CO 0.04 1.38 -0.59 0.11 -0.87 0.00 0.00 176.83 176.90 2gtc h LYS 53 N 0.27 0.86 -0.18 4.77 1.79 -1.79 -1.74 116.57 120.54 2gtc h LYS 53 Ca -0.12 -0.57 -0.01 0.00 -2.18 0.00 0.00 60.65 57.77 2gtc h LYS 53 Cb 1.70 0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 32.43 2gtc h LYS 53 CO 0.19 1.20 0.07 1.25 -1.08 0.00 0.00 179.45 181.08 2gtc h LEU 54 N 0.64 0.26 -1.33 2.94 5.85 -1.51 -0.06 115.31 122.10 2gtc h LEU 54 Ca 0.00 -0.18 -0.03 0.00 0.84 0.00 0.00 57.88 58.51 2gtc h LEU 54 Cb 1.21 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 42.15 2gtc h LEU 54 CO 0.13 0.37 0.09 0.50 -0.34 0.00 0.00 178.44 179.19 2gtc h LYS 55 N 0.13 0.54 -0.33 1.25 3.64 -1.19 -0.59 116.57 120.01 2gtc h LYS 55 Ca 0.06 -0.09 -0.06 0.00 -1.27 0.00 0.00 60.65 59.29 2gtc h LYS 55 Cb 0.20 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.91 2gtc h LYS 55 CO -0.00 0.50 -0.03 1.49 -2.27 0.00 0.00 179.45 179.14 2gtc h GLU 56 N 0.53 0.61 -0.69 1.90 4.81 -1.10 0.04 114.58 120.69 2gtc h GLU 56 Ca 0.12 -0.21 0.02 0.00 -0.13 0.00 0.00 59.36 59.16 2gtc h GLU 56 Cb 0.21 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.50 2gtc h GLU 56 CO -0.00 0.76 0.44 0.00 -0.73 0.00 0.00 179.01 179.47 2gtc h ALA 57 N 0.83 0.89 -0.47 2.92 0.00 -0.60 -1.67 119.26 121.17 2gtc h ALA 57 Ca 0.09 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 2gtc h ALA 57 Cb 0.50 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 2gtc h ALA 57 CO 0.02 0.24 -0.03 -0.09 0.00 0.00 0.00 179.25 179.39 2gtc h ARG 58 N 0.88 0.84 -0.17 0.00 2.43 -1.05 -2.34 114.38 114.98 2gtc h ARG 58 Ca 0.27 -0.28 -0.09 0.00 -0.81 0.00 0.00 59.98 59.06 2gtc h ARG 58 Cb -0.03 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.44 2gtc h ARG 58 CO -0.09 0.91 -0.29 -0.44 -1.51 0.00 0.00 179.97 178.55 2gtc h ASP 59 N 0.69 0.33 -0.29 -3.80 5.19 -0.89 -2.87 116.42 114.78 2gtc h ASP 59 Ca 0.13 -0.11 -0.05 0.00 -0.62 0.00 0.00 57.03 56.37 2gtc h ASP 59 Cb 0.55 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 39.95 2gtc h ASP 59 CO 0.03 0.62 -0.02 0.40 -3.12 0.00 0.00 179.24 177.15 2gtc h ILE 60 N 0.29 1.27 0.00 0.35 2.04 -1.23 -1.42 117.51 118.81 2gtc h ILE 60 Ca 0.04 -0.99 0.00 0.00 1.00 0.00 0.00 64.86 64.91 2gtc h ILE 60 Cb 0.67 1.34 0.00 0.00 -0.74 0.00 0.00 36.82 38.09 2gtc h ILE 60 CO 0.05 0.32 0.00 0.00 0.00 0.00 0.00 178.15 178.52 2gtc n ALA 61 N -2.37 1.01 0.00 1.87 0.00 -0.89 -1.95 120.51 118.18 2gtc n ALA 61 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2gtc n ALA 61 Cb 0.27 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 18.78 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 0.54 0.00 -0.82 0.00 8.00 -0.54 -4.22 116.55 119.52 2gtc n ASP 63 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 2gtc n ASP 63 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 2gtc n ASP 63 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 2gtc n GLU 64 N 0.00 0.76 0.00 -1.24 2.13 -0.82 -1.21 120.64 120.26 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 -1.22 0.00 0.00 0.27 0.00 0.00 31.44 30.49 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 0.44 0.00 -0.19 5.31 5.02 -1.26 -1.98 118.16 125.49 2gtc n LYS 66 Ca 0.00 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.25 2gtc n LYS 66 Cb 0.31 0.00 0.14 0.00 -0.02 0.00 0.00 35.03 35.46 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 0.97 -0.32 1.97 4.57 -1.57 -1.20 114.58 119.00 2gtc h GLU 67 Ca 0.00 -0.19 -0.09 0.00 -1.18 0.00 0.00 59.36 57.89 2gtc h GLU 67 Cb 0.00 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.43 2gtc h GLU 67 CO 0.00 0.84 -0.16 1.25 -1.18 0.00 0.00 179.01 179.76 2gtc h LEU 68 N 0.94 0.70 -0.09 1.64 5.85 -1.66 -2.33 115.31 120.36 2gtc h LEU 68 Ca 0.21 -0.41 0.04 0.00 0.84 0.00 0.00 57.88 58.55 2gtc h LEU 68 Cb 0.28 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.07 2gtc h LEU 68 CO -0.01 0.95 -0.16 0.00 -0.34 0.00 0.00 178.44 178.88 2gtc h ALA 69 N 0.77 -0.13 -0.81 1.25 0.00 -1.79 -2.17 119.26 116.37 2gtc h ALA 69 Ca 0.07 0.03 0.12 0.00 0.00 0.00 0.00 54.91 55.13 2gtc h ALA 69 Cb 0.69 0.32 -0.08 0.00 0.00 0.00 0.00 17.79 18.72 2gtc h ALA 69 CO 0.05 -0.63 0.43 -0.22 0.00 0.00 0.00 179.25 178.88 2gtc h LYS 70 N -0.23 0.67 0.00 0.00 3.64 -1.24 -0.62 116.57 118.79 2gtc h LYS 70 Ca 0.08 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.41 2gtc h LYS 70 Cb 0.34 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.01 2gtc h LYS 70 CO -0.22 0.44 -0.07 1.96 -2.27 0.00 0.00 179.45 179.29 2gtc h GLN 71 N 0.69 0.00 -0.03 1.90 1.08 -0.90 -2.44 115.11 115.40 2gtc h GLN 71 Ca 0.42 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.62 2gtc h GLN 71 Cb 0.48 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.91 2gtc h GLN 71 CO -0.30 0.07 0.00 1.63 -0.95 0.00 0.00 178.83 179.28 2gtc n LYS 72 N -3.38 1.88 -0.38 1.46 5.02 -0.30 -4.94 118.16 117.53 2gtc n LYS 72 Ca -0.01 -1.29 0.00 0.00 -2.02 0.00 0.00 58.31 54.99 2gtc n LYS 72 Cb 0.23 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.77 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 1.23 0.78 3.84 0.72 0.00 -0.92 -5.03 105.19 105.82 2gtc n GLY 73 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.18 3.02 0.00 4.61 0.00 -0.83 -4.87 121.76 121.51 2gtc s ALA 74 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 51.96 52.14 2gtc s ALA 74 Cb 0.00 -3.13 0.00 0.00 0.00 0.00 0.00 23.12 19.99 2gtc s ALA 74 CO 0.00 -0.36 0.76 0.27 0.00 0.00 0.00 175.76 176.43 2gtc n ASN 75 N -1.76 1.20 -3.63 0.00 6.94 -0.70 -4.27 115.26 113.04 2gtc n ASN 75 Ca 0.07 -1.56 -0.15 0.00 -0.02 0.00 0.00 54.58 52.92 2gtc n ASN 75 Cb 0.54 0.00 -0.07 0.00 -2.36 0.00 0.00 39.78 37.89 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 -0.56 -1.24 -0.09 -2.53 0.00 -1.04 -3.75 121.76 112.54 2gtc s ALA 76 Ca 0.00 0.66 0.04 0.00 0.00 0.00 0.00 51.96 52.65 2gtc s ALA 76 Cb 0.00 0.20 0.00 0.00 0.00 0.00 0.00 23.12 23.32 2gtc s ALA 76 CO 0.00 -0.40 -0.21 0.42 0.00 0.00 0.00 175.76 175.57 2gtc s ILE 77 N -1.83 1.85 0.27 0.00 1.01 0.36 -0.22 121.20 122.64 2gtc s ILE 77 Ca -0.09 -0.90 0.11 0.00 0.00 0.00 0.00 60.65 59.78 2gtc s ILE 77 Cb -0.02 -1.62 -0.05 0.00 0.01 0.00 0.00 42.46 40.79 2gtc s ILE 77 CO 0.03 0.51 -0.20 0.68 0.00 0.00 0.00 174.94 175.97 2gtc s VAL 78 N 0.45 2.38 -1.32 2.92 -7.23 -0.70 -1.20 120.40 115.69 2gtc s VAL 78 Ca -0.17 -2.36 -0.06 0.00 -1.81 0.00 0.00 61.98 57.58 2gtc s VAL 78 Cb -0.17 -2.26 0.01 0.00 0.56 0.00 0.00 36.38 34.52 2gtc s VAL 78 CO 0.07 -0.41 0.79 0.61 -0.31 0.00 0.00 175.10 175.86 2gtc n GLY 79 N -0.54 -0.40 3.71 2.32 0.00 -0.12 -0.53 105.19 109.63 2gtc n GLY 79 Ca -0.06 0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 -3.20 3.15 -0.08 1.61 1.01 0.08 -4.31 120.40 118.66 2gtc s VAL 80 Ca 0.39 0.75 0.01 0.00 0.00 0.00 0.00 61.98 63.14 2gtc s VAL 80 Cb -0.17 -3.48 -0.03 0.00 0.00 0.00 0.00 36.38 32.70 2gtc s VAL 80 CO 0.49 0.04 -0.11 -0.62 0.00 0.00 0.00 175.10 174.90 2gtc s ASP 81 N 1.48 4.31 -0.19 3.32 3.68 0.75 -4.38 116.67 125.64 2gtc s ASP 81 Ca 0.68 -0.15 -0.03 0.00 2.13 0.00 0.00 52.55 55.18 2gtc s ASP 81 Cb -0.38 -1.15 -0.01 0.00 -1.45 0.00 0.00 42.92 39.92 2gtc s ASP 81 CO 0.30 0.31 -0.07 -0.69 0.13 0.00 0.00 175.17 175.15 2gtc s VAL 82 N -0.51 3.30 0.06 1.11 1.01 -1.26 -1.03 120.40 123.07 2gtc s VAL 82 Ca 0.07 -0.54 0.07 0.00 0.00 0.00 0.00 61.98 61.59 2gtc s VAL 82 Cb -0.12 -2.47 -0.03 0.00 0.00 0.00 0.00 36.38 33.76 2gtc s VAL 82 CO 0.02 0.46 -0.18 -0.62 0.00 0.00 0.00 175.10 174.78 2gtc s ASP 83 N 1.07 3.84 -0.13 3.32 3.68 0.32 -4.98 116.67 123.79 2gtc s ASP 83 Ca 0.01 -0.45 0.03 0.00 2.13 0.00 0.00 52.55 54.26 2gtc s ASP 83 Cb -0.15 -0.61 0.01 0.00 -1.45 0.00 0.00 42.92 40.72 2gtc s ASP 83 CO -0.01 0.24 -0.22 -0.31 0.13 0.00 0.00 175.17 175.00 2gtc s TYR 84 N -0.98 2.66 -0.07 -5.34 1.51 -1.26 -0.70 117.35 113.17 2gtc s TYR 84 Ca 0.15 -1.21 -0.00 0.00 -1.01 0.00 0.00 57.07 55.01 2gtc s TYR 84 Cb -0.11 -1.79 0.02 0.00 -0.11 0.00 0.00 41.96 39.97 2gtc s TYR 84 CO 0.06 -0.53 -0.04 -1.21 -1.11 0.00 0.00 175.55 172.73 2gtc s GLU 85 N 0.66 0.96 -0.59 -0.62 0.41 -1.26 -5.01 118.70 113.24 2gtc s GLU 85 Ca -0.10 -0.07 -0.27 0.00 -0.41 0.00 0.00 54.97 54.11 2gtc s GLU 85 Cb -0.16 -1.10 0.01 0.00 -1.78 0.00 0.00 34.13 31.09 2gtc s GLU 85 CO 0.02 -0.21 1.52 0.08 -0.49 0.00 0.00 175.26 176.18 2gtc s VAL 86 N 1.51 3.65 -0.13 2.63 1.01 -1.26 -4.43 120.40 123.37 2gtc s VAL 86 Ca -0.01 0.49 -0.07 0.00 0.00 0.00 0.00 61.98 62.39 2gtc s VAL 86 Cb -0.13 -4.36 -0.03 0.00 0.00 0.00 0.00 36.38 31.86 2gtc s VAL 86 CO -0.04 -1.19 -0.09 0.58 0.00 0.00 0.00 175.10 174.36 2gtc h VAL 87 N 6.46 0.07 -1.69 2.92 2.07 -1.94 -3.46 116.25 120.68 2gtc h VAL 87 Ca -0.27 -1.07 -0.47 0.00 0.82 0.00 0.00 66.70 65.70 2gtc h VAL 87 Cb 1.11 0.15 0.06 0.00 -1.52 0.00 0.00 31.29 31.09 2gtc h VAL 87 CO 1.20 0.02 0.03 0.00 0.02 0.00 0.00 177.57 178.84 2gtc s ARG 88 N -2.03 1.92 0.05 1.57 1.70 -1.26 -5.02 118.95 115.88 2gtc s ARG 88 Ca -0.11 -1.29 -0.09 0.00 -0.47 0.00 0.00 55.73 53.77 2gtc s ARG 88 Cb 0.01 -2.45 -0.02 0.00 -0.57 0.00 0.00 34.95 31.93 2gtc s ARG 88 CO 0.17 -1.22 1.00 -3.47 -1.08 0.00 0.00 175.30 170.71 2gtc n ASP 89 N -2.61 -0.31 -0.40 -2.89 4.64 -1.26 -4.85 116.55 108.86 2gtc n ASP 89 Ca 0.15 1.08 0.01 0.00 -1.38 0.00 0.00 54.79 54.64 2gtc n ASP 89 Cb 0.61 -0.34 0.03 0.00 -1.04 0.00 0.00 41.12 40.38 2gtc n ASP 89 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 2gtc n GLY 90 N -1.07 0.60 0.74 0.27 0.00 -1.26 -5.05 105.19 99.42 2gtc n GLY 90 Ca 0.01 -0.08 -0.02 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.10 0.00 -3.64 0.99 7.94 -1.26 -4.43 117.00 116.50 2gtc n LEU 92 Ca 0.02 -0.55 -0.01 0.00 -1.11 0.00 0.00 56.01 54.36 2gtc n LEU 92 Cb 0.21 0.68 -0.04 0.00 0.53 0.00 0.00 43.42 44.80 2gtc n LEU 92 CO 0.02 -0.16 0.29 0.54 -1.11 0.00 0.00 177.39 176.97 2gtc s VAL 94 N -2.69 -0.89 -0.06 1.96 0.11 -0.54 -4.50 120.40 113.78 2gtc s VAL 94 Ca 0.04 0.00 0.05 0.00 -2.93 0.00 0.00 61.98 59.14 2gtc s VAL 94 Cb -0.01 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.83 2gtc s VAL 94 CO 0.03 0.00 -0.20 0.00 -3.33 0.00 0.00 175.10 171.60 2gtc s ALA 95 N 2.77 2.37 0.10 1.54 0.00 0.12 -1.76 121.76 126.89 2gtc s ALA 95 Ca -0.06 -1.01 0.10 0.00 0.00 0.00 0.00 51.96 50.99 2gtc s ALA 95 Cb -0.11 -0.83 -0.04 0.00 0.00 0.00 0.00 23.12 22.15 2gtc s ALA 95 CO -0.19 0.43 -0.24 0.14 0.00 0.00 0.00 175.76 175.90 2gtc s VAL 96 N -0.26 2.38 0.09 0.00 -7.23 0.13 0.12 120.40 115.62 2gtc s VAL 96 Ca 0.00 -1.56 -0.04 0.00 -1.81 0.00 0.00 61.98 58.58 2gtc s VAL 96 Cb -0.13 -2.02 -0.03 0.00 0.56 0.00 0.00 36.38 34.76 2gtc s VAL 96 CO 0.03 0.19 0.07 -0.94 -0.31 0.00 0.00 175.10 174.15 2gtc s SER 97 N -1.79 0.31 0.00 4.85 1.04 -0.20 -1.31 113.70 116.61 2gtc s SER 97 Ca 0.14 -0.95 0.00 0.00 0.48 0.00 0.00 55.95 55.62 2gtc s SER 97 Cb -0.10 0.28 0.00 0.00 0.10 0.00 0.00 66.02 66.30 2gtc s SER 97 CO 0.06 -0.69 0.00 0.61 0.98 0.00 0.00 173.24 174.19 2gtc n GLY 98 N -0.01 -0.48 3.50 7.32 0.00 -0.95 -0.18 105.19 114.38 2gtc n GLY 98 Ca -0.12 -0.95 -0.38 0.00 0.00 0.00 0.00 46.02 44.57 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 4.87 0.11 2.61 2.01 0.31 -0.85 115.64 122.70 2gtc s THR 99 Ca 0.00 -0.20 -0.31 0.00 0.31 0.00 0.00 61.69 61.49 2gtc s THR 99 Cb 0.00 -3.42 -0.08 0.00 0.01 0.00 0.00 72.50 69.01 2gtc s THR 99 CO 0.00 0.14 1.43 0.00 -0.69 0.00 0.00 174.62 175.49 2gtc s ALA 100 N 1.67 3.62 0.12 7.40 0.00 0.20 -1.73 121.76 133.05 2gtc s ALA 100 Ca 0.06 1.14 0.02 0.00 0.00 0.00 0.00 51.96 53.18 2gtc s ALA 100 Cb -0.17 -3.56 -0.04 0.00 0.00 0.00 0.00 23.12 19.35 2gtc s ALA 100 CO 0.08 -0.67 -0.06 0.08 0.00 0.00 0.00 175.76 175.19 2gtc s VAL 101 N 1.25 0.76 -0.21 0.00 1.01 0.69 -1.91 120.40 121.99 2gtc s VAL 101 Ca 0.66 -1.96 -0.00 0.00 0.00 0.00 0.00 61.98 60.67 2gtc s VAL 101 Cb -0.38 -1.80 0.02 0.00 0.00 0.00 0.00 36.38 34.23 2gtc s VAL 101 CO 0.30 -0.77 -0.13 -0.60 0.00 0.00 0.00 175.10 173.90 2gtc s ARG 102 N -3.84 2.95 0.00 2.72 3.52 -0.47 -1.72 118.95 122.10 2gtc s ARG 102 Ca 0.15 -0.88 0.10 0.00 -0.13 0.00 0.00 55.73 54.98 2gtc s ARG 102 Cb 0.05 -2.77 0.08 0.00 -1.56 0.00 0.00 34.95 30.75 2gtc s ARG 102 CO -0.02 -0.29 0.83 0.44 -0.81 0.00 0.00 175.30 175.45