#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 2.18 -0.09 1.39 -7.23 -1.26 -0.70 120.40 114.69 2gtc s VAL 3 Ca 0.00 -1.00 -0.12 0.00 -1.81 0.00 0.00 61.98 59.05 2gtc s VAL 3 Cb 0.00 -1.82 0.03 0.00 0.56 0.00 0.00 36.38 35.15 2gtc s VAL 3 CO 0.00 0.56 0.32 0.28 -0.31 0.00 0.00 175.10 175.95 2gtc s THR 4 N 0.04 0.02 -2.07 5.32 -1.32 -0.43 -4.99 115.64 112.20 2gtc s THR 4 Ca -0.09 -0.15 0.29 0.00 -1.21 0.00 0.00 61.69 60.53 2gtc s THR 4 Cb -0.15 -0.50 0.60 0.00 -1.51 0.00 0.00 72.50 70.94 2gtc s THR 4 CO 0.06 -0.08 1.90 0.35 -2.21 0.00 0.00 174.62 174.63 2gtc n THR 5 N 2.43 0.00 -2.07 5.08 -2.24 -1.26 -1.36 114.28 114.86 2gtc n THR 5 Ca -0.15 -0.12 -0.28 0.00 -2.27 0.00 0.00 64.05 61.23 2gtc n THR 5 Cb 0.57 0.05 0.06 0.00 -2.10 0.00 0.00 70.33 68.91 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 -2.17 2.79 -1.55 4.28 -4.23 -1.26 -4.47 115.64 109.02 2gtc s THR 6 Ca 0.37 0.06 0.27 0.00 -1.18 0.00 0.00 61.69 61.21 2gtc s THR 6 Cb 0.21 -3.21 0.24 0.00 1.34 0.00 0.00 72.50 71.07 2gtc s THR 6 CO 0.40 -0.26 1.59 -1.20 -0.54 0.00 0.00 174.62 174.61 2gtc n SER 7 N -2.99 0.79 -3.60 3.99 7.64 -1.26 -0.21 113.62 117.98 2gtc n SER 7 Ca 0.07 -0.66 -0.12 0.00 1.01 0.00 0.00 58.87 59.17 2gtc n SER 7 Cb 0.59 0.11 -0.05 0.00 -1.01 0.00 0.00 64.21 63.85 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 -2.62 1.07 -0.34 0.23 0.00 -1.26 -4.73 107.32 99.67 2gtc s GLY 8 Ca 0.22 -1.25 0.04 0.00 0.00 0.00 0.00 44.72 43.72 2gtc s GLY 8 CO 0.55 -0.86 0.05 -0.42 0.00 0.00 0.00 173.10 172.42 2gtc s ILE 9 N -3.48 2.24 0.16 0.90 1.01 -1.26 -5.00 121.20 115.77 2gtc s ILE 9 Ca 0.27 -2.33 -0.33 0.00 0.00 0.00 0.00 60.65 58.27 2gtc s ILE 9 Cb -0.00 -2.66 -0.16 0.00 0.01 0.00 0.00 42.46 39.65 2gtc s ILE 9 CO 0.15 -0.60 1.09 0.00 0.00 0.00 0.00 174.94 175.58 2gtc n GLN 10 N 4.26 0.95 0.00 2.79 6.02 -1.26 -0.92 117.38 129.22 2gtc n GLN 10 Ca 0.04 0.34 0.00 0.00 -0.01 0.00 0.00 57.00 57.37 2gtc n GLN 10 Cb 0.42 -1.79 0.00 0.00 1.02 0.00 0.00 30.24 29.89 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 1.94 2.86 3.89 1.08 0.00 -1.26 -4.99 105.19 108.71 2gtc n GLY 11 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.04 3.55 -0.04 1.61 -0.14 -0.10 -5.11 119.74 119.46 2gtc s LYS 12 Ca 0.00 -0.13 -0.00 0.00 -1.36 0.00 0.00 55.97 54.48 2gtc s LYS 12 Cb 0.00 -3.08 -0.03 0.00 -1.68 0.00 0.00 37.83 33.04 2gtc s LYS 12 CO 0.00 0.65 0.00 -1.21 -0.76 0.00 0.00 175.35 174.03 2gtc s GLU 13 N -1.81 2.88 -0.20 1.68 2.02 -1.26 -4.58 118.70 117.44 2gtc s GLU 13 Ca 0.28 -0.51 -0.24 0.00 0.02 0.00 0.00 54.97 54.52 2gtc s GLU 13 Cb -0.13 -2.73 -0.01 0.00 0.10 0.00 0.00 34.13 31.36 2gtc s GLU 13 CO 0.17 0.66 0.78 0.42 0.02 0.00 0.00 175.26 177.31 2gtc s ILE 14 N -0.98 4.90 -0.09 -1.63 1.01 -1.26 -4.35 121.20 118.80 2gtc s ILE 14 Ca 0.16 1.50 0.22 0.00 0.00 0.00 0.00 60.65 62.53 2gtc s ILE 14 Cb -0.11 -4.08 -0.24 0.00 0.01 0.00 0.00 42.46 38.03 2gtc s ILE 14 CO 0.06 0.02 0.62 -0.38 0.00 0.00 0.00 174.94 175.25 2gtc n ILE 15 N 4.89 0.27 -3.68 2.92 5.41 0.61 -4.94 119.36 124.83 2gtc n ILE 15 Ca 0.03 -0.54 -0.09 0.00 1.00 0.00 0.00 62.75 63.15 2gtc n ILE 15 Cb 0.49 -0.13 -0.10 0.00 -0.71 0.00 0.00 39.64 39.18 2gtc n ILE 15 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 2gtc s GLU 16 N -3.41 0.43 -0.68 0.38 2.12 -1.16 -4.99 118.70 111.39 2gtc s GLU 16 Ca -0.06 0.92 -0.14 0.00 0.36 0.00 0.00 54.97 56.05 2gtc s GLU 16 Cb 0.12 0.09 0.18 0.00 0.26 0.00 0.00 34.13 34.78 2gtc s GLU 16 CO 0.87 -0.18 0.62 0.71 -0.54 0.00 0.00 175.26 176.74 2gtc s TYR 17 N 1.71 3.53 -0.08 5.30 1.51 -1.26 -1.14 117.35 126.92 2gtc s TYR 17 Ca -0.08 -1.78 -0.27 0.00 -1.01 0.00 0.00 57.07 53.93 2gtc s TYR 17 Cb -0.09 -3.75 -0.23 0.00 -0.11 0.00 0.00 41.96 37.79 2gtc s TYR 17 CO -0.14 -0.99 1.03 0.82 -1.11 0.00 0.00 175.55 175.16 2gtc h ILE 18 N 5.32 1.58 -1.70 2.71 2.04 -1.50 -3.49 117.51 122.48 2gtc h ILE 18 Ca -0.07 -1.74 0.18 0.00 1.00 0.00 0.00 64.86 64.23 2gtc h ILE 18 Cb 1.06 2.76 -0.19 0.00 -0.74 0.00 0.00 36.82 39.70 2gtc h ILE 18 CO 0.86 0.45 0.68 -0.62 0.00 0.00 0.00 178.15 179.52 2gtc s ASP 19 N -5.97 -0.24 0.19 1.72 2.15 -1.19 -5.03 116.67 108.31 2gtc s ASP 19 Ca -0.17 0.08 -0.30 0.00 0.43 0.00 0.00 52.55 52.59 2gtc s ASP 19 Cb -0.01 0.24 -0.08 0.00 -0.30 0.00 0.00 42.92 42.77 2gtc s ASP 19 CO 0.69 -0.35 1.13 -0.63 -0.17 0.00 0.00 175.17 175.83 2gtc s ILE 20 N -2.25 3.75 0.15 4.11 1.01 -1.26 -0.41 121.20 126.30 2gtc s ILE 20 Ca 0.06 1.52 0.08 0.00 0.00 0.00 0.00 60.65 62.30 2gtc s ILE 20 Cb -0.01 -3.97 -0.04 0.00 0.01 0.00 0.00 42.46 38.45 2gtc s ILE 20 CO -0.05 0.27 -0.17 0.68 0.00 0.00 0.00 174.94 175.67 2gtc s VAL 21 N -0.27 1.66 0.06 2.92 -7.23 0.53 -4.88 120.40 113.19 2gtc s VAL 21 Ca 0.50 -1.86 -0.01 0.00 -1.81 0.00 0.00 61.98 58.80 2gtc s VAL 21 Cb -0.30 -1.75 -0.04 0.00 0.56 0.00 0.00 36.38 34.84 2gtc s VAL 21 CO 0.36 -0.36 -0.03 0.20 -0.31 0.00 0.00 175.10 174.97 2gtc s ASN 22 N -2.62 0.56 -0.02 4.85 0.01 -1.26 -1.82 114.94 114.64 2gtc s ASN 22 Ca 0.14 -1.02 -0.15 0.00 -0.71 0.00 0.00 52.86 51.12 2gtc s ASN 22 Cb -0.05 0.19 0.03 0.00 0.41 0.00 0.00 41.25 41.83 2gtc s ASN 22 CO 0.05 -0.59 0.33 -0.83 -1.51 0.00 0.00 177.10 174.55 2gtc s GLY 23 N -2.95 -0.18 0.12 0.66 0.00 -0.23 -4.89 107.32 99.87 2gtc s GLY 23 Ca 0.09 0.41 -0.04 0.00 0.00 0.00 0.00 44.72 45.18 2gtc s GLY 23 CO -0.08 0.20 0.12 -0.54 0.00 0.00 0.00 173.10 172.79 2gtc s GLU 24 N -1.21 0.94 -0.12 2.90 8.01 -1.26 -0.09 118.70 127.87 2gtc s GLU 24 Ca -0.12 -1.30 -0.23 0.00 0.01 0.00 0.00 54.97 53.33 2gtc s GLU 24 Cb -0.05 0.28 0.05 0.00 -4.31 0.00 0.00 34.13 30.11 2gtc s GLU 24 CO 0.04 -0.28 0.56 0.00 0.01 0.00 0.00 175.26 175.59 2gtc s ALA 25 N -3.99 -1.43 0.00 5.21 0.00 -1.03 -3.99 121.76 116.53 2gtc s ALA 25 Ca 0.18 1.27 0.00 0.00 0.00 0.00 0.00 51.96 53.41 2gtc s ALA 25 Cb 0.06 -0.41 0.00 0.00 0.00 0.00 0.00 23.12 22.77 2gtc s ALA 25 CO -0.01 -0.31 0.00 -0.89 0.00 0.00 0.00 175.76 174.55 2gtc n ILE 26 N 1.80 0.00 -4.34 0.00 5.41 -1.26 -2.22 119.36 118.75 2gtc n ILE 26 Ca -0.17 0.00 -0.18 0.00 1.00 0.00 0.00 62.75 63.40 2gtc n ILE 26 Cb 0.56 -0.18 -0.10 0.00 -0.71 0.00 0.00 39.64 39.21 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 -0.18 1.50 0.31 7.39 0.00 -1.26 -5.04 107.32 110.05 2gtc s GLY 28 Ca 0.00 -1.73 0.02 0.00 0.00 0.00 0.00 44.72 43.01 2gtc s GLY 28 CO 0.00 -1.70 1.85 0.00 0.00 0.00 0.00 173.10 173.25 2gtc h ALA 29 N 2.50 1.30 -0.25 3.20 0.00 -2.00 -2.76 119.26 121.26 2gtc h ALA 29 Ca -0.38 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.20 2gtc h ALA 29 Cb 1.22 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 2gtc h ALA 29 CO 0.65 0.48 -0.33 -0.97 0.00 0.00 0.00 179.25 179.08 2gtc h ASN 30 N 0.62 0.72 -0.18 0.00 -1.24 -1.98 -0.85 115.58 112.67 2gtc h ASN 30 Ca 0.13 -0.50 -0.01 0.00 0.71 0.00 0.00 56.30 56.64 2gtc h ASN 30 Cb 0.32 -0.21 -0.01 0.00 0.73 0.00 0.00 38.32 39.15 2gtc h ASN 30 CO 0.01 1.08 0.09 0.40 -1.29 0.00 0.00 177.43 177.72 2gtc h ILE 31 N 0.39 1.12 0.00 2.57 1.08 -1.94 -2.79 117.51 117.93 2gtc h ILE 31 Ca 0.03 -0.33 -0.03 0.00 -0.39 0.00 0.00 64.86 64.14 2gtc h ILE 31 Cb 0.91 1.02 -0.00 0.00 -3.07 0.00 0.00 36.82 35.67 2gtc h ILE 31 CO 0.08 0.11 -0.12 -0.37 -0.69 0.00 0.00 178.15 177.15 2gtc h VAL 32 N 0.17 0.26 -0.25 1.67 -1.51 -1.54 -2.77 116.25 112.28 2gtc h VAL 32 Ca 0.06 -1.01 -0.09 0.00 -1.23 0.00 0.00 66.70 64.43 2gtc h VAL 32 Cb 0.10 1.82 -0.01 0.00 -2.13 0.00 0.00 31.29 31.06 2gtc h VAL 32 CO -0.01 0.12 -0.23 -0.09 -1.23 0.00 0.00 177.57 176.14 2gtc h ARG 33 N 0.00 0.47 0.00 5.19 2.43 -0.87 -3.25 114.38 118.35 2gtc h ARG 33 Ca -0.00 -0.17 -0.25 0.00 -0.81 0.00 0.00 59.98 58.76 2gtc h ARG 33 Cb 0.81 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 30.28 2gtc h ARG 33 CO 0.02 0.67 -1.90 -0.25 -1.51 0.00 0.00 179.97 177.00 2gtc n ASP 34 N -4.14 2.33 0.21 -3.80 9.92 -1.18 -3.59 116.55 116.29 2gtc n ASP 34 Ca -0.00 -0.00 0.04 0.00 -0.53 0.00 0.00 54.79 54.30 2gtc n ASP 34 Cb 0.39 -0.31 0.44 0.00 -0.64 0.00 0.00 41.12 40.99 2gtc n ASP 34 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 2gtc h LEU 35 N -0.17 0.00 0.11 0.64 3.38 -1.67 -1.04 115.31 116.56 2gtc h LEU 35 Ca -0.37 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.25 2gtc h LEU 35 Cb 1.49 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.22 2gtc h LEU 35 CO -0.11 0.27 -1.96 0.49 0.09 0.00 0.00 178.44 177.22 2gtc n PHE 36 N -4.20 1.23 0.26 1.13 3.01 -1.23 -4.15 117.46 113.50 2gtc n PHE 36 Ca -0.02 0.28 0.12 0.00 1.01 0.00 0.00 57.45 58.84 2gtc n PHE 36 Cb 0.32 -1.17 0.69 0.00 -0.01 0.00 0.00 39.48 39.31 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 0.21 1.29 -0.02 4.37 0.00 -1.59 -2.17 119.26 121.35 2gtc h ALA 37 Ca -0.40 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.39 2gtc h ALA 37 Cb 2.03 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.80 2gtc h ALA 37 CO 0.09 0.17 0.03 0.77 0.00 0.00 0.00 179.25 180.30 2gtc h SER 38 N 0.00 0.00 -3.21 0.00 0.02 -1.35 -3.44 113.55 105.58 2gtc h SER 38 Ca -0.00 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.42 2gtc h SER 38 Cb 0.36 0.00 0.03 0.00 0.14 0.00 0.00 62.40 62.93 2gtc h SER 38 CO 0.02 0.00 0.68 -0.69 -1.14 0.00 0.00 176.83 175.70 2gtc s VAL 39 N -4.55 3.28 0.00 2.27 1.01 -0.82 -4.92 120.40 116.67 2gtc s VAL 39 Ca -0.05 0.98 0.00 0.00 0.00 0.00 0.00 61.98 62.91 2gtc s VAL 39 Cb 0.15 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.90 2gtc s VAL 39 CO 0.52 0.11 0.00 0.54 0.00 0.00 0.00 175.10 176.28 2gtc n ARG 40 N 3.27 2.33 0.00 2.72 5.12 -1.26 -5.08 116.66 123.75 2gtc n ARG 40 Ca 0.09 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.01 2gtc n ARG 40 Cb 0.43 -0.79 0.00 0.00 -1.16 0.00 0.00 32.46 30.94 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 -1.35 0.00 -4.36 0.55 2.03 -1.26 -5.05 116.55 107.10 2gtc n ASP 41 Ca 0.00 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.89 2gtc n ASP 41 Cb 0.28 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.59 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 4.23 4.84 -0.22 5.18 1.01 -1.26 -5.06 120.40 129.12 2gtc s VAL 42 Ca 0.00 -1.06 -0.04 0.00 0.00 0.00 0.00 61.98 60.88 2gtc s VAL 42 Cb 0.00 -3.84 -0.01 0.00 0.00 0.00 0.00 36.38 32.53 2gtc s VAL 42 CO 0.00 -0.45 -0.04 -0.69 0.00 0.00 0.00 175.10 173.92 2gtc s VAL 43 N 1.57 3.45 0.97 2.92 1.01 -1.26 -5.11 120.40 123.95 2gtc s VAL 43 Ca 0.03 -0.47 -0.16 0.00 0.00 0.00 0.00 61.98 61.39 2gtc s VAL 43 Cb -0.22 -2.57 0.20 0.00 0.00 0.00 0.00 36.38 33.78 2gtc s VAL 43 CO 0.06 0.42 1.28 -0.83 0.00 0.00 0.00 175.10 176.03 2gtc s GLY 44 N 1.43 1.73 0.09 4.51 0.00 -1.26 -4.83 107.32 109.00 2gtc s GLY 44 Ca 0.05 -1.09 -0.14 0.00 0.00 0.00 0.00 44.72 43.54 2gtc s GLY 44 CO -0.02 -0.34 1.26 -1.33 0.00 0.00 0.00 173.10 172.66 2gtc h GLY 45 N -1.70 0.82 0.57 0.20 0.00 -2.00 -0.73 103.07 100.24 2gtc h GLY 45 Ca -0.45 -1.24 0.02 0.00 0.00 0.00 0.00 47.33 45.66 2gtc h GLY 45 CO 0.41 1.10 -0.26 3.21 0.00 0.00 0.00 176.54 181.00 2gtc h ARG 46 N 0.45 -0.46 -0.19 4.80 -0.00 -2.01 -3.32 114.38 113.65 2gtc h ARG 46 Ca -0.07 0.03 -0.09 0.00 -0.50 0.00 0.00 59.98 59.34 2gtc h ARG 46 Cb 1.47 0.10 -0.00 0.00 0.00 0.00 0.00 29.97 31.54 2gtc h ARG 46 CO 0.17 -0.30 -0.25 0.00 0.00 0.00 0.00 179.97 179.58 2gtc h ALA 47 N 0.25 0.28 -2.31 0.04 0.00 -1.95 -3.46 119.26 112.11 2gtc h ALA 47 Ca 0.02 -0.38 -0.51 0.00 0.00 0.00 0.00 54.91 54.04 2gtc h ALA 47 Cb 0.49 -0.05 0.15 0.00 0.00 0.00 0.00 17.79 18.37 2gtc h ALA 47 CO -0.14 0.26 0.29 0.20 0.00 0.00 0.00 179.25 179.86 2gtc s GLY 48 N -3.60 1.66 0.00 0.00 0.00 -0.28 -4.96 107.32 100.15 2gtc s GLY 48 Ca -0.13 0.25 0.25 0.00 0.00 0.00 0.00 44.72 45.09 2gtc s GLY 48 CO 0.79 0.64 1.44 -1.14 0.00 0.00 0.00 173.10 174.83 2gtc n SER 49 N -3.73 1.31 0.06 1.64 3.41 -1.26 -4.21 113.62 110.84 2gtc n SER 49 Ca 0.09 -1.07 0.13 0.00 -0.26 0.00 0.00 58.87 57.76 2gtc n SER 49 Cb 0.53 0.23 0.42 0.00 -0.26 0.00 0.00 64.21 65.13 2gtc n SER 49 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2gtc n TYR 50 N -0.46 0.54 0.07 7.33 4.11 -1.26 -4.33 117.16 123.15 2gtc n TYR 50 Ca 0.12 0.16 -0.21 0.00 -0.00 0.00 0.00 57.90 57.96 2gtc n TYR 50 Cb 0.38 -0.72 -0.13 0.00 -0.00 0.00 0.00 39.34 38.88 2gtc n TYR 50 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 176.86 178.35 2gtc h GLU 51 N 0.00 0.55 -0.35 -3.48 4.22 -1.80 -2.56 114.58 111.16 2gtc h GLU 51 Ca 0.00 -0.72 -0.06 0.00 0.08 0.00 0.00 59.36 58.66 2gtc h GLU 51 Cb 0.65 0.24 -0.02 0.00 0.50 0.00 0.00 28.75 30.12 2gtc h GLU 51 CO 0.00 1.31 -0.02 0.66 -2.18 0.00 0.00 179.01 178.79 2gtc h SER 52 N 0.12 0.53 -0.10 1.04 4.64 -1.88 0.79 113.55 118.69 2gtc h SER 52 Ca -0.16 -0.11 -0.08 0.00 -0.47 0.00 0.00 61.79 60.97 2gtc h SER 52 Cb 1.77 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.72 2gtc h SER 52 CO 0.21 0.61 -0.26 0.11 -0.87 0.00 0.00 176.83 176.62 2gtc h LYS 53 N 0.53 0.35 -0.44 4.77 1.79 -1.81 0.10 116.57 121.87 2gtc h LYS 53 Ca 0.11 -0.25 0.02 0.00 -2.18 0.00 0.00 60.65 58.36 2gtc h LYS 53 Cb 0.37 0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 31.03 2gtc h LYS 53 CO 0.01 0.86 0.25 1.25 -1.08 0.00 0.00 179.45 180.74 2gtc h LEU 54 N -0.09 0.39 -0.89 2.94 5.85 -1.16 -1.35 115.31 121.00 2gtc h LEU 54 Ca -0.00 0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.65 2gtc h LEU 54 Cb 0.88 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.81 2gtc h LEU 54 CO 0.06 0.28 0.04 0.50 -0.34 0.00 0.00 178.44 178.97 2gtc h LYS 55 N 0.50 0.86 -0.05 1.25 3.64 0.57 -0.99 116.57 122.34 2gtc h LYS 55 Ca 0.18 -0.22 -0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2gtc h LYS 55 Cb 0.03 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 31.75 2gtc h LYS 55 CO -0.09 0.83 0.03 1.49 -2.27 0.00 0.00 179.45 179.44 2gtc h GLU 56 N 0.81 0.07 -0.54 1.90 4.81 -0.59 -0.10 114.58 120.94 2gtc h GLU 56 Ca 0.16 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.35 2gtc h GLU 56 Cb 0.43 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.77 2gtc h GLU 56 CO 0.02 0.08 0.18 0.00 -0.73 0.00 0.00 179.01 178.56 2gtc h ALA 57 N 0.98 1.31 -0.45 2.92 0.00 -1.11 -1.46 119.26 121.45 2gtc h ALA 57 Ca 0.02 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.64 2gtc h ALA 57 Cb 0.03 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2gtc h ALA 57 CO -0.00 0.50 -0.19 -0.09 0.00 0.00 0.00 179.25 179.47 2gtc h ARG 58 N 0.78 0.90 -0.11 0.00 2.43 -0.94 -1.99 114.38 115.45 2gtc h ARG 58 Ca 0.18 -0.36 -0.17 0.00 -0.81 0.00 0.00 59.98 58.82 2gtc h ARG 58 Cb 0.21 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 2gtc h ARG 58 CO -0.01 1.01 -0.64 -0.44 -1.51 0.00 0.00 179.97 178.37 2gtc h ASP 59 N 0.78 0.48 -0.11 -3.80 3.32 -0.81 -3.06 116.42 113.23 2gtc h ASP 59 Ca 0.11 -0.29 -0.00 0.00 0.02 0.00 0.00 57.03 56.87 2gtc h ASP 59 Cb 0.74 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.14 2gtc h ASP 59 CO 0.06 1.00 0.06 0.40 -1.72 0.00 0.00 179.24 179.04 2gtc h ILE 60 N 0.30 1.06 0.00 0.35 2.04 -1.25 -0.92 117.51 119.09 2gtc h ILE 60 Ca -0.01 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.71 2gtc h ILE 60 Cb 1.19 0.96 0.00 0.00 -0.74 0.00 0.00 36.82 38.23 2gtc h ILE 60 CO 0.11 0.05 0.00 0.00 0.00 0.00 0.00 178.15 178.31 2gtc n ALA 61 N -2.14 1.23 0.00 1.87 0.00 -0.75 -1.59 120.51 119.12 2gtc n ALA 61 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2gtc n ALA 61 Cb 0.05 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.50 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 0.66 0.00 -0.45 0.00 8.00 -0.35 -4.12 116.55 120.29 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 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.11 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 0.33 0.00 -1.24 2.13 -0.62 -0.64 120.64 120.61 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 -1.15 0.00 0.00 0.27 0.00 0.00 31.44 30.56 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 -0.19 5.31 5.02 -1.26 -1.14 118.16 126.15 2gtc n LYS 66 Ca 0.00 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.22 2gtc n LYS 66 Cb 0.08 0.00 0.02 0.00 -0.02 0.00 0.00 35.03 35.11 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 0.76 -0.33 1.97 4.57 -1.29 0.92 114.58 121.18 2gtc h GLU 67 Ca 0.00 -0.08 -0.01 0.00 -1.18 0.00 0.00 59.36 58.09 2gtc h GLU 67 Cb 0.00 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 28.42 2gtc h GLU 67 CO 0.00 0.58 0.18 1.25 -1.18 0.00 0.00 179.01 179.84 2gtc h LEU 68 N 0.74 0.41 -0.41 1.64 5.85 -1.36 -0.39 115.31 121.78 2gtc h LEU 68 Ca 0.19 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 2gtc h LEU 68 Cb 0.03 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 2gtc h LEU 68 CO -0.03 0.38 0.22 0.00 -0.34 0.00 0.00 178.44 178.67 2gtc h ALA 69 N 1.05 0.52 -0.54 1.25 0.00 -1.71 -2.52 119.26 117.31 2gtc h ALA 69 Ca 0.12 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2gtc h ALA 69 Cb 0.06 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 2gtc h ALA 69 CO -0.02 0.05 0.30 -0.22 0.00 0.00 0.00 179.25 179.36 2gtc h LYS 70 N 0.53 0.74 0.00 0.00 3.64 -0.69 -2.33 116.57 118.47 2gtc h LYS 70 Ca 0.14 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 2gtc h LYS 70 Cb 0.06 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.73 2gtc h LYS 70 CO -0.02 0.57 0.00 1.04 -2.27 0.00 0.00 179.45 178.76 2gtc n GLN 71 N -4.63 0.27 0.00 1.90 1.13 -0.17 -0.59 117.38 115.29 2gtc n GLN 71 Ca 0.03 0.11 0.12 0.00 -1.94 0.00 0.00 57.00 55.32 2gtc n GLN 71 Cb 0.08 -1.50 0.10 0.00 0.11 0.00 0.00 30.24 29.02 2gtc n GLN 71 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2gtc n LYS 72 N -1.27 1.22 -2.03 -1.09 5.02 -0.96 -4.98 118.16 114.07 2gtc n LYS 72 Ca 0.09 -0.96 0.00 0.00 -2.02 0.00 0.00 58.31 55.42 2gtc n LYS 72 Cb 0.13 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.66 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 1.39 0.76 3.93 0.72 0.00 0.25 -5.07 105.19 107.17 2gtc n GLY 73 Ca 0.10 -0.70 -0.28 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.48 3.90 -0.09 4.61 0.00 -0.92 -4.86 121.76 121.93 2gtc s ALA 74 Ca 0.00 -0.89 0.13 0.00 0.00 0.00 0.00 51.96 51.20 2gtc s ALA 74 Cb 0.00 -1.90 0.20 0.00 0.00 0.00 0.00 23.12 21.42 2gtc s ALA 74 CO 0.00 0.53 1.10 0.27 0.00 0.00 0.00 175.76 177.66 2gtc n ASN 75 N -0.47 2.18 -3.56 0.00 0.23 -0.46 -4.37 115.26 108.81 2gtc n ASN 75 Ca -0.05 -2.75 -0.14 0.00 -0.53 0.00 0.00 54.58 51.11 2gtc n ASN 75 Cb 0.53 -0.31 -0.06 0.00 -2.08 0.00 0.00 39.78 37.87 2gtc n ASN 75 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2gtc s ALA 76 N -2.29 -1.87 -0.17 -2.53 0.00 -1.00 -3.97 121.76 109.93 2gtc s ALA 76 Ca 0.22 1.50 0.01 0.00 0.00 0.00 0.00 51.96 53.69 2gtc s ALA 76 Cb 0.20 -0.46 0.01 0.00 0.00 0.00 0.00 23.12 22.87 2gtc s ALA 76 CO 0.02 -0.33 -0.18 0.42 0.00 0.00 0.00 175.76 175.69 2gtc s ILE 77 N -1.07 2.28 0.37 0.00 1.01 0.13 -0.73 121.20 123.19 2gtc s ILE 77 Ca -0.05 -0.88 0.08 0.00 0.00 0.00 0.00 60.65 59.80 2gtc s ILE 77 Cb -0.01 -1.96 -0.04 0.00 0.01 0.00 0.00 42.46 40.47 2gtc s ILE 77 CO 0.05 0.53 0.18 0.68 0.00 0.00 0.00 174.94 176.37 2gtc s VAL 78 N 1.10 2.80 -1.73 2.92 -7.23 -0.41 -1.32 120.40 116.53 2gtc s VAL 78 Ca 0.00 -1.66 0.00 0.00 -1.81 0.00 0.00 61.98 58.52 2gtc s VAL 78 Cb -0.14 -2.98 0.00 0.00 0.56 0.00 0.00 36.38 33.81 2gtc s VAL 78 CO -0.07 -0.12 0.00 0.61 -0.31 0.00 0.00 175.10 175.22 2gtc n GLY 79 N -1.22 0.47 3.74 2.32 0.00 0.71 -0.38 105.19 110.83 2gtc n GLY 79 Ca -0.02 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 2gtc n GLY 79 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2gtc n VAL 80 N -3.41 1.02 -5.21 1.61 0.31 -0.46 -4.46 118.33 107.72 2gtc n VAL 80 Ca -0.21 -0.25 -0.32 0.00 -0.01 0.00 0.00 64.34 63.55 2gtc n VAL 80 Cb 0.64 -1.92 -0.16 0.00 -0.91 0.00 0.00 33.84 31.49 2gtc n VAL 80 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2gtc s ASP 81 N 0.48 3.20 -0.25 4.52 -1.08 0.77 -4.44 116.67 119.88 2gtc s ASP 81 Ca 0.64 -0.47 -0.02 0.00 -0.52 0.00 0.00 52.55 52.18 2gtc s ASP 81 Cb -0.51 -0.85 0.02 0.00 -1.46 0.00 0.00 42.92 40.12 2gtc s ASP 81 CO 0.49 0.25 -0.04 -0.69 0.52 0.00 0.00 175.17 175.70 2gtc s VAL 82 N -0.21 3.05 0.07 1.11 1.01 -1.26 -1.42 120.40 122.75 2gtc s VAL 82 Ca -0.02 -0.91 0.08 0.00 0.00 0.00 0.00 61.98 61.13 2gtc s VAL 82 Cb -0.13 -2.53 -0.03 0.00 0.00 0.00 0.00 36.38 33.69 2gtc s VAL 82 CO 0.03 0.22 -0.22 -0.62 0.00 0.00 0.00 175.10 174.51 2gtc s ASP 83 N 1.36 2.68 -0.08 3.32 2.15 0.17 -4.98 116.67 121.28 2gtc s ASP 83 Ca 0.01 -0.61 0.04 0.00 0.43 0.00 0.00 52.55 52.42 2gtc s ASP 83 Cb -0.16 -0.20 -0.01 0.00 -0.30 0.00 0.00 42.92 42.25 2gtc s ASP 83 CO -0.04 0.14 -0.20 -0.31 -0.17 0.00 0.00 175.17 174.60 2gtc s TYR 84 N -0.94 2.60 -0.07 -5.34 1.51 -1.26 0.22 117.35 114.07 2gtc s TYR 84 Ca 0.08 -0.68 0.00 0.00 -1.01 0.00 0.00 57.07 55.46 2gtc s TYR 84 Cb -0.09 -1.69 0.02 0.00 -0.11 0.00 0.00 41.96 40.09 2gtc s TYR 84 CO 0.03 -0.20 -0.04 -1.21 -1.11 0.00 0.00 175.55 173.02 2gtc s GLU 85 N -0.01 1.01 -0.52 -0.62 0.41 -1.26 -5.00 118.70 112.71 2gtc s GLU 85 Ca -0.06 -0.10 -0.18 0.00 -0.41 0.00 0.00 54.97 54.22 2gtc s GLU 85 Cb -0.15 -1.12 0.08 0.00 -1.78 0.00 0.00 34.13 31.16 2gtc s GLU 85 CO 0.05 -0.19 0.56 0.54 -0.49 0.00 0.00 175.26 175.73 2gtc s VAL 86 N 1.43 5.00 0.00 2.63 0.11 -1.26 -4.12 120.40 124.20 2gtc s VAL 86 Ca -0.02 -0.87 0.00 0.00 -2.93 0.00 0.00 61.98 58.16 2gtc s VAL 86 Cb -0.13 -4.29 0.00 0.00 -1.53 0.00 0.00 36.38 30.42 2gtc s VAL 86 CO -0.03 -0.81 0.15 0.52 -3.33 0.00 0.00 175.10 171.59 2gtc n VAL 87 N 5.44 0.00 -2.16 2.04 0.31 -1.26 -4.17 118.33 118.53 2gtc n VAL 87 Ca -0.10 0.48 -0.40 0.00 -0.01 0.00 0.00 64.34 64.31 2gtc n VAL 87 Cb 0.44 -1.13 0.03 0.00 -0.91 0.00 0.00 33.84 32.26 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 -0.23 3.80 0.00 5.55 3.00 -1.26 -4.85 116.66 122.67 2gtc n ARG 88 Ca 0.00 -3.87 0.00 0.00 -0.01 0.00 0.00 57.85 53.97 2gtc n ARG 88 Cb 0.00 -2.35 0.00 0.00 0.00 0.00 0.00 32.46 30.11 2gtc n ARG 88 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 2gtc n ASP 89 N -0.19 0.00 -3.21 0.55 8.00 -1.26 -5.10 116.55 115.34 2gtc n ASP 89 Ca 0.51 0.00 -0.34 0.00 0.71 0.00 0.00 54.79 55.68 2gtc n ASP 89 Cb 0.26 -0.53 -0.01 0.00 -0.02 0.00 0.00 41.12 40.83 2gtc n ASP 89 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2gtc n GLY 90 N -1.51 5.87 3.63 0.44 0.00 -1.26 -5.02 105.19 107.34 2gtc n GLY 90 Ca 0.00 -2.68 0.03 0.00 0.00 0.00 0.00 46.02 43.37 2gtc n GLY 90 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2gtc s LEU 92 N -3.89 -0.01 -0.30 0.99 2.96 -1.26 -4.43 118.68 112.75 2gtc s LEU 92 Ca 0.45 -0.05 -0.11 0.00 -0.22 0.00 0.00 54.13 54.20 2gtc s LEU 92 Cb 0.26 1.12 0.12 0.00 0.50 0.00 0.00 46.19 48.19 2gtc s LEU 92 CO -0.16 -0.09 0.67 0.54 -1.32 0.00 0.00 176.35 175.99 2gtc s VAL 94 N -2.11 -0.82 -0.07 1.68 0.11 -0.94 -4.63 120.40 113.61 2gtc s VAL 94 Ca 0.17 0.00 0.04 0.00 -2.93 0.00 0.00 61.98 59.25 2gtc s VAL 94 Cb 0.06 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.89 2gtc s VAL 94 CO -0.06 0.00 -0.17 0.00 -3.33 0.00 0.00 175.10 171.54 2gtc s ALA 95 N 2.68 2.51 0.07 1.54 0.00 0.13 -2.47 121.76 126.22 2gtc s ALA 95 Ca -0.06 -0.98 0.10 0.00 0.00 0.00 0.00 51.96 51.01 2gtc s ALA 95 Cb -0.11 -0.93 -0.03 0.00 0.00 0.00 0.00 23.12 22.05 2gtc s ALA 95 CO -0.19 0.45 -0.26 0.14 0.00 0.00 0.00 175.76 175.89 2gtc s VAL 96 N -0.32 2.17 0.20 0.00 -7.23 0.87 0.41 120.40 116.50 2gtc s VAL 96 Ca 0.02 -1.51 -0.06 0.00 -1.81 0.00 0.00 61.98 58.63 2gtc s VAL 96 Cb -0.13 -1.88 -0.03 0.00 0.56 0.00 0.00 36.38 34.91 2gtc s VAL 96 CO 0.02 0.27 0.25 -0.94 -0.31 0.00 0.00 175.10 174.39 2gtc s SER 97 N -1.51 0.08 0.00 4.85 1.04 -0.51 -1.07 113.70 116.59 2gtc s SER 97 Ca 0.12 -1.17 0.00 0.00 0.48 0.00 0.00 55.95 55.39 2gtc s SER 97 Cb -0.10 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.46 2gtc s SER 97 CO 0.03 -0.93 0.00 0.61 0.98 0.00 0.00 173.24 173.94 2gtc n GLY 98 N -0.28 -0.49 3.38 7.32 0.00 -0.76 -0.16 105.19 114.20 2gtc n GLY 98 Ca -0.01 -1.14 -0.38 0.00 0.00 0.00 0.00 46.02 44.49 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 4.22 0.20 2.61 2.01 0.49 -0.35 115.64 122.82 2gtc s THR 99 Ca 0.00 -0.63 -0.30 0.00 0.31 0.00 0.00 61.69 61.07 2gtc s THR 99 Cb 0.00 -3.19 -0.09 0.00 0.01 0.00 0.00 72.50 69.23 2gtc s THR 99 CO 0.00 0.04 1.38 0.00 -0.69 0.00 0.00 174.62 175.35 2gtc s ALA 100 N 1.54 3.59 0.01 7.40 0.00 0.45 -1.28 121.76 133.46 2gtc s ALA 100 Ca 0.03 1.20 -0.11 0.00 0.00 0.00 0.00 51.96 53.08 2gtc s ALA 100 Cb -0.17 -3.52 0.01 0.00 0.00 0.00 0.00 23.12 19.43 2gtc s ALA 100 CO 0.04 -0.63 0.22 0.08 0.00 0.00 0.00 175.76 175.47 2gtc s VAL 101 N 0.28 0.08 -0.18 0.00 1.01 0.09 -1.15 120.40 120.53 2gtc s VAL 101 Ca 0.60 -0.67 -0.03 0.00 0.00 0.00 0.00 61.98 61.87 2gtc s VAL 101 Cb -0.39 -0.66 -0.02 0.00 0.00 0.00 0.00 36.38 35.32 2gtc s VAL 101 CO 0.38 -0.37 -0.07 -0.60 0.00 0.00 0.00 175.10 174.45 2gtc s ARG 102 N -1.76 3.46 0.00 2.72 3.52 -0.29 -1.36 118.95 125.24 2gtc s ARG 102 Ca -0.11 -0.61 0.06 0.00 -0.13 0.00 0.00 55.73 54.93 2gtc s ARG 102 Cb -0.05 -2.88 0.05 0.00 -1.56 0.00 0.00 34.95 30.51 2gtc s ARG 102 CO 0.01 0.04 0.68 0.44 -0.81 0.00 0.00 175.30 175.66