#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3guy s ILE 2 N 0.00 3.99 -0.16 1.96 -1.09 -0.67 -0.99 121.20 124.24 3guy s ILE 2 Ca 0.00 -0.78 -0.16 0.00 -2.23 0.00 0.00 60.65 57.48 3guy s ILE 2 Cb 0.00 -3.11 -0.04 0.00 -1.58 0.00 0.00 42.46 37.73 3guy s ILE 2 CO 0.00 0.01 0.40 -0.69 -1.23 0.00 0.00 174.94 173.43 3guy s VAL 3 N 1.49 5.22 -0.15 2.92 1.01 -0.73 -1.40 120.40 128.76 3guy s VAL 3 Ca 0.02 0.77 0.01 0.00 0.00 0.00 0.00 61.98 62.78 3guy s VAL 3 Cb -0.18 -3.74 0.02 0.00 0.00 0.00 0.00 36.38 32.48 3guy s VAL 3 CO 0.03 0.32 -0.17 -0.63 0.00 0.00 0.00 175.10 174.65 3guy s ILE 4 N 0.80 1.75 0.31 2.22 1.01 -0.59 0.11 121.20 126.81 3guy s ILE 4 Ca 0.21 -0.75 0.02 0.00 0.00 0.00 0.00 60.65 60.13 3guy s ILE 4 Cb -0.14 -1.61 -0.03 0.00 0.01 0.00 0.00 42.46 40.69 3guy s ILE 4 CO 0.08 0.49 0.49 0.42 0.00 0.00 0.00 174.94 176.41 3guy s THR 5 N 1.31 5.04 -1.06 2.92 -4.23 0.14 -0.88 115.64 118.88 3guy s THR 5 Ca 0.03 -0.68 -0.02 0.00 -1.18 0.00 0.00 61.69 59.84 3guy s THR 5 Cb -0.13 -3.82 0.00 0.00 1.34 0.00 0.00 72.50 69.89 3guy s THR 5 CO -0.10 -0.45 0.23 0.61 -0.54 0.00 0.00 174.62 174.38 3guy n GLY 6 N -1.66 -0.13 1.08 3.99 0.00 -0.81 -2.38 105.19 105.27 3guy n GLY 6 Ca -0.06 -0.25 0.11 0.00 0.00 0.00 0.00 46.02 45.83 3guy n GLY 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3guy n ALA 7 N -2.39 2.41 -0.01 4.61 0.00 -0.22 -3.69 120.51 121.22 3guy n ALA 7 Ca -0.11 -0.97 0.14 0.00 0.00 0.00 0.00 53.44 52.50 3guy n ALA 7 Cb 0.60 -0.81 0.57 0.00 0.00 0.00 0.00 19.45 19.81 3guy n ALA 7 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3guy h SER 8 N 4.22 0.21 -2.20 0.00 0.02 -1.90 -3.34 113.55 110.56 3guy h SER 8 Ca 0.00 0.00 0.18 0.00 -0.84 0.00 0.00 61.79 61.14 3guy h SER 8 Cb 0.95 -0.04 -0.03 0.00 0.14 0.00 0.00 62.40 63.41 3guy h SER 8 CO 0.00 0.13 0.59 -1.54 -1.14 0.00 0.00 176.83 174.87 3guy n SER 9 N -4.45 -1.41 0.00 3.07 3.41 -1.26 -4.56 113.62 108.43 3guy n SER 9 Ca 0.08 -1.65 0.00 0.00 -0.26 0.00 0.00 58.87 57.04 3guy n SER 9 Cb 0.40 2.26 0.00 0.00 -0.26 0.00 0.00 64.21 66.61 3guy n SER 9 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3guy n GLY 10 N -0.68 1.65 0.28 5.00 0.00 -1.26 -3.45 105.19 106.73 3guy n GLY 10 Ca -0.00 -0.60 -0.06 0.00 0.00 0.00 0.00 46.02 45.36 3guy n GLY 10 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3guy h LEU 11 N 0.00 0.83 -0.65 0.99 5.85 -1.85 -2.48 115.31 118.00 3guy h LEU 11 Ca 0.00 -0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.62 3guy h LEU 11 Cb 0.00 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.79 3guy h LEU 11 CO 0.00 0.66 0.27 1.23 -0.34 0.00 0.00 178.44 180.26 3guy h GLY 12 N 0.94 1.04 0.99 3.75 0.00 -1.63 -0.72 103.07 107.44 3guy h GLY 12 Ca 0.25 -0.56 -0.01 0.00 0.00 0.00 0.00 47.33 47.01 3guy h GLY 12 CO -0.05 0.53 0.34 0.00 0.00 0.00 0.00 176.54 177.36 3guy h ALA 13 N 1.12 0.78 -0.47 3.60 0.00 -1.54 -1.26 119.26 121.49 3guy h ALA 13 Ca 0.22 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 3guy h ALA 13 Cb 0.19 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3guy h ALA 13 CO -0.02 0.30 -0.14 0.93 0.00 0.00 0.00 179.25 180.31 3guy h GLU 14 N 0.83 0.90 -0.32 0.00 4.39 -1.05 -1.32 114.58 118.01 3guy h GLU 14 Ca 0.22 -0.33 -0.04 0.00 0.34 0.00 0.00 59.36 59.55 3guy h GLU 14 Cb 0.04 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.62 3guy h GLU 14 CO -0.04 0.98 0.05 -0.07 -1.16 0.00 0.00 179.01 178.77 3guy h LEU 15 N 0.79 0.51 -0.68 1.33 3.38 -1.00 -2.30 115.31 117.35 3guy h LEU 15 Ca 0.12 -0.26 0.10 0.00 0.09 0.00 0.00 57.88 57.93 3guy h LEU 15 Cb 0.68 -0.13 -0.07 0.00 0.09 0.00 0.00 40.66 41.22 3guy h LEU 15 CO 0.05 0.64 0.30 0.00 0.09 0.00 0.00 178.44 179.52 3guy h ALA 16 N 0.89 0.92 -0.79 1.53 0.00 -0.77 -0.99 119.26 120.05 3guy h ALA 16 Ca 0.10 0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.15 3guy h ALA 16 Cb 0.35 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.08 3guy h ALA 16 CO 0.01 -0.12 0.46 0.87 0.00 0.00 0.00 179.25 180.46 3guy h LYS 17 N 0.51 0.78 -0.33 0.00 1.57 -1.04 0.16 116.57 118.23 3guy h LYS 17 Ca 0.34 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.98 3guy h LYS 17 Cb 0.41 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 3guy h LYS 17 CO -0.30 0.52 -0.18 -0.07 -0.57 0.00 0.00 179.45 178.84 3guy h LEU 18 N 0.81 0.73 -0.39 2.94 3.38 -0.77 -1.50 115.31 120.51 3guy h LEU 18 Ca 0.36 -0.42 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 3guy h LEU 18 Cb 0.26 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 3guy h LEU 18 CO -0.21 0.99 0.08 1.88 0.09 0.00 0.00 178.44 181.27 3guy h TYR 19 N 0.47 0.66 -0.51 1.13 0.05 -0.91 -2.73 116.97 115.15 3guy h TYR 19 Ca 0.07 -0.08 0.08 0.00 0.05 0.00 0.00 58.73 58.84 3guy h TYR 19 Cb 0.73 -0.19 -0.06 0.00 1.01 0.00 0.00 36.73 38.22 3guy h TYR 19 CO 0.06 0.65 0.15 0.22 -1.05 0.00 0.00 178.16 178.19 3guy h ASP 20 N 0.49 0.10 0.23 3.88 3.58 -0.92 -1.53 116.42 122.24 3guy h ASP 20 Ca 0.12 0.07 -0.01 0.00 0.42 0.00 0.00 57.03 57.64 3guy h ASP 20 Cb 0.33 0.08 -0.00 0.00 1.72 0.00 0.00 39.33 41.46 3guy h ASP 20 CO 0.00 0.08 -0.03 0.00 -2.88 0.00 0.00 179.24 176.42 3guy h ALA 21 N 1.36 1.16 -0.27 -0.78 0.00 -0.98 0.32 119.26 120.08 3guy h ALA 21 Ca 0.25 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3guy h ALA 21 Cb 0.30 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3guy h ALA 21 CO -0.29 0.03 0.00 0.39 0.00 0.00 0.00 179.25 179.39 3guy n GLU 22 N -3.35 1.70 -0.78 0.00 1.02 -0.61 -4.92 120.64 113.70 3guy n GLU 22 Ca -0.02 -1.08 0.00 0.00 -0.02 0.00 0.00 57.16 56.03 3guy n GLU 22 Cb 0.14 -1.28 0.00 0.00 -0.02 0.00 0.00 31.44 30.28 3guy n GLU 22 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3guy n GLY 23 N 1.02 0.59 3.80 0.62 0.00 0.11 -5.04 105.19 106.30 3guy n GLY 23 Ca 0.12 -0.17 -0.37 0.00 0.00 0.00 0.00 46.02 45.60 3guy n GLY 23 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3guy s LYS 24 N -0.48 3.96 0.26 1.61 1.02 -1.02 -5.00 119.74 120.09 3guy s LYS 24 Ca 0.00 0.21 -0.29 0.00 0.02 0.00 0.00 55.97 55.90 3guy s LYS 24 Cb 0.00 -3.30 -0.10 0.00 -0.52 0.00 0.00 37.83 33.92 3guy s LYS 24 CO 0.00 0.52 1.30 0.00 -0.92 0.00 0.00 175.35 176.25 3guy s ALA 25 N -0.45 3.51 0.24 5.17 0.00 -1.26 -4.04 121.76 124.93 3guy s ALA 25 Ca 0.20 1.17 0.07 0.00 0.00 0.00 0.00 51.96 53.40 3guy s ALA 25 Cb -0.14 -3.47 -0.05 0.00 0.00 0.00 0.00 23.12 19.45 3guy s ALA 25 CO 0.08 -0.56 -0.10 0.95 0.00 0.00 0.00 175.76 176.14 3guy s THR 26 N -0.53 1.67 -0.04 0.00 -4.23 -1.25 -1.67 115.64 109.59 3guy s THR 26 Ca 0.53 -2.17 -0.02 0.00 -1.18 0.00 0.00 61.69 58.85 3guy s THR 26 Cb -0.38 -2.25 0.03 0.00 1.34 0.00 0.00 72.50 71.25 3guy s THR 26 CO 0.45 -0.45 0.05 -0.47 -0.54 0.00 0.00 174.62 173.66 3guy s TYR 27 N -3.01 0.15 -0.01 3.99 5.04 -0.49 -1.03 117.35 121.99 3guy s TYR 27 Ca 0.26 0.19 0.00 0.00 -2.44 0.00 0.00 57.07 55.08 3guy s TYR 27 Cb 0.02 -0.52 -0.04 0.00 0.35 0.00 0.00 41.96 41.77 3guy s TYR 27 CO 0.09 -0.20 0.06 -0.51 -1.34 0.00 0.00 175.55 173.64 3guy s LEU 28 N 2.08 3.78 0.12 6.97 1.43 -0.73 -1.54 118.68 130.79 3guy s LEU 28 Ca 0.04 0.10 0.05 0.00 -1.03 0.00 0.00 54.13 53.30 3guy s LEU 28 Cb -0.12 -2.18 -0.04 0.00 0.03 0.00 0.00 46.19 43.88 3guy s LEU 28 CO -0.03 0.28 -0.12 0.28 0.23 0.00 0.00 176.35 176.99 3guy s THR 29 N -1.15 1.19 0.06 5.49 -1.32 -0.06 -1.36 115.64 118.49 3guy s THR 29 Ca 0.21 -1.78 -0.26 0.00 -1.21 0.00 0.00 61.69 58.65 3guy s THR 29 Cb -0.12 -1.56 0.09 0.00 -1.51 0.00 0.00 72.50 69.40 3guy s THR 29 CO 0.12 -0.54 1.19 -0.83 -2.21 0.00 0.00 174.62 172.36 3guy s GLY 30 N -2.63 -0.07 0.06 6.08 0.00 -1.23 -1.06 107.32 108.47 3guy s GLY 30 Ca 0.10 -0.04 -0.15 0.00 0.00 0.00 0.00 44.72 44.63 3guy s GLY 30 CO 0.02 3.86 1.15 3.21 0.00 0.00 0.00 173.10 181.34 3guy h ARG 31 N 2.00 0.67 -5.16 2.90 3.08 -1.92 0.12 114.38 116.06 3guy h ARG 31 Ca -0.25 -0.78 -0.67 0.00 0.07 0.00 0.00 59.98 58.35 3guy h ARG 31 Cb 1.20 0.24 -0.17 0.00 0.08 0.00 0.00 29.97 31.32 3guy h ARG 31 CO 0.33 1.34 -0.04 0.45 -1.07 0.00 0.00 179.97 180.98 3guy s SER 32 N -7.33 6.27 0.24 7.04 0.15 -1.26 -4.58 113.70 114.23 3guy s SER 32 Ca -0.10 -0.40 -0.04 0.00 0.70 0.00 0.00 55.95 56.10 3guy s SER 32 Cb 0.06 -2.27 0.39 0.00 -1.71 0.00 0.00 66.02 62.50 3guy s SER 32 CO 0.92 -0.64 1.81 -0.08 1.20 0.00 0.00 173.24 176.45 3guy h GLU 33 N 8.73 0.76 -0.08 5.44 4.81 -1.96 -0.54 114.58 131.75 3guy h GLU 33 Ca -0.26 -0.05 -0.11 0.00 -0.13 0.00 0.00 59.36 58.81 3guy h GLU 33 Cb 1.11 -0.17 0.01 0.00 0.63 0.00 0.00 28.75 30.32 3guy h GLU 33 CO 0.83 0.50 -0.39 0.66 -0.73 0.00 0.00 179.01 179.88 3guy h SER 34 N 0.78 0.48 -0.94 1.04 4.64 -1.99 -1.17 113.55 116.38 3guy h SER 34 Ca 0.40 -0.65 0.05 0.00 -0.47 0.00 0.00 61.79 61.11 3guy h SER 34 Cb 0.36 -0.14 -0.06 0.00 -0.31 0.00 0.00 62.40 62.25 3guy h SER 34 CO -0.25 1.05 0.61 0.11 -0.87 0.00 0.00 176.83 177.48 3guy h LYS 35 N -0.07 1.12 -0.51 4.77 1.57 -1.87 -1.80 116.57 119.79 3guy h LYS 35 Ca -0.03 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.66 3guy h LYS 35 Cb 1.04 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 33.07 3guy h LYS 35 CO 0.08 0.74 0.20 -0.07 -0.57 0.00 0.00 179.45 179.83 3guy h LEU 36 N 1.15 0.70 -0.83 2.94 3.38 -0.94 -1.13 115.31 120.59 3guy h LEU 36 Ca 0.39 -0.17 0.14 0.00 0.09 0.00 0.00 57.88 58.32 3guy h LEU 36 Cb 0.06 -0.18 -0.09 0.00 0.09 0.00 0.00 40.66 40.54 3guy h LEU 36 CO -0.14 0.68 0.43 -1.28 0.09 0.00 0.00 178.44 178.21 3guy h SER 37 N 0.68 0.52 -0.25 -0.43 0.87 -0.88 -1.94 113.55 112.13 3guy h SER 37 Ca 0.17 0.09 -0.07 0.00 -1.23 0.00 0.00 61.79 60.74 3guy h SER 37 Cb 0.20 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.15 3guy h SER 37 CO -0.01 0.24 -0.12 0.74 -0.53 0.00 0.00 176.83 177.14 3guy h THR 38 N 0.63 1.30 -0.47 2.23 2.02 -0.69 -2.31 112.91 115.62 3guy h THR 38 Ca 0.44 -1.20 -0.02 0.00 0.77 0.00 0.00 66.41 66.41 3guy h THR 38 Cb 0.59 1.56 -0.02 0.00 -1.74 0.00 0.00 68.15 68.54 3guy h THR 38 CO -0.34 0.37 0.23 0.58 0.37 0.00 0.00 175.52 176.73 3guy h VAL 39 N 0.25 1.18 0.00 3.16 2.07 -1.05 -3.16 116.25 118.70 3guy h VAL 39 Ca 0.06 -0.51 -0.08 0.00 0.82 0.00 0.00 66.70 66.99 3guy h VAL 39 Cb 0.63 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 3guy h VAL 39 CO 0.04 0.20 -0.37 0.71 0.02 0.00 0.00 177.57 178.17 3guy h THR 40 N 0.61 0.84 -0.51 2.57 1.35 -1.25 -2.66 112.91 113.86 3guy h THR 40 Ca 0.16 -1.54 0.09 0.00 -0.55 0.00 0.00 66.41 64.56 3guy h THR 40 Cb 0.11 1.96 -0.03 0.00 -1.73 0.00 0.00 68.15 68.46 3guy h THR 40 CO -0.02 0.36 0.35 0.78 -0.25 0.00 0.00 175.52 176.74 3guy h ASN 41 N 0.00 0.29 0.82 5.36 2.35 -1.38 0.26 115.58 123.29 3guy h ASN 41 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3guy h ASN 41 Cb 0.93 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 39.24 3guy h ASN 41 CO 0.05 0.18 0.00 0.00 -1.65 0.00 0.00 177.43 176.01 3guy s LEU 43 N -5.64 4.29 -0.01 0.00 1.43 0.08 -5.00 118.68 113.83 3guy s LEU 43 Ca 0.01 0.51 0.11 0.00 -1.03 0.00 0.00 54.13 53.73 3guy s LEU 43 Cb 0.09 -3.22 -0.17 0.00 0.03 0.00 0.00 46.19 42.92 3guy s LEU 43 CO 0.48 0.08 0.27 -1.20 0.23 0.00 0.00 176.35 176.21 3guy n SER 44 N 0.13 2.19 -0.34 2.29 7.64 -1.26 -4.56 113.62 119.70 3guy n SER 44 Ca -0.03 -0.10 0.03 0.00 1.01 0.00 0.00 58.87 59.78 3guy n SER 44 Cb 0.52 1.45 0.08 0.00 -1.01 0.00 0.00 64.21 65.24 3guy n SER 44 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3guy n ASN 45 N -1.81 2.37 -4.77 6.43 3.02 -1.26 -5.03 115.26 114.20 3guy n ASN 45 Ca -0.02 -1.88 -0.38 0.00 -0.03 0.00 0.00 54.58 52.27 3guy n ASN 45 Cb 0.28 -0.11 -0.01 0.00 -0.61 0.00 0.00 39.78 39.32 3guy n ASN 45 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3guy s ASN 46 N -0.93 6.39 -0.14 6.41 3.84 -1.26 -3.78 114.94 125.47 3guy s ASN 46 Ca 0.12 2.42 0.18 0.00 0.21 0.00 0.00 52.86 55.79 3guy s ASN 46 Cb 0.07 -2.62 0.31 0.00 -0.55 0.00 0.00 41.25 38.46 3guy s ASN 46 CO 0.09 -0.77 1.17 1.33 -2.79 0.00 0.00 177.10 176.12 3guy n VAL 47 N -0.02 1.94 0.00 -5.21 0.24 -0.20 -4.90 118.33 110.17 3guy n VAL 47 Ca 0.05 -2.37 0.00 0.00 -2.04 0.00 0.00 64.34 59.98 3guy n VAL 47 Cb 0.46 -0.24 0.00 0.00 -1.47 0.00 0.00 33.84 32.59 3guy n VAL 47 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3guy n GLY 48 N -1.38 1.68 3.61 7.63 0.00 -1.26 -4.96 105.19 110.52 3guy n GLY 48 Ca 0.17 -2.00 -0.09 0.00 0.00 0.00 0.00 46.02 44.09 3guy n GLY 48 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3guy s TYR 49 N -1.35 -0.18 -0.29 1.61 -0.85 -1.26 -1.78 117.35 113.25 3guy s TYR 49 Ca 0.00 -0.18 -0.12 0.00 -0.52 0.00 0.00 57.07 56.25 3guy s TYR 49 Cb 0.00 0.50 0.11 0.00 0.38 0.00 0.00 41.96 42.95 3guy s TYR 49 CO 0.00 -1.01 0.67 0.50 -1.52 0.00 0.00 175.55 174.19 3guy s ARG 50 N -3.88 0.63 0.15 -3.49 3.52 -0.46 -4.94 118.95 110.48 3guy s ARG 50 Ca 0.09 1.36 -0.30 0.00 -0.13 0.00 0.00 55.73 56.75 3guy s ARG 50 Cb -0.02 0.58 -0.08 0.00 -1.56 0.00 0.00 34.95 33.86 3guy s ARG 50 CO -0.01 -0.18 1.29 0.00 -0.81 0.00 0.00 175.30 175.59 3guy s ALA 51 N 2.39 3.50 -0.05 6.12 0.00 -1.26 -3.58 121.76 128.88 3guy s ALA 51 Ca -0.08 1.04 -0.10 0.00 0.00 0.00 0.00 51.96 52.82 3guy s ALA 51 Cb -0.09 -3.47 0.02 0.00 0.00 0.00 0.00 23.12 19.57 3guy s ALA 51 CO -0.19 -0.50 0.24 1.03 0.00 0.00 0.00 175.76 176.34 3guy s ARG 52 N 0.34 0.44 -0.52 0.00 1.81 0.42 -4.94 118.95 116.50 3guy s ARG 52 Ca 0.58 0.04 -0.22 0.00 -1.72 0.00 0.00 55.73 54.41 3guy s ARG 52 Cb -0.35 0.20 0.04 0.00 -0.45 0.00 0.00 34.95 34.40 3guy s ARG 52 CO 0.35 -0.09 0.81 0.34 -0.68 0.00 0.00 175.30 176.02 3guy s ASP 53 N -0.60 6.30 0.00 0.23 2.15 -1.26 -4.09 116.67 119.41 3guy s ASP 53 Ca -0.07 -0.52 0.26 0.00 0.43 0.00 0.00 52.55 52.65 3guy s ASP 53 Cb -0.04 -2.38 1.15 0.00 -0.30 0.00 0.00 42.92 41.35 3guy s ASP 53 CO 0.02 -1.07 1.84 0.18 -0.17 0.00 0.00 175.17 175.98 3guy n LEU 54 N 6.90 0.00 0.15 -1.34 4.77 -1.26 -1.80 117.00 124.42 3guy n LEU 54 Ca -0.01 0.47 0.13 0.00 -0.03 0.00 0.00 56.01 56.57 3guy n LEU 54 Cb 0.47 -0.47 0.45 0.00 -2.33 0.00 0.00 43.42 41.54 3guy n LEU 54 CO 0.59 -0.05 0.88 0.00 -1.33 0.00 0.00 177.39 177.48 3guy h ALA 55 N 2.95 1.00 -2.33 -1.18 0.00 -1.84 -3.34 119.26 114.52 3guy h ALA 55 Ca 0.00 0.00 -0.67 0.00 0.00 0.00 0.00 54.91 54.24 3guy h ALA 55 Cb 0.42 0.00 -0.17 0.00 0.00 0.00 0.00 17.79 18.04 3guy h ALA 55 CO 0.00 0.00 -0.08 0.45 0.00 0.00 0.00 179.25 179.62 3guy s SER 56 N -4.72 6.25 0.42 0.00 0.15 -0.74 -4.90 113.70 110.16 3guy s SER 56 Ca 0.07 -0.47 0.12 0.00 0.70 0.00 0.00 55.95 56.37 3guy s SER 56 Cb 0.10 -2.26 0.96 0.00 -1.71 0.00 0.00 66.02 63.11 3guy s SER 56 CO 0.51 -0.63 1.98 1.12 1.20 0.00 0.00 173.24 177.43 3guy h HIS 57 N 8.74 0.51 -0.17 3.44 2.07 -1.86 -1.74 115.15 126.14 3guy h HIS 57 Ca -0.26 0.01 -0.01 0.00 -2.85 0.00 0.00 60.37 57.26 3guy h HIS 57 Cb 1.11 -0.17 -0.01 0.00 2.57 0.00 0.00 27.41 30.92 3guy h HIS 57 CO 0.67 0.25 0.08 1.96 -3.07 0.00 0.00 177.93 177.82 3guy h GLN 58 N 0.49 0.25 -0.09 5.12 7.50 -1.94 -0.46 115.11 125.99 3guy h GLN 58 Ca 0.28 -0.04 -0.05 0.00 0.50 0.00 0.00 58.65 59.33 3guy h GLN 58 Cb 0.45 -0.04 -0.01 0.00 0.05 0.00 0.00 27.48 27.93 3guy h GLN 58 CO -0.08 0.31 -0.20 0.93 -1.50 0.00 0.00 178.83 178.29 3guy h GLU 59 N 0.14 0.14 -0.11 1.46 5.08 -1.63 -1.79 114.58 117.87 3guy h GLU 59 Ca 0.06 -0.04 -0.23 0.00 -1.00 0.00 0.00 59.36 58.16 3guy h GLU 59 Cb 0.14 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.39 3guy h GLU 59 CO -0.01 0.34 -0.81 0.28 -1.00 0.00 0.00 179.01 177.81 3guy h VAL 60 N 0.13 1.29 -0.85 3.13 2.07 -1.21 -1.73 116.25 119.08 3guy h VAL 60 Ca 0.02 -2.02 0.05 0.00 0.82 0.00 0.00 66.70 65.57 3guy h VAL 60 Cb 0.43 2.10 -0.06 0.00 -1.52 0.00 0.00 31.29 32.24 3guy h VAL 60 CO 0.03 0.63 0.54 -0.08 0.02 0.00 0.00 177.57 178.71 3guy h GLU 61 N 0.46 0.99 -0.64 1.57 4.81 -0.72 -2.74 114.58 118.30 3guy h GLU 61 Ca -0.07 -0.06 -0.09 0.00 -0.13 0.00 0.00 59.36 59.01 3guy h GLU 61 Cb 1.45 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 30.59 3guy h GLU 61 CO 0.17 0.65 0.04 1.96 -0.73 0.00 0.00 179.01 181.10 3guy h GLN 62 N 1.02 1.10 -0.41 1.92 4.20 -1.26 -1.13 115.11 120.55 3guy h GLN 62 Ca 0.36 -0.33 0.07 0.00 0.06 0.00 0.00 58.65 58.81 3guy h GLN 62 Cb 0.09 -0.11 -0.06 0.00 0.30 0.00 0.00 27.48 27.69 3guy h GLN 62 CO -0.14 1.04 0.02 1.25 -0.67 0.00 0.00 178.83 180.33 3guy h LEU 63 N 1.02 -0.13 0.01 1.46 5.85 -1.03 -1.87 115.31 120.63 3guy h LEU 63 Ca 0.19 0.09 -0.24 0.00 0.84 0.00 0.00 57.88 58.76 3guy h LEU 63 Cb 0.52 0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.67 3guy h LEU 63 CO 0.02 -0.03 -1.21 -0.26 -0.34 0.00 0.00 178.44 176.63 3guy h PHE 64 N 0.13 0.05 -0.74 1.25 0.04 -1.40 -3.31 116.94 112.96 3guy h PHE 64 Ca 0.20 -0.04 -0.00 0.00 2.80 0.00 0.00 57.97 60.93 3guy h PHE 64 Cb 0.28 -0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.39 3guy h PHE 64 CO -0.25 1.04 0.45 1.49 -0.60 0.00 0.00 178.31 180.43 3guy h GLU 65 N 0.01 1.01 0.00 1.51 4.57 -1.11 -2.82 114.58 117.75 3guy h GLU 65 Ca -0.09 -0.09 -0.00 0.00 -1.18 0.00 0.00 59.36 57.99 3guy h GLU 65 Cb 1.85 -0.21 -0.00 0.00 -0.16 0.00 0.00 28.75 30.23 3guy h GLU 65 CO 0.12 0.71 -0.01 0.37 -1.18 0.00 0.00 179.01 179.03 3guy h GLN 66 N 1.01 0.00 -6.69 1.92 4.15 -1.43 -3.44 115.11 110.63 3guy h GLN 66 Ca 0.27 0.00 -0.52 0.00 0.77 0.00 0.00 58.65 59.16 3guy h GLN 66 Cb -0.04 0.00 0.03 0.00 0.21 0.00 0.00 27.48 27.68 3guy h GLN 66 CO -0.05 0.01 0.63 -0.51 -1.93 0.00 0.00 178.83 176.98 3guy s LEU 67 N -6.23 4.43 0.19 -2.39 1.43 -1.07 -4.95 118.68 110.09 3guy s LEU 67 Ca -0.01 2.38 0.10 0.00 -1.03 0.00 0.00 54.13 55.58 3guy s LEU 67 Cb 0.10 -3.61 -0.05 0.00 0.03 0.00 0.00 46.19 42.67 3guy s LEU 67 CO 0.51 -0.48 1.37 -2.24 0.23 0.00 0.00 176.35 175.74 3guy h ASP 68 N 5.17 0.00 -2.83 2.29 2.03 -1.88 -3.47 116.42 117.74 3guy h ASP 68 Ca -0.45 0.00 -0.51 0.00 -0.73 0.00 0.00 57.03 55.34 3guy h ASP 68 Cb 1.21 0.00 -0.14 0.00 -0.83 0.00 0.00 39.33 39.58 3guy h ASP 68 CO 0.76 0.78 -0.68 -0.94 -1.03 0.00 0.00 179.24 178.12 3guy s SER 69 N -6.62 2.88 -0.30 4.15 1.04 -1.26 -5.10 113.70 108.49 3guy s SER 69 Ca 0.02 -1.17 -0.29 0.00 0.48 0.00 0.00 55.95 54.99 3guy s SER 69 Cb 0.09 -0.19 0.01 0.00 0.10 0.00 0.00 66.02 66.04 3guy s SER 69 CO 0.78 -0.30 1.14 -0.63 0.98 0.00 0.00 173.24 175.22 3guy s ILE 70 N -2.95 4.42 0.60 -1.02 1.01 -1.26 -5.02 121.20 116.97 3guy s ILE 70 Ca 0.29 1.64 -0.19 0.00 0.00 0.00 0.00 60.65 62.39 3guy s ILE 70 Cb 0.03 -4.32 -0.03 0.00 0.01 0.00 0.00 42.46 38.15 3guy s ILE 70 CO 0.12 -0.43 1.24 -2.16 0.00 0.00 0.00 174.94 173.70 3guy s PRO 71 N 3.73 2.90 0.03 2.79 0.04 -1.26 -4.67 135.00 138.55 3guy s PRO 71 Ca 0.49 1.91 0.14 0.00 0.04 0.00 0.00 61.00 63.57 3guy s PRO 71 Cb -0.14 -1.94 -0.18 0.00 0.04 0.00 0.00 34.50 32.28 3guy s PRO 71 CO 0.16 -1.29 0.82 0.66 0.04 0.00 0.00 177.00 177.40 3guy h SER 72 N 0.86 0.00 -3.77 6.66 4.64 -1.42 -3.43 113.55 117.09 3guy h SER 72 Ca -0.51 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 60.64 3guy h SER 72 Cb 1.31 0.00 -0.26 0.00 -0.31 0.00 0.00 62.40 63.13 3guy h SER 72 CO 0.55 0.82 -0.48 -0.89 -0.87 0.00 0.00 176.83 175.96 3guy s THR 73 N -2.75 -0.00 -0.11 2.95 2.01 -1.16 -1.52 115.64 115.06 3guy s THR 73 Ca -0.03 0.01 0.01 0.00 0.31 0.00 0.00 61.69 62.00 3guy s THR 73 Cb 0.08 -0.30 0.02 0.00 0.01 0.00 0.00 72.50 72.31 3guy s THR 73 CO 0.82 0.01 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.92 3guy s VAL 74 N 0.21 1.41 -0.30 3.82 1.01 -0.20 -1.77 120.40 124.57 3guy s VAL 74 Ca -0.01 -0.58 -0.07 0.00 0.00 0.00 0.00 61.98 61.32 3guy s VAL 74 Cb -0.02 -1.30 0.01 0.00 0.00 0.00 0.00 36.38 35.07 3guy s VAL 74 CO -0.00 0.42 0.09 -0.69 0.00 0.00 0.00 175.10 174.92 3guy s VAL 75 N 1.09 3.95 -0.52 2.92 1.01 0.12 -0.26 120.40 128.71 3guy s VAL 75 Ca -0.05 -0.76 -0.16 0.00 0.00 0.00 0.00 61.98 61.01 3guy s VAL 75 Cb -0.14 -3.07 0.10 0.00 0.00 0.00 0.00 36.38 33.27 3guy s VAL 75 CO -0.03 0.04 0.49 -2.28 0.00 0.00 0.00 175.10 173.32 3guy s HIS 76 N 1.49 3.22 -0.42 5.22 2.46 -0.17 -0.68 115.29 126.41 3guy s HIS 76 Ca 0.02 -1.10 0.07 0.00 0.47 0.00 0.00 55.06 54.52 3guy s HIS 76 Cb -0.18 -3.59 0.19 0.00 -0.13 0.00 0.00 32.58 28.88 3guy s HIS 76 CO 0.03 -0.97 1.15 -1.13 -2.47 0.00 0.00 174.74 171.35 3guy n SER 77 N 5.37 2.57 -4.77 9.88 3.41 -1.00 -1.53 113.62 127.55 3guy n SER 77 Ca -0.13 -2.16 -0.40 0.00 -0.26 0.00 0.00 58.87 55.92 3guy n SER 77 Cb 0.42 -0.17 -0.03 0.00 -0.26 0.00 0.00 64.21 64.17 3guy n SER 77 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3guy s ALA 78 N -1.28 3.42 0.00 7.33 0.00 -1.24 -4.61 121.76 125.38 3guy s ALA 78 Ca 0.16 1.11 0.00 0.00 0.00 0.00 0.00 51.96 53.22 3guy s ALA 78 Cb 0.10 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.80 3guy s ALA 78 CO 0.08 -0.48 0.00 0.41 0.00 0.00 0.00 175.76 175.76 3guy n GLY 79 N 0.89 -0.45 3.46 0.00 0.00 -1.25 -4.78 105.19 103.07 3guy n GLY 79 Ca 0.00 -1.11 -0.11 0.00 0.00 0.00 0.00 46.02 44.80 3guy n GLY 79 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3guy s SER 80 N 0.00 -0.50 0.26 1.61 1.04 -1.26 -4.94 113.70 109.91 3guy s SER 80 Ca 0.00 0.06 0.08 0.00 0.48 0.00 0.00 55.95 56.58 3guy s SER 80 Cb 0.00 0.51 -0.04 0.00 0.10 0.00 0.00 66.02 66.59 3guy s SER 80 CO 0.00 -0.80 0.11 -0.83 0.98 0.00 0.00 173.24 172.70 3guy s GLY 81 N -2.49 1.52 -0.28 7.32 0.00 -1.26 -4.91 107.32 107.22 3guy s GLY 81 Ca 0.01 -1.52 -0.18 0.00 0.00 0.00 0.00 44.72 43.04 3guy s GLY 81 CO -0.09 -1.57 0.90 -0.47 0.00 0.00 0.00 173.10 171.86 3guy s TYR 82 N -2.21 -0.70 0.13 1.90 5.04 -1.26 -5.02 117.35 115.22 3guy s TYR 82 Ca 0.32 1.44 -0.01 0.00 -2.44 0.00 0.00 57.07 56.39 3guy s TYR 82 Cb -0.07 0.42 -0.04 0.00 0.35 0.00 0.00 41.96 42.62 3guy s TYR 82 CO 0.23 -0.34 0.04 -0.06 -1.34 0.00 0.00 175.55 174.08 3guy s PHE 83 N 1.22 0.86 0.00 4.97 0.08 -1.26 -4.47 117.98 119.38 3guy s PHE 83 Ca -0.07 -1.20 0.00 0.00 0.12 0.00 0.00 56.93 55.78 3guy s PHE 83 Cb -0.04 -0.49 0.00 0.00 -0.57 0.00 0.00 43.02 41.91 3guy s PHE 83 CO -0.14 -0.48 0.00 0.41 -0.10 0.00 0.00 175.22 174.91 3guy n GLY 84 N -0.09 4.27 3.77 4.36 0.00 0.00 -4.91 105.19 112.60 3guy n GLY 84 Ca -0.06 -1.52 -0.40 0.00 0.00 0.00 0.00 46.02 44.04 3guy n GLY 84 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3guy s LEU 85 N 0.00 4.15 0.27 0.99 1.43 -1.26 -4.18 118.68 120.07 3guy s LEU 85 Ca 0.00 2.83 -0.01 0.00 -1.03 0.00 0.00 54.13 55.92 3guy s LEU 85 Cb 0.00 -3.93 0.45 0.00 0.03 0.00 0.00 46.19 42.74 3guy s LEU 85 CO 0.00 -1.07 1.87 0.25 0.23 0.00 0.00 176.35 177.63 3guy h LEU 86 N 2.44 1.01 -1.94 1.79 5.85 -1.97 0.36 115.31 122.85 3guy h LEU 86 Ca -0.50 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.21 3guy h LEU 86 Cb 1.26 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 42.10 3guy h LEU 86 CO 0.62 0.61 -0.12 0.06 -0.34 0.00 0.00 178.44 179.27 3guy h GLN 87 N 1.12 0.00 -0.00 1.25 -0.00 -2.04 -2.12 115.11 113.32 3guy h GLN 87 Ca 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.10 3guy h GLN 87 Cb 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.74 3guy h GLN 87 CO -0.20 0.12 -0.39 0.39 -0.00 0.00 0.00 178.83 178.74 3guy n GLU 88 N -3.74 0.38 -2.59 0.06 -0.58 0.08 -4.91 120.64 109.34 3guy n GLU 88 Ca -0.02 -0.22 -0.36 0.00 -0.42 0.00 0.00 57.16 56.14 3guy n GLU 88 Cb 0.22 -1.50 -0.04 0.00 -0.57 0.00 0.00 31.44 29.55 3guy n GLU 88 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 3guy s GLN 89 N -2.77 4.20 -0.19 3.49 -0.21 -0.80 -4.96 119.66 118.42 3guy s GLN 89 Ca 0.17 1.46 -0.20 0.00 0.02 0.00 0.00 55.36 56.80 3guy s GLN 89 Cb 0.18 -2.52 -0.03 0.00 1.00 0.00 0.00 33.01 31.64 3guy s GLN 89 CO 0.62 -0.10 0.61 0.34 -2.12 0.00 0.00 175.29 174.64 3guy s ASP 90 N -1.63 6.68 0.54 5.90 -1.08 -1.26 -4.97 116.67 120.85 3guy s ASP 90 Ca 0.58 0.82 0.22 0.00 -0.52 0.00 0.00 52.55 53.65 3guy s ASP 90 Cb -0.20 -2.34 1.44 0.00 -1.46 0.00 0.00 42.92 40.36 3guy s ASP 90 CO 0.26 -0.25 2.12 -0.65 0.52 0.00 0.00 175.17 177.17 3guy h PRO 91 N 7.43 0.00 -0.23 4.34 0.11 -1.96 -0.67 132.00 141.02 3guy h PRO 91 Ca -0.32 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.68 3guy h PRO 91 Cb 1.15 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 3guy h PRO 91 CO 0.77 0.00 -0.31 0.93 -0.21 0.00 0.00 178.00 179.17 3guy h GLU 92 N 0.00 0.48 0.04 1.05 5.08 -2.00 -0.89 114.58 118.34 3guy h GLU 92 Ca 0.08 -0.20 -0.23 0.00 -1.00 0.00 0.00 59.36 58.01 3guy h GLU 92 Cb 0.33 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 3guy h GLU 92 CO -0.00 0.74 -1.00 1.96 -1.00 0.00 0.00 179.01 179.71 3guy h GLN 93 N 0.41 0.25 -0.45 2.33 1.08 -1.59 -2.58 115.11 114.57 3guy h GLN 93 Ca 0.05 -0.32 0.02 0.00 -1.45 0.00 0.00 58.65 56.95 3guy h GLN 93 Cb 0.76 0.10 -0.03 0.00 -0.05 0.00 0.00 27.48 28.26 3guy h GLN 93 CO 0.06 1.06 0.26 0.82 -0.95 0.00 0.00 178.83 180.08 3guy h ILE 94 N 0.12 1.03 -0.73 2.54 2.04 -1.09 0.41 117.51 121.83 3guy h ILE 94 Ca -0.07 -0.18 0.01 0.00 1.00 0.00 0.00 64.86 65.62 3guy h ILE 94 Cb 1.67 0.46 -0.04 0.00 -0.74 0.00 0.00 36.82 38.17 3guy h ILE 94 CO 0.16 0.10 0.48 -0.61 0.00 0.00 0.00 178.15 178.27 3guy h GLN 95 N 0.52 0.93 -0.87 2.37 5.75 -1.12 -1.30 115.11 121.39 3guy h GLN 95 Ca 0.18 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.63 3guy h GLN 95 Cb 0.03 -0.21 -0.04 0.00 1.07 0.00 0.00 27.48 28.33 3guy h GLN 95 CO -0.09 0.62 0.56 1.15 -2.65 0.00 0.00 178.83 178.41 3guy h THR 96 N 0.96 1.23 -0.65 2.39 2.02 -1.24 -1.36 112.91 116.25 3guy h THR 96 Ca 0.28 -0.45 0.06 0.00 0.77 0.00 0.00 66.41 67.06 3guy h THR 96 Cb -0.07 -0.03 -0.05 0.00 -1.74 0.00 0.00 68.15 66.25 3guy h THR 96 CO -0.07 0.23 0.36 0.25 0.37 0.00 0.00 175.52 176.65 3guy h LEU 97 N 1.18 0.52 -0.55 2.58 5.85 -0.20 -1.13 115.31 123.56 3guy h LEU 97 Ca 0.32 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 59.03 3guy h LEU 97 Cb -0.10 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 3guy h LEU 97 CO -0.07 0.34 0.20 0.40 -0.34 0.00 0.00 178.44 178.98 3guy h ILE 98 N 0.66 1.23 -0.15 4.05 2.04 -0.89 -2.28 117.51 122.16 3guy h ILE 98 Ca 0.29 -0.73 0.00 0.00 1.00 0.00 0.00 64.86 65.42 3guy h ILE 98 Cb 0.19 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 3guy h ILE 98 CO -0.19 0.28 0.10 -0.33 0.00 0.00 0.00 178.15 178.01 3guy h GLU 99 N 0.76 0.21 0.00 2.37 5.08 -0.99 0.05 114.58 122.06 3guy h GLU 99 Ca 0.18 -0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.43 3guy h GLU 99 Cb 0.23 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 3guy h GLU 99 CO -0.01 0.15 -0.46 -0.91 -1.00 0.00 0.00 179.01 176.77 3guy h ASN 100 N 0.20 0.00 0.00 1.42 2.35 -1.17 -2.65 115.58 115.73 3guy h ASN 100 Ca 0.06 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.61 3guy h ASN 100 Cb -0.01 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.33 3guy h ASN 100 CO -0.01 0.46 -1.53 0.59 -1.65 0.00 0.00 177.43 175.29 3guy n ASN 101 N -3.86 1.48 -0.08 5.81 3.02 -0.86 -3.75 115.26 117.02 3guy n ASN 101 Ca -0.01 0.25 -0.16 0.00 -0.03 0.00 0.00 54.58 54.63 3guy n ASN 101 Cb 0.50 -0.58 -0.12 0.00 -0.61 0.00 0.00 39.78 38.97 3guy n ASN 101 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 3guy h LEU 102 N -0.69 0.00 -0.63 3.41 5.85 -1.20 -3.09 115.31 118.97 3guy h LEU 102 Ca -0.30 -0.77 -0.01 0.00 0.84 0.00 0.00 57.88 57.65 3guy h LEU 102 Cb 1.14 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.14 3guy h LEU 102 CO -0.18 1.13 0.35 0.28 -0.34 0.00 0.00 178.44 179.68 3guy h SER 103 N -1.00 0.78 -0.19 1.25 0.02 -1.31 -0.21 113.55 112.88 3guy h SER 103 Ca -0.11 -0.09 0.01 0.00 -0.84 0.00 0.00 61.79 60.76 3guy h SER 103 Cb 1.04 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 63.36 3guy h SER 103 CO -0.07 0.64 0.08 0.77 -1.14 0.00 0.00 176.83 177.12 3guy h SER 104 N 0.85 0.12 -0.60 3.07 4.64 -1.60 0.11 113.55 120.14 3guy h SER 104 Ca 0.22 0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 61.52 3guy h SER 104 Cb 0.03 -0.01 -0.03 0.00 -0.31 0.00 0.00 62.40 62.09 3guy h SER 104 CO -0.04 0.10 0.26 0.00 -0.87 0.00 0.00 176.83 176.28 3guy h ALA 105 N 1.10 0.78 0.47 5.18 0.00 -1.40 -1.09 119.26 124.32 3guy h ALA 105 Ca 0.08 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 3guy h ALA 105 Cb 0.03 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.59 3guy h ALA 105 CO -0.06 0.38 -0.23 0.82 0.00 0.00 0.00 179.25 180.16 3guy h ILE 106 N 0.83 0.53 -0.61 0.00 2.04 -0.75 -1.23 117.51 118.32 3guy h ILE 106 Ca 0.20 -0.01 0.02 0.00 1.00 0.00 0.00 64.86 66.08 3guy h ILE 106 Cb 0.18 0.54 -0.04 0.00 -0.74 0.00 0.00 36.82 36.76 3guy h ILE 106 CO -0.02 0.00 0.38 0.78 0.00 0.00 0.00 178.15 179.29 3guy h ASN 107 N -0.64 0.63 -0.18 1.72 2.35 -0.87 0.22 115.58 118.82 3guy h ASN 107 Ca -0.07 -0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.64 3guy h ASN 107 Cb 0.49 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.72 3guy h ASN 107 CO 0.11 0.45 -0.05 0.58 -1.65 0.00 0.00 177.43 176.86 3guy h VAL 108 N 0.76 1.29 -0.38 2.81 2.07 -1.17 -1.86 116.25 119.76 3guy h VAL 108 Ca 0.24 -1.03 -0.14 0.00 0.82 0.00 0.00 66.70 66.59 3guy h VAL 108 Cb -0.01 1.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 3guy h VAL 108 CO -0.09 0.31 -0.32 0.25 0.02 0.00 0.00 177.57 177.73 3guy h LEU 109 N 0.06 0.95 -0.43 2.57 5.85 -1.10 -1.33 115.31 121.87 3guy h LEU 109 Ca 0.04 -0.45 0.05 0.00 0.84 0.00 0.00 57.88 58.36 3guy h LEU 109 Cb 0.49 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.21 3guy h LEU 109 CO 0.02 1.20 0.17 -0.09 -0.34 0.00 0.00 178.44 179.40 3guy h ARG 110 N 0.71 0.34 -0.78 1.25 2.43 -0.52 -1.11 114.38 116.70 3guy h ARG 110 Ca 0.07 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.17 3guy h ARG 110 Cb 0.91 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.35 3guy h ARG 110 CO 0.08 0.22 0.31 1.49 -1.51 0.00 0.00 179.97 180.56 3guy h GLU 111 N 0.35 1.17 -0.24 0.20 4.57 -1.17 -0.92 114.58 118.54 3guy h GLU 111 Ca 0.20 -0.22 -0.01 0.00 -1.18 0.00 0.00 59.36 58.16 3guy h GLU 111 Cb 0.17 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 28.56 3guy h GLU 111 CO -0.19 0.96 0.13 -0.07 -1.18 0.00 0.00 179.01 178.66 3guy h LEU 112 N 1.14 0.31 -0.53 1.64 3.38 -1.02 -2.31 115.31 117.92 3guy h LEU 112 Ca 0.26 -0.10 -0.08 0.00 0.09 0.00 0.00 57.88 58.05 3guy h LEU 112 Cb 0.23 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 3guy h LEU 112 CO -0.02 0.32 0.01 0.58 0.09 0.00 0.00 178.44 179.42 3guy h VAL 113 N 0.28 1.26 -0.44 1.22 2.07 -1.12 0.14 116.25 119.66 3guy h VAL 113 Ca 0.09 -1.09 0.07 0.00 0.82 0.00 0.00 66.70 66.59 3guy h VAL 113 Cb 0.08 0.92 -0.06 0.00 -1.52 0.00 0.00 31.29 30.71 3guy h VAL 113 CO -0.01 0.39 0.06 0.50 0.02 0.00 0.00 177.57 178.53 3guy h LYS 114 N 0.80 0.18 0.05 1.57 3.64 -1.11 -2.80 116.57 118.90 3guy h LYS 114 Ca 0.15 -0.01 -0.33 0.00 -1.27 0.00 0.00 60.65 59.19 3guy h LYS 114 Cb 0.52 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.26 3guy h LYS 114 CO 0.03 0.12 -1.88 0.54 -2.27 0.00 0.00 179.45 175.99 3guy n ARG 115 N -5.13 0.69 0.00 1.90 1.74 -0.88 -4.70 116.66 110.28 3guy n ARG 115 Ca 0.04 0.27 0.00 0.00 -0.77 0.00 0.00 57.85 57.39 3guy n ARG 115 Cb 0.22 -1.74 0.00 0.00 -1.02 0.00 0.00 32.46 29.91 3guy n ARG 115 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3guy n TYR 116 N -3.22 0.00 0.16 -1.55 4.01 0.46 -4.81 117.16 112.21 3guy n TYR 116 Ca -0.25 -0.22 0.15 0.00 -0.16 0.00 0.00 57.90 57.43 3guy n TYR 116 Cb 1.05 -0.02 0.72 0.00 -0.31 0.00 0.00 39.34 40.78 3guy n TYR 116 CO 0.00 0.00 0.00 1.57 -0.46 0.00 0.00 176.86 177.97 3guy h LYS 117 N 0.00 0.00 -0.67 -0.72 2.10 -1.51 -0.42 116.57 115.35 3guy h LYS 117 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3guy h LYS 117 Cb 0.70 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.03 3guy h LYS 117 CO 0.00 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.20 3guy n ASP 118 N -4.25 3.90 -4.39 7.07 8.00 -1.26 -2.94 116.55 122.68 3guy n ASP 118 Ca 0.03 -2.50 -0.26 0.00 0.71 0.00 0.00 54.79 52.76 3guy n ASP 118 Cb 0.33 -0.57 -0.12 0.00 -0.02 0.00 0.00 41.12 40.74 3guy n ASP 118 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3guy s GLN 119 N -2.02 1.41 -1.14 -1.24 -1.52 -0.17 -4.83 119.66 110.15 3guy s GLN 119 Ca 0.36 -1.43 -0.08 0.00 -1.95 0.00 0.00 55.36 52.27 3guy s GLN 119 Cb 0.26 -1.71 -0.09 0.00 -0.22 0.00 0.00 33.01 31.25 3guy s GLN 119 CO 0.13 0.38 2.65 -0.35 -0.25 0.00 0.00 175.29 177.85 3guy n PRO 120 N 0.49 2.81 -3.21 2.91 -0.04 -1.26 -2.57 135.00 134.13 3guy n PRO 120 Ca -0.14 -1.73 -0.39 0.00 -0.04 0.00 0.00 63.50 61.20 3guy n PRO 120 Cb 0.55 -2.55 -0.05 0.00 -0.04 0.00 0.00 33.50 31.41 3guy n PRO 120 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3guy s VAL 121 N 2.54 5.03 -0.33 0.52 1.01 -1.26 -4.91 120.40 123.00 3guy s VAL 121 Ca 0.56 1.20 -0.21 0.00 0.00 0.00 0.00 61.98 63.53 3guy s VAL 121 Cb 0.16 -3.92 -0.00 0.00 0.00 0.00 0.00 36.38 32.62 3guy s VAL 121 CO -0.04 0.35 0.65 0.20 0.00 0.00 0.00 175.10 176.26 3guy s ASN 122 N 0.28 6.47 -0.32 3.32 0.01 -0.58 -1.29 114.94 122.84 3guy s ASN 122 Ca 0.31 0.30 -0.09 0.00 -0.71 0.00 0.00 52.86 52.67 3guy s ASN 122 Cb -0.17 -2.34 0.00 0.00 0.41 0.00 0.00 41.25 39.15 3guy s ASN 122 CO 0.15 -0.55 0.15 -0.69 -1.51 0.00 0.00 177.10 174.64 3guy s VAL 123 N 2.70 4.46 -0.41 1.60 1.01 0.24 -1.03 120.40 128.97 3guy s VAL 123 Ca 0.26 -0.54 -0.11 0.00 0.00 0.00 0.00 61.98 61.58 3guy s VAL 123 Cb -0.15 -3.31 0.05 0.00 0.00 0.00 0.00 36.38 32.97 3guy s VAL 123 CO 0.14 0.02 0.27 -0.69 0.00 0.00 0.00 175.10 174.83 3guy s VAL 124 N 1.58 4.62 -0.39 2.92 1.01 0.64 -0.43 120.40 130.35 3guy s VAL 124 Ca 0.04 -1.08 -0.14 0.00 0.00 0.00 0.00 61.98 60.80 3guy s VAL 124 Cb -0.17 -3.70 0.01 0.00 0.00 0.00 0.00 36.38 32.52 3guy s VAL 124 CO 0.05 -0.40 0.27 -0.04 0.00 0.00 0.00 175.10 174.98 3guy s MET 125 N 1.53 3.04 -0.19 2.72 -1.94 0.54 -0.99 119.30 124.01 3guy s MET 125 Ca 0.03 -0.96 -0.16 0.00 -1.71 0.00 0.00 55.69 52.89 3guy s MET 125 Cb -0.21 -3.90 -0.04 0.00 2.01 0.00 0.00 34.83 32.69 3guy s MET 125 CO 0.05 -0.68 0.40 0.42 -0.01 0.00 0.00 175.02 175.20 3guy s ILE 126 N 1.66 5.21 0.00 2.53 1.01 -0.58 -1.65 121.20 129.38 3guy s ILE 126 Ca 0.05 0.72 0.00 0.00 0.00 0.00 0.00 60.65 61.42 3guy s ILE 126 Cb -0.19 -3.73 0.00 0.00 0.01 0.00 0.00 42.46 38.55 3guy s ILE 126 CO 0.09 0.27 0.00 0.23 0.00 0.00 0.00 174.94 175.53 3guy n MET 127 N 4.32 0.00 -3.64 2.79 2.81 -0.18 -4.80 117.12 118.43 3guy n MET 127 Ca -0.08 0.00 -0.03 0.00 -1.81 0.00 0.00 57.70 55.78 3guy n MET 127 Cb 0.51 0.00 -0.03 0.00 -0.71 0.00 0.00 33.22 32.99 3guy n MET 127 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 3guy s SER 128 N 0.87 -0.05 0.62 7.83 0.15 -1.26 -4.45 113.70 117.41 3guy s SER 128 Ca 0.00 0.04 0.36 0.00 0.70 0.00 0.00 55.95 57.05 3guy s SER 128 Cb 0.00 0.05 1.98 0.00 -1.71 0.00 0.00 66.02 66.34 3guy s SER 128 CO 0.00 -0.06 2.11 0.71 1.20 0.00 0.00 173.24 177.20 3guy h THR 129 N 2.06 0.00 0.00 6.45 1.35 -1.45 -0.78 112.91 120.53 3guy h THR 129 Ca -0.07 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.79 3guy h THR 129 Cb 1.17 0.81 0.00 0.00 -1.73 0.00 0.00 68.15 68.40 3guy h THR 129 CO 0.22 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.49 3guy h ALA 130 N 1.74 1.00 0.00 6.62 0.00 -1.84 -2.23 119.26 124.55 3guy h ALA 130 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3guy h ALA 130 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3guy h ALA 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.25 3guy n ALA 131 N -1.90 2.04 0.25 0.00 0.00 -0.30 -4.00 120.51 116.60 3guy n ALA 131 Ca -0.01 0.02 0.05 0.00 0.00 0.00 0.00 53.44 53.50 3guy n ALA 131 Cb 0.14 -1.44 -0.06 0.00 0.00 0.00 0.00 19.45 18.08 3guy n ALA 131 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3guy n GLN 132 N -2.25 2.34 -3.74 0.00 6.02 -0.84 -4.44 117.38 114.47 3guy n GLN 132 Ca 0.04 -0.04 -0.12 0.00 -0.01 0.00 0.00 57.00 56.87 3guy n GLN 132 Cb 0.35 -1.07 -0.07 0.00 1.02 0.00 0.00 30.24 30.47 3guy n GLN 132 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.06 177.19 3guy s GLN 133 N -2.23 0.81 0.52 -1.09 -2.07 -1.20 -5.15 119.66 109.26 3guy s GLN 133 Ca 0.00 -0.43 -0.18 0.00 -1.82 0.00 0.00 55.36 52.94 3guy s GLN 133 Cb 0.07 0.35 -0.07 0.00 -1.09 0.00 0.00 33.01 32.27 3guy s GLN 133 CO 0.39 -0.26 1.02 -1.25 -1.32 0.00 0.00 175.29 173.88 3guy s PRO 134 N -2.35 3.72 -0.04 9.60 0.04 -1.26 -4.69 135.00 140.03 3guy s PRO 134 Ca -0.06 1.21 -0.02 0.00 0.04 0.00 0.00 61.00 62.17 3guy s PRO 134 Cb -0.01 -2.09 0.03 0.00 0.04 0.00 0.00 34.50 32.46 3guy s PRO 134 CO -0.02 -0.48 0.06 0.15 0.04 0.00 0.00 177.00 176.75 3guy s LYS 135 N -3.66 -0.06 0.19 4.56 1.02 -1.26 -5.10 119.74 115.42 3guy s LYS 135 Ca 0.64 0.34 -0.31 0.00 0.02 0.00 0.00 55.97 56.66 3guy s LYS 135 Cb -0.14 -0.43 -0.16 0.00 -0.52 0.00 0.00 37.83 36.58 3guy s LYS 135 CO 0.27 -0.29 1.01 0.00 -0.92 0.00 0.00 175.35 175.42 3guy n ALA 136 N 5.02 -1.22 -1.09 5.17 0.00 -1.26 -2.00 120.51 125.12 3guy n ALA 136 Ca -0.09 0.45 -0.03 0.00 0.00 0.00 0.00 53.44 53.76 3guy n ALA 136 Cb 0.50 -1.93 -0.01 0.00 0.00 0.00 0.00 19.45 18.00 3guy n ALA 136 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3guy n GLN 137 N 1.36 -1.35 -1.10 0.00 6.02 -1.26 -4.82 117.38 116.23 3guy n GLN 137 Ca 0.15 0.50 0.05 0.00 -0.01 0.00 0.00 57.00 57.69 3guy n GLN 137 Cb 0.25 -4.59 0.09 0.00 1.02 0.00 0.00 30.24 27.01 3guy n GLN 137 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 3guy n GLU 138 N -0.65 0.59 -0.29 -1.09 1.02 -0.85 -0.82 120.64 118.56 3guy n GLU 138 Ca -0.03 -2.43 -0.03 0.00 -0.02 0.00 0.00 57.16 54.65 3guy n GLU 138 Cb 0.39 -0.63 0.09 0.00 -0.02 0.00 0.00 31.44 31.26 3guy n GLU 138 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3guy h SER 139 N 0.92 0.87 1.17 1.62 4.64 -1.81 0.36 113.55 121.33 3guy h SER 139 Ca -0.13 -0.01 -0.15 0.00 -0.47 0.00 0.00 61.79 61.03 3guy h SER 139 Cb 1.53 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 63.40 3guy h SER 139 CO 0.06 0.61 -0.71 0.71 -0.87 0.00 0.00 176.83 176.63 3guy h THR 140 N 1.03 1.27 -0.06 2.95 1.35 -1.91 -0.64 112.91 116.89 3guy h THR 140 Ca 0.31 -2.68 -0.04 0.00 -0.55 0.00 0.00 66.41 63.45 3guy h THR 140 Cb -0.04 2.55 0.00 0.00 -1.73 0.00 0.00 68.15 68.93 3guy h THR 140 CO -0.09 0.70 -0.13 0.22 -0.25 0.00 0.00 175.52 175.96 3guy h TYR 141 N 0.00 0.26 -0.65 4.73 3.20 -1.61 -1.95 116.97 120.95 3guy h TYR 141 Ca -0.01 -0.09 0.10 0.00 3.14 0.00 0.00 58.73 61.87 3guy h TYR 141 Cb 1.49 -0.05 -0.08 0.00 1.54 0.00 0.00 36.73 39.64 3guy h TYR 141 CO 0.00 0.73 0.26 0.00 -1.64 0.00 0.00 178.16 177.51 3guy h ALA 143 N 1.44 0.23 -0.11 0.00 0.00 -0.91 0.39 119.26 120.29 3guy h ALA 143 Ca 0.33 0.09 -0.16 0.00 0.00 0.00 0.00 54.91 55.17 3guy h ALA 143 Cb 0.41 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3guy h ALA 143 CO -0.32 -0.43 -0.62 -0.39 0.00 0.00 0.00 179.25 177.49 3guy h VAL 144 N 0.05 1.36 -0.36 0.00 -1.51 -1.12 -1.97 116.25 112.70 3guy h VAL 144 Ca 0.14 -1.95 -0.13 0.00 -1.23 0.00 0.00 66.70 63.53 3guy h VAL 144 Cb 0.19 1.94 -0.01 0.00 -2.13 0.00 0.00 31.29 31.29 3guy h VAL 144 CO -0.25 0.59 -0.27 0.11 -1.23 0.00 0.00 177.57 176.52 3guy h LYS 145 N 0.30 0.82 -0.88 5.19 1.79 -0.93 -2.03 116.57 120.82 3guy h LYS 145 Ca -0.01 -0.40 0.04 0.00 -2.18 0.00 0.00 60.65 58.10 3guy h LYS 145 Cb 1.16 -0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.75 3guy h LYS 145 CO 0.11 1.03 0.58 -1.49 -1.08 0.00 0.00 179.45 178.60 3guy h TRP 146 N 0.61 1.06 -0.30 -1.35 4.06 -0.19 -1.45 115.95 118.38 3guy h TRP 146 Ca 0.07 0.03 0.01 0.00 2.06 0.00 0.00 58.89 61.05 3guy h TRP 146 Cb 0.84 -0.35 -0.02 0.00 -1.00 0.00 0.00 29.16 28.63 3guy h TRP 146 CO 0.06 0.60 0.19 0.00 -3.56 0.00 0.00 178.44 175.74 3guy h ALA 147 N 1.49 0.38 -0.67 1.49 0.00 -1.20 -0.22 119.26 120.54 3guy h ALA 147 Ca 0.36 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.19 3guy h ALA 147 Cb 0.05 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3guy h ALA 147 CO -0.11 -0.17 0.17 0.28 0.00 0.00 0.00 179.25 179.42 3guy h VAL 148 N 0.39 1.26 -0.75 0.00 2.07 -1.02 -0.56 116.25 117.64 3guy h VAL 148 Ca 0.11 -0.93 -0.06 0.00 0.82 0.00 0.00 66.70 66.64 3guy h VAL 148 Cb -0.03 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 30.30 3guy h VAL 148 CO -0.04 0.36 0.23 0.50 0.02 0.00 0.00 177.57 178.64 3guy h LYS 149 N 0.99 1.16 -0.37 1.57 3.64 -0.74 -1.08 116.57 121.74 3guy h LYS 149 Ca 0.21 -0.25 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 3guy h LYS 149 Cb 0.35 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.99 3guy h LYS 149 CO 0.00 0.98 0.21 0.78 -2.27 0.00 0.00 179.45 179.15 3guy h GLY 150 N 1.12 0.54 0.33 5.01 0.00 -0.81 -0.21 103.07 109.05 3guy h GLY 150 Ca 0.24 -0.24 0.03 0.00 0.00 0.00 0.00 47.33 47.36 3guy h GLY 150 CO -0.01 0.23 -0.34 -2.00 0.00 0.00 0.00 176.54 174.42 3guy h LEU 151 N 0.47 -1.01 -0.80 3.11 5.85 -0.87 -1.85 115.31 120.22 3guy h LEU 151 Ca 0.13 0.12 -0.11 0.00 0.84 0.00 0.00 57.88 58.86 3guy h LEU 151 Cb 0.04 0.39 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 3guy h LEU 151 CO -0.02 -0.41 -0.29 0.16 -0.34 0.00 0.00 178.44 177.53 3guy h ILE 152 N -0.53 1.28 -0.29 4.05 -0.00 -0.93 -1.13 117.51 119.96 3guy h ILE 152 Ca 0.04 -1.38 -0.08 0.00 -0.00 0.00 0.00 64.86 63.45 3guy h ILE 152 Cb 0.59 1.38 -0.02 0.00 -0.00 0.00 0.00 36.82 38.78 3guy h ILE 152 CO -0.24 0.44 -0.16 -0.33 -0.00 0.00 0.00 178.15 177.86 3guy h GLU 153 N 0.49 0.50 -0.16 0.16 4.39 -1.02 -0.04 114.58 118.91 3guy h GLU 153 Ca 0.06 -0.16 -0.08 0.00 0.34 0.00 0.00 59.36 59.53 3guy h GLU 153 Cb 0.76 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.36 3guy h GLU 153 CO 0.06 0.65 -0.20 0.77 -1.16 0.00 0.00 179.01 179.12 3guy h SER 154 N 0.46 0.45 -0.44 1.42 0.02 -1.02 -3.10 113.55 111.34 3guy h SER 154 Ca 0.08 -0.51 -0.04 0.00 -0.84 0.00 0.00 61.79 60.49 3guy h SER 154 Cb 0.54 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.93 3guy h SER 154 CO 0.03 0.87 0.15 0.58 -1.14 0.00 0.00 176.83 177.33 3guy h VAL 155 N 0.05 1.20 -0.99 2.27 2.07 -1.01 -2.21 116.25 117.63 3guy h VAL 155 Ca 0.02 -0.69 0.10 0.00 0.82 0.00 0.00 66.70 66.95 3guy h VAL 155 Cb 0.76 0.66 -0.08 0.00 -1.52 0.00 0.00 31.29 31.11 3guy h VAL 155 CO 0.05 0.26 0.62 0.03 0.02 0.00 0.00 177.57 178.55 3guy h ARG 156 N 0.72 1.02 -0.57 1.57 3.08 -0.98 0.79 114.38 120.01 3guy h ARG 156 Ca 0.17 -0.06 -0.06 0.00 0.07 0.00 0.00 59.98 60.10 3guy h ARG 156 Cb 0.22 -0.23 -0.03 0.00 0.08 0.00 0.00 29.97 30.01 3guy h ARG 156 CO -0.01 0.67 0.13 -0.07 -1.07 0.00 0.00 179.97 179.63 3guy h LEU 157 N 1.05 0.83 -1.24 3.04 3.38 -1.33 -2.45 115.31 118.58 3guy h LEU 157 Ca 0.46 -0.16 -0.07 0.00 0.09 0.00 0.00 57.88 58.21 3guy h LEU 157 Cb 0.36 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3guy h LEU 157 CO -0.23 0.82 -0.31 -0.33 0.09 0.00 0.00 178.44 178.47 3guy h GLU 158 N 0.85 0.00 -0.09 1.13 5.08 -0.94 -3.06 114.58 117.54 3guy h GLU 158 Ca 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 3guy h GLU 158 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 3guy h GLU 158 CO -0.00 0.31 0.00 1.28 -1.00 0.00 0.00 179.01 179.60 3guy n LEU 159 N -3.69 1.37 -4.62 1.33 4.77 0.15 -4.93 117.00 111.38 3guy n LEU 159 Ca -0.01 -0.53 -0.57 0.00 -0.03 0.00 0.00 56.01 54.87 3guy n LEU 159 Cb 0.42 -0.06 -0.07 0.00 -2.33 0.00 0.00 43.42 41.38 3guy n LEU 159 CO 0.36 0.27 0.97 0.29 -1.33 0.00 0.00 177.39 177.94 3guy n LYS 160 N 0.10 0.74 -0.98 3.23 5.02 -1.08 -1.10 118.16 124.09 3guy n LYS 160 Ca 0.17 0.27 0.00 0.00 -2.02 0.00 0.00 58.31 56.73 3guy n LYS 160 Cb 0.30 -1.87 0.00 0.00 -0.02 0.00 0.00 35.03 33.44 3guy n LYS 160 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3guy n GLY 161 N 2.90 0.63 3.71 0.72 0.00 -1.26 -5.03 105.19 106.87 3guy n GLY 161 Ca 0.22 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.00 3guy n GLY 161 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3guy s LYS 162 N -0.14 2.55 0.40 1.61 1.02 -0.26 -5.06 119.74 119.87 3guy s LYS 162 Ca 0.00 -1.18 0.21 0.00 0.02 0.00 0.00 55.97 55.02 3guy s LYS 162 Cb 0.00 -2.37 0.50 0.00 -0.52 0.00 0.00 37.83 35.44 3guy s LYS 162 CO 0.00 0.41 1.65 -1.00 -0.92 0.00 0.00 175.35 175.49 3guy h PRO 163 N 2.04 0.00 -6.68 -1.68 0.13 -1.81 -3.45 132.00 120.56 3guy h PRO 163 Ca -0.46 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.14 3guy h PRO 163 Cb 1.23 0.00 0.05 0.00 0.13 0.00 0.00 31.00 32.41 3guy h PRO 163 CO 0.60 0.23 0.85 1.41 -0.23 0.00 0.00 178.00 180.86 3guy s MET 164 N -3.28 4.22 0.03 0.86 1.75 -1.06 -4.38 119.30 117.43 3guy s MET 164 Ca 0.04 2.38 0.09 0.00 -1.25 0.00 0.00 55.69 56.94 3guy s MET 164 Cb 0.08 -3.12 -0.03 0.00 2.84 0.00 0.00 34.83 34.60 3guy s MET 164 CO 0.68 -0.56 -0.25 0.15 -0.65 0.00 0.00 175.02 174.39 3guy s LYS 165 N 0.45 1.79 -0.22 4.11 1.02 -0.41 -4.96 119.74 121.53 3guy s LYS 165 Ca 0.66 -1.04 -0.07 0.00 0.02 0.00 0.00 55.97 55.54 3guy s LYS 165 Cb -0.44 -1.91 -0.03 0.00 -0.52 0.00 0.00 37.83 34.93 3guy s LYS 165 CO 0.37 0.50 0.06 0.42 -0.92 0.00 0.00 175.35 175.78 3guy s ILE 166 N -0.75 4.46 -0.21 2.17 1.01 -1.26 -0.59 121.20 126.03 3guy s ILE 166 Ca 0.11 -0.13 -0.05 0.00 0.00 0.00 0.00 60.65 60.57 3guy s ILE 166 Cb -0.10 -3.05 -0.02 0.00 0.01 0.00 0.00 42.46 39.30 3guy s ILE 166 CO 0.01 0.39 0.00 -0.63 0.00 0.00 0.00 174.94 174.72 3guy s ILE 167 N 1.06 3.92 -0.13 2.92 -1.09 0.43 -4.91 121.20 123.39 3guy s ILE 167 Ca 0.04 -0.32 -0.10 0.00 -2.23 0.00 0.00 60.65 58.04 3guy s ILE 167 Cb -0.14 -2.78 -0.05 0.00 -1.58 0.00 0.00 42.46 37.91 3guy s ILE 167 CO 0.03 0.42 0.19 0.00 -1.23 0.00 0.00 174.94 174.36 3guy s ALA 168 N 1.08 3.77 -0.05 9.38 0.00 -0.33 -0.34 121.76 135.27 3guy s ALA 168 Ca 0.02 -0.57 0.02 0.00 0.00 0.00 0.00 51.96 51.43 3guy s ALA 168 Cb -0.14 -2.14 0.01 0.00 0.00 0.00 0.00 23.12 20.85 3guy s ALA 168 CO 0.01 0.41 -0.10 0.08 0.00 0.00 0.00 175.76 176.16 3guy s VAL 169 N -0.46 0.95 -0.59 0.00 1.01 -0.66 -1.51 120.40 119.13 3guy s VAL 169 Ca 0.15 -0.39 0.04 0.00 0.00 0.00 0.00 61.98 61.78 3guy s VAL 169 Cb -0.12 -0.88 0.15 0.00 0.00 0.00 0.00 36.38 35.53 3guy s VAL 169 CO 0.04 0.31 0.37 -0.31 0.00 0.00 0.00 175.10 175.50 3guy s TYR 170 N 0.59 3.19 0.26 5.22 2.02 0.06 -1.01 117.35 127.68 3guy s TYR 170 Ca -0.11 -3.17 -0.24 0.00 -0.37 0.00 0.00 57.07 53.18 3guy s TYR 170 Cb -0.14 -2.63 -0.09 0.00 -0.40 0.00 0.00 41.96 38.70 3guy s TYR 170 CO 0.02 -0.66 0.85 -1.25 -1.57 0.00 0.00 175.55 172.94 3guy s PRO 171 N -0.75 4.52 1.07 -1.71 0.04 -1.26 -1.84 135.00 135.06 3guy s PRO 171 Ca 0.21 1.18 -0.18 0.00 0.04 0.00 0.00 61.00 62.25 3guy s PRO 171 Cb -0.15 -2.96 0.28 0.00 0.04 0.00 0.00 34.50 31.71 3guy s PRO 171 CO -0.08 0.39 0.71 0.41 0.04 0.00 0.00 177.00 178.47 3guy n GLY 172 N 0.89 -3.56 3.73 0.56 0.00 0.11 -1.49 105.19 105.43 3guy n GLY 172 Ca -0.01 -1.34 -0.42 0.00 0.00 0.00 0.00 46.02 44.25 3guy n GLY 172 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3guy n GLY 173 N -4.03 1.03 2.63 -0.02 0.00 -1.26 -4.84 105.19 98.70 3guy n GLY 173 Ca 0.11 0.40 -0.27 0.00 0.00 0.00 0.00 46.02 46.25 3guy n GLY 173 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3guy n MET 174 N 1.33 1.46 0.00 1.61 2.81 -1.26 -2.26 117.12 120.81 3guy n MET 174 Ca 0.06 -4.09 0.00 0.00 -1.81 0.00 0.00 57.70 51.86 3guy n MET 174 Cb 0.36 -2.04 0.00 0.00 -0.71 0.00 0.00 33.22 30.84 3guy n MET 174 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 3guy n PHE 191 N 1.92 0.00 -0.96 2.03 7.35 -1.26 -4.96 117.46 121.58 3guy n PHE 191 Ca 0.24 0.00 -0.34 0.00 -0.76 0.00 0.00 57.45 56.59 3guy n PHE 191 Cb 0.41 0.00 0.10 0.00 0.35 0.00 0.00 39.48 40.34 3guy n PHE 191 CO 0.00 0.00 0.00 -1.33 -0.76 0.00 0.00 176.76 174.67 3guy n MET 192 N 0.31 -0.08 -3.32 -4.13 2.00 -0.96 -5.04 117.12 105.90 3guy n MET 192 Ca 0.00 0.02 -0.29 0.00 0.00 0.00 0.00 57.70 57.44 3guy n MET 192 Cb 0.00 -1.85 -0.03 0.00 0.00 0.00 0.00 33.22 31.34 3guy n MET 192 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 3guy s SER 193 N -1.82 6.46 0.28 7.83 1.04 -1.26 -4.98 113.70 121.25 3guy s SER 193 Ca 0.60 0.75 0.01 0.00 0.48 0.00 0.00 55.95 57.79 3guy s SER 193 Cb -0.26 -2.16 0.65 0.00 0.10 0.00 0.00 66.02 64.36 3guy s SER 193 CO 0.64 -0.19 1.70 0.00 0.98 0.00 0.00 173.24 176.37 3guy h ALA 194 N 1.73 1.32 -0.66 5.32 0.00 -1.92 -0.03 119.26 125.02 3guy h ALA 194 Ca -0.48 0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.61 3guy h ALA 194 Cb 1.19 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 19.09 3guy h ALA 194 CO 0.66 -0.32 0.42 1.49 0.00 0.00 0.00 179.25 181.51 3guy h GLU 195 N 0.40 0.82 -0.38 0.00 4.81 -1.94 -0.76 114.58 117.53 3guy h GLU 195 Ca 0.52 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 59.60 3guy h GLU 195 Cb 0.95 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.13 3guy h GLU 195 CO -0.51 0.54 -0.15 -0.44 -0.73 0.00 0.00 179.01 177.72 3guy h ASP 196 N 0.84 0.79 -0.35 1.04 3.32 -1.41 -1.97 116.42 118.68 3guy h ASP 196 Ca 0.26 -0.39 0.02 0.00 0.02 0.00 0.00 57.03 56.93 3guy h ASP 196 Cb -0.03 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.28 3guy h ASP 196 CO -0.08 1.01 0.19 0.00 -1.72 0.00 0.00 179.24 178.63 3guy h ALA 197 N 0.81 0.43 -0.68 3.45 0.00 -1.31 -2.36 119.26 119.59 3guy h ALA 197 Ca 0.09 0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.04 3guy h ALA 197 Cb 0.69 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.36 3guy h ALA 197 CO 0.05 -0.18 0.41 0.00 0.00 0.00 0.00 179.25 179.54 3guy h ALA 198 N 1.17 0.90 -0.36 0.00 0.00 -1.00 0.25 119.26 120.22 3guy h ALA 198 Ca 0.14 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.06 3guy h ALA 198 Cb 0.03 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3guy h ALA 198 CO -0.08 0.16 0.18 1.25 0.00 0.00 0.00 179.25 180.76 3guy h LEU 199 N 0.80 0.28 -0.16 0.00 6.46 -1.09 0.44 115.31 122.03 3guy h LEU 199 Ca 0.28 0.01 -0.13 0.00 -0.12 0.00 0.00 57.88 57.93 3guy h LEU 199 Cb 0.07 -0.04 0.00 0.00 -0.73 0.00 0.00 40.66 39.96 3guy h LEU 199 CO -0.13 0.20 -0.40 -0.03 -0.62 0.00 0.00 178.44 177.47 3guy h MET 200 N 0.38 0.56 0.36 1.25 4.05 -0.87 0.10 114.93 120.75 3guy h MET 200 Ca 0.15 -0.38 -0.02 0.00 -0.28 0.00 0.00 59.70 59.17 3guy h MET 200 Cb 0.05 0.06 0.00 0.00 -0.80 0.00 0.00 31.60 30.91 3guy h MET 200 CO -0.10 1.00 -0.17 0.82 0.23 0.00 0.00 176.91 178.69 3guy h ILE 201 N 0.20 0.66 -0.62 1.77 2.04 -0.43 0.84 117.51 121.96 3guy h ILE 201 Ca -0.00 -0.09 0.04 0.00 1.00 0.00 0.00 64.86 65.81 3guy h ILE 201 Cb 1.01 0.71 -0.05 0.00 -0.74 0.00 0.00 36.82 37.75 3guy h ILE 201 CO 0.09 0.02 0.36 -0.74 0.00 0.00 0.00 178.15 177.88 3guy h HIS 202 N -0.53 0.67 0.00 1.37 2.76 -0.94 -2.20 115.15 116.28 3guy h HIS 202 Ca -0.05 0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.11 3guy h HIS 202 Cb 0.40 -0.21 -0.00 0.00 1.55 0.00 0.00 27.41 29.14 3guy h HIS 202 CO -0.04 0.35 -0.16 0.78 -1.30 0.00 0.00 177.93 177.57 3guy h GLY 203 N 0.69 0.00 0.70 5.26 0.00 -0.51 -3.32 103.07 105.89 3guy h GLY 203 Ca 0.27 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.27 3guy h GLY 203 CO -0.14 0.00 -1.92 0.00 0.00 0.00 0.00 176.54 174.48 3guy n ALA 204 N -2.44 1.33 -1.94 3.60 0.00 0.26 -4.89 120.51 116.42 3guy n ALA 204 Ca -0.02 -0.81 -0.42 0.00 0.00 0.00 0.00 53.44 52.18 3guy n ALA 204 Cb 0.23 -0.68 -0.03 0.00 0.00 0.00 0.00 19.45 18.98 3guy n ALA 204 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3guy s LEU 205 N -6.29 4.37 -0.04 0.00 1.43 -0.93 -4.88 118.68 112.35 3guy s LEU 205 Ca -0.12 2.57 -0.25 0.00 -1.03 0.00 0.00 54.13 55.31 3guy s LEU 205 Cb 0.07 -3.59 0.05 0.00 0.03 0.00 0.00 46.19 42.76 3guy s LEU 205 CO 0.80 -0.83 0.53 0.00 0.23 0.00 0.00 176.35 177.08 3guy s ALA 206 N 1.49 -1.38 -0.27 4.21 0.00 -1.26 -4.99 121.76 119.56 3guy s ALA 206 Ca 0.71 0.93 -0.02 0.00 0.00 0.00 0.00 51.96 53.58 3guy s ALA 206 Cb -0.43 0.03 0.09 0.00 0.00 0.00 0.00 23.12 22.81 3guy s ALA 206 CO 0.31 -0.33 0.08 -0.80 0.00 0.00 0.00 175.76 175.03 3guy s ASN 207 N -1.24 3.61 -0.14 0.00 -0.87 -1.26 -1.55 114.94 113.49 3guy s ASN 207 Ca -0.12 -1.32 0.01 0.00 -1.57 0.00 0.00 52.86 49.86 3guy s ASN 207 Cb -0.02 -0.71 0.02 0.00 -0.02 0.00 0.00 41.25 40.52 3guy s ASN 207 CO 0.08 -0.38 -0.18 -0.63 -2.57 0.00 0.00 177.10 173.42 3guy s ILE 208 N 1.76 1.76 0.00 0.60 1.01 -0.69 -5.00 121.20 120.64 3guy s ILE 208 Ca 0.06 -0.78 0.00 0.00 0.00 0.00 0.00 60.65 59.93 3guy s ILE 208 Cb -0.17 -1.60 0.00 0.00 0.01 0.00 0.00 42.46 40.70 3guy s ILE 208 CO -0.21 0.49 0.00 0.61 0.00 0.00 0.00 174.94 175.83 3guy n GLY 209 N 4.37 3.71 0.38 6.18 0.00 -1.26 -2.21 105.19 116.36 3guy n GLY 209 Ca -0.19 0.06 0.02 0.00 0.00 0.00 0.00 46.02 45.92 3guy n GLY 209 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3guy n ASN 210 N 6.03 1.05 -4.05 1.61 5.15 -1.26 -4.94 115.26 118.85 3guy n ASN 210 Ca 0.00 -2.03 -0.10 0.00 -0.60 0.00 0.00 54.58 51.85 3guy n ASN 210 Cb 0.00 -0.18 -0.07 0.00 -0.53 0.00 0.00 39.78 39.00 3guy n ASN 210 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 3guy s GLY 211 N -0.87 0.79 0.07 8.20 0.00 -0.94 -5.17 107.32 109.40 3guy s GLY 211 Ca 0.11 -1.12 -0.18 0.00 0.00 0.00 0.00 44.72 43.54 3guy s GLY 211 CO 0.07 -0.86 0.42 -2.52 0.00 0.00 0.00 173.10 170.20 3guy s TYR 212 N -4.06 -0.26 -0.41 1.90 -0.85 -1.26 -1.71 117.35 110.70 3guy s TYR 212 Ca 0.27 0.15 -0.29 0.00 -0.52 0.00 0.00 57.07 56.68 3guy s TYR 212 Cb 0.02 0.24 0.02 0.00 0.38 0.00 0.00 41.96 42.62 3guy s TYR 212 CO 0.09 -0.61 1.13 0.08 -1.52 0.00 0.00 175.55 174.72 3guy s VAL 213 N -2.83 4.30 -0.12 -3.49 1.01 -0.59 -4.92 120.40 113.76 3guy s VAL 213 Ca -0.03 1.41 0.20 0.00 0.00 0.00 0.00 61.98 63.55 3guy s VAL 213 Cb -0.00 -4.51 -0.21 0.00 0.00 0.00 0.00 36.38 31.66 3guy s VAL 213 CO -0.05 -0.79 0.56 -1.54 0.00 0.00 0.00 175.10 173.28 3guy n SER 214 N 7.52 0.37 -3.69 3.32 3.41 -1.26 -4.71 113.62 118.57 3guy n SER 214 Ca 0.12 0.16 -0.12 0.00 -0.26 0.00 0.00 58.87 58.76 3guy n SER 214 Cb 0.48 1.02 -0.09 0.00 -0.26 0.00 0.00 64.21 65.36 3guy n SER 214 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3guy s ASP 215 N -5.23 -0.58 -0.01 4.04 1.01 -1.26 -1.19 116.67 113.46 3guy s ASP 215 Ca -0.06 1.07 -0.04 0.00 0.71 0.00 0.00 52.55 54.23 3guy s ASP 215 Cb 0.10 1.05 -0.00 0.00 1.01 0.00 0.00 42.92 45.08 3guy s ASP 215 CO 0.85 -0.19 0.09 0.27 0.21 0.00 0.00 175.17 176.39 3guy s ILE 216 N 0.57 0.06 -0.08 0.77 -4.36 -0.57 -4.98 121.20 112.61 3guy s ILE 216 Ca -0.02 -0.48 0.03 0.00 -0.26 0.00 0.00 60.65 59.92 3guy s ILE 216 Cb -0.04 -0.29 0.01 0.00 1.25 0.00 0.00 42.46 43.38 3guy s ILE 216 CO -0.03 -0.27 -0.18 -0.89 0.24 0.00 0.00 174.94 173.82 3guy s THR 217 N -0.86 1.55 -0.08 8.37 2.01 -1.26 -0.76 115.64 124.61 3guy s THR 217 Ca -0.09 -0.73 0.04 0.00 0.31 0.00 0.00 61.69 61.21 3guy s THR 217 Cb -0.06 -1.37 0.00 0.00 0.01 0.00 0.00 72.50 71.09 3guy s THR 217 CO 0.00 0.45 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.49 3guy s VAL 218 N 0.44 1.76 0.24 3.82 1.01 -0.77 -4.97 120.40 121.93 3guy s VAL 218 Ca -0.15 -0.86 0.01 0.00 0.00 0.00 0.00 61.98 60.98 3guy s VAL 218 Cb -0.16 -1.52 -0.05 0.00 0.00 0.00 0.00 36.38 34.65 3guy s VAL 218 CO 0.06 0.49 0.11 0.20 0.00 0.00 0.00 175.10 175.96 3guy s ASN 219 N 0.27 0.87 0.00 3.32 -0.87 -1.26 0.09 114.94 117.36 3guy s ASN 219 Ca -0.13 -1.40 0.31 0.00 -1.57 0.00 0.00 52.86 50.08 3guy s ASN 219 Cb -0.16 0.25 1.80 0.00 -0.02 0.00 0.00 41.25 43.12 3guy s ASN 219 CO 0.06 -0.78 2.17 -1.14 -2.57 0.00 0.00 177.10 174.84