#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 3.91 -0.16 1.96 -1.09 -0.74 -0.34 121.20 124.73 3guy s ILE 2 Ca 0.00 -0.74 -0.14 0.00 -2.23 0.00 0.00 60.65 57.54 3guy s ILE 2 Cb 0.00 -3.03 -0.05 0.00 -1.58 0.00 0.00 42.46 37.81 3guy s ILE 2 CO 0.00 0.07 0.31 -0.69 -1.23 0.00 0.00 174.94 173.39 3guy s VAL 3 N 1.49 5.29 -0.15 2.92 1.01 -0.44 -1.43 120.40 129.09 3guy s VAL 3 Ca 0.02 0.57 0.00 0.00 0.00 0.00 0.00 61.98 62.57 3guy s VAL 3 Cb -0.17 -3.65 0.03 0.00 0.00 0.00 0.00 36.38 32.59 3guy s VAL 3 CO 0.02 0.37 -0.12 -0.63 0.00 0.00 0.00 175.10 174.75 3guy s ILE 4 N 0.57 1.45 0.45 2.22 1.01 -0.35 -0.07 121.20 126.48 3guy s ILE 4 Ca 0.17 -0.62 -0.04 0.00 0.00 0.00 0.00 60.65 60.16 3guy s ILE 4 Cb -0.13 -1.42 -0.03 0.00 0.01 0.00 0.00 42.46 40.89 3guy s ILE 4 CO 0.04 0.38 0.73 0.42 0.00 0.00 0.00 174.94 176.51 3guy s THR 5 N 1.53 4.85 -1.25 2.92 -4.23 0.12 -0.91 115.64 118.66 3guy s THR 5 Ca 0.04 -0.01 -0.02 0.00 -1.18 0.00 0.00 61.69 60.51 3guy s THR 5 Cb -0.13 -3.83 0.00 0.00 1.34 0.00 0.00 72.50 69.88 3guy s THR 5 CO -0.10 -0.73 0.30 0.61 -0.54 0.00 0.00 174.62 174.16 3guy n GLY 6 N -2.15 -0.25 0.97 3.99 0.00 -0.89 -2.62 105.19 104.24 3guy n GLY 6 Ca -0.01 -0.13 0.11 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.65 2.45 0.19 4.61 0.00 -0.54 -3.66 120.51 120.91 3guy n ALA 7 Ca -0.12 -0.85 0.06 0.00 0.00 0.00 0.00 53.44 52.52 3guy n ALA 7 Cb 0.61 -0.95 0.37 0.00 0.00 0.00 0.00 19.45 19.48 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 3.68 0.00 -1.28 0.00 0.02 -1.90 -3.34 113.55 110.73 3guy h SER 8 Ca 0.00 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.96 3guy h SER 8 Cb 0.81 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.35 3guy h SER 8 CO 0.00 0.36 0.10 -1.54 -1.14 0.00 0.00 176.83 174.60 3guy n SER 9 N -3.60 -0.49 0.00 3.07 3.41 -1.26 -4.54 113.62 110.22 3guy n SER 9 Ca -0.01 -1.31 0.00 0.00 -0.26 0.00 0.00 58.87 57.30 3guy n SER 9 Cb 0.48 0.80 0.00 0.00 -0.26 0.00 0.00 64.21 65.23 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 -0.14 2.24 0.22 5.00 0.00 -1.26 -3.00 105.19 108.25 3guy n GLY 10 Ca -0.01 -0.50 -0.09 0.00 0.00 0.00 0.00 46.02 45.42 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 0.68 -0.90 0.99 5.85 -1.84 -1.92 115.31 118.16 3guy h LEU 11 Ca 0.00 -0.20 -0.02 0.00 0.84 0.00 0.00 57.88 58.50 3guy h LEU 11 Cb 0.00 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 40.81 3guy h LEU 11 CO 0.00 0.70 0.49 1.23 -0.34 0.00 0.00 178.44 180.52 3guy h GLY 12 N 0.62 1.35 0.92 3.75 0.00 -1.63 -0.80 103.07 107.28 3guy h GLY 12 Ca 0.15 -0.62 -0.01 0.00 0.00 0.00 0.00 47.33 46.86 3guy h GLY 12 CO -0.01 0.59 0.12 0.00 0.00 0.00 0.00 176.54 177.24 3guy h ALA 13 N 1.27 0.33 -0.77 3.60 0.00 -1.42 -1.37 119.26 120.89 3guy h ALA 13 Ca 0.32 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 3guy h ALA 13 Cb 0.03 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3guy h ALA 13 CO -0.05 -0.11 0.30 0.93 0.00 0.00 0.00 179.25 180.32 3guy h GLU 14 N 0.27 1.15 -0.77 0.00 4.39 -1.13 -2.66 114.58 115.84 3guy h GLU 14 Ca 0.09 -0.21 -0.04 0.00 0.34 0.00 0.00 59.36 59.54 3guy h GLU 14 Cb 0.13 -0.19 -0.03 0.00 -0.10 0.00 0.00 28.75 28.56 3guy h GLU 14 CO -0.01 0.94 0.34 -0.07 -1.16 0.00 0.00 179.01 179.05 3guy h LEU 15 N 1.12 1.03 -0.59 1.33 3.38 -1.06 -2.68 115.31 117.84 3guy h LEU 15 Ca 0.26 -0.15 0.06 0.00 0.09 0.00 0.00 57.88 58.13 3guy h LEU 15 Cb 0.22 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.66 3guy h LEU 15 CO -0.02 0.90 0.31 0.00 0.09 0.00 0.00 178.44 179.71 3guy h ALA 16 N 1.17 0.78 -0.62 1.53 0.00 -0.91 -1.11 119.26 120.10 3guy h ALA 16 Ca 0.26 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.21 3guy h ALA 16 Cb 0.16 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 3guy h ALA 16 CO -0.03 -0.04 0.41 0.87 0.00 0.00 0.00 179.25 180.46 3guy h LYS 17 N 0.57 0.80 0.10 0.00 1.57 -1.35 0.24 116.57 118.50 3guy h LYS 17 Ca 0.27 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.99 3guy h LYS 17 Cb 0.19 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.32 3guy h LYS 17 CO -0.19 0.53 -0.05 -0.07 -0.57 0.00 0.00 179.45 179.11 3guy h LEU 18 N 0.83 -0.11 -0.77 2.94 3.38 -1.12 -0.25 115.31 120.20 3guy h LEU 18 Ca 0.23 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.12 3guy h LEU 18 Cb -0.08 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 3guy h LEU 18 CO -0.06 -0.06 0.19 1.88 0.09 0.00 0.00 178.44 180.49 3guy h TYR 19 N -0.15 1.16 -0.12 1.13 0.05 -1.04 -2.99 116.97 115.02 3guy h TYR 19 Ca -0.01 -0.13 0.01 0.00 0.05 0.00 0.00 58.73 58.65 3guy h TYR 19 Cb 0.12 -0.33 -0.01 0.00 1.01 0.00 0.00 36.73 37.52 3guy h TYR 19 CO -0.06 0.93 0.05 0.22 -1.05 0.00 0.00 178.16 178.25 3guy h ASP 20 N 1.07 0.07 -0.85 3.88 3.58 -0.39 -2.01 116.42 121.76 3guy h ASP 20 Ca 0.23 0.01 0.23 0.00 0.42 0.00 0.00 57.03 57.91 3guy h ASP 20 Cb 0.34 -0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.34 3guy h ASP 20 CO -0.00 0.06 0.60 0.00 -2.88 0.00 0.00 179.24 177.01 3guy h ALA 21 N 1.06 2.61 0.00 -0.78 0.00 -0.96 0.44 119.26 121.64 3guy h ALA 21 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3guy h ALA 21 Cb 0.02 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3guy h ALA 21 CO -0.04 -0.86 0.00 0.39 0.00 0.00 0.00 179.25 178.73 3guy n GLU 22 N -4.36 0.59 -0.71 0.00 1.02 -1.04 -4.89 120.64 111.24 3guy n GLU 22 Ca 0.18 0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.34 3guy n GLU 22 Cb 0.84 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.76 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 0.78 0.58 3.85 0.62 0.00 0.15 -5.05 105.19 106.12 3guy n GLY 23 Ca 0.16 -0.58 -0.38 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.13 3.83 0.21 1.61 1.02 -0.78 -4.99 119.74 119.50 3guy s LYS 24 Ca 0.00 0.31 -0.30 0.00 0.02 0.00 0.00 55.97 56.00 3guy s LYS 24 Cb 0.00 -3.20 -0.09 0.00 -0.52 0.00 0.00 37.83 34.02 3guy s LYS 24 CO 0.00 0.70 1.30 0.00 -0.92 0.00 0.00 175.35 176.43 3guy s ALA 25 N -1.09 3.52 0.07 5.17 0.00 -1.26 -4.12 121.76 124.05 3guy s ALA 25 Ca 0.23 1.11 0.07 0.00 0.00 0.00 0.00 51.96 53.37 3guy s ALA 25 Cb -0.16 -3.47 -0.03 0.00 0.00 0.00 0.00 23.12 19.46 3guy s ALA 25 CO 0.12 -0.53 -0.19 0.95 0.00 0.00 0.00 175.76 176.11 3guy s THR 26 N -0.05 1.56 -0.15 0.00 -4.23 -1.25 -1.80 115.64 109.73 3guy s THR 26 Ca 0.55 -1.34 0.00 0.00 -1.18 0.00 0.00 61.69 59.73 3guy s THR 26 Cb -0.37 -1.40 0.03 0.00 1.34 0.00 0.00 72.50 72.10 3guy s THR 26 CO 0.40 0.02 -0.10 -0.47 -0.54 0.00 0.00 174.62 173.93 3guy s TYR 27 N -1.01 1.91 -0.11 3.99 5.04 -0.52 -0.59 117.35 126.05 3guy s TYR 27 Ca 0.05 -1.09 -0.02 0.00 -2.44 0.00 0.00 57.07 53.57 3guy s TYR 27 Cb -0.09 -1.44 -0.03 0.00 0.35 0.00 0.00 41.96 40.74 3guy s TYR 27 CO 0.03 -0.62 -0.02 -0.51 -1.34 0.00 0.00 175.55 173.09 3guy s LEU 28 N 1.57 3.41 0.11 6.97 1.43 -0.62 -1.21 118.68 130.33 3guy s LEU 28 Ca 0.03 0.01 0.06 0.00 -1.03 0.00 0.00 54.13 53.21 3guy s LEU 28 Cb -0.14 -1.79 -0.04 0.00 0.03 0.00 0.00 46.19 44.26 3guy s LEU 28 CO -0.09 0.29 -0.15 0.28 0.23 0.00 0.00 176.35 176.91 3guy s THR 29 N -0.35 1.33 0.00 5.49 -1.32 -0.09 -1.22 115.64 119.48 3guy s THR 29 Ca 0.06 -1.60 0.00 0.00 -1.21 0.00 0.00 61.69 58.94 3guy s THR 29 Cb -0.12 -1.43 0.00 0.00 -1.51 0.00 0.00 72.50 69.44 3guy s THR 29 CO 0.02 -0.33 0.00 0.61 -2.21 0.00 0.00 174.62 172.72 3guy n GLY 30 N 0.77 1.45 0.08 6.08 0.00 -1.21 -1.46 105.19 110.90 3guy n GLY 30 Ca -0.17 -0.92 -0.08 0.00 0.00 0.00 0.00 46.02 44.84 3guy n GLY 30 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3guy h ARG 31 N 0.00 0.06 -5.04 1.61 3.08 -1.91 0.29 114.38 112.47 3guy h ARG 31 Ca 0.00 -0.09 -0.67 0.00 0.07 0.00 0.00 59.98 59.29 3guy h ARG 31 Cb 0.00 0.03 -0.32 0.00 0.08 0.00 0.00 29.97 29.76 3guy h ARG 31 CO 0.00 0.99 -0.80 0.45 -1.07 0.00 0.00 179.97 179.54 3guy s SER 32 N -6.81 3.61 0.23 7.04 0.15 -1.26 -4.61 113.70 112.04 3guy s SER 32 Ca -0.00 -0.54 -0.05 0.00 0.70 0.00 0.00 55.95 56.06 3guy s SER 32 Cb 0.10 -1.58 0.22 0.00 -1.71 0.00 0.00 66.02 63.05 3guy s SER 32 CO 0.82 -0.00 1.72 -0.08 1.20 0.00 0.00 173.24 176.90 3guy h GLU 33 N 7.97 0.94 -0.09 5.44 4.81 -1.95 -1.27 114.58 130.44 3guy h GLU 33 Ca -0.44 -0.26 -0.00 0.00 -0.13 0.00 0.00 59.36 58.54 3guy h GLU 33 Cb 1.15 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 30.42 3guy h GLU 33 CO 0.62 0.91 0.05 1.03 -0.73 0.00 0.00 179.01 180.89 3guy h SER 34 N 0.88 0.11 -0.96 1.04 0.87 -2.00 -0.93 113.55 112.55 3guy h SER 34 Ca 0.17 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.67 3guy h SER 34 Cb 0.46 -0.03 -0.05 0.00 -0.44 0.00 0.00 62.40 62.35 3guy h SER 34 CO 0.02 0.14 0.62 0.11 -0.53 0.00 0.00 176.83 177.19 3guy h LYS 35 N 0.06 1.28 -0.71 2.24 1.57 -1.86 -2.55 116.57 116.61 3guy h LYS 35 Ca 0.03 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 3guy h LYS 35 Cb 0.05 -0.28 -0.03 0.00 0.08 0.00 0.00 32.23 32.05 3guy h LYS 35 CO -0.01 0.87 0.40 -0.07 -0.57 0.00 0.00 179.45 180.07 3guy h LEU 36 N 1.32 0.87 -0.27 2.94 3.38 -0.93 -1.36 115.31 121.26 3guy h LEU 36 Ca 0.35 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.26 3guy h LEU 36 Cb -0.12 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.40 3guy h LEU 36 CO -0.07 0.69 0.17 -1.28 0.09 0.00 0.00 178.44 178.04 3guy h SER 37 N 0.99 0.31 -0.55 -0.43 0.87 -0.97 0.16 113.55 113.92 3guy h SER 37 Ca 0.25 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.80 3guy h SER 37 Cb 0.00 -0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 61.86 3guy h SER 37 CO -0.04 0.23 0.34 0.74 -0.53 0.00 0.00 176.83 177.57 3guy h THR 38 N 0.36 1.16 -0.02 2.23 2.02 -1.01 0.22 112.91 117.87 3guy h THR 38 Ca 0.10 -0.33 -0.00 0.00 0.77 0.00 0.00 66.41 66.95 3guy h THR 38 Cb -0.03 0.39 -0.00 0.00 -1.74 0.00 0.00 68.15 66.76 3guy h THR 38 CO -0.02 0.16 0.01 0.58 0.37 0.00 0.00 175.52 176.61 3guy h VAL 39 N 0.74 1.15 0.00 3.16 2.07 -1.16 -3.16 116.25 119.05 3guy h VAL 39 Ca 0.20 -0.44 -0.05 0.00 0.82 0.00 0.00 66.70 67.23 3guy h VAL 39 Cb -0.04 1.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 3guy h VAL 39 CO -0.04 0.12 -0.24 0.74 0.02 0.00 0.00 177.57 178.17 3guy h THR 40 N -0.16 0.93 -0.01 2.57 2.02 -0.64 -1.99 112.91 115.64 3guy h THR 40 Ca 0.01 -0.88 0.00 0.00 0.77 0.00 0.00 66.41 66.31 3guy h THR 40 Cb 0.19 1.51 -0.00 0.00 -1.74 0.00 0.00 68.15 68.10 3guy h THR 40 CO -0.00 0.23 0.06 0.78 0.37 0.00 0.00 175.52 176.96 3guy h ASN 41 N 0.00 0.00 0.86 4.18 2.35 -0.92 -1.97 115.58 120.09 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 0.49 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.86 3guy h ASN 41 CO 0.03 0.00 -0.05 0.00 -1.65 0.00 0.00 177.43 175.76 3guy s LEU 43 N -2.91 3.51 -0.01 0.00 1.43 -0.74 -5.03 118.68 114.93 3guy s LEU 43 Ca 0.17 -0.16 0.08 0.00 -1.03 0.00 0.00 54.13 53.18 3guy s LEU 43 Cb 0.19 -2.23 -0.11 0.00 0.03 0.00 0.00 46.19 44.07 3guy s LEU 43 CO 0.53 0.17 0.24 -1.54 0.23 0.00 0.00 176.35 175.98 3guy n SER 44 N 0.50 2.04 -0.48 2.29 3.41 -1.26 -4.63 113.62 115.48 3guy n SER 44 Ca -0.10 -0.27 0.04 0.00 -0.26 0.00 0.00 58.87 58.28 3guy n SER 44 Cb 0.52 1.23 0.11 0.00 -0.26 0.00 0.00 64.21 65.82 3guy n SER 44 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3guy n ASN 45 N -1.56 2.68 -4.77 4.04 3.02 -1.26 -5.03 115.26 112.38 3guy n ASN 45 Ca -0.00 -1.98 -0.41 0.00 -0.03 0.00 0.00 54.58 52.16 3guy n ASN 45 Cb 0.18 -0.17 -0.02 0.00 -0.61 0.00 0.00 39.78 39.16 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 -0.99 6.75 -0.16 6.41 3.84 -1.26 -3.77 114.94 125.76 3guy s ASN 46 Ca 0.17 2.71 0.17 0.00 0.21 0.00 0.00 52.86 56.12 3guy s ASN 46 Cb 0.09 -2.65 0.45 0.00 -0.55 0.00 0.00 41.25 38.59 3guy s ASN 46 CO 0.12 -0.55 1.33 1.33 -2.79 0.00 0.00 177.10 176.53 3guy n VAL 47 N 0.77 2.15 0.00 -5.21 0.24 0.24 -4.87 118.33 111.64 3guy n VAL 47 Ca 0.00 -2.01 0.00 0.00 -2.04 0.00 0.00 64.34 60.29 3guy n VAL 47 Cb 0.42 -0.24 0.00 0.00 -1.47 0.00 0.00 33.84 32.54 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 -0.82 3.14 3.36 7.63 0.00 -1.25 -4.94 105.19 112.31 3guy n GLY 48 Ca 0.19 -1.61 -0.10 0.00 0.00 0.00 0.00 46.02 44.50 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 -2.00 -0.19 -0.28 1.61 -0.85 -1.26 -1.60 117.35 112.78 3guy s TYR 49 Ca 0.00 -0.12 -0.15 0.00 -0.52 0.00 0.00 57.07 56.28 3guy s TYR 49 Cb 0.00 0.29 0.09 0.00 0.38 0.00 0.00 41.96 42.72 3guy s TYR 49 CO 0.00 -0.75 0.69 0.50 -1.52 0.00 0.00 175.55 174.47 3guy s ARG 50 N -3.82 0.69 0.19 -3.49 3.52 -0.36 -4.96 118.95 110.73 3guy s ARG 50 Ca 0.04 1.25 -0.30 0.00 -0.13 0.00 0.00 55.73 56.60 3guy s ARG 50 Cb 0.01 0.22 -0.08 0.00 -1.56 0.00 0.00 34.95 33.54 3guy s ARG 50 CO -0.10 -0.16 1.26 0.00 -0.81 0.00 0.00 175.30 175.49 3guy s ALA 51 N 1.78 3.48 -0.07 6.12 0.00 -1.26 -3.29 121.76 128.53 3guy s ALA 51 Ca -0.10 1.03 -0.10 0.00 0.00 0.00 0.00 51.96 52.79 3guy s ALA 51 Cb -0.06 -3.45 0.02 0.00 0.00 0.00 0.00 23.12 19.63 3guy s ALA 51 CO -0.20 -0.47 0.26 1.03 0.00 0.00 0.00 175.76 176.39 3guy s ARG 52 N -0.10 0.42 -0.52 0.00 1.81 0.09 -4.92 118.95 115.73 3guy s ARG 52 Ca 0.55 0.14 -0.23 0.00 -1.72 0.00 0.00 55.73 54.48 3guy s ARG 52 Cb -0.35 0.19 0.04 0.00 -0.45 0.00 0.00 34.95 34.39 3guy s ARG 52 CO 0.37 -0.08 0.83 0.34 -0.68 0.00 0.00 175.30 176.08 3guy s ASP 53 N -0.41 6.32 0.00 0.23 -1.08 -1.26 -4.19 116.67 116.28 3guy s ASP 53 Ca -0.05 -0.45 0.17 0.00 -0.52 0.00 0.00 52.55 51.70 3guy s ASP 53 Cb -0.03 -2.39 0.75 0.00 -1.46 0.00 0.00 42.92 39.78 3guy s ASP 53 CO 0.01 -1.08 1.55 0.18 0.52 0.00 0.00 175.17 176.36 3guy n LEU 54 N 6.98 0.00 0.01 -1.34 4.77 -1.26 -1.94 117.00 124.22 3guy n LEU 54 Ca -0.00 0.49 0.12 0.00 -0.03 0.00 0.00 56.01 56.59 3guy n LEU 54 Cb 0.47 -0.49 0.54 0.00 -2.33 0.00 0.00 43.42 41.61 3guy n LEU 54 CO 0.60 -0.20 0.91 0.00 -1.33 0.00 0.00 177.39 177.37 3guy n ALA 55 N -1.49 2.17 -2.61 -1.18 0.00 -1.26 -3.91 120.51 112.24 3guy n ALA 55 Ca 0.04 -0.08 -0.40 0.00 0.00 0.00 0.00 53.44 53.00 3guy n ALA 55 Cb 0.20 -1.42 -0.11 0.00 0.00 0.00 0.00 19.45 18.12 3guy n ALA 55 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3guy s SER 56 N -3.11 5.94 0.38 0.00 0.15 -0.82 -4.89 113.70 111.35 3guy s SER 56 Ca 0.12 -0.55 0.07 0.00 0.70 0.00 0.00 55.95 56.30 3guy s SER 56 Cb 0.16 -2.10 0.77 0.00 -1.71 0.00 0.00 66.02 63.14 3guy s SER 56 CO 0.48 -0.27 1.95 1.12 1.20 0.00 0.00 173.24 177.72 3guy h HIS 57 N 8.48 0.41 -0.67 3.44 2.07 -1.86 -2.02 115.15 124.99 3guy h HIS 57 Ca -0.30 -0.03 -0.03 0.00 -2.85 0.00 0.00 60.37 57.16 3guy h HIS 57 Cb 1.15 -0.12 -0.03 0.00 2.57 0.00 0.00 27.41 30.97 3guy h HIS 57 CO 0.64 0.39 0.32 1.96 -3.07 0.00 0.00 177.93 178.17 3guy h GLN 58 N 0.40 0.97 -0.27 5.12 7.50 -1.94 0.12 115.11 127.01 3guy h GLN 58 Ca 0.09 -0.15 -0.09 0.00 0.50 0.00 0.00 58.65 59.01 3guy h GLN 58 Cb 0.22 -0.17 -0.01 0.00 0.05 0.00 0.00 27.48 27.56 3guy h GLN 58 CO 0.00 0.78 -0.19 0.93 -1.50 0.00 0.00 178.83 178.84 3guy h GLU 59 N 0.94 0.50 -0.16 1.46 5.08 -1.66 -1.47 114.58 119.25 3guy h GLU 59 Ca 0.23 -0.17 -0.11 0.00 -1.00 0.00 0.00 59.36 58.31 3guy h GLU 59 Cb 0.13 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.34 3guy h GLU 59 CO -0.03 0.67 -0.34 0.28 -1.00 0.00 0.00 179.01 178.59 3guy h VAL 60 N 0.45 1.35 -0.47 3.13 2.07 -1.16 0.33 116.25 121.95 3guy h VAL 60 Ca 0.07 -1.59 0.08 0.00 0.82 0.00 0.00 66.70 66.08 3guy h VAL 60 Cb 0.59 1.96 -0.07 0.00 -1.52 0.00 0.00 31.29 32.25 3guy h VAL 60 CO 0.04 0.48 0.08 -0.08 0.02 0.00 0.00 177.57 178.11 3guy h GLU 61 N 0.16 0.20 -0.08 1.57 4.22 -0.60 -2.28 114.58 117.77 3guy h GLU 61 Ca 0.00 -0.01 -0.10 0.00 0.08 0.00 0.00 59.36 59.33 3guy h GLU 61 Cb 0.94 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.13 3guy h GLU 61 CO 0.08 0.13 -0.41 1.96 -2.18 0.00 0.00 179.01 178.59 3guy h GLN 62 N 0.21 0.18 -0.34 1.92 1.08 -1.10 -0.75 115.11 116.30 3guy h GLN 62 Ca 0.23 -0.08 0.05 0.00 -1.45 0.00 0.00 58.65 57.40 3guy h GLN 62 Cb 0.31 -0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.69 3guy h GLN 62 CO -0.32 0.56 0.07 1.25 -0.95 0.00 0.00 178.83 179.44 3guy h LEU 63 N 0.15 0.02 0.00 1.46 5.85 -0.37 -1.58 115.31 120.83 3guy h LEU 63 Ca 0.01 0.05 -0.15 0.00 0.84 0.00 0.00 57.88 58.64 3guy h LEU 63 Cb 0.79 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.87 3guy h LEU 63 CO 0.06 0.05 -0.71 -0.26 -0.34 0.00 0.00 178.44 177.24 3guy h PHE 64 N 0.19 0.00 -0.29 1.25 0.04 -1.32 -3.19 116.94 113.62 3guy h PHE 64 Ca 0.16 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.91 3guy h PHE 64 Cb 0.18 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.31 3guy h PHE 64 CO -0.18 0.68 0.10 1.49 -0.60 0.00 0.00 178.31 179.80 3guy h GLU 65 N 0.00 0.44 0.00 1.51 4.57 -0.85 -3.02 114.58 117.23 3guy h GLU 65 Ca -0.01 -0.09 0.00 0.00 -1.18 0.00 0.00 59.36 58.08 3guy h GLU 65 Cb 1.53 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 30.05 3guy h GLU 65 CO 0.09 0.49 0.00 1.04 -1.18 0.00 0.00 179.01 179.44 3guy n GLN 66 N -4.72 0.02 0.00 1.92 1.13 -0.62 -5.08 117.38 110.03 3guy n GLN 66 Ca -0.02 0.04 0.00 0.00 -1.94 0.00 0.00 57.00 55.08 3guy n GLN 66 Cb 0.15 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.00 3guy n GLN 66 CO 0.00 0.00 0.00 -0.11 -1.44 0.00 0.00 177.06 175.51 3guy n LEU 67 N -1.49 0.00 0.00 1.08 7.94 -1.15 -5.11 117.00 118.27 3guy n LEU 67 Ca 0.07 0.00 -0.08 0.00 -1.11 0.00 0.00 56.01 54.88 3guy n LEU 67 Cb 0.31 0.00 0.08 0.00 0.53 0.00 0.00 43.42 44.34 3guy n LEU 67 CO 0.25 -0.67 0.11 -1.54 -1.11 0.00 0.00 177.39 174.42 3guy n SER 69 N -1.09 -2.43 -4.67 1.96 3.41 -1.26 -5.05 113.62 104.48 3guy n SER 69 Ca 0.00 -0.31 -0.42 0.00 -0.26 0.00 0.00 58.87 57.88 3guy n SER 69 Cb 0.00 -0.28 -0.03 0.00 -0.26 0.00 0.00 64.21 63.65 3guy n SER 69 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3guy s ILE 70 N -1.34 3.70 0.59 -1.33 1.01 -1.26 -5.03 121.20 117.55 3guy s ILE 70 Ca 0.19 0.98 -0.18 0.00 0.00 0.00 0.00 60.65 61.64 3guy s ILE 70 Cb -0.03 -3.63 -0.04 0.00 0.01 0.00 0.00 42.46 38.77 3guy s ILE 70 CO 0.15 -0.05 1.12 -2.16 0.00 0.00 0.00 174.94 174.01 3guy s PRO 71 N 3.19 3.13 -0.14 2.79 0.04 -1.26 -4.73 135.00 138.01 3guy s PRO 71 Ca 0.66 1.53 -0.03 0.00 0.04 0.00 0.00 61.00 63.21 3guy s PRO 71 Cb -0.31 -1.98 -0.24 0.00 0.04 0.00 0.00 34.50 32.00 3guy s PRO 71 CO 0.26 -1.01 0.28 -1.13 0.04 0.00 0.00 177.00 175.44 3guy n SER 72 N -1.74 1.94 -4.06 6.66 3.41 0.54 -4.65 113.62 115.72 3guy n SER 72 Ca 0.11 0.16 -0.21 0.00 -0.26 0.00 0.00 58.87 58.67 3guy n SER 72 Cb 0.51 -0.67 -0.15 0.00 -0.26 0.00 0.00 64.21 63.64 3guy n SER 72 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3guy s THR 73 N -2.55 0.94 -0.15 6.66 2.01 -1.08 -1.47 115.64 120.00 3guy s THR 73 Ca -0.23 -0.48 0.01 0.00 0.31 0.00 0.00 61.69 61.30 3guy s THR 73 Cb 0.07 -0.81 0.02 0.00 0.01 0.00 0.00 72.50 71.79 3guy s THR 73 CO 0.75 0.28 -0.17 -0.69 -0.69 0.00 0.00 174.62 174.09 3guy s VAL 74 N -0.10 1.80 -0.28 3.82 1.01 0.05 -1.33 120.40 125.37 3guy s VAL 74 Ca 0.01 -0.79 -0.08 0.00 0.00 0.00 0.00 61.98 61.12 3guy s VAL 74 Cb -0.07 -1.64 -0.01 0.00 0.00 0.00 0.00 36.38 34.66 3guy s VAL 74 CO 0.00 0.50 0.11 -0.69 0.00 0.00 0.00 175.10 175.01 3guy s VAL 75 N 1.27 4.38 -0.46 2.92 1.01 0.90 -0.29 120.40 130.13 3guy s VAL 75 Ca 0.02 -0.36 -0.13 0.00 0.00 0.00 0.00 61.98 61.52 3guy s VAL 75 Cb -0.13 -3.16 0.09 0.00 0.00 0.00 0.00 36.38 33.17 3guy s VAL 75 CO -0.09 0.18 0.36 -2.28 0.00 0.00 0.00 175.10 173.27 3guy s HIS 76 N 1.60 3.30 -0.04 5.22 2.46 -0.09 -0.71 115.29 127.03 3guy s HIS 76 Ca 0.05 -1.31 0.05 0.00 0.47 0.00 0.00 55.06 54.33 3guy s HIS 76 Cb -0.16 -3.23 0.08 0.00 -0.13 0.00 0.00 32.58 29.14 3guy s HIS 76 CO 0.05 -0.87 1.03 -1.13 -2.47 0.00 0.00 174.74 171.35 3guy n SER 77 N 5.07 2.04 -4.77 9.88 3.41 -1.08 -1.46 113.62 126.73 3guy n SER 77 Ca -0.11 -2.29 -0.39 0.00 -0.26 0.00 0.00 58.87 55.81 3guy n SER 77 Cb 0.42 -0.13 -0.04 0.00 -0.26 0.00 0.00 64.21 64.21 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 -1.51 3.32 0.00 7.33 0.00 -1.25 -4.60 121.76 125.06 3guy s ALA 78 Ca 0.09 0.92 0.00 0.00 0.00 0.00 0.00 51.96 52.97 3guy s ALA 78 Cb 0.08 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.86 3guy s ALA 78 CO 0.01 -0.28 0.00 0.41 0.00 0.00 0.00 175.76 175.90 3guy n GLY 79 N 0.92 -0.97 3.48 0.00 0.00 -1.25 -4.79 105.19 102.58 3guy n GLY 79 Ca 0.01 -1.23 -0.11 0.00 0.00 0.00 0.00 46.02 44.69 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 -0.48 0.22 1.61 1.04 -1.26 -4.95 113.70 109.88 3guy s SER 80 Ca 0.00 0.11 0.06 0.00 0.48 0.00 0.00 55.95 56.59 3guy s SER 80 Cb 0.00 0.49 -0.04 0.00 0.10 0.00 0.00 66.02 66.57 3guy s SER 80 CO 0.00 -0.75 0.22 -0.83 0.98 0.00 0.00 173.24 172.86 3guy s GLY 81 N -2.36 1.46 -0.29 7.32 0.00 -1.26 -4.88 107.32 107.31 3guy s GLY 81 Ca 0.01 -1.31 -0.16 0.00 0.00 0.00 0.00 44.72 43.25 3guy s GLY 81 CO -0.08 -1.34 0.89 -0.47 0.00 0.00 0.00 173.10 172.10 3guy s TYR 82 N -2.00 -0.71 0.25 1.90 5.04 -1.26 -5.03 117.35 115.53 3guy s TYR 82 Ca 0.33 1.44 0.01 0.00 -2.44 0.00 0.00 57.07 56.40 3guy s TYR 82 Cb -0.09 0.43 -0.04 0.00 0.35 0.00 0.00 41.96 42.61 3guy s TYR 82 CO 0.26 -0.35 0.12 -0.06 -1.34 0.00 0.00 175.55 174.18 3guy s PHE 83 N 1.39 1.43 0.00 4.97 0.08 -1.26 -4.49 117.98 120.10 3guy s PHE 83 Ca -0.09 -1.29 0.00 0.00 0.12 0.00 0.00 56.93 55.67 3guy s PHE 83 Cb -0.04 -0.78 0.00 0.00 -0.57 0.00 0.00 43.02 41.63 3guy s PHE 83 CO -0.16 -0.48 0.00 0.41 -0.10 0.00 0.00 175.22 174.89 3guy n GLY 84 N -0.43 3.69 3.61 4.36 0.00 0.14 -4.87 105.19 111.69 3guy n GLY 84 Ca 0.01 -1.76 -0.41 0.00 0.00 0.00 0.00 46.02 43.86 3guy n GLY 84 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3guy n LEU 85 N 0.00 2.64 -0.31 0.99 4.77 -1.26 -4.38 117.00 119.44 3guy n LEU 85 Ca 0.00 1.01 -0.03 0.00 -0.03 0.00 0.00 56.01 56.96 3guy n LEU 85 Cb 0.00 -1.35 0.09 0.00 -2.33 0.00 0.00 43.42 39.83 3guy n LEU 85 CO 0.00 -1.56 1.22 0.25 -1.33 0.00 0.00 177.39 175.97 3guy h LEU 86 N 1.41 0.94 -1.13 2.23 5.85 -1.97 0.36 115.31 123.01 3guy h LEU 86 Ca -0.45 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.25 3guy h LEU 86 Cb 1.34 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 42.15 3guy h LEU 86 CO 0.56 0.67 0.00 0.06 -0.34 0.00 0.00 178.44 179.39 3guy h GLN 87 N 1.11 0.00 0.00 1.25 -0.00 -2.03 -2.16 115.11 113.28 3guy h GLN 87 Ca 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.97 3guy h GLN 87 Cb -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.40 3guy h GLN 87 CO -0.09 0.00 -0.89 0.39 -0.00 0.00 0.00 178.83 178.24 3guy n GLU 88 N -2.33 0.03 -2.48 0.06 -0.58 0.09 -4.95 120.64 110.48 3guy n GLU 88 Ca 0.00 -0.01 -0.39 0.00 -0.42 0.00 0.00 57.16 56.34 3guy n GLU 88 Cb 0.15 -1.51 -0.04 0.00 -0.57 0.00 0.00 31.44 29.47 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 -3.02 4.52 -0.13 3.49 -0.21 -0.81 -4.97 119.66 118.52 3guy s GLN 89 Ca 0.08 1.75 -0.27 0.00 0.02 0.00 0.00 55.36 56.94 3guy s GLN 89 Cb 0.16 -3.04 -0.02 0.00 1.00 0.00 0.00 33.01 31.12 3guy s GLN 89 CO 0.82 0.12 0.90 0.34 -2.12 0.00 0.00 175.29 175.35 3guy s ASP 90 N -1.03 7.10 0.53 5.90 2.15 -1.26 -4.97 116.67 125.09 3guy s ASP 90 Ca 0.48 1.35 0.25 0.00 0.43 0.00 0.00 52.55 55.06 3guy s ASP 90 Cb -0.30 -2.50 1.49 0.00 -0.30 0.00 0.00 42.92 41.31 3guy s ASP 90 CO 0.38 -0.40 2.12 -0.65 -0.17 0.00 0.00 175.17 176.46 3guy h PRO 91 N 7.17 0.00 -0.22 4.34 0.11 -1.97 -0.76 132.00 140.67 3guy h PRO 91 Ca -0.31 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.65 3guy h PRO 91 Cb 1.14 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 3guy h PRO 91 CO 0.84 0.09 -0.46 0.93 -0.21 0.00 0.00 178.00 179.19 3guy h GLU 92 N 0.00 0.56 -0.22 1.05 5.08 -1.99 -1.77 114.58 117.30 3guy h GLU 92 Ca -0.00 -0.31 -0.15 0.00 -1.00 0.00 0.00 59.36 57.90 3guy h GLU 92 Cb 0.21 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 3guy h GLU 92 CO 0.01 0.91 -0.48 1.96 -1.00 0.00 0.00 179.01 180.41 3guy h GLN 93 N 0.45 0.58 -0.61 2.33 1.08 -1.60 -2.14 115.11 115.20 3guy h GLN 93 Ca 0.03 -0.33 0.04 0.00 -1.45 0.00 0.00 58.65 56.94 3guy h GLN 93 Cb 0.98 0.02 -0.04 0.00 -0.05 0.00 0.00 27.48 28.38 3guy h GLN 93 CO 0.09 0.93 0.36 0.82 -0.95 0.00 0.00 178.83 180.08 3guy h ILE 94 N 0.46 1.03 -0.47 2.54 2.04 -1.10 -0.65 117.51 121.36 3guy h ILE 94 Ca 0.03 -0.24 -0.03 0.00 1.00 0.00 0.00 64.86 65.61 3guy h ILE 94 Cb 1.00 0.28 -0.02 0.00 -0.74 0.00 0.00 36.82 37.34 3guy h ILE 94 CO 0.09 0.13 0.16 -0.61 0.00 0.00 0.00 178.15 177.92 3guy h GLN 95 N 0.69 0.73 -1.00 2.37 5.75 -1.18 -0.90 115.11 121.56 3guy h GLN 95 Ca 0.26 -0.15 0.04 0.00 -0.15 0.00 0.00 58.65 58.65 3guy h GLN 95 Cb 0.08 -0.11 -0.06 0.00 1.07 0.00 0.00 27.48 28.46 3guy h GLN 95 CO -0.13 0.68 0.65 1.15 -2.65 0.00 0.00 178.83 178.53 3guy h THR 96 N 0.63 1.17 -0.35 2.39 2.02 -1.17 -0.70 112.91 116.89 3guy h THR 96 Ca 0.15 -0.43 0.01 0.00 0.77 0.00 0.00 66.41 66.91 3guy h THR 96 Cb 0.25 -0.20 -0.02 0.00 -1.74 0.00 0.00 68.15 66.44 3guy h THR 96 CO -0.01 0.23 0.22 0.25 0.37 0.00 0.00 175.52 176.59 3guy h LEU 97 N 1.26 0.38 -0.38 2.58 5.85 -0.39 -0.16 115.31 124.45 3guy h LEU 97 Ca 0.40 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 59.10 3guy h LEU 97 Cb 0.00 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 3guy h LEU 97 CO -0.12 0.28 0.19 0.40 -0.34 0.00 0.00 178.44 178.84 3guy h ILE 98 N 0.46 1.16 -0.34 4.05 2.04 -0.71 -1.54 117.51 122.63 3guy h ILE 98 Ca 0.13 -0.45 -0.00 0.00 1.00 0.00 0.00 64.86 65.54 3guy h ILE 98 Cb -0.03 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 36.79 3guy h ILE 98 CO -0.04 0.17 0.20 -0.33 0.00 0.00 0.00 178.15 178.15 3guy h GLU 99 N 0.48 0.47 0.00 2.37 5.08 -0.70 -0.29 114.58 122.00 3guy h GLU 99 Ca 0.13 -0.05 -0.12 0.00 -1.00 0.00 0.00 59.36 58.33 3guy h GLU 99 Cb 0.10 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 3guy h GLU 99 CO -0.02 0.37 -0.55 -0.91 -1.00 0.00 0.00 179.01 176.90 3guy h ASN 100 N 0.44 0.00 0.00 1.42 2.35 -0.92 -2.76 115.58 116.12 3guy h ASN 100 Ca 0.12 0.00 -0.24 0.00 -0.55 0.00 0.00 56.30 55.63 3guy h ASN 100 Cb 0.03 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.36 3guy h ASN 100 CO -0.02 0.55 -1.74 0.59 -1.65 0.00 0.00 177.43 175.16 3guy n ASN 101 N -3.68 1.73 -0.09 5.81 3.02 -0.59 -3.74 115.26 117.72 3guy n ASN 101 Ca -0.01 0.30 -0.16 0.00 -0.03 0.00 0.00 54.58 54.68 3guy n ASN 101 Cb 0.60 -0.69 -0.09 0.00 -0.61 0.00 0.00 39.78 38.98 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 -0.85 0.00 -0.92 3.41 5.85 -1.23 -2.99 115.31 118.58 3guy h LEU 102 Ca -0.36 -0.49 0.09 0.00 0.84 0.00 0.00 57.88 57.95 3guy h LEU 102 Cb 1.26 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 42.22 3guy h LEU 102 CO -0.22 1.21 0.57 0.28 -0.34 0.00 0.00 178.44 179.94 3guy h SER 103 N -1.00 0.86 -0.29 1.25 0.02 -1.52 -0.55 113.55 112.32 3guy h SER 103 Ca -0.20 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 3guy h SER 103 Cb 1.03 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.41 3guy h SER 103 CO -0.12 0.51 0.19 0.77 -1.14 0.00 0.00 176.83 177.04 3guy h SER 104 N 0.97 0.33 -0.40 3.07 4.64 -1.60 -1.13 113.55 119.43 3guy h SER 104 Ca 0.43 -0.02 -0.03 0.00 -0.47 0.00 0.00 61.79 61.70 3guy h SER 104 Cb 0.31 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 62.29 3guy h SER 104 CO -0.22 0.25 0.15 0.00 -0.87 0.00 0.00 176.83 176.15 3guy h ALA 105 N 1.10 0.53 0.07 5.18 0.00 -1.26 -1.38 119.26 123.50 3guy h ALA 105 Ca 0.10 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3guy h ALA 105 Cb -0.03 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.60 3guy h ALA 105 CO -0.02 0.14 -0.03 0.82 0.00 0.00 0.00 179.25 180.15 3guy h ILE 106 N 0.51 1.04 -0.26 0.00 2.04 -1.02 -0.33 117.51 119.49 3guy h ILE 106 Ca 0.13 -0.36 0.02 0.00 1.00 0.00 0.00 64.86 65.66 3guy h ILE 106 Cb 0.21 1.28 -0.03 0.00 -0.74 0.00 0.00 36.82 37.54 3guy h ILE 106 CO -0.01 0.09 0.10 0.78 0.00 0.00 0.00 178.15 179.11 3guy h ASN 107 N -0.25 0.12 0.02 1.72 2.35 -1.14 -0.13 115.58 118.27 3guy h ASN 107 Ca -0.01 0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.76 3guy h ASN 107 Cb 0.22 0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.59 3guy h ASN 107 CO 0.02 0.10 -0.01 0.58 -1.65 0.00 0.00 177.43 176.47 3guy h VAL 108 N 0.22 1.02 -0.27 2.81 2.07 -1.23 -1.58 116.25 119.29 3guy h VAL 108 Ca 0.11 -0.12 -0.14 0.00 0.82 0.00 0.00 66.70 67.37 3guy h VAL 108 Cb 0.07 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 3guy h VAL 108 CO -0.11 0.03 -0.40 0.25 0.02 0.00 0.00 177.57 177.37 3guy h LEU 109 N -0.08 0.67 -0.56 2.57 5.85 -0.93 -1.48 115.31 121.34 3guy h LEU 109 Ca -0.00 -0.30 -0.06 0.00 0.84 0.00 0.00 57.88 58.36 3guy h LEU 109 Cb 0.08 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 3guy h LEU 109 CO 0.01 0.99 0.14 -0.09 -0.34 0.00 0.00 178.44 179.15 3guy h ARG 110 N 0.52 0.90 -0.57 1.25 2.43 -0.94 -0.71 114.38 117.26 3guy h ARG 110 Ca 0.04 -0.22 -0.07 0.00 -0.81 0.00 0.00 59.98 58.92 3guy h ARG 110 Cb 0.92 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.33 3guy h ARG 110 CO 0.08 0.84 0.06 1.49 -1.51 0.00 0.00 179.97 180.94 3guy h GLU 111 N 0.81 0.93 -0.56 0.20 4.57 -1.00 0.47 114.58 120.01 3guy h GLU 111 Ca 0.18 -0.24 -0.11 0.00 -1.18 0.00 0.00 59.36 58.01 3guy h GLU 111 Cb 0.35 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.81 3guy h GLU 111 CO 0.00 0.89 -0.06 -0.07 -1.18 0.00 0.00 179.01 178.59 3guy h LEU 112 N 0.88 1.02 -0.22 1.64 3.38 -0.93 -1.50 115.31 119.57 3guy h LEU 112 Ca 0.17 -0.33 -0.11 0.00 0.09 0.00 0.00 57.88 57.70 3guy h LEU 112 Cb 0.43 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 3guy h LEU 112 CO 0.01 1.11 -0.28 0.58 0.09 0.00 0.00 178.44 179.96 3guy h VAL 113 N 0.91 1.32 -0.53 1.22 2.07 -0.82 0.87 116.25 121.29 3guy h VAL 113 Ca 0.15 -1.47 0.09 0.00 0.82 0.00 0.00 66.70 66.29 3guy h VAL 113 Cb 0.63 1.75 -0.08 0.00 -1.52 0.00 0.00 31.29 32.07 3guy h VAL 113 CO 0.04 0.46 0.10 0.11 0.02 0.00 0.00 177.57 178.30 3guy h LYS 114 N 0.28 0.23 0.12 1.57 1.57 -0.78 -2.77 116.57 116.78 3guy h LYS 114 Ca 0.03 -0.01 -0.34 0.00 -1.87 0.00 0.00 60.65 58.45 3guy h LYS 114 Cb 0.85 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.10 3guy h LYS 114 CO 0.07 0.15 -1.83 0.00 -0.57 0.00 0.00 179.45 177.26 3guy h ARG 115 N 0.23 0.25 0.00 3.15 3.08 -1.18 -3.43 114.38 116.49 3guy h ARG 115 Ca 0.27 -0.43 0.00 0.00 0.07 0.00 0.00 59.98 59.89 3guy h ARG 115 Cb 0.38 0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.59 3guy h ARG 115 CO -0.36 1.11 -0.11 0.66 -1.07 0.00 0.00 179.97 180.20 3guy n TYR 116 N -3.43 0.00 0.14 3.04 4.01 0.29 -4.82 117.16 116.39 3guy n TYR 116 Ca -0.26 -0.25 0.13 0.00 -0.16 0.00 0.00 57.90 57.36 3guy n TYR 116 Cb 1.05 -0.04 0.65 0.00 -0.31 0.00 0.00 39.34 40.69 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 0.03 -0.29 -0.72 2.10 -1.51 0.62 116.57 116.79 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 0.97 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 32.30 3guy h LYS 117 CO 0.00 0.02 0.00 -0.25 -2.00 0.00 0.00 179.45 177.22 3guy n ASP 118 N -4.48 1.58 -4.59 7.07 8.00 -1.26 -3.15 116.55 119.72 3guy n ASP 118 Ca 0.02 -1.98 -0.28 0.00 0.71 0.00 0.00 54.79 53.26 3guy n ASP 118 Cb 0.29 -0.19 -0.09 0.00 -0.02 0.00 0.00 41.12 41.11 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 -1.61 2.14 -0.18 -1.24 -1.52 0.21 -4.74 119.66 112.71 3guy s GLN 119 Ca 0.20 -1.12 -0.03 0.00 -1.95 0.00 0.00 55.36 52.46 3guy s GLN 119 Cb 0.11 -2.26 -0.09 0.00 -0.22 0.00 0.00 33.01 30.54 3guy s GLN 119 CO 0.14 0.47 1.82 -0.35 -0.25 0.00 0.00 175.29 177.12 3guy n PRO 120 N 0.35 1.03 -3.39 2.91 -0.04 -1.26 -2.64 135.00 131.95 3guy n PRO 120 Ca -0.12 -0.63 -0.38 0.00 -0.04 0.00 0.00 63.50 62.33 3guy n PRO 120 Cb 0.54 -1.88 -0.06 0.00 -0.04 0.00 0.00 33.50 32.06 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 2.60 5.12 -0.31 0.52 1.01 -1.26 -4.90 120.40 123.18 3guy s VAL 121 Ca 0.28 0.89 -0.15 0.00 0.00 0.00 0.00 61.98 63.00 3guy s VAL 121 Cb 0.12 -3.77 -0.02 0.00 0.00 0.00 0.00 36.38 32.71 3guy s VAL 121 CO -0.01 0.43 0.37 0.20 0.00 0.00 0.00 175.10 176.09 3guy s ASN 122 N -0.03 6.21 -0.35 3.32 0.01 -0.54 -1.43 114.94 122.14 3guy s ASN 122 Ca 0.24 0.01 -0.08 0.00 -0.71 0.00 0.00 52.86 52.32 3guy s ASN 122 Cb -0.16 -2.21 0.03 0.00 0.41 0.00 0.00 41.25 39.33 3guy s ASN 122 CO 0.11 -0.28 0.15 -0.69 -1.51 0.00 0.00 177.10 174.88 3guy s VAL 123 N 2.06 4.15 -0.39 1.60 1.01 0.74 -0.77 120.40 128.80 3guy s VAL 123 Ca 0.13 -0.97 -0.14 0.00 0.00 0.00 0.00 61.98 61.00 3guy s VAL 123 Cb -0.16 -3.32 0.01 0.00 0.00 0.00 0.00 36.38 32.92 3guy s VAL 123 CO 0.11 -0.18 0.28 -0.69 0.00 0.00 0.00 175.10 174.62 3guy s VAL 124 N 1.48 5.20 -0.39 2.92 1.01 0.60 0.12 120.40 131.35 3guy s VAL 124 Ca 0.00 -0.58 -0.11 0.00 0.00 0.00 0.00 61.98 61.30 3guy s VAL 124 Cb -0.19 -3.85 0.04 0.00 0.00 0.00 0.00 36.38 32.38 3guy s VAL 124 CO 0.04 -0.23 0.22 -0.04 0.00 0.00 0.00 175.10 175.09 3guy s MET 125 N 1.68 2.78 -0.18 2.72 -1.94 0.11 -0.91 119.30 123.56 3guy s MET 125 Ca 0.05 -1.17 -0.15 0.00 -1.71 0.00 0.00 55.69 52.71 3guy s MET 125 Cb -0.19 -3.76 -0.04 0.00 2.01 0.00 0.00 34.83 32.86 3guy s MET 125 CO 0.10 -0.76 0.37 0.42 -0.01 0.00 0.00 175.02 175.14 3guy s ILE 126 N 1.53 5.23 0.00 2.53 1.01 -0.54 -1.57 121.20 129.40 3guy s ILE 126 Ca 0.02 0.69 0.00 0.00 0.00 0.00 0.00 60.65 61.36 3guy s ILE 126 Cb -0.20 -3.71 0.00 0.00 0.01 0.00 0.00 42.46 38.56 3guy s ILE 126 CO 0.06 0.30 0.00 0.23 0.00 0.00 0.00 174.94 175.53 3guy n MET 127 N 4.09 0.00 -3.60 2.79 2.81 0.70 -4.76 117.12 119.15 3guy n MET 127 Ca -0.09 0.00 -0.05 0.00 -1.81 0.00 0.00 57.70 55.75 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 1.00 -0.17 0.62 7.83 0.15 -1.26 -4.52 113.70 117.35 3guy s SER 128 Ca 0.00 0.10 0.38 0.00 0.70 0.00 0.00 55.95 57.13 3guy s SER 128 Cb 0.00 0.15 2.05 0.00 -1.71 0.00 0.00 66.02 66.52 3guy s SER 128 CO 0.00 -0.21 2.15 0.71 1.20 0.00 0.00 173.24 177.09 3guy h THR 129 N 2.14 0.00 -0.09 6.45 1.35 -1.49 -0.34 112.91 120.93 3guy h THR 129 Ca -0.11 0.00 0.02 0.00 -0.55 0.00 0.00 66.41 65.77 3guy h THR 129 Cb 1.17 0.84 -0.00 0.00 -1.73 0.00 0.00 68.15 68.43 3guy h THR 129 CO 0.25 0.00 0.12 0.00 -0.25 0.00 0.00 175.52 175.64 3guy h ALA 130 N 1.82 1.55 0.00 6.62 0.00 -1.84 -1.96 119.26 125.46 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 0.17 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3guy h ALA 130 CO 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 179.25 179.08 3guy h ALA 131 N 1.83 1.00 0.00 0.00 0.00 -1.30 -3.33 119.26 117.46 3guy h ALA 131 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3guy h ALA 131 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3guy h ALA 131 CO -0.00 0.00 -1.47 1.04 0.00 0.00 0.00 179.25 178.82 3guy n GLN 132 N -3.08 0.67 -3.57 0.00 1.13 -0.74 -4.37 117.38 107.43 3guy n GLN 132 Ca 0.01 -0.10 -0.13 0.00 -1.94 0.00 0.00 57.00 54.83 3guy n GLN 132 Cb 0.30 -1.43 -0.05 0.00 0.11 0.00 0.00 30.24 29.18 3guy n GLN 132 CO 0.00 0.00 0.00 1.14 -1.44 0.00 0.00 177.06 176.76 3guy s GLN 133 N -3.11 1.07 0.52 -1.09 -2.07 -1.22 -5.16 119.66 108.60 3guy s GLN 133 Ca -0.01 -0.37 -0.12 0.00 -1.82 0.00 0.00 55.36 53.03 3guy s GLN 133 Cb 0.13 0.49 -0.06 0.00 -1.09 0.00 0.00 33.01 32.48 3guy s GLN 133 CO 0.79 -0.41 0.93 -1.25 -1.32 0.00 0.00 175.29 174.03 3guy s PRO 134 N -2.93 3.76 -0.10 9.60 0.04 -1.26 -4.70 135.00 139.42 3guy s PRO 134 Ca -0.03 0.71 -0.05 0.00 0.04 0.00 0.00 61.00 61.67 3guy s PRO 134 Cb -0.00 -2.20 0.04 0.00 0.04 0.00 0.00 34.50 32.38 3guy s PRO 134 CO -0.06 -0.30 0.22 0.15 0.04 0.00 0.00 177.00 177.06 3guy s LYS 135 N -4.42 0.19 0.47 4.56 1.02 -1.26 -5.10 119.74 115.18 3guy s LYS 135 Ca 0.55 0.48 -0.24 0.00 0.02 0.00 0.00 55.97 56.78 3guy s LYS 135 Cb -0.10 -0.12 -0.07 0.00 -0.52 0.00 0.00 37.83 37.02 3guy s LYS 135 CO 0.39 -0.16 1.31 0.00 -0.92 0.00 0.00 175.35 175.98 3guy s ALA 136 N 1.17 3.07 0.00 5.17 0.00 -1.26 -1.88 121.76 128.03 3guy s ALA 136 Ca -0.09 1.24 0.00 0.00 0.00 0.00 0.00 51.96 53.11 3guy s ALA 136 Cb -0.10 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.51 3guy s ALA 136 CO -0.07 -1.01 0.00 1.04 0.00 0.00 0.00 175.76 175.71 3guy n GLN 137 N -0.39 -1.06 -1.08 0.00 6.02 -1.26 -4.81 117.38 114.80 3guy n GLN 137 Ca 0.07 0.26 0.05 0.00 -0.01 0.00 0.00 57.00 57.37 3guy n GLN 137 Cb 0.45 -4.24 0.10 0.00 1.02 0.00 0.00 30.24 27.57 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 -0.67 0.70 -0.21 -1.09 1.02 -0.79 -0.68 120.64 118.91 3guy n GLU 138 Ca 0.00 -2.55 -0.01 0.00 -0.02 0.00 0.00 57.16 54.57 3guy n GLU 138 Cb 0.26 -0.72 0.10 0.00 -0.02 0.00 0.00 31.44 31.06 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 0.97 0.44 0.91 1.62 4.64 -1.82 0.14 113.55 120.45 3guy h SER 139 Ca -0.12 0.04 -0.18 0.00 -0.47 0.00 0.00 61.79 61.06 3guy h SER 139 Cb 1.49 -0.03 -0.03 0.00 -0.31 0.00 0.00 62.40 63.52 3guy h SER 139 CO 0.05 0.28 -0.86 0.71 -0.87 0.00 0.00 176.83 176.14 3guy h THR 140 N 0.58 1.59 -0.11 2.95 1.35 -1.92 -0.38 112.91 116.97 3guy h THR 140 Ca 0.29 -2.97 -0.03 0.00 -0.55 0.00 0.00 66.41 63.15 3guy h THR 140 Cb 0.24 2.62 -0.00 0.00 -1.73 0.00 0.00 68.15 69.28 3guy h THR 140 CO -0.21 0.84 -0.06 0.22 -0.25 0.00 0.00 175.52 176.05 3guy h TYR 141 N 0.00 0.28 -0.49 4.73 3.20 -1.67 -1.77 116.97 121.26 3guy h TYR 141 Ca -0.01 -0.07 0.10 0.00 3.14 0.00 0.00 58.73 61.89 3guy h TYR 141 Cb 1.55 -0.06 -0.09 0.00 1.54 0.00 0.00 36.73 39.67 3guy h TYR 141 CO 0.00 0.60 -0.06 0.00 -1.64 0.00 0.00 178.16 177.06 3guy h ALA 143 N 1.46 0.26 -0.10 0.00 0.00 -0.82 0.17 119.26 120.23 3guy h ALA 143 Ca 0.24 0.15 -0.16 0.00 0.00 0.00 0.00 54.91 55.14 3guy h ALA 143 Cb 0.37 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 3guy h ALA 143 CO -0.46 -0.45 -0.62 -0.39 0.00 0.00 0.00 179.25 177.33 3guy h VAL 144 N 0.00 1.37 -0.02 0.00 -1.51 -1.08 -1.63 116.25 113.38 3guy h VAL 144 Ca 0.19 -1.97 -0.20 0.00 -1.23 0.00 0.00 66.70 63.48 3guy h VAL 144 Cb 0.28 1.97 0.02 0.00 -2.13 0.00 0.00 31.29 31.43 3guy h VAL 144 CO -0.40 0.59 -0.77 0.11 -1.23 0.00 0.00 177.57 175.88 3guy h LYS 145 N 0.26 0.55 -0.63 5.19 1.79 -0.71 -2.48 116.57 120.54 3guy h LYS 145 Ca -0.01 -0.57 0.08 0.00 -2.18 0.00 0.00 60.65 57.97 3guy h LYS 145 Cb 1.15 0.16 -0.06 0.00 -1.58 0.00 0.00 32.23 31.89 3guy h LYS 145 CO 0.10 1.19 0.29 -1.49 -1.08 0.00 0.00 179.45 178.47 3guy h TRP 146 N 0.13 0.52 -0.26 -1.35 4.06 -0.70 -2.12 115.95 116.22 3guy h TRP 146 Ca -0.09 0.03 0.04 0.00 2.06 0.00 0.00 58.89 60.93 3guy h TRP 146 Cb 1.45 -0.14 -0.04 0.00 -1.00 0.00 0.00 29.16 29.43 3guy h TRP 146 CO 0.13 0.19 0.02 0.00 -3.56 0.00 0.00 178.44 175.21 3guy h ALA 147 N 1.39 0.25 -0.69 1.49 0.00 -1.22 0.12 119.26 120.59 3guy h ALA 147 Ca 0.30 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.27 3guy h ALA 147 Cb 0.31 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 3guy h ALA 147 CO -0.25 -0.40 0.41 0.28 0.00 0.00 0.00 179.25 179.28 3guy h VAL 148 N 0.10 1.20 -0.27 0.00 2.07 -1.26 -0.62 116.25 117.47 3guy h VAL 148 Ca 0.12 -0.44 -0.10 0.00 0.82 0.00 0.00 66.70 67.10 3guy h VAL 148 Cb 0.15 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 3guy h VAL 148 CO -0.19 0.21 -0.21 0.50 0.02 0.00 0.00 177.57 177.89 3guy h LYS 149 N 0.95 0.63 -0.72 1.57 3.64 -0.69 -0.78 116.57 121.17 3guy h LYS 149 Ca 0.25 -0.31 0.09 0.00 -1.27 0.00 0.00 60.65 59.41 3guy h LYS 149 Cb -0.03 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 31.72 3guy h LYS 149 CO -0.05 0.90 0.36 0.78 -2.27 0.00 0.00 179.45 179.18 3guy h GLY 150 N 0.36 1.08 0.75 5.01 0.00 -0.50 -1.30 103.07 108.47 3guy h GLY 150 Ca 0.05 -0.23 -0.00 0.00 0.00 0.00 0.00 47.33 47.15 3guy h GLY 150 CO 0.06 0.06 -0.25 -2.00 0.00 0.00 0.00 176.54 174.41 3guy h LEU 151 N 0.61 -0.66 -0.69 3.11 5.85 -0.80 -2.52 115.31 120.21 3guy h LEU 151 Ca 0.35 0.06 -0.13 0.00 0.84 0.00 0.00 57.88 59.00 3guy h LEU 151 Cb 0.37 0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 3guy h LEU 151 CO -0.27 -0.37 -0.40 0.16 -0.34 0.00 0.00 178.44 177.22 3guy h ILE 152 N -0.55 1.30 0.00 4.05 -0.00 -0.87 0.10 117.51 121.54 3guy h ILE 152 Ca -0.01 -1.56 -0.09 0.00 -0.00 0.00 0.00 64.86 63.19 3guy h ILE 152 Cb 0.50 1.56 -0.01 0.00 -0.00 0.00 0.00 36.82 38.86 3guy h ILE 152 CO -0.04 0.49 -0.44 -0.33 -0.00 0.00 0.00 178.15 177.83 3guy h GLU 153 N 0.45 0.00 0.05 0.16 4.39 -1.27 0.13 114.58 118.50 3guy h GLU 153 Ca 0.04 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.74 3guy h GLU 153 Cb 0.90 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.55 3guy h GLU 153 CO 0.08 0.44 -0.03 0.77 -1.16 0.00 0.00 179.01 179.11 3guy h SER 154 N 0.00 -0.06 -0.50 1.42 0.02 -1.07 -3.17 113.55 110.18 3guy h SER 154 Ca -0.00 -0.53 -0.02 0.00 -0.84 0.00 0.00 61.79 60.39 3guy h SER 154 Cb 0.81 0.02 -0.03 0.00 0.14 0.00 0.00 62.40 63.34 3guy h SER 154 CO 0.06 0.53 0.24 0.58 -1.14 0.00 0.00 176.83 177.10 3guy h VAL 155 N -0.69 1.19 -0.96 2.27 2.07 -0.84 -2.01 116.25 117.28 3guy h VAL 155 Ca -0.01 -0.57 0.13 0.00 0.82 0.00 0.00 66.70 67.07 3guy h VAL 155 Cb 0.59 0.52 -0.09 0.00 -1.52 0.00 0.00 31.29 30.80 3guy h VAL 155 CO 0.01 0.23 0.59 0.03 0.02 0.00 0.00 177.57 178.45 3guy h ARG 156 N 0.77 0.87 -0.89 1.57 3.08 -0.81 0.92 114.38 119.89 3guy h ARG 156 Ca 0.19 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.17 3guy h ARG 156 Cb 0.12 -0.20 -0.04 0.00 0.08 0.00 0.00 29.97 29.93 3guy h ARG 156 CO -0.02 0.58 0.51 -0.07 -1.07 0.00 0.00 179.97 179.89 3guy h LEU 157 N 0.90 1.08 -1.38 3.04 3.38 -1.34 -2.79 115.31 118.21 3guy h LEU 157 Ca 0.49 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 58.32 3guy h LEU 157 Cb 0.53 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 3guy h LEU 157 CO -0.29 0.85 -0.26 -0.33 0.09 0.00 0.00 178.44 178.50 3guy h GLU 158 N 1.23 0.00 -0.01 1.13 5.08 -0.85 -2.96 114.58 118.20 3guy h GLU 158 Ca 0.31 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.67 3guy h GLU 158 Cb -0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.24 3guy h GLU 158 CO -0.05 0.26 -0.02 1.28 -1.00 0.00 0.00 179.01 179.48 3guy n LEU 159 N -3.68 1.41 -4.63 1.33 4.77 0.16 -4.95 117.00 111.41 3guy n LEU 159 Ca -0.01 -0.46 -0.55 0.00 -0.03 0.00 0.00 56.01 54.96 3guy n LEU 159 Cb 0.38 -0.01 -0.07 0.00 -2.33 0.00 0.00 43.42 41.39 3guy n LEU 159 CO 0.34 0.24 1.05 1.17 -1.33 0.00 0.00 177.39 178.86 3guy n LYS 160 N 0.07 1.09 -1.95 3.23 4.81 -1.12 -0.82 118.16 123.47 3guy n LYS 160 Ca 0.19 0.40 -0.06 0.00 -0.87 0.00 0.00 58.31 57.96 3guy n LYS 160 Cb 0.35 -2.05 -0.01 0.00 0.02 0.00 0.00 35.03 33.34 3guy n LYS 160 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3guy n GLY 161 N 3.11 0.25 3.25 3.14 0.00 -1.26 -5.04 105.19 108.64 3guy n GLY 161 Ca 0.22 -0.66 -0.19 0.00 0.00 0.00 0.00 46.02 45.39 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 -3.98 1.05 0.41 1.61 1.02 -0.00 -5.05 119.74 114.79 3guy s LYS 162 Ca 0.00 -1.25 0.21 0.00 0.02 0.00 0.00 55.97 54.95 3guy s LYS 162 Cb 0.00 -0.98 0.81 0.00 -0.52 0.00 0.00 37.83 37.14 3guy s LYS 162 CO 0.00 0.19 1.79 -1.00 -0.92 0.00 0.00 175.35 175.42 3guy h PRO 163 N 3.54 0.00 -6.77 -1.68 0.13 -1.80 -3.43 132.00 121.99 3guy h PRO 163 Ca -0.40 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.20 3guy h PRO 163 Cb 1.20 0.00 0.05 0.00 0.13 0.00 0.00 31.00 32.37 3guy h PRO 163 CO 0.50 0.31 0.64 1.41 -0.23 0.00 0.00 178.00 180.63 3guy s MET 164 N -3.70 4.39 -0.01 0.86 -2.45 -1.08 -4.26 119.30 113.04 3guy s MET 164 Ca -0.00 2.11 0.05 0.00 -1.25 0.00 0.00 55.69 56.60 3guy s MET 164 Cb 0.11 -3.14 -0.01 0.00 1.25 0.00 0.00 34.83 33.04 3guy s MET 164 CO 0.67 -0.20 -0.16 0.15 1.05 0.00 0.00 175.02 176.52 3guy s LYS 165 N -0.84 1.31 -0.21 4.11 1.02 -0.51 -4.95 119.74 119.66 3guy s LYS 165 Ca 0.53 -0.59 -0.08 0.00 0.02 0.00 0.00 55.97 55.85 3guy s LYS 165 Cb -0.38 -1.27 -0.04 0.00 -0.52 0.00 0.00 37.83 35.63 3guy s LYS 165 CO 0.44 0.35 0.08 0.42 -0.92 0.00 0.00 175.35 175.71 3guy s ILE 166 N -0.40 4.71 -0.17 2.17 1.01 -1.26 -0.18 121.20 127.07 3guy s ILE 166 Ca 0.06 -0.05 -0.05 0.00 0.00 0.00 0.00 60.65 60.61 3guy s ILE 166 Cb -0.06 -3.15 -0.03 0.00 0.01 0.00 0.00 42.46 39.22 3guy s ILE 166 CO -0.01 0.40 -0.00 -0.63 0.00 0.00 0.00 174.94 174.71 3guy s ILE 167 N 0.85 4.15 -0.18 2.92 -1.09 0.12 -4.92 121.20 123.06 3guy s ILE 167 Ca 0.04 -0.26 -0.06 0.00 -2.23 0.00 0.00 60.65 58.14 3guy s ILE 167 Cb -0.14 -2.85 -0.04 0.00 -1.58 0.00 0.00 42.46 37.86 3guy s ILE 167 CO 0.02 0.47 0.03 0.00 -1.23 0.00 0.00 174.94 174.24 3guy s ALA 168 N 0.51 3.26 -0.06 9.38 0.00 -0.42 0.07 121.76 134.51 3guy s ALA 168 Ca -0.01 -0.80 0.04 0.00 0.00 0.00 0.00 51.96 51.19 3guy s ALA 168 Cb -0.14 -1.83 0.00 0.00 0.00 0.00 0.00 23.12 21.15 3guy s ALA 168 CO 0.02 0.13 -0.18 0.08 0.00 0.00 0.00 175.76 175.81 3guy s VAL 169 N 0.48 1.50 -0.53 0.00 1.01 -0.61 -1.15 120.40 121.10 3guy s VAL 169 Ca 0.01 -0.73 0.04 0.00 0.00 0.00 0.00 61.98 61.30 3guy s VAL 169 Cb -0.13 -1.30 0.15 0.00 0.00 0.00 0.00 36.38 35.10 3guy s VAL 169 CO 0.01 0.43 0.35 -0.31 0.00 0.00 0.00 175.10 175.58 3guy s TYR 170 N 0.21 2.40 0.22 5.22 2.02 0.33 -0.21 117.35 127.54 3guy s TYR 170 Ca -0.08 -2.76 -0.30 0.00 -0.37 0.00 0.00 57.07 53.56 3guy s TYR 170 Cb -0.14 -2.01 -0.08 0.00 -0.40 0.00 0.00 41.96 39.33 3guy s TYR 170 CO 0.04 -0.71 1.05 -2.14 -1.57 0.00 0.00 175.55 172.22 3guy s PRO 171 N -0.36 4.68 0.00 -1.71 0.02 -1.26 -2.12 135.00 134.25 3guy s PRO 171 Ca 0.23 1.68 0.06 0.00 0.02 0.00 0.00 61.00 62.99 3guy s PRO 171 Cb -0.12 -3.25 -0.02 0.00 0.02 0.00 0.00 34.50 31.13 3guy s PRO 171 CO -0.10 0.23 -0.19 0.20 -0.33 0.00 0.00 177.00 176.82 3guy s GLY 172 N -0.62 0.96 -0.47 0.52 0.00 0.12 -1.69 107.32 106.13 3guy s GLY 172 Ca 0.46 -0.87 -0.01 0.00 0.00 0.00 0.00 44.72 44.30 3guy s GLY 172 CO 0.36 -0.75 0.08 0.61 0.00 0.00 0.00 173.10 173.40 3guy n GLY 173 N 2.40 0.23 3.22 0.20 0.00 -1.26 -3.56 105.19 106.42 3guy n GLY 173 Ca -0.16 -0.59 -0.43 0.00 0.00 0.00 0.00 46.02 44.84 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 -1.61 3.52 0.26 1.61 2.81 -1.26 0.52 117.12 122.98 3guy n MET 174 Ca -0.05 -3.80 0.08 0.00 -1.81 0.00 0.00 57.70 52.12 3guy n MET 174 Cb 0.54 -2.95 0.44 0.00 -0.71 0.00 0.00 33.22 30.55 3guy n MET 174 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 3guy h PHE 191 N 6.52 0.00 -2.98 2.03 -0.00 -2.01 -3.47 116.94 117.03 3guy h PHE 191 Ca 0.33 0.00 -0.53 0.00 -0.00 0.00 0.00 57.97 57.77 3guy h PHE 191 Cb 0.77 0.00 0.02 0.00 -0.00 0.00 0.00 35.95 36.74 3guy h PHE 191 CO 1.13 0.00 0.75 1.41 -0.00 0.00 0.00 178.31 181.60 3guy s MET 192 N -3.70 4.31 0.31 6.09 0.00 0.18 -4.99 119.30 121.51 3guy s MET 192 Ca -0.02 2.04 -0.12 0.00 0.00 0.00 0.00 55.69 57.59 3guy s MET 192 Cb 0.05 -3.35 -0.08 0.00 0.00 0.00 0.00 34.83 31.45 3guy s MET 192 CO 0.15 -0.47 0.69 -1.54 0.00 0.00 0.00 175.02 173.84 3guy s SER 193 N 1.34 6.68 0.41 1.11 1.04 -1.26 -4.93 113.70 118.09 3guy s SER 193 Ca 0.64 1.14 0.17 0.00 0.48 0.00 0.00 55.95 58.39 3guy s SER 193 Cb -0.35 -2.32 1.07 0.00 0.10 0.00 0.00 66.02 64.52 3guy s SER 193 CO 0.29 -0.20 1.85 0.00 0.98 0.00 0.00 173.24 176.16 3guy h ALA 194 N 2.14 2.18 -0.39 5.32 0.00 -1.92 -1.11 119.26 125.47 3guy h ALA 194 Ca -0.47 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.42 3guy h ALA 194 Cb 1.18 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 3guy h ALA 194 CO 0.66 -0.48 0.11 1.49 0.00 0.00 0.00 179.25 181.04 3guy h GLU 195 N 0.43 0.62 0.23 0.00 4.81 -1.93 -0.10 114.58 118.63 3guy h GLU 195 Ca 0.48 -0.14 -0.31 0.00 -0.13 0.00 0.00 59.36 59.26 3guy h GLU 195 Cb 1.17 -0.09 0.04 0.00 0.63 0.00 0.00 28.75 30.50 3guy h GLU 195 CO -0.19 0.63 -1.37 -0.44 -0.73 0.00 0.00 179.01 176.91 3guy h ASP 196 N 0.49 0.81 -0.44 1.04 3.32 -1.70 -1.40 116.42 118.55 3guy h ASP 196 Ca 0.13 -0.91 0.09 0.00 0.02 0.00 0.00 57.03 56.35 3guy h ASP 196 Cb 0.27 -0.26 -0.09 0.00 0.22 0.00 0.00 39.33 39.47 3guy h ASP 196 CO -0.00 1.66 -0.14 0.00 -1.72 0.00 0.00 179.24 179.04 3guy h ALA 197 N 0.16 0.24 -0.54 3.45 0.00 -1.32 -0.99 119.26 120.26 3guy h ALA 197 Ca -0.23 0.17 0.11 0.00 0.00 0.00 0.00 54.91 54.95 3guy h ALA 197 Cb 2.07 0.38 -0.10 0.00 0.00 0.00 0.00 17.79 20.15 3guy h ALA 197 CO 0.26 -0.48 -0.06 0.00 0.00 0.00 0.00 179.25 178.97 3guy h ALA 198 N 1.37 0.45 -0.47 0.00 0.00 -0.96 -0.61 119.26 119.03 3guy h ALA 198 Ca 0.21 0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.30 3guy h ALA 198 Cb 0.36 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 3guy h ALA 198 CO -0.47 -0.41 0.28 -0.07 0.00 0.00 0.00 179.25 178.57 3guy h LEU 199 N 0.06 0.56 -0.14 0.00 3.38 -0.19 0.14 115.31 119.12 3guy h LEU 199 Ca 0.27 -0.06 -0.18 0.00 0.09 0.00 0.00 57.88 58.00 3guy h LEU 199 Cb 0.42 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 41.03 3guy h LEU 199 CO -0.50 0.46 -0.62 0.24 0.09 0.00 0.00 178.44 178.11 3guy h MET 200 N 0.62 0.67 0.54 1.13 2.86 -1.04 0.43 114.93 120.14 3guy h MET 200 Ca 0.17 -0.53 -0.02 0.00 -2.06 0.00 0.00 59.70 57.26 3guy h MET 200 Cb 0.00 0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.76 3guy h MET 200 CO -0.03 1.15 -0.33 0.82 1.06 0.00 0.00 176.91 179.58 3guy h ILE 201 N 0.35 0.32 -0.79 -1.22 2.04 -1.06 0.38 117.51 117.53 3guy h ILE 201 Ca -0.04 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.87 3guy h ILE 201 Cb 1.25 0.32 -0.05 0.00 -0.74 0.00 0.00 36.82 37.60 3guy h ILE 201 CO 0.13 0.00 0.49 -0.74 0.00 0.00 0.00 178.15 178.03 3guy h HIS 202 N -0.82 0.91 -0.79 1.37 2.76 -0.68 -1.71 115.15 116.18 3guy h HIS 202 Ca -0.06 0.03 0.08 0.00 -2.20 0.00 0.00 60.37 58.22 3guy h HIS 202 Cb 0.67 -0.29 -0.07 0.00 1.55 0.00 0.00 27.41 29.27 3guy h HIS 202 CO -0.10 0.49 0.45 0.78 -1.30 0.00 0.00 177.93 178.25 3guy h GLY 203 N 0.92 1.21 1.53 5.26 0.00 0.08 -3.28 103.07 108.79 3guy h GLY 203 Ca 0.33 -0.31 -0.27 0.00 0.00 0.00 0.00 47.33 47.08 3guy h GLY 203 CO -0.14 0.15 -1.33 0.00 0.00 0.00 0.00 176.54 175.22 3guy h ALA 204 N 1.43 0.31 -2.74 3.60 0.00 0.64 -3.46 119.26 119.04 3guy h ALA 204 Ca 0.37 -1.04 -0.53 0.00 0.00 0.00 0.00 54.91 53.72 3guy h ALA 204 Cb 0.30 0.11 0.06 0.00 0.00 0.00 0.00 17.79 18.26 3guy h ALA 204 CO -0.23 1.18 0.78 -0.51 0.00 0.00 0.00 179.25 180.47 3guy s LEU 205 N -6.84 4.38 -0.12 0.00 1.43 -0.91 -4.83 118.68 111.79 3guy s LEU 205 Ca -0.04 2.68 -0.30 0.00 -1.03 0.00 0.00 54.13 55.43 3guy s LEU 205 Cb 0.08 -3.62 0.10 0.00 0.03 0.00 0.00 46.19 42.78 3guy s LEU 205 CO 0.85 -0.73 0.87 0.00 0.23 0.00 0.00 176.35 177.57 3guy s ALA 206 N 0.10 -1.87 -0.47 4.21 0.00 -1.26 -5.00 121.76 117.47 3guy s ALA 206 Ca 0.60 1.50 0.09 0.00 0.00 0.00 0.00 51.96 54.15 3guy s ALA 206 Cb -0.42 -0.45 0.36 0.00 0.00 0.00 0.00 23.12 22.60 3guy s ALA 206 CO 0.42 -0.33 0.88 0.09 0.00 0.00 0.00 175.76 176.83 3guy n ASN 207 N 0.87 2.93 -4.64 0.00 3.02 -1.26 -1.98 115.26 114.20 3guy n ASN 207 Ca -0.14 -3.37 -0.42 0.00 -0.03 0.00 0.00 54.58 50.63 3guy n ASN 207 Cb 0.57 -0.57 -0.04 0.00 -0.61 0.00 0.00 39.78 39.13 3guy n ASN 207 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3guy s ILE 208 N -3.72 4.80 0.00 2.41 -1.09 -1.06 -4.82 121.20 117.72 3guy s ILE 208 Ca 0.44 1.58 0.00 0.00 -2.23 0.00 0.00 60.65 60.44 3guy s ILE 208 Cb 0.33 -4.15 0.00 0.00 -1.58 0.00 0.00 42.46 37.06 3guy s ILE 208 CO -0.11 -0.12 0.00 0.61 -1.23 0.00 0.00 174.94 174.09 3guy n GLY 209 N 3.76 1.28 0.51 6.18 0.00 -1.26 -2.50 105.19 113.16 3guy n GLY 209 Ca 0.06 -0.66 0.02 0.00 0.00 0.00 0.00 46.02 45.44 3guy n GLY 209 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3guy n ASN 210 N 4.14 1.35 -4.04 1.61 4.13 -1.26 -4.94 115.26 116.26 3guy n ASN 210 Ca 0.00 -2.09 -0.13 0.00 1.68 0.00 0.00 54.58 54.04 3guy n ASN 210 Cb 0.00 -0.30 -0.09 0.00 -1.54 0.00 0.00 39.78 37.85 3guy n ASN 210 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 3guy s GLY 211 N -0.62 1.50 0.07 7.41 0.00 -1.04 -5.16 107.32 109.48 3guy s GLY 211 Ca 0.11 -1.69 -0.15 0.00 0.00 0.00 0.00 44.72 42.99 3guy s GLY 211 CO 0.05 -1.34 0.35 -2.52 0.00 0.00 0.00 173.10 169.65 3guy s TYR 212 N -4.02 -0.15 -0.41 1.90 -0.85 -1.26 -2.56 117.35 110.01 3guy s TYR 212 Ca 0.38 -0.05 -0.28 0.00 -0.52 0.00 0.00 57.07 56.60 3guy s TYR 212 Cb 0.06 0.17 0.02 0.00 0.38 0.00 0.00 41.96 42.58 3guy s TYR 212 CO 0.14 -0.59 1.07 0.08 -1.52 0.00 0.00 175.55 174.73 3guy s VAL 213 N -3.08 4.39 -0.13 -3.49 1.01 -0.84 -4.91 120.40 113.34 3guy s VAL 213 Ca -0.01 1.36 0.19 0.00 0.00 0.00 0.00 61.98 63.52 3guy s VAL 213 Cb 0.01 -4.49 -0.17 0.00 0.00 0.00 0.00 36.38 31.73 3guy s VAL 213 CO -0.07 -0.74 0.67 -1.54 0.00 0.00 0.00 175.10 173.42 3guy n SER 214 N 7.30 0.56 -3.71 3.32 3.41 -1.26 -4.74 113.62 118.50 3guy n SER 214 Ca 0.11 0.24 -0.11 0.00 -0.26 0.00 0.00 58.87 58.84 3guy n SER 214 Cb 0.48 0.69 -0.10 0.00 -0.26 0.00 0.00 64.21 65.01 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 -5.43 -0.49 -0.03 4.04 1.01 -1.26 -1.31 116.67 113.21 3guy s ASP 215 Ca -0.05 0.89 0.01 0.00 0.71 0.00 0.00 52.55 54.11 3guy s ASP 215 Cb 0.09 0.82 0.02 0.00 1.01 0.00 0.00 42.92 44.86 3guy s ASP 215 CO 0.83 -0.18 -0.03 -0.63 0.21 0.00 0.00 175.17 175.37 3guy s ILE 216 N 0.94 0.37 -0.12 0.77 1.01 -0.30 -4.99 121.20 118.88 3guy s ILE 216 Ca -0.06 -0.07 0.01 0.00 0.00 0.00 0.00 60.65 60.53 3guy s ILE 216 Cb -0.06 -0.40 -0.01 0.00 0.01 0.00 0.00 42.46 42.00 3guy s ILE 216 CO -0.08 0.17 -0.17 -0.89 0.00 0.00 0.00 174.94 173.97 3guy s THR 217 N 0.69 2.70 -0.13 2.92 2.01 -1.26 -0.51 115.64 122.06 3guy s THR 217 Ca -0.08 -0.79 0.02 0.00 0.31 0.00 0.00 61.69 61.15 3guy s THR 217 Cb -0.11 -2.11 0.01 0.00 0.01 0.00 0.00 72.50 70.31 3guy s THR 217 CO -0.01 0.53 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.59 3guy s VAL 218 N 0.39 1.80 0.26 3.82 1.01 -0.90 -4.97 120.40 121.81 3guy s VAL 218 Ca -0.13 -0.81 0.06 0.00 0.00 0.00 0.00 61.98 61.09 3guy s VAL 218 Cb -0.17 -1.62 -0.06 0.00 0.00 0.00 0.00 36.38 34.54 3guy s VAL 218 CO 0.06 0.50 -0.05 0.20 0.00 0.00 0.00 175.10 175.81 3guy s ASN 219 N 1.00 2.51 0.18 3.32 0.01 -1.26 0.13 114.94 120.83 3guy s ASN 219 Ca -0.04 -1.19 -0.22 0.00 -0.71 0.00 0.00 52.86 50.70 3guy s ASN 219 Cb -0.15 -0.12 -0.08 0.00 0.41 0.00 0.00 41.25 41.31 3guy s ASN 219 CO -0.04 -0.38 0.73 0.00 -1.51 0.00 0.00 177.10 175.90 3guy s ARG 220 N -3.76 4.37 0.00 -0.60 1.70 -1.23 -4.97 118.95 114.46 3guy s ARG 220 Ca 0.29 0.96 0.16 0.00 -0.47 0.00 0.00 55.73 56.67 3guy s ARG 220 Cb 0.04 -3.07 0.97 0.00 -0.57 0.00 0.00 34.95 32.32 3guy s ARG 220 CO 0.11 0.49 1.38 0.39 -1.08 0.00 0.00 175.30 176.59