#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tou n ASP 2 N 0.00 0.00 0.00 0.00 5.75 -1.26 -4.84 116.55 116.20 1tou n ASP 2 Ca 0.00 -0.75 0.06 0.00 -0.01 0.00 0.00 54.79 54.09 1tou n ASP 2 Cb 0.00 0.00 0.38 0.00 -1.03 0.00 0.00 41.12 40.47 1tou n ASP 2 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1tou n ALA 3 N 0.00 2.36 0.58 2.12 0.00 -1.26 -2.64 120.51 121.68 1tou n ALA 3 Ca 0.00 -0.08 0.10 0.00 0.00 0.00 0.00 53.44 53.46 1tou n ALA 3 Cb 0.19 -1.21 -0.14 0.00 0.00 0.00 0.00 19.45 18.29 1tou n ALA 3 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1tou n PHE 4 N -0.76 0.00 -1.75 0.00 3.72 -1.26 -4.97 117.46 112.44 1tou n PHE 4 Ca 0.10 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.08 1tou n PHE 4 Cb 0.04 -0.21 -0.03 0.00 -0.94 0.00 0.00 39.48 38.35 1tou n PHE 4 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1tou s VAL 5 N -3.21 2.06 -5.00 -4.37 1.01 -1.08 -4.63 120.40 105.18 1tou s VAL 5 Ca 0.01 0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.04 1tou s VAL 5 Cb 0.15 -3.03 0.00 0.00 0.00 0.00 0.00 36.38 33.50 1tou s VAL 5 CO 0.89 0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.60 1tou n GLY 6 N 3.48 -0.56 3.45 4.51 0.00 -0.65 -4.97 105.19 110.45 1tou n GLY 6 Ca 0.14 -1.60 -0.33 0.00 0.00 0.00 0.00 46.02 44.22 1tou n GLY 6 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1tou s THR 7 N -2.03 3.54 -0.04 2.61 2.01 -1.26 -1.27 115.64 119.19 1tou s THR 7 Ca 0.00 -0.49 0.04 0.00 0.31 0.00 0.00 61.69 61.55 1tou s THR 7 Cb 0.00 -2.52 -0.00 0.00 0.01 0.00 0.00 72.50 69.99 1tou s THR 7 CO 0.00 0.51 -0.15 0.26 -0.69 0.00 0.00 174.62 174.55 1tou s TRP 8 N 0.31 1.53 -0.13 4.92 0.52 0.69 -1.33 118.94 125.45 1tou s TRP 8 Ca -0.06 -0.43 -0.01 0.00 0.02 0.00 0.00 56.10 55.62 1tou s TRP 8 Cb -0.15 -1.04 -0.02 0.00 -1.15 0.00 0.00 33.47 31.11 1tou s TRP 8 CO 0.04 -0.15 -0.10 0.21 0.02 0.00 0.00 176.95 176.97 1tou s LYS 9 N 0.08 3.38 0.09 4.98 2.20 0.60 0.08 119.74 131.16 1tou s LYS 9 Ca -0.04 -0.63 -0.31 0.00 -0.36 0.00 0.00 55.97 54.63 1tou s LYS 9 Cb -0.11 -2.69 -0.09 0.00 -1.51 0.00 0.00 37.83 33.43 1tou s LYS 9 CO 0.02 0.27 1.69 -1.17 -0.36 0.00 0.00 175.35 175.80 1tou s LEU 10 N 0.22 4.37 -0.02 5.43 2.96 -0.58 -1.58 118.68 129.48 1tou s LEU 10 Ca -0.07 2.58 0.05 0.00 -0.22 0.00 0.00 54.13 56.47 1tou s LEU 10 Cb -0.15 -3.57 -0.07 0.00 0.50 0.00 0.00 46.19 42.90 1tou s LEU 10 CO 0.04 -0.91 0.08 1.33 -1.32 0.00 0.00 176.35 175.57 1tou n VAL 11 N 4.64 0.12 -3.75 1.68 0.24 0.25 -4.87 118.33 116.63 1tou n VAL 11 Ca 0.16 -0.15 -0.12 0.00 -2.04 0.00 0.00 64.34 62.19 1tou n VAL 11 Cb 0.40 -0.06 -0.08 0.00 -1.47 0.00 0.00 33.84 32.63 1tou n VAL 11 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1tou s SER 12 N -2.95 -0.16 -0.07 -1.34 1.04 -1.05 -5.00 113.70 104.17 1tou s SER 12 Ca -0.02 -0.05 -0.04 0.00 0.48 0.00 0.00 55.95 56.32 1tou s SER 12 Cb 0.03 0.34 0.03 0.00 0.10 0.00 0.00 66.02 66.52 1tou s SER 12 CO 0.21 -0.54 0.15 -0.55 0.98 0.00 0.00 173.24 173.49 1tou s SER 13 N -1.72 -0.14 -0.08 7.02 0.15 -1.26 -1.34 113.70 116.34 1tou s SER 13 Ca -0.09 0.32 0.02 0.00 0.70 0.00 0.00 55.95 56.90 1tou s SER 13 Cb -0.03 0.24 0.01 0.00 -1.71 0.00 0.00 66.02 64.53 1tou s SER 13 CO 0.00 -0.12 -0.15 -1.61 1.20 0.00 0.00 173.24 172.56 1tou s GLU 14 N 0.88 2.08 -0.90 5.44 2.02 0.13 -4.82 118.70 123.54 1tou s GLU 14 Ca -0.07 -0.54 0.00 0.00 0.02 0.00 0.00 54.97 54.39 1tou s GLU 14 Cb -0.08 -1.69 0.00 0.00 0.10 0.00 0.00 34.13 32.46 1tou s GLU 14 CO -0.05 0.04 0.00 0.09 0.02 0.00 0.00 175.26 175.36 1tou n ASN 15 N 3.84 -4.44 -0.23 -0.19 3.02 -1.26 -1.76 115.26 114.23 1tou n ASN 15 Ca -0.21 0.21 -0.08 0.00 -0.03 0.00 0.00 54.58 54.47 1tou n ASN 15 Cb 0.52 -2.68 0.04 0.00 -0.61 0.00 0.00 39.78 37.04 1tou n ASN 15 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1tou h PHE 16 N 0.00 1.12 -0.20 3.10 3.57 -1.91 -0.32 116.94 122.30 1tou h PHE 16 Ca -0.17 -0.14 0.00 0.00 3.53 0.00 0.00 57.97 61.19 1tou h PHE 16 Cb 0.69 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 39.11 1tou h PHE 16 CO 0.33 0.93 0.13 0.22 -2.23 0.00 0.00 178.31 177.69 1tou h ASP 17 N 0.98 0.22 -0.62 0.41 3.58 -1.94 0.63 116.42 119.68 1tou h ASP 17 Ca 0.20 -0.01 0.04 0.00 0.42 0.00 0.00 57.03 57.69 1tou h ASP 17 Cb 0.39 -0.06 -0.05 0.00 1.72 0.00 0.00 39.33 41.33 1tou h ASP 17 CO 0.01 0.16 0.36 0.44 -2.88 0.00 0.00 179.24 177.33 1tou h ASP 18 N 0.27 0.56 0.08 2.28 3.32 -1.92 0.15 116.42 121.16 1tou h ASP 18 Ca 0.07 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.14 1tou h ASP 18 Cb -0.03 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.42 1tou h ASP 18 CO -0.02 0.38 -0.04 0.22 -1.72 0.00 0.00 179.24 178.06 1tou h TYR 19 N 0.69 -0.10 -0.61 4.55 3.20 -0.69 -1.07 116.97 122.95 1tou h TYR 19 Ca 0.27 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.18 1tou h TYR 19 Cb 0.10 0.03 -0.05 0.00 1.54 0.00 0.00 36.73 38.36 1tou h TYR 19 CO -0.07 -0.04 0.35 0.52 -1.64 0.00 0.00 178.16 177.28 1tou h MET 20 N -0.13 0.65 -0.30 1.82 2.86 -0.47 -0.88 114.93 118.47 1tou h MET 20 Ca -0.01 -0.04 0.06 0.00 -2.06 0.00 0.00 59.70 57.65 1tou h MET 20 Cb 0.10 -0.15 -0.05 0.00 0.06 0.00 0.00 31.60 31.57 1tou h MET 20 CO 0.02 0.43 -0.03 -0.22 1.06 0.00 0.00 176.91 178.17 1tou h LYS 21 N 0.67 0.05 -0.89 1.72 3.64 -0.52 -0.69 116.57 120.56 1tou h LYS 21 Ca 0.26 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.63 1tou h LYS 21 Cb 0.10 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.86 1tou h LYS 21 CO -0.14 0.04 0.53 1.49 -2.27 0.00 0.00 179.45 179.10 1tou h GLU 22 N 0.05 1.21 0.00 1.90 4.57 -0.66 -1.26 114.58 120.40 1tou h GLU 22 Ca 0.14 -0.11 -0.03 0.00 -1.18 0.00 0.00 59.36 58.18 1tou h GLU 22 Cb 0.20 -0.25 -0.00 0.00 -0.16 0.00 0.00 28.75 28.54 1tou h GLU 22 CO -0.27 0.85 -0.16 0.28 -1.18 0.00 0.00 179.01 178.53 1tou h VAL 23 N 1.23 0.84 0.00 0.32 2.07 -0.86 -3.47 116.25 116.38 1tou h VAL 23 Ca 0.32 -0.62 0.00 0.00 0.82 0.00 0.00 66.70 67.22 1tou h VAL 23 Cb -0.05 1.36 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 1tou h VAL 23 CO -0.06 0.16 0.00 0.61 0.02 0.00 0.00 177.57 178.30 1tou n GLY 24 N -0.81 1.35 3.71 2.17 0.00 -0.47 -5.09 105.19 106.05 1tou n GLY 24 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 1tou n GLY 24 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1tou s VAL 25 N -2.00 3.13 0.76 1.61 1.01 -0.33 -4.99 120.40 119.58 1tou s VAL 25 Ca 0.00 0.75 -0.14 0.00 0.00 0.00 0.00 61.98 62.58 1tou s VAL 25 Cb 0.00 -3.48 0.05 0.00 0.00 0.00 0.00 36.38 32.96 1tou s VAL 25 CO 0.00 0.04 1.20 -0.83 0.00 0.00 0.00 175.10 175.50 1tou s GLY 26 N 1.47 2.24 0.19 4.51 0.00 -1.26 -4.55 107.32 109.91 1tou s GLY 26 Ca 0.68 0.82 -0.12 0.00 0.00 0.00 0.00 44.72 46.10 1tou s GLY 26 CO 0.30 1.23 1.81 -2.75 0.00 0.00 0.00 173.10 173.69 1tou h PHE 27 N -0.53 0.61 -0.92 1.90 3.57 -1.99 -2.01 116.94 117.57 1tou h PHE 27 Ca -0.47 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.04 1tou h PHE 27 Cb 1.29 -0.19 -0.04 0.00 2.79 0.00 0.00 35.95 39.80 1tou h PHE 27 CO 0.48 0.32 0.53 0.00 -2.23 0.00 0.00 178.31 177.41 1tou h ALA 28 N 1.28 1.18 -0.04 2.41 0.00 -2.00 -0.35 119.26 121.74 1tou h ALA 28 Ca 0.24 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1tou h ALA 28 Cb 0.09 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 1tou h ALA 28 CO -0.13 0.67 0.00 1.15 0.00 0.00 0.00 179.25 180.94 1tou h THR 29 N 1.29 1.24 -0.81 0.00 2.02 -1.88 -2.89 112.91 111.87 1tou h THR 29 Ca 0.33 -0.72 0.16 0.00 0.77 0.00 0.00 66.41 66.94 1tou h THR 29 Cb -0.00 1.65 -0.10 0.00 -1.74 0.00 0.00 68.15 67.95 1tou h THR 29 CO -0.06 0.20 0.36 0.03 0.37 0.00 0.00 175.52 176.42 1tou h ARG 30 N -0.21 0.48 -0.26 6.66 3.08 -0.91 0.39 114.38 123.61 1tou h ARG 30 Ca 0.01 -0.03 0.03 0.00 0.07 0.00 0.00 59.98 60.06 1tou h ARG 30 Cb 0.31 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.22 1tou h ARG 30 CO 0.00 0.32 0.08 -0.22 -1.07 0.00 0.00 179.97 179.08 1tou h LYS 31 N 0.50 0.19 -0.02 0.04 3.64 -1.02 0.76 116.57 120.66 1tou h LYS 31 Ca 0.46 -0.01 -0.13 0.00 -1.27 0.00 0.00 60.65 59.69 1tou h LYS 31 Cb 0.71 -0.04 0.01 0.00 -0.41 0.00 0.00 32.23 32.50 1tou h LYS 31 CO -0.41 0.13 -0.50 0.28 -2.27 0.00 0.00 179.45 176.67 1tou h VAL 32 N 0.20 1.44 -0.72 2.00 2.07 -1.10 -3.17 116.25 116.97 1tou h VAL 32 Ca 0.12 -1.99 -0.01 0.00 0.82 0.00 0.00 66.70 65.63 1tou h VAL 32 Cb 0.09 2.55 -0.03 0.00 -1.52 0.00 0.00 31.29 32.37 1tou h VAL 32 CO -0.13 0.57 0.40 0.00 0.02 0.00 0.00 177.57 178.44 1tou h ALA 33 N 0.34 1.34 0.00 1.67 0.00 -0.24 -2.81 119.26 119.56 1tou h ALA 33 Ca -0.06 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 1tou h ALA 33 Cb 1.21 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1tou h ALA 33 CO 0.10 0.54 -0.30 0.78 0.00 0.00 0.00 179.25 180.36 1tou h GLY 34 N 1.04 0.00 1.66 0.00 0.00 -0.93 -3.07 103.07 101.78 1tou h GLY 34 Ca 0.26 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.45 1tou h GLY 34 CO -0.04 0.00 -0.86 -0.33 0.00 0.00 0.00 176.54 175.31 1tou h MET 35 N 0.00 0.00 -7.01 4.80 2.86 -1.49 -3.48 114.93 110.62 1tou h MET 35 Ca -0.00 0.00 -0.53 0.00 -2.06 0.00 0.00 59.70 57.11 1tou h MET 35 Cb 0.89 0.00 0.10 0.00 0.06 0.00 0.00 31.60 32.65 1tou h MET 35 CO 0.04 0.48 0.57 0.00 1.06 0.00 0.00 176.91 179.05 1tou s ALA 36 N -2.92 2.98 -0.58 6.32 0.00 -1.08 -5.00 121.76 121.47 1tou s ALA 36 Ca 0.01 1.17 0.04 0.00 0.00 0.00 0.00 51.96 53.18 1tou s ALA 36 Cb 0.08 -3.48 0.15 0.00 0.00 0.00 0.00 23.12 19.87 1tou s ALA 36 CO 0.77 -0.99 0.37 0.15 0.00 0.00 0.00 175.76 176.07 1tou s LYS 37 N -2.68 2.00 0.68 0.00 1.02 -1.26 -5.04 119.74 114.46 1tou s LYS 37 Ca 0.65 -2.82 -0.15 0.00 0.02 0.00 0.00 55.97 53.67 1tou s LYS 37 Cb -0.36 -3.04 0.01 0.00 -0.52 0.00 0.00 37.83 33.92 1tou s LYS 37 CO 0.43 -1.22 1.13 -1.25 -0.92 0.00 0.00 175.35 173.52 1tou s PRO 38 N -0.70 2.61 -0.07 -1.68 0.04 -1.26 -4.65 135.00 129.29 1tou s PRO 38 Ca 0.22 1.48 -0.07 0.00 0.04 0.00 0.00 61.00 62.68 1tou s PRO 38 Cb -0.13 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 1tou s PRO 38 CO -0.09 -1.41 0.19 -0.80 0.04 0.00 0.00 177.00 174.92 1tou s ASN 39 N -2.45 6.43 -0.12 6.66 0.01 -0.20 -1.53 114.94 123.75 1tou s ASN 39 Ca 0.69 0.49 0.02 0.00 -0.71 0.00 0.00 52.86 53.35 1tou s ASN 39 Cb -0.23 -2.07 -0.01 0.00 0.41 0.00 0.00 41.25 39.35 1tou s ASN 39 CO 0.43 0.35 -0.18 -0.32 -1.51 0.00 0.00 177.10 175.87 1tou s MET 40 N -1.31 3.23 -0.25 -0.60 -2.45 0.11 -0.26 119.30 117.77 1tou s MET 40 Ca 0.20 -0.78 0.02 0.00 -1.25 0.00 0.00 55.69 53.88 1tou s MET 40 Cb -0.13 -2.47 0.05 0.00 1.25 0.00 0.00 34.83 33.53 1tou s MET 40 CO 0.09 0.20 -0.11 0.42 1.05 0.00 0.00 175.02 176.67 1tou s ILE 41 N 0.35 2.28 -0.17 10.11 1.01 0.49 -0.22 121.20 135.04 1tou s ILE 41 Ca -0.15 -1.43 -0.05 0.00 0.00 0.00 0.00 60.65 59.03 1tou s ILE 41 Cb -0.17 -2.25 -0.03 0.00 0.01 0.00 0.00 42.46 40.02 1tou s ILE 41 CO 0.07 0.09 -0.01 -0.63 0.00 0.00 0.00 174.94 174.47 1tou s ILE 42 N 1.17 4.08 0.05 2.92 1.01 -0.40 -1.15 121.20 128.88 1tou s ILE 42 Ca -0.05 -0.29 -0.00 0.00 0.00 0.00 0.00 60.65 60.31 1tou s ILE 42 Cb -0.18 -2.81 -0.04 0.00 0.01 0.00 0.00 42.46 39.44 1tou s ILE 42 CO -0.06 0.48 -0.04 -0.94 0.00 0.00 0.00 174.94 174.38 1tou s SER 43 N 0.47 0.57 -0.01 3.58 1.04 -0.43 -1.63 113.70 117.28 1tou s SER 43 Ca -0.02 -0.90 0.01 0.00 0.48 0.00 0.00 55.95 55.52 1tou s SER 43 Cb -0.14 0.16 0.01 0.00 0.10 0.00 0.00 66.02 66.15 1tou s SER 43 CO 0.02 -0.51 -0.01 -0.69 0.98 0.00 0.00 173.24 173.03 1tou s VAL 44 N -3.35 0.17 -0.30 5.02 1.01 -1.26 -0.39 120.40 121.30 1tou s VAL 44 Ca 0.03 -0.00 -0.01 0.00 0.00 0.00 0.00 61.98 61.99 1tou s VAL 44 Cb 0.04 -0.21 0.10 0.00 0.00 0.00 0.00 36.38 36.31 1tou s VAL 44 CO -0.07 0.10 0.10 0.20 0.00 0.00 0.00 175.10 175.42 1tou s ASN 45 N 0.47 3.85 1.91 3.32 0.01 -0.04 -5.02 114.94 119.44 1tou s ASN 45 Ca -0.04 -1.50 0.00 0.00 -0.71 0.00 0.00 52.86 50.60 1tou s ASN 45 Cb -0.07 -0.76 0.00 0.00 0.41 0.00 0.00 41.25 40.83 1tou s ASN 45 CO -0.01 -0.41 0.00 0.61 -1.51 0.00 0.00 177.10 175.78 1tou n GLY 46 N 4.93 4.14 0.62 0.66 0.00 -1.26 -2.13 105.19 112.15 1tou n GLY 46 Ca -0.03 0.11 0.13 0.00 0.00 0.00 0.00 46.02 46.22 1tou n GLY 46 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1tou n ASP 47 N 9.08 2.05 -4.62 1.61 5.68 -1.26 -4.85 116.55 124.23 1tou n ASP 47 Ca 0.00 -1.60 -0.40 0.00 -0.50 0.00 0.00 54.79 52.30 1tou n ASP 47 Cb 0.00 0.08 -0.08 0.00 -1.14 0.00 0.00 41.12 39.99 1tou n ASP 47 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1tou s VAL 48 N -2.14 5.09 -0.16 2.12 1.01 -0.91 -4.28 120.40 121.13 1tou s VAL 48 Ca 0.30 0.85 -0.08 0.00 0.00 0.00 0.00 61.98 63.05 1tou s VAL 48 Cb 0.20 -3.81 -0.04 0.00 0.00 0.00 0.00 36.38 32.73 1tou s VAL 48 CO 0.38 0.11 0.10 -0.63 0.00 0.00 0.00 175.10 175.07 1tou s ILE 49 N 2.16 5.18 -0.16 2.22 1.01 0.19 -0.86 121.20 130.94 1tou s ILE 49 Ca 0.21 0.10 -0.01 0.00 0.00 0.00 0.00 60.65 60.95 1tou s ILE 49 Cb -0.16 -3.31 -0.01 0.00 0.01 0.00 0.00 42.46 39.00 1tou s ILE 49 CO 0.09 0.52 -0.12 -0.89 0.00 0.00 0.00 174.94 174.54 1tou s THR 50 N -0.18 2.95 -0.23 2.92 2.01 0.47 -1.23 115.64 122.35 1tou s THR 50 Ca 0.09 -0.67 0.01 0.00 0.31 0.00 0.00 61.69 61.43 1tou s THR 50 Cb -0.12 -2.27 0.04 0.00 0.01 0.00 0.00 72.50 70.16 1tou s THR 50 CO 0.01 0.50 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.68 1tou s ILE 51 N 0.85 2.38 -0.07 1.82 1.01 0.07 -1.32 121.20 125.94 1tou s ILE 51 Ca -0.04 -1.21 -0.04 0.00 0.00 0.00 0.00 60.65 59.36 1tou s ILE 51 Cb -0.15 -2.21 -0.04 0.00 0.01 0.00 0.00 42.46 40.07 1tou s ILE 51 CO 0.00 0.22 0.12 -0.54 0.00 0.00 0.00 174.94 174.75 1tou s LYS 52 N 1.24 3.31 -0.09 2.79 1.02 -0.30 -1.26 119.74 126.44 1tou s LYS 52 Ca -0.02 -0.28 0.03 0.00 0.02 0.00 0.00 55.97 55.72 1tou s LYS 52 Cb -0.17 -3.05 0.01 0.00 -0.52 0.00 0.00 37.83 34.10 1tou s LYS 52 CO -0.07 0.72 -0.17 0.45 -0.92 0.00 0.00 175.35 175.36 1tou s SER 53 N -1.37 2.41 -0.14 2.83 0.15 -0.02 -0.38 113.70 117.18 1tou s SER 53 Ca 0.19 -0.42 0.02 0.00 0.70 0.00 0.00 55.95 56.44 1tou s SER 53 Cb -0.12 -1.10 0.01 0.00 -1.71 0.00 0.00 66.02 63.10 1tou s SER 53 CO 0.09 0.07 -0.19 -1.61 1.20 0.00 0.00 173.24 172.80 1tou s GLU 54 N 0.67 2.72 0.23 5.44 2.02 0.64 -0.78 118.70 129.65 1tou s GLU 54 Ca -0.13 -0.74 -0.13 0.00 0.02 0.00 0.00 54.97 53.99 1tou s GLU 54 Cb -0.16 -2.26 -0.00 0.00 0.10 0.00 0.00 34.13 31.81 1tou s GLU 54 CO 0.03 -0.07 0.45 -1.54 0.02 0.00 0.00 175.26 174.16 1tou s SER 55 N 0.97 -0.09 0.58 -0.19 1.04 -1.20 -1.03 113.70 113.78 1tou s SER 55 Ca -0.05 -0.87 0.34 0.00 0.48 0.00 0.00 55.95 55.85 1tou s SER 55 Cb -0.15 0.56 1.79 0.00 0.10 0.00 0.00 66.02 68.33 1tou s SER 55 CO -0.04 -1.09 2.18 0.71 0.98 0.00 0.00 173.24 175.98 1tou h THR 56 N 2.29 0.29 0.05 2.02 1.35 -1.97 -3.21 112.91 113.73 1tou h THR 56 Ca -0.27 -0.29 -0.00 0.00 -0.55 0.00 0.00 66.41 65.29 1tou h THR 56 Cb 1.25 1.22 0.00 0.00 -1.73 0.00 0.00 68.15 68.89 1tou h THR 56 CO 0.38 0.05 -0.02 0.15 -0.25 0.00 0.00 175.52 175.82 1tou h PHE 57 N 0.00 -0.06 -2.54 4.73 3.57 -1.95 -3.49 116.94 117.20 1tou h PHE 57 Ca -0.00 -0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.40 1tou h PHE 57 Cb 0.22 0.02 -0.23 0.00 2.79 0.00 0.00 35.95 38.75 1tou h PHE 57 CO 0.00 -0.04 -0.12 0.21 -2.23 0.00 0.00 178.31 176.13 1tou s LYS 58 N -1.64 0.62 0.10 1.11 2.20 -1.21 -5.07 119.74 115.85 1tou s LYS 58 Ca -0.01 0.58 -0.16 0.00 -0.36 0.00 0.00 55.97 56.02 1tou s LYS 58 Cb 0.00 0.30 -0.07 0.00 -1.51 0.00 0.00 37.83 36.56 1tou s LYS 58 CO 0.03 -0.10 0.53 -0.80 -0.36 0.00 0.00 175.35 174.65 1tou s ASN 59 N 0.01 6.91 0.12 1.43 0.01 -1.26 -3.27 114.94 118.89 1tou s ASN 59 Ca -0.02 1.13 0.01 0.00 -0.71 0.00 0.00 52.86 53.26 1tou s ASN 59 Cb -0.03 -2.31 -0.04 0.00 0.41 0.00 0.00 41.25 39.28 1tou s ASN 59 CO 0.02 0.20 -0.01 0.42 -1.51 0.00 0.00 177.10 176.22 1tou s THR 60 N -1.27 0.48 -0.12 1.60 -4.23 0.04 -4.99 115.64 107.16 1tou s THR 60 Ca 0.32 -1.92 -0.09 0.00 -1.18 0.00 0.00 61.69 58.82 1tou s THR 60 Cb -0.17 -1.86 0.04 0.00 1.34 0.00 0.00 72.50 71.85 1tou s THR 60 CO 0.18 -0.69 0.30 -0.70 -0.54 0.00 0.00 174.62 173.17 1tou s GLU 61 N -3.92 0.32 -0.02 3.99 2.12 -1.26 -0.84 118.70 119.09 1tou s GLU 61 Ca 0.17 0.48 0.06 0.00 0.36 0.00 0.00 54.97 56.04 1tou s GLU 61 Cb 0.06 0.09 -0.01 0.00 0.26 0.00 0.00 34.13 34.53 1tou s GLU 61 CO -0.02 -0.08 -0.20 0.96 -0.54 0.00 0.00 175.26 175.39 1tou s ILE 62 N 0.52 1.57 -0.05 -3.70 -4.36 -0.39 -4.99 121.20 109.80 1tou s ILE 62 Ca -0.03 -0.84 0.06 0.00 -0.26 0.00 0.00 60.65 59.57 1tou s ILE 62 Cb -0.04 -1.31 -0.01 0.00 1.25 0.00 0.00 42.46 42.35 1tou s ILE 62 CO -0.03 0.44 -0.22 -0.44 0.24 0.00 0.00 174.94 174.94 1tou s SER 63 N -0.40 2.71 0.13 4.36 0.01 -1.26 -0.75 113.70 118.50 1tou s SER 63 Ca 0.06 -0.45 -0.17 0.00 1.31 0.00 0.00 55.95 56.70 1tou s SER 63 Cb -0.08 -0.71 0.04 0.00 0.21 0.00 0.00 66.02 65.48 1tou s SER 63 CO -0.00 0.21 0.44 0.72 0.41 0.00 0.00 173.24 175.02 1tou s PHE 64 N -0.12 -0.27 -0.11 2.43 -0.71 -0.37 -4.97 117.98 113.86 1tou s PHE 64 Ca -0.03 -0.03 -0.02 0.00 -1.04 0.00 0.00 56.93 55.81 1tou s PHE 64 Cb -0.13 0.31 -0.03 0.00 -1.21 0.00 0.00 43.02 41.97 1tou s PHE 64 CO 0.03 -0.73 -0.02 0.42 -1.34 0.00 0.00 175.22 173.58 1tou s ILE 65 N -3.77 4.12 0.10 -4.49 1.01 -1.26 -0.63 121.20 116.28 1tou s ILE 65 Ca 0.02 -0.30 -0.35 0.00 0.00 0.00 0.00 60.65 60.02 1tou s ILE 65 Cb 0.01 -2.76 -0.15 0.00 0.01 0.00 0.00 42.46 39.58 1tou s ILE 65 CO -0.12 0.56 1.52 0.18 0.00 0.00 0.00 174.94 177.08 1tou n LEU 66 N 2.66 2.56 0.00 2.97 4.77 -1.26 -2.06 117.00 126.63 1tou n LEU 66 Ca -0.18 1.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.89 1tou n LEU 66 Cb 0.53 -1.32 0.00 0.00 -2.33 0.00 0.00 43.42 40.30 1tou n LEU 66 CO 0.30 -0.56 0.00 0.61 -1.33 0.00 0.00 177.39 176.41 1tou n GLY 67 N 3.18 0.69 3.23 -0.72 0.00 0.28 -4.99 105.19 106.86 1tou n GLY 67 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 1tou n GLY 67 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1tou s GLN 68 N -0.11 2.93 0.44 1.61 0.74 -0.88 -4.99 119.66 119.39 1tou s GLN 68 Ca 0.00 -0.93 -0.25 0.00 0.05 0.00 0.00 55.36 54.24 1tou s GLN 68 Cb 0.00 -3.05 -0.08 0.00 1.10 0.00 0.00 33.01 30.98 1tou s GLN 68 CO 0.00 -0.39 1.31 -2.00 -0.55 0.00 0.00 175.29 173.66 1tou s GLU 69 N 1.37 3.78 0.09 1.67 2.12 -1.26 -4.63 118.70 121.84 1tou s GLU 69 Ca 0.01 2.15 -0.09 0.00 0.36 0.00 0.00 54.97 57.40 1tou s GLU 69 Cb -0.16 -2.62 -0.00 0.00 0.26 0.00 0.00 34.13 31.60 1tou s GLU 69 CO -0.03 -0.64 0.19 -0.59 -0.54 0.00 0.00 175.26 173.64 1tou s PHE 70 N -1.30 0.15 -0.06 5.30 -0.71 -0.29 -4.98 117.98 116.09 1tou s PHE 70 Ca 0.60 -0.57 -0.24 0.00 -1.04 0.00 0.00 56.93 55.68 1tou s PHE 70 Cb -0.38 -0.06 -0.03 0.00 -1.21 0.00 0.00 43.02 41.34 1tou s PHE 70 CO 0.48 -0.54 0.74 -0.51 -1.34 0.00 0.00 175.22 174.04 1tou s ASP 71 N -2.83 7.03 -0.05 1.98 1.01 -1.26 -0.91 116.67 121.63 1tou s ASP 71 Ca 0.04 1.24 0.05 0.00 0.71 0.00 0.00 52.55 54.59 1tou s ASP 71 Cb 0.05 -2.43 -0.00 0.00 1.01 0.00 0.00 42.92 41.54 1tou s ASP 71 CO -0.11 -0.14 -0.19 -0.70 0.21 0.00 0.00 175.17 174.24 1tou s GLU 72 N 0.89 2.09 -0.28 8.23 2.12 -0.28 -4.95 118.70 126.53 1tou s GLU 72 Ca 0.39 -0.69 -0.12 0.00 0.36 0.00 0.00 54.97 54.91 1tou s GLU 72 Cb -0.18 -1.76 -0.05 0.00 0.26 0.00 0.00 34.13 32.40 1tou s GLU 72 CO 0.19 0.25 0.23 0.08 -0.54 0.00 0.00 175.26 175.47 1tou s VAL 73 N 0.08 5.28 0.79 3.70 1.01 -1.26 -1.32 120.40 128.68 1tou s VAL 73 Ca -0.06 0.26 -0.11 0.00 0.00 0.00 0.00 61.98 62.07 1tou s VAL 73 Cb -0.13 -3.57 0.08 0.00 0.00 0.00 0.00 36.38 32.77 1tou s VAL 73 CO 0.03 0.23 1.14 0.42 0.00 0.00 0.00 175.10 176.93 1tou s THR 74 N 1.80 2.07 0.44 3.92 -4.23 -0.52 -4.91 115.64 114.22 1tou s THR 74 Ca 0.09 -0.08 0.12 0.00 -1.18 0.00 0.00 61.69 60.64 1tou s THR 74 Cb -0.16 -3.00 0.30 0.00 1.34 0.00 0.00 72.50 70.99 1tou s THR 74 CO 0.11 0.00 2.04 0.00 -0.54 0.00 0.00 174.62 176.22 1tou h ALA 75 N -0.97 1.92 -0.27 3.99 0.00 -1.94 -0.83 119.26 121.17 1tou h ALA 75 Ca -0.45 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1tou h ALA 75 Cb 1.32 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1tou h ALA 75 CO 0.63 0.00 0.00 -0.40 0.00 0.00 0.00 179.25 179.48 1tou n ASP 76 N -4.48 1.86 -0.94 0.00 5.75 -1.26 -4.93 116.55 112.56 1tou n ASP 76 Ca 0.05 -2.09 -0.09 0.00 -0.01 0.00 0.00 54.79 52.65 1tou n ASP 76 Cb 0.23 -0.29 -0.02 0.00 -1.03 0.00 0.00 41.12 40.01 1tou n ASP 76 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1tou n ASP 77 N 0.31 -3.58 -4.78 -1.12 8.00 -0.32 -5.03 116.55 110.04 1tou n ASP 77 Ca 0.10 0.09 -0.37 0.00 0.71 0.00 0.00 54.79 55.32 1tou n ASP 77 Cb 0.34 -2.49 -0.06 0.00 -0.02 0.00 0.00 41.12 38.89 1tou n ASP 77 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1tou s ARG 78 N -3.82 4.57 -0.39 -1.24 0.52 -1.26 -4.82 118.95 112.51 1tou s ARG 78 Ca 0.00 1.31 -0.11 0.00 -0.52 0.00 0.00 55.73 56.42 1tou s ARG 78 Cb 0.00 -2.79 0.04 0.00 0.52 0.00 0.00 34.95 32.72 1tou s ARG 78 CO 0.00 0.28 0.23 0.15 0.02 0.00 0.00 175.30 175.97 1tou s LYS 79 N -2.07 2.78 0.21 3.54 1.02 -1.26 -1.44 119.74 122.51 1tou s LYS 79 Ca 0.50 -1.18 0.10 0.00 0.02 0.00 0.00 55.97 55.41 1tou s LYS 79 Cb -0.18 -3.76 -0.05 0.00 -0.52 0.00 0.00 37.83 33.32 1tou s LYS 79 CO 0.23 -0.77 -0.19 0.14 -0.92 0.00 0.00 175.35 173.85 1tou s VAL 80 N 1.53 2.04 -0.32 3.17 -7.23 -0.43 -4.81 120.40 114.35 1tou s VAL 80 Ca 0.02 -2.13 -0.14 0.00 -1.81 0.00 0.00 61.98 57.92 1tou s VAL 80 Cb -0.20 -2.04 -0.03 0.00 0.56 0.00 0.00 36.38 34.67 1tou s VAL 80 CO 0.06 -0.38 0.31 -0.54 -0.31 0.00 0.00 175.10 174.24 1tou s LYS 81 N -3.17 3.72 -0.08 4.82 -0.14 0.03 -1.12 119.74 123.80 1tou s LYS 81 Ca 0.22 -0.35 0.01 0.00 -1.36 0.00 0.00 55.97 54.49 1tou s LYS 81 Cb -0.05 -3.75 -0.03 0.00 -1.68 0.00 0.00 37.83 32.33 1tou s LYS 81 CO 0.09 -0.39 -0.09 -1.12 -0.76 0.00 0.00 175.35 173.08 1tou s SER 82 N 1.72 4.45 -0.06 2.83 0.01 -0.09 -0.66 113.70 121.89 1tou s SER 82 Ca 0.10 -0.11 0.01 0.00 1.31 0.00 0.00 55.95 57.26 1tou s SER 82 Cb -0.16 -1.24 0.02 0.00 0.21 0.00 0.00 66.02 64.85 1tou s SER 82 CO 0.11 0.31 -0.06 -0.89 0.41 0.00 0.00 173.24 173.11 1tou s THR 83 N -0.48 0.74 -0.10 1.44 2.01 -0.27 -1.13 115.64 117.84 1tou s THR 83 Ca 0.07 -0.21 0.03 0.00 0.31 0.00 0.00 61.69 61.89 1tou s THR 83 Cb -0.12 -0.75 0.01 0.00 0.01 0.00 0.00 72.50 71.64 1tou s THR 83 CO 0.02 0.28 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.40 1tou s ILE 84 N 1.08 1.83 0.33 1.82 1.01 -1.26 -1.35 121.20 124.67 1tou s ILE 84 Ca -0.08 -0.88 0.04 0.00 0.00 0.00 0.00 60.65 59.73 1tou s ILE 84 Cb -0.14 -1.61 -0.06 0.00 0.01 0.00 0.00 42.46 40.66 1tou s ILE 84 CO -0.01 0.51 0.06 0.42 0.00 0.00 0.00 174.94 175.92 1tou s THR 85 N 0.52 1.22 -0.20 2.92 -4.23 -0.27 -0.56 115.64 115.05 1tou s THR 85 Ca -0.15 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.34 1tou s THR 85 Cb -0.17 -2.80 0.01 0.00 1.34 0.00 0.00 72.50 70.88 1tou s THR 85 CO 0.06 0.00 -0.13 -0.22 -0.54 0.00 0.00 174.62 173.79 1tou s LEU 86 N -3.50 2.49 -0.30 4.79 2.96 -1.26 -0.39 118.68 123.47 1tou s LEU 86 Ca 0.36 -0.52 -0.03 0.00 -0.22 0.00 0.00 54.13 53.72 1tou s LEU 86 Cb 0.09 -1.60 0.10 0.00 0.50 0.00 0.00 46.19 45.28 1tou s LEU 86 CO 0.16 -0.00 0.13 -0.62 -1.32 0.00 0.00 176.35 174.69 1tou s ASP 87 N 1.33 3.65 -1.45 3.68 3.68 0.55 -4.77 116.67 123.34 1tou s ASP 87 Ca 0.05 -1.43 -0.06 0.00 2.13 0.00 0.00 52.55 53.24 1tou s ASP 87 Cb -0.14 -0.49 0.01 0.00 -1.45 0.00 0.00 42.92 40.85 1tou s ASP 87 CO -0.08 -0.43 0.79 0.61 0.13 0.00 0.00 175.17 176.19 1tou n GLY 88 N 5.08 -0.49 2.62 2.66 0.00 -1.26 -1.42 105.19 112.38 1tou n GLY 88 Ca -0.04 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1tou n GLY 88 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tou n GLY 89 N -1.67 0.71 3.62 -0.02 0.00 -1.26 -5.02 105.19 101.55 1tou n GLY 89 Ca -0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.61 1tou n GLY 89 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1tou s VAL 90 N -2.92 4.74 -0.35 1.61 1.01 -0.51 -4.58 120.40 119.40 1tou s VAL 90 Ca 0.00 -0.05 -0.27 0.00 0.00 0.00 0.00 61.98 61.66 1tou s VAL 90 Cb 0.00 -3.14 0.02 0.00 0.00 0.00 0.00 36.38 33.26 1tou s VAL 90 CO 0.00 0.46 1.00 -0.76 0.00 0.00 0.00 175.10 175.80 1tou s LEU 91 N 0.42 3.94 -0.31 3.92 1.43 -0.62 -0.33 118.68 127.13 1tou s LEU 91 Ca 0.03 0.79 -0.06 0.00 -1.03 0.00 0.00 54.13 53.86 1tou s LEU 91 Cb -0.13 -3.40 0.02 0.00 0.03 0.00 0.00 46.19 42.72 1tou s LEU 91 CO 0.00 -0.89 0.08 -0.69 0.23 0.00 0.00 176.35 175.09 1tou s VAL 92 N 3.62 3.79 -0.22 -1.59 1.01 0.48 -1.54 120.40 125.94 1tou s VAL 92 Ca 0.42 -0.93 -0.03 0.00 0.00 0.00 0.00 61.98 61.44 1tou s VAL 92 Cb -0.12 -3.05 -0.00 0.00 0.00 0.00 0.00 36.38 33.22 1tou s VAL 92 CO 0.18 -0.04 -0.06 -2.28 0.00 0.00 0.00 175.10 172.90 1tou s HIS 93 N 1.44 2.95 -0.13 5.22 5.04 -0.15 -1.12 115.29 128.54 1tou s HIS 93 Ca 0.00 -1.08 0.00 0.00 -1.54 0.00 0.00 55.06 52.45 1tou s HIS 93 Cb -0.18 -2.08 -0.01 0.00 0.04 0.00 0.00 32.58 30.34 1tou s HIS 93 CO 0.02 -0.60 -0.14 0.08 -2.34 0.00 0.00 174.74 171.76 1tou s VAL 94 N 1.44 2.97 -0.15 0.89 1.01 -0.46 0.69 120.40 126.79 1tou s VAL 94 Ca 0.05 -0.69 -0.03 0.00 0.00 0.00 0.00 61.98 61.31 1tou s VAL 94 Cb -0.14 -2.24 -0.03 0.00 0.00 0.00 0.00 36.38 33.97 1tou s VAL 94 CO -0.05 0.53 -0.05 -1.10 0.00 0.00 0.00 175.10 174.43 1tou s GLN 95 N 0.37 3.62 -0.08 2.72 -0.21 -0.36 -1.12 119.66 124.62 1tou s GLN 95 Ca -0.11 -0.55 0.03 0.00 0.02 0.00 0.00 55.36 54.76 1tou s GLN 95 Cb -0.16 -2.88 0.00 0.00 1.00 0.00 0.00 33.01 30.97 1tou s GLN 95 CO 0.06 0.22 -0.18 0.15 -2.12 0.00 0.00 175.29 173.42 1tou s LYS 96 N 0.40 2.30 -0.28 2.91 1.02 0.16 -1.17 119.74 125.07 1tou s LYS 96 Ca -0.05 -0.65 -0.23 0.00 0.02 0.00 0.00 55.97 55.06 1tou s LYS 96 Cb -0.14 -1.82 0.11 0.00 -0.52 0.00 0.00 37.83 35.45 1tou s LYS 96 CO 0.03 0.14 0.93 1.67 -0.92 0.00 0.00 175.35 177.20 1tou s TRP 97 N 0.40 -0.61 -1.54 3.18 -2.14 -0.56 -0.79 118.94 116.89 1tou s TRP 97 Ca -0.14 1.41 -0.11 0.00 2.66 0.00 0.00 56.10 59.92 1tou s TRP 97 Cb -0.16 0.36 0.08 0.00 -3.10 0.00 0.00 33.47 30.66 1tou s TRP 97 CO 0.06 -0.30 0.76 -0.25 -2.66 0.00 0.00 176.95 174.56 1tou n ASP 98 N 2.72 -2.92 0.00 -2.66 8.00 -1.26 -0.38 116.55 120.05 1tou n ASP 98 Ca -0.14 -0.91 0.00 0.00 0.71 0.00 0.00 54.79 54.44 1tou n ASP 98 Cb 0.56 -3.34 0.00 0.00 -0.02 0.00 0.00 41.12 38.32 1tou n ASP 98 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1tou n GLY 99 N -1.65 0.24 3.80 0.44 0.00 -1.26 -4.98 105.19 101.78 1tou n GLY 99 Ca -0.06 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.74 1tou n GLY 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tou s LYS 100 N -1.08 2.51 0.02 1.61 1.02 0.49 -5.15 119.74 119.17 1tou s LYS 100 Ca 0.00 -1.48 -0.15 0.00 0.02 0.00 0.00 55.97 54.36 1tou s LYS 100 Cb 0.00 -2.30 0.02 0.00 -0.52 0.00 0.00 37.83 35.03 1tou s LYS 100 CO 0.00 0.03 0.32 -1.54 -0.92 0.00 0.00 175.35 173.24 1tou s SER 101 N -3.96 -0.17 0.06 2.83 1.04 -1.26 -1.49 113.70 110.76 1tou s SER 101 Ca 0.41 -0.08 0.04 0.00 0.48 0.00 0.00 55.95 56.80 1tou s SER 101 Cb -0.03 0.35 -0.03 0.00 0.10 0.00 0.00 66.02 66.41 1tou s SER 101 CO 0.25 -0.57 -0.12 0.28 0.98 0.00 0.00 173.24 174.07 1tou s THR 102 N -2.14 0.90 -0.07 2.02 -1.32 -0.32 -4.67 115.64 110.04 1tou s THR 102 Ca -0.08 -1.26 0.05 0.00 -1.21 0.00 0.00 61.69 59.19 1tou s THR 102 Cb -0.02 -0.94 -0.00 0.00 -1.51 0.00 0.00 72.50 70.02 1tou s THR 102 CO -0.01 -0.31 -0.23 -0.89 -2.21 0.00 0.00 174.62 170.97 1tou s THR 103 N -1.43 1.95 -0.21 5.08 2.01 -0.96 -1.22 115.64 120.87 1tou s THR 103 Ca -0.04 -0.98 0.00 0.00 0.31 0.00 0.00 61.69 60.98 1tou s THR 103 Cb -0.09 -1.67 0.05 0.00 0.01 0.00 0.00 72.50 70.80 1tou s THR 103 CO 0.01 0.54 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.80 1tou s ILE 104 N 0.11 1.34 -0.21 1.82 1.01 0.22 -0.83 121.20 124.66 1tou s ILE 104 Ca -0.11 -0.96 -0.07 0.00 0.00 0.00 0.00 60.65 59.51 1tou s ILE 104 Cb -0.15 -1.57 -0.04 0.00 0.01 0.00 0.00 42.46 40.71 1tou s ILE 104 CO 0.06 -0.00 0.06 -0.54 0.00 0.00 0.00 174.94 174.52 1tou s LYS 105 N 1.50 3.83 -0.21 2.79 1.02 -0.04 -0.98 119.74 127.66 1tou s LYS 105 Ca -0.03 -0.41 -0.03 0.00 0.02 0.00 0.00 55.97 55.52 1tou s LYS 105 Cb -0.17 -3.25 -0.01 0.00 -0.52 0.00 0.00 37.83 33.88 1tou s LYS 105 CO -0.07 0.09 -0.06 1.03 -0.92 0.00 0.00 175.35 175.42 1tou s ARG 106 N 0.87 3.37 0.10 1.68 0.52 -0.59 -0.50 118.95 124.40 1tou s ARG 106 Ca 0.03 -0.64 0.06 0.00 -0.52 0.00 0.00 55.73 54.66 1tou s ARG 106 Cb -0.14 -2.94 -0.03 0.00 0.52 0.00 0.00 34.95 32.36 1tou s ARG 106 CO 0.02 -0.14 -0.14 -1.59 0.02 0.00 0.00 175.30 173.47 1tou s LYS 107 N 1.31 0.96 -0.06 3.54 -2.85 -0.09 -1.59 119.74 120.96 1tou s LYS 107 Ca 0.04 -1.14 -0.20 0.00 -1.00 0.00 0.00 55.97 53.67 1tou s LYS 107 Cb -0.14 -0.90 -0.04 0.00 -2.06 0.00 0.00 37.83 34.68 1tou s LYS 107 CO -0.03 0.18 0.57 1.03 0.10 0.00 0.00 175.35 177.21 1tou s ARG 108 N -2.32 4.35 -0.16 1.78 1.81 -1.26 -0.32 118.95 122.83 1tou s ARG 108 Ca 0.05 0.66 -0.04 0.00 -1.72 0.00 0.00 55.73 54.68 1tou s ARG 108 Cb -0.07 -3.40 0.07 0.00 -0.45 0.00 0.00 34.95 31.10 1tou s ARG 108 CO 0.03 0.22 0.19 -2.00 -0.68 0.00 0.00 175.30 173.05 1tou s GLU 109 N 0.35 0.12 6.23 3.54 2.12 -0.75 -4.96 118.70 125.36 1tou s GLU 109 Ca 0.31 0.29 0.00 0.00 0.36 0.00 0.00 54.97 55.93 1tou s GLU 109 Cb -0.17 -0.97 0.00 0.00 0.26 0.00 0.00 34.13 33.25 1tou s GLU 109 CO 0.15 -0.54 0.00 -0.25 -0.54 0.00 0.00 175.26 174.08 1tou n ASP 110 N 5.32 0.00 -0.63 -1.70 8.00 -1.26 -0.97 116.55 125.31 1tou n ASP 110 Ca -0.05 0.00 0.06 0.00 0.71 0.00 0.00 54.79 55.50 1tou n ASP 110 Cb 0.50 0.00 0.17 0.00 -0.02 0.00 0.00 41.12 41.76 1tou n ASP 110 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1tou n ASP 111 N 7.92 3.07 -4.94 -2.24 5.68 -1.26 -4.99 116.55 119.78 1tou n ASP 111 Ca 0.00 -2.29 -0.27 0.00 -0.50 0.00 0.00 54.79 51.74 1tou n ASP 111 Cb 0.00 -0.29 -0.03 0.00 -1.14 0.00 0.00 41.12 39.65 1tou n ASP 111 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 1tou s LYS 112 N -1.51 3.46 -0.26 0.11 1.02 -0.14 -4.29 119.74 118.13 1tou s LYS 112 Ca 0.26 -0.52 -0.06 0.00 0.02 0.00 0.00 55.97 55.67 1tou s LYS 112 Cb 0.17 -2.94 -0.01 0.00 -0.52 0.00 0.00 37.83 34.53 1tou s LYS 112 CO 0.12 0.50 0.04 -1.17 -0.92 0.00 0.00 175.35 173.92 1tou s LEU 113 N -3.19 3.44 -0.20 3.17 2.96 0.48 -1.81 118.68 123.53 1tou s LEU 113 Ca 0.35 -0.47 -0.06 0.00 -0.22 0.00 0.00 54.13 53.74 1tou s LEU 113 Cb -0.11 -1.85 -0.03 0.00 0.50 0.00 0.00 46.19 44.70 1tou s LEU 113 CO 0.29 -0.09 0.03 -0.69 -1.32 0.00 0.00 176.35 174.57 1tou s VAL 114 N 1.53 4.34 -0.23 1.68 1.01 0.56 -0.58 120.40 128.71 1tou s VAL 114 Ca 0.05 -0.18 -0.04 0.00 0.00 0.00 0.00 61.98 61.80 1tou s VAL 114 Cb -0.16 -2.97 -0.01 0.00 0.00 0.00 0.00 36.38 33.25 1tou s VAL 114 CO 0.01 0.43 -0.03 -0.69 0.00 0.00 0.00 175.10 174.81 1tou s VAL 115 N 0.83 3.42 -0.23 2.92 1.01 0.20 -0.91 120.40 127.64 1tou s VAL 115 Ca 0.02 -0.50 -0.06 0.00 0.00 0.00 0.00 61.98 61.44 1tou s VAL 115 Cb -0.14 -2.57 -0.02 0.00 0.00 0.00 0.00 36.38 33.64 1tou s VAL 115 CO 0.02 0.40 0.04 -0.70 0.00 0.00 0.00 175.10 174.86 1tou s GLU 116 N 1.48 3.61 -0.17 2.72 2.12 0.34 -0.03 118.70 128.77 1tou s GLU 116 Ca 0.06 -0.51 -0.00 0.00 0.36 0.00 0.00 54.97 54.88 1tou s GLU 116 Cb -0.14 -3.21 0.01 0.00 0.26 0.00 0.00 34.13 31.04 1tou s GLU 116 CO -0.03 -0.13 -0.15 0.00 -0.54 0.00 0.00 175.26 174.41 1tou s VAL 118 N 1.09 2.35 -0.08 0.00 1.01 -0.01 -0.73 120.40 124.03 1tou s VAL 118 Ca -0.00 -0.90 -0.03 0.00 0.00 0.00 0.00 61.98 61.05 1tou s VAL 118 Cb -0.14 -1.94 0.04 0.00 0.00 0.00 0.00 36.38 34.33 1tou s VAL 118 CO -0.05 0.54 0.06 -0.32 0.00 0.00 0.00 175.10 175.33 1tou s MET 119 N 0.52 0.05 4.47 2.72 1.75 -0.30 -2.27 119.30 126.23 1tou s MET 119 Ca -0.13 0.22 0.00 0.00 -1.25 0.00 0.00 55.69 54.53 1tou s MET 119 Cb -0.17 -0.92 0.00 0.00 2.84 0.00 0.00 34.83 36.58 1tou s MET 119 CO 0.05 -0.42 0.00 1.63 -0.65 0.00 0.00 175.02 175.63 1tou n LYS 120 N 5.27 0.00 -0.09 4.11 5.02 -1.26 -0.86 118.16 130.35 1tou n LYS 120 Ca -0.05 0.00 0.07 0.00 -2.02 0.00 0.00 58.31 56.32 1tou n LYS 120 Cb 0.50 0.00 0.28 0.00 -0.02 0.00 0.00 35.03 35.79 1tou n LYS 120 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1tou n GLY 121 N 0.00 0.09 3.56 0.72 0.00 -1.26 -4.86 105.19 103.45 1tou n GLY 121 Ca 0.00 -0.32 -0.34 0.00 0.00 0.00 0.00 46.02 45.36 1tou n GLY 121 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1tou s VAL 122 N -1.75 4.36 -0.12 1.61 1.01 -0.04 -5.09 120.40 120.38 1tou s VAL 122 Ca 0.25 -0.19 0.01 0.00 0.00 0.00 0.00 61.98 62.05 1tou s VAL 122 Cb 0.13 -2.94 0.02 0.00 0.00 0.00 0.00 36.38 33.58 1tou s VAL 122 CO 0.19 0.47 -0.15 -0.89 0.00 0.00 0.00 175.10 174.72 1tou s THR 123 N 0.42 1.54 -0.11 3.92 2.01 -1.26 -1.15 115.64 121.01 1tou s THR 123 Ca -0.00 -0.65 0.00 0.00 0.31 0.00 0.00 61.69 61.35 1tou s THR 123 Cb -0.13 -1.42 -0.02 0.00 0.01 0.00 0.00 72.50 70.94 1tou s THR 123 CO 0.02 0.45 -0.11 -0.55 -0.69 0.00 0.00 174.62 173.74 1tou s SER 124 N 1.13 4.25 -0.14 3.53 0.15 0.09 -4.74 113.70 117.98 1tou s SER 124 Ca -0.03 -0.22 0.00 0.00 0.70 0.00 0.00 55.95 56.41 1tou s SER 124 Cb -0.14 -1.40 -0.01 0.00 -1.71 0.00 0.00 66.02 62.76 1tou s SER 124 CO -0.04 0.24 -0.15 -0.89 1.20 0.00 0.00 173.24 173.60 1tou s THR 125 N -0.07 2.78 -0.10 6.45 2.01 -0.72 -0.11 115.64 125.88 1tou s THR 125 Ca -0.01 -0.74 0.01 0.00 0.31 0.00 0.00 61.69 61.26 1tou s THR 125 Cb -0.14 -2.17 0.02 0.00 0.01 0.00 0.00 72.50 70.22 1tou s THR 125 CO 0.03 0.52 -0.13 -0.13 -0.69 0.00 0.00 174.62 174.22 1tou s ARG 126 N 0.63 1.96 -0.13 4.92 0.52 0.95 -0.69 118.95 127.11 1tou s ARG 126 Ca -0.08 -0.46 -0.02 0.00 -0.52 0.00 0.00 55.73 54.65 1tou s ARG 126 Cb -0.16 -1.72 -0.02 0.00 0.52 0.00 0.00 34.95 33.57 1tou s ARG 126 CO 0.03 -0.09 -0.07 0.08 0.02 0.00 0.00 175.30 175.27 1tou s VAL 127 N 1.07 3.65 0.03 3.52 1.01 -0.45 0.60 120.40 129.84 1tou s VAL 127 Ca -0.06 -0.45 0.08 0.00 0.00 0.00 0.00 61.98 61.55 1tou s VAL 127 Cb -0.15 -2.57 -0.03 0.00 0.00 0.00 0.00 36.38 33.64 1tou s VAL 127 CO -0.02 0.52 -0.23 -0.31 0.00 0.00 0.00 175.10 175.06 1tou s TYR 128 N 0.12 2.41 0.26 5.22 1.51 0.26 -0.58 117.35 126.55 1tou s TYR 128 Ca -0.03 -0.36 0.12 0.00 -1.01 0.00 0.00 57.07 55.79 1tou s TYR 128 Cb -0.14 -1.44 -0.05 0.00 -0.11 0.00 0.00 41.96 40.22 1tou s TYR 128 CO 0.03 0.14 -0.21 -1.21 -1.11 0.00 0.00 175.55 173.20 1tou s GLU 129 N -1.19 1.65 0.30 -0.62 2.02 -0.61 -0.39 118.70 119.86 1tou s GLU 129 Ca 0.12 -1.72 -0.30 0.00 0.02 0.00 0.00 54.97 53.09 1tou s GLU 129 Cb -0.10 -1.78 -0.12 0.00 0.10 0.00 0.00 34.13 32.22 1tou s GLU 129 CO 0.02 0.34 1.52 0.54 0.02 0.00 0.00 175.26 177.71 1tou n ARG 130 N -0.46 2.53 0.00 1.61 1.74 -1.26 -0.29 116.66 120.52 1tou n ARG 130 Ca -0.06 0.90 0.13 0.00 -0.77 0.00 0.00 57.85 58.04 1tou n ARG 130 Cb 0.59 -2.63 0.74 0.00 -1.02 0.00 0.00 32.46 30.14 1tou n ARG 130 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11