#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mti s ILE 2 N 0.00 5.08 -0.10 0.00 2.07 -1.26 -5.24 121.20 121.76 3mti s ILE 2 Ca 0.00 1.33 -0.25 0.00 -1.41 0.00 0.00 60.65 60.31 3mti s ILE 2 Cb 0.00 -3.99 -0.03 0.00 0.13 0.00 0.00 42.46 38.58 3mti s ILE 2 CO 0.00 0.27 0.81 -0.54 -1.91 0.00 0.00 174.94 173.56 3mti s LYS 3 N 0.77 4.40 0.73 3.50 1.02 -1.26 -5.04 119.74 123.86 3mti s LYS 3 Ca 0.35 1.03 -0.16 0.00 0.02 0.00 0.00 55.97 57.22 3mti s LYS 3 Cb -0.17 -3.50 0.02 0.00 -0.52 0.00 0.00 37.83 33.66 3mti s LYS 3 CO 0.16 -0.12 1.08 0.54 -0.92 0.00 0.00 175.35 176.09 3mti n ARG 4 N 4.39 0.52 -0.26 1.68 1.74 -1.26 -4.86 116.66 118.61 3mti n ARG 4 Ca 0.02 0.24 0.27 0.00 -0.77 0.00 0.00 57.85 57.62 3mti n ARG 4 Cb 0.50 -2.32 0.65 0.00 -1.02 0.00 0.00 32.46 30.27 3mti n ARG 4 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 3mti h PRO 5 N -0.30 0.15 -0.17 5.56 0.11 -1.91 -0.87 132.00 134.57 3mti h PRO 5 Ca -0.48 -0.01 -0.17 0.00 0.11 0.00 0.00 66.00 65.45 3mti h PRO 5 Cb 1.33 -0.03 0.01 0.00 0.11 0.00 0.00 31.00 32.41 3mti h PRO 5 CO 0.48 0.10 -0.57 0.97 -0.21 0.00 0.00 178.00 178.77 3mti h ILE 6 N 0.15 1.32 0.00 4.15 2.10 -1.94 -1.24 117.51 122.04 3mti h ILE 6 Ca 0.50 -1.81 0.00 0.00 1.08 0.00 0.00 64.86 64.64 3mti h ILE 6 Cb 1.72 1.98 0.00 0.00 -1.09 0.00 0.00 36.82 39.43 3mti h ILE 6 CO -0.10 0.56 0.00 1.41 -1.08 0.00 0.00 178.15 178.95 3mti n HIS 7 N -4.12 0.00 0.00 2.19 -0.00 -0.33 -2.02 115.22 110.93 3mti n HIS 7 Ca -0.07 -0.07 0.00 0.00 -0.00 0.00 0.00 57.72 57.59 3mti n HIS 7 Cb 0.63 -0.10 0.00 0.00 -0.00 0.00 0.00 29.99 30.52 3mti n HIS 7 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.34 175.21 3mti n SER 9 N 0.83 0.00 -0.02 0.41 3.41 -0.47 -1.02 113.62 116.76 3mti n SER 9 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.49 3mti n SER 9 Cb 0.07 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 63.95 3mti n SER 9 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 3mti h HIS 10 N 0.00 0.15 -0.02 7.33 3.86 -1.69 -2.60 115.15 122.19 3mti h HIS 10 Ca 0.00 -0.03 0.03 0.00 -1.16 0.00 0.00 60.37 59.21 3mti h HIS 10 Cb 0.00 -0.04 -0.04 0.00 1.06 0.00 0.00 27.41 28.39 3mti h HIS 10 CO 0.00 0.42 -0.18 0.22 0.86 0.00 0.00 177.93 179.25 3mti h ASP 11 N -0.16 -0.53 -0.64 2.45 3.58 -1.35 -0.70 116.42 119.08 3mti h ASP 11 Ca 0.02 0.08 0.13 0.00 0.42 0.00 0.00 57.03 57.68 3mti h ASP 11 Cb 0.36 0.22 -0.11 0.00 1.72 0.00 0.00 39.33 41.53 3mti h ASP 11 CO 0.00 -0.24 0.00 0.15 -2.88 0.00 0.00 179.24 176.28 3mti h PHE 12 N -0.28 -0.04 0.06 0.28 3.57 -1.80 -1.37 116.94 117.37 3mti h PHE 12 Ca 0.06 0.05 -0.19 0.00 3.53 0.00 0.00 57.97 61.42 3mti h PHE 12 Cb 0.36 0.12 0.02 0.00 2.79 0.00 0.00 35.95 39.24 3mti h PHE 12 CO -0.24 -0.17 -0.79 -0.07 -2.23 0.00 0.00 178.31 174.82 3mti h LEU 13 N 0.12 0.58 -1.47 0.59 3.38 -1.40 -3.23 115.31 113.87 3mti h LEU 13 Ca 0.33 -0.83 0.18 0.00 0.09 0.00 0.00 57.88 57.66 3mti h LEU 13 Cb 0.55 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 41.05 3mti h LEU 13 CO -0.54 1.35 0.57 0.00 0.09 0.00 0.00 178.44 179.91 3mti h ALA 14 N 0.25 2.11 -0.07 1.53 0.00 -0.71 -2.02 119.26 120.35 3mti h ALA 14 Ca -0.12 0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.83 3mti h ALA 14 Cb 1.52 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.26 3mti h ALA 14 CO 0.15 -0.37 0.06 1.49 0.00 0.00 0.00 179.25 180.57 3mti h GLU 15 N 0.46 0.00 -0.28 0.00 4.81 -1.28 -1.84 114.58 116.46 3mti h GLU 15 Ca 0.45 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.68 3mti h GLU 15 Cb 1.02 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.40 3mti h GLU 15 CO -0.18 0.00 0.00 1.33 -0.73 0.00 0.00 179.01 179.43 3mti n VAL 16 N -4.25 0.62 -3.33 0.32 0.24 -0.77 -5.01 118.33 106.15 3mti n VAL 16 Ca -0.01 -0.81 -0.32 0.00 -2.04 0.00 0.00 64.34 61.15 3mti n VAL 16 Cb 0.16 0.80 -0.06 0.00 -1.47 0.00 0.00 33.84 33.27 3mti n VAL 16 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3mti s LEU 17 N -1.07 4.15 0.34 1.34 1.02 -0.69 -4.98 118.68 118.78 3mti s LEU 17 Ca 0.24 1.04 -0.04 0.00 0.02 0.00 0.00 54.13 55.40 3mti s LEU 17 Cb 0.14 -3.78 0.00 0.00 0.02 0.00 0.00 46.19 42.57 3mti s LEU 17 CO 0.19 -0.10 0.49 1.51 0.02 0.00 0.00 176.35 178.45 3mti s ASP 18 N -2.29 0.77 0.00 2.29 1.47 -1.23 -5.02 116.67 112.65 3mti s ASP 18 Ca 0.49 -1.42 0.11 0.00 1.18 0.00 0.00 52.55 52.91 3mti s ASP 18 Cb -0.11 0.66 0.48 0.00 -0.34 0.00 0.00 42.92 43.61 3mti s ASP 18 CO 0.20 -1.30 1.32 -0.90 0.68 0.00 0.00 175.17 175.17 3mti n ASP 19 N -1.30 0.00 -0.73 2.11 5.75 -1.26 -1.63 116.55 119.49 3mti n ASP 19 Ca 0.00 0.41 0.11 0.00 -0.01 0.00 0.00 54.79 55.30 3mti n ASP 19 Cb 0.62 -0.45 0.06 0.00 -1.03 0.00 0.00 41.12 40.31 3mti n ASP 19 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3mti n GLU 20 N -1.45 1.80 -2.66 0.11 -0.58 -1.26 -3.17 120.64 113.42 3mti n GLU 20 Ca 0.03 -1.49 -0.41 0.00 -0.42 0.00 0.00 57.16 54.87 3mti n GLU 20 Cb 0.12 -1.42 -0.05 0.00 -0.57 0.00 0.00 31.44 29.52 3mti n GLU 20 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 3mti s SER 21 N -2.02 7.46 -0.15 1.62 0.01 -0.64 -4.62 113.70 115.35 3mti s SER 21 Ca 0.23 1.93 -0.12 0.00 1.31 0.00 0.00 55.95 59.29 3mti s SER 21 Cb 0.18 -2.60 -0.05 0.00 0.21 0.00 0.00 66.02 63.76 3mti s SER 21 CO 0.37 -0.06 0.25 -0.63 0.41 0.00 0.00 173.24 173.58 3mti s ILE 22 N -0.36 5.33 0.01 1.44 -1.09 -1.26 -0.16 121.20 125.11 3mti s ILE 22 Ca 0.46 0.46 0.06 0.00 -2.23 0.00 0.00 60.65 59.41 3mti s ILE 22 Cb -0.26 -3.58 -0.02 0.00 -1.58 0.00 0.00 42.46 37.02 3mti s ILE 22 CO 0.32 0.44 -0.20 -0.69 -1.23 0.00 0.00 174.94 173.58 3mti s VAL 23 N 0.16 1.56 -0.23 2.92 1.01 -0.56 -0.57 120.40 124.69 3mti s VAL 23 Ca 0.15 -0.99 -0.02 0.00 0.00 0.00 0.00 61.98 61.12 3mti s VAL 23 Cb -0.13 -1.33 0.01 0.00 0.00 0.00 0.00 36.38 34.93 3mti s VAL 23 CO 0.03 0.32 -0.06 -0.69 0.00 0.00 0.00 175.10 174.70 3mti s VAL 24 N -0.61 3.02 -0.53 2.92 1.01 -0.69 -1.56 120.40 123.96 3mti s VAL 24 Ca 0.07 -0.79 -0.20 0.00 0.00 0.00 0.00 61.98 61.06 3mti s VAL 24 Cb -0.08 -2.45 0.06 0.00 0.00 0.00 0.00 36.38 33.92 3mti s VAL 24 CO 0.00 0.32 0.70 -0.62 0.00 0.00 0.00 175.10 175.50 3mti s ASP 25 N 1.39 6.23 0.50 3.32 -1.08 0.26 -2.15 116.67 125.14 3mti s ASP 25 Ca 0.03 -0.92 0.30 0.00 -0.52 0.00 0.00 52.55 51.45 3mti s ASP 25 Cb -0.15 -2.32 1.09 0.00 -1.46 0.00 0.00 42.92 40.08 3mti s ASP 25 CO -0.05 -1.00 1.88 0.00 0.52 0.00 0.00 175.17 176.52 3mti h ALA 26 N 9.10 1.00 -2.68 3.66 0.00 -1.45 -0.86 119.26 128.03 3mti h ALA 26 Ca -0.28 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.43 3mti h ALA 26 Cb 1.09 0.00 -0.18 0.00 0.00 0.00 0.00 17.79 18.70 3mti h ALA 26 CO 1.01 0.00 -0.70 0.95 0.00 0.00 0.00 179.25 180.51 3mti s THR 27 N -3.53 0.40 0.00 0.00 -4.23 -1.24 -4.37 115.64 102.66 3mti s THR 27 Ca 0.03 -1.42 0.00 0.00 -1.18 0.00 0.00 61.69 59.12 3mti s THR 27 Cb 0.08 -1.00 0.00 0.00 1.34 0.00 0.00 72.50 72.92 3mti s THR 27 CO 0.57 -0.67 0.00 0.61 -0.54 0.00 0.00 174.62 174.58 3mti n GLY 29 N 0.81 0.48 0.00 3.99 0.00 -1.26 -4.69 105.19 104.52 3mti n GLY 29 Ca -0.18 -1.08 0.13 0.00 0.00 0.00 0.00 46.02 44.88 3mti n GLY 29 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3mti n ASN 30 N 0.00 0.00 0.00 1.61 0.23 -1.26 -4.68 115.26 111.16 3mti n ASN 30 Ca 0.00 -1.18 0.00 0.00 -0.53 0.00 0.00 54.58 52.87 3mti n ASN 30 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 3mti n ASN 30 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3mti n GLY 31 N 0.88 0.57 0.13 4.83 0.00 -1.26 -4.51 105.19 105.83 3mti n GLY 31 Ca 0.19 -0.55 -0.08 0.00 0.00 0.00 0.00 46.02 45.58 3mti n GLY 31 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3mti h ASN 32 N 0.00 0.17 -0.10 1.61 4.21 -1.95 -0.35 115.58 119.18 3mti h ASN 32 Ca 0.00 0.02 -0.21 0.00 1.21 0.00 0.00 56.30 57.32 3mti h ASN 32 Cb 0.00 -0.02 0.01 0.00 -1.12 0.00 0.00 38.32 37.19 3mti h ASN 32 CO 0.00 0.14 -0.72 0.44 -1.29 0.00 0.00 177.43 176.00 3mti h ASP 33 N 0.26 0.87 -0.30 5.81 3.32 -1.93 -2.79 116.42 121.66 3mti h ASP 33 Ca 0.11 -0.54 -0.01 0.00 0.02 0.00 0.00 57.03 56.61 3mti h ASP 33 Cb 0.05 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 3mti h ASP 33 CO -0.09 1.33 0.17 0.74 -1.72 0.00 0.00 179.24 179.67 3mti h THR 34 N 0.52 1.13 -0.72 0.35 2.02 -1.93 0.22 112.91 114.49 3mti h THR 34 Ca -0.03 -0.33 0.00 0.00 0.77 0.00 0.00 66.41 66.82 3mti h THR 34 Cb 1.33 0.79 -0.04 0.00 -1.74 0.00 0.00 68.15 68.50 3mti h THR 34 CO 0.15 0.13 0.47 0.00 0.37 0.00 0.00 175.52 176.63 3mti h ALA 35 N 1.04 1.46 0.01 6.16 0.00 -1.09 -0.65 119.26 126.20 3mti h ALA 35 Ca 0.11 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 3mti h ALA 35 Cb 0.05 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 17.56 3mti h ALA 35 CO -0.02 0.49 -0.37 0.35 0.00 0.00 0.00 179.25 179.70 3mti h PHE 36 N 0.98 0.34 -0.15 0.00 3.57 -1.20 -3.37 116.94 117.12 3mti h PHE 36 Ca 0.26 -0.20 -0.16 0.00 3.53 0.00 0.00 57.97 61.41 3mti h PHE 36 Cb -0.09 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.61 3mti h PHE 36 CO 0.00 1.03 -0.58 -0.07 -2.23 0.00 0.00 178.31 176.46 3mti h LEU 37 N -0.44 0.53 -1.35 0.59 3.38 -0.42 -3.29 115.31 114.31 3mti h LEU 37 Ca -0.05 -0.29 0.08 0.00 0.09 0.00 0.00 57.88 57.70 3mti h LEU 37 Cb 1.14 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.69 3mti h LEU 37 CO 0.07 0.99 0.50 0.00 0.09 0.00 0.00 178.44 180.10 3mti h ALA 38 N 1.01 1.72 0.00 1.53 0.00 -1.28 -1.01 119.26 121.24 3mti h ALA 38 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3mti h ALA 38 Cb 1.12 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.72 3mti h ALA 38 CO 0.10 0.15 0.00 0.41 0.00 0.00 0.00 179.25 179.91 3mti n GLY 39 N -1.44 -0.76 0.00 0.00 0.00 -1.24 -3.13 105.19 98.62 3mti n GLY 39 Ca 0.12 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3mti n GLY 39 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3mti n LEU 40 N -1.23 1.05 -4.23 0.99 4.77 -0.39 -5.07 117.00 112.89 3mti n LEU 40 Ca 0.09 -1.05 -0.15 0.00 -0.03 0.00 0.00 56.01 54.87 3mti n LEU 40 Cb 0.11 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.11 3mti n LEU 40 CO 0.12 0.26 -0.19 -0.94 -1.33 0.00 0.00 177.39 175.31 3mti s SER 41 N -0.14 0.76 -0.03 -1.43 1.04 -1.16 -3.56 113.70 109.17 3mti s SER 41 Ca 0.00 -1.54 -0.26 0.00 0.48 0.00 0.00 55.95 54.63 3mti s SER 41 Cb 0.00 0.45 -0.21 0.00 0.10 0.00 0.00 66.02 66.36 3mti s SER 41 CO 0.00 -0.93 1.22 0.50 0.98 0.00 0.00 173.24 175.01 3mti h LYS 42 N 2.43 0.00 -2.70 4.02 3.64 -0.51 -3.46 116.57 120.00 3mti h LYS 42 Ca -0.32 -0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 58.95 3mti h LYS 42 Cb 1.24 0.00 -0.24 0.00 -0.41 0.00 0.00 32.23 32.83 3mti h LYS 42 CO 0.46 0.54 -0.21 0.21 -2.27 0.00 0.00 179.45 178.18 3mti s LYS 43 N -4.07 0.52 -0.12 1.90 2.20 -1.12 -4.83 119.74 114.22 3mti s LYS 43 Ca -0.16 0.56 0.03 0.00 -0.36 0.00 0.00 55.97 56.04 3mti s LYS 43 Cb 0.01 0.25 0.00 0.00 -1.51 0.00 0.00 37.83 36.58 3mti s LYS 43 CO 0.68 -0.07 -0.21 0.08 -0.36 0.00 0.00 175.35 175.46 3mti s VAL 44 N 0.15 2.21 -0.22 4.02 1.01 -0.84 -1.50 120.40 125.23 3mti s VAL 44 Ca -0.01 -0.95 -0.13 0.00 0.00 0.00 0.00 61.98 60.89 3mti s VAL 44 Cb -0.03 -1.87 -0.04 0.00 0.00 0.00 0.00 36.38 34.43 3mti s VAL 44 CO 0.01 0.55 0.29 -0.31 0.00 0.00 0.00 175.10 175.64 3mti s TYR 45 N 0.54 3.35 -0.03 5.22 2.02 -0.60 -1.32 117.35 126.52 3mti s TYR 45 Ca -0.13 0.44 0.06 0.00 -0.37 0.00 0.00 57.07 57.07 3mti s TYR 45 Cb -0.17 -2.41 -0.01 0.00 -0.40 0.00 0.00 41.96 38.97 3mti s TYR 45 CO 0.04 0.02 -0.22 0.00 -1.57 0.00 0.00 175.55 173.82 3mti s ALA 46 N 1.20 1.88 0.07 3.71 0.00 -0.94 0.88 121.76 128.57 3mti s ALA 46 Ca 0.14 -0.93 0.09 0.00 0.00 0.00 0.00 51.96 51.25 3mti s ALA 46 Cb -0.14 -0.53 -0.03 0.00 0.00 0.00 0.00 23.12 22.41 3mti s ALA 46 CO 0.06 0.41 -0.22 -0.06 0.00 0.00 0.00 175.76 175.96 3mti s PHE 47 N -0.33 2.45 0.03 0.00 0.08 -0.33 -0.64 117.98 119.24 3mti s PHE 47 Ca 0.03 -0.32 -0.28 0.00 0.12 0.00 0.00 56.93 56.48 3mti s PHE 47 Cb -0.10 -1.39 0.08 0.00 -0.57 0.00 0.00 43.02 41.03 3mti s PHE 47 CO 0.01 0.25 0.68 0.34 -0.10 0.00 0.00 175.22 176.40 3mti s ASP 48 N -1.59 -0.59 0.00 1.36 -1.08 -0.94 -3.68 116.67 110.15 3mti s ASP 48 Ca 0.14 0.37 0.26 0.00 -0.52 0.00 0.00 52.55 52.80 3mti s ASP 48 Cb -0.10 0.54 0.60 0.00 -1.46 0.00 0.00 42.92 42.50 3mti s ASP 48 CO 0.05 -0.74 1.47 1.33 0.52 0.00 0.00 175.17 177.81 3mti n VAL 49 N 0.32 0.00 -4.76 1.11 0.24 -1.26 -2.14 118.33 111.83 3mti n VAL 49 Ca -0.17 -0.21 -0.33 0.00 -2.04 0.00 0.00 64.34 61.59 3mti n VAL 49 Cb 0.61 0.69 -0.15 0.00 -1.47 0.00 0.00 33.84 33.51 3mti n VAL 49 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 3mti s GLN 50 N -2.36 3.24 0.26 7.34 -0.21 -1.26 -4.96 119.66 121.71 3mti s GLN 50 Ca 0.26 -0.75 -0.01 0.00 0.02 0.00 0.00 55.36 54.88 3mti s GLN 50 Cb 0.19 -2.56 0.55 0.00 1.00 0.00 0.00 33.01 32.19 3mti s GLN 50 CO 0.48 0.12 1.74 1.05 -2.12 0.00 0.00 175.29 176.57 3mti h GLU 51 N 6.96 0.53 -0.65 2.91 -0.00 -2.01 -2.78 114.58 119.54 3mti h GLU 51 Ca -0.27 -0.03 0.08 0.00 -0.00 0.00 0.00 59.36 59.13 3mti h GLU 51 Cb 1.21 -0.12 -0.06 0.00 -0.00 0.00 0.00 28.75 29.78 3mti h GLU 51 CO 0.54 0.35 0.32 -0.56 -0.00 0.00 0.00 179.01 179.67 3mti h GLN 52 N 0.55 0.56 -0.12 1.06 3.07 -2.00 -1.63 115.11 116.59 3mti h GLN 52 Ca 0.47 -0.03 -0.09 0.00 0.09 0.00 0.00 58.65 59.08 3mti h GLN 52 Cb 0.71 -0.13 -0.01 0.00 0.08 0.00 0.00 27.48 28.13 3mti h GLN 52 CO -0.40 0.37 -0.33 0.00 0.09 0.00 0.00 178.83 178.56 3mti h ALA 53 N 1.38 1.22 0.28 0.06 0.00 -1.78 -1.32 119.26 119.10 3mti h ALA 53 Ca 0.31 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3mti h ALA 53 Cb 0.29 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3mti h ALA 53 CO -0.24 0.52 -0.13 -0.07 0.00 0.00 0.00 179.25 179.33 3mti h LEU 54 N 0.21 -0.32 -0.43 0.00 -0.00 -1.26 -1.12 115.31 112.39 3mti h LEU 54 Ca 0.03 -0.05 0.00 0.00 -0.00 0.00 0.00 57.88 57.86 3mti h LEU 54 Cb 0.69 0.08 -0.02 0.00 -0.00 0.00 0.00 40.66 41.41 3mti h LEU 54 CO 0.05 -0.16 0.28 1.23 -0.00 0.00 0.00 178.44 179.84 3mti h GLY 55 N -0.45 0.62 0.99 0.83 0.00 -1.02 0.27 103.07 104.31 3mti h GLY 55 Ca -0.04 -0.25 -0.04 0.00 0.00 0.00 0.00 47.33 47.01 3mti h GLY 55 CO 0.06 0.24 -0.36 0.07 0.00 0.00 0.00 176.54 176.55 3mti h LYS 56 N 0.58 -0.96 -0.67 4.80 5.09 -1.30 -2.44 116.57 121.67 3mti h LYS 56 Ca 0.16 0.07 0.10 0.00 0.09 0.00 0.00 60.65 61.07 3mti h LYS 56 Cb -0.04 0.22 -0.08 0.00 0.10 0.00 0.00 32.23 32.44 3mti h LYS 56 CO -0.03 -0.63 0.28 1.15 -2.09 0.00 0.00 179.45 178.12 3mti h THR 57 N -1.03 0.77 0.46 0.07 2.02 -1.01 -0.92 112.91 113.28 3mti h THR 57 Ca -0.10 -0.16 -0.01 0.00 0.77 0.00 0.00 66.41 66.91 3mti h THR 57 Cb 0.77 0.26 -0.02 0.00 -1.74 0.00 0.00 68.15 67.42 3mti h THR 57 CO 0.17 0.09 -0.43 0.28 0.37 0.00 0.00 175.52 175.99 3mti h SER 58 N 0.47 -1.17 -1.01 4.18 0.02 -0.44 0.10 113.55 115.71 3mti h SER 58 Ca 0.34 0.09 0.11 0.00 -0.84 0.00 0.00 61.79 61.49 3mti h SER 58 Cb 0.43 0.38 -0.08 0.00 0.14 0.00 0.00 62.40 63.27 3mti h SER 58 CO -0.32 -0.60 0.64 -0.61 -1.14 0.00 0.00 176.83 174.81 3mti h GLN 59 N -0.90 1.01 0.40 3.45 -0.00 -1.21 0.33 115.11 118.20 3mti h GLN 59 Ca -0.05 -0.06 -0.02 0.00 -0.00 0.00 0.00 58.65 58.52 3mti h GLN 59 Cb 0.79 -0.23 0.00 0.00 0.00 0.00 0.00 27.48 28.04 3mti h GLN 59 CO -0.05 0.67 -0.19 -0.09 0.00 0.00 0.00 178.83 179.17 3mti h ARG 60 N 1.04 -0.52 -0.52 1.69 2.43 -0.78 0.12 114.38 117.85 3mti h ARG 60 Ca 0.48 0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.67 3mti h ARG 60 Cb 0.41 0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 30.05 3mti h ARG 60 CO -0.24 -0.27 0.23 -0.07 -1.51 0.00 0.00 179.97 178.10 3mti h LEU 61 N -0.67 0.66 -0.65 3.80 3.38 -0.59 -1.90 115.31 119.36 3mti h LEU 61 Ca -0.05 -0.07 0.01 0.00 0.09 0.00 0.00 57.88 57.85 3mti h LEU 61 Cb 0.48 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 3mti h LEU 61 CO 0.09 0.58 0.43 -1.28 0.09 0.00 0.00 178.44 178.35 3mti h SER 62 N 0.73 0.73 0.87 -0.43 0.87 -0.00 0.16 113.55 116.49 3mti h SER 62 Ca 0.18 -0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.71 3mti h SER 62 Cb 0.11 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 61.89 3mti h SER 62 CO -0.02 0.53 -0.07 0.44 -0.53 0.00 0.00 176.83 177.17 3mti h ASP 63 N 0.87 0.00 0.18 6.23 3.32 -0.32 -2.03 116.42 124.67 3mti h ASP 63 Ca 0.24 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.29 3mti h ASP 63 Cb -0.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.46 3mti h ASP 63 CO -0.06 0.07 -0.40 0.18 -1.72 0.00 0.00 179.24 177.31 3mti n LEU 64 N -3.23 1.23 -1.45 1.55 4.77 -0.75 -4.97 117.00 114.15 3mti n LEU 64 Ca -0.00 -0.38 -0.11 0.00 -0.03 0.00 0.00 56.01 55.48 3mti n LEU 64 Cb 0.32 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 3mti n LEU 64 CO 0.29 0.24 -0.09 0.61 -1.33 0.00 0.00 177.39 177.11 3mti n GLY 65 N 1.39 -0.04 3.61 -0.72 0.00 -0.33 -5.01 105.19 104.09 3mti n GLY 65 Ca 0.10 -0.37 -0.40 0.00 0.00 0.00 0.00 46.02 45.35 3mti n GLY 65 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mti s ILE 66 N -2.68 5.10 -0.08 -0.61 1.01 0.43 -4.92 121.20 119.45 3mti s ILE 66 Ca 0.06 0.70 0.08 0.00 0.00 0.00 0.00 60.65 61.49 3mti s ILE 66 Cb -0.03 -3.80 -0.11 0.00 0.01 0.00 0.00 42.46 38.54 3mti s ILE 66 CO 0.08 0.08 0.03 -0.62 0.00 0.00 0.00 174.94 174.51 3mti n GLU 67 N 5.49 2.54 -0.89 2.79 -0.58 -1.26 -4.51 120.64 124.21 3mti n GLU 67 Ca -0.06 -0.01 -0.11 0.00 -0.42 0.00 0.00 57.16 56.56 3mti n GLU 67 Cb 0.50 -1.22 -0.15 0.00 -0.57 0.00 0.00 31.44 30.00 3mti n GLU 67 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 3mti n ASN 68 N -2.30 4.71 -4.16 1.62 2.04 -1.26 -4.80 115.26 111.10 3mti n ASN 68 Ca -0.14 -2.37 -0.10 0.00 -0.44 0.00 0.00 54.58 51.53 3mti n ASN 68 Cb 0.76 -1.26 -0.10 0.00 -2.53 0.00 0.00 39.78 36.65 3mti n ASN 68 CO 0.00 0.00 0.00 0.42 -0.44 0.00 0.00 177.26 177.24 3mti s THR 69 N 1.26 0.64 -0.25 5.53 -4.23 -1.26 -1.99 115.64 115.33 3mti s THR 69 Ca 0.59 -1.88 -0.02 0.00 -1.18 0.00 0.00 61.69 59.20 3mti s THR 69 Cb 0.28 -1.61 0.08 0.00 1.34 0.00 0.00 72.50 72.59 3mti s THR 69 CO -0.00 -0.86 0.07 -0.70 -0.54 0.00 0.00 174.62 172.58 3mti s GLU 70 N -3.74 0.66 -0.13 3.99 2.12 -0.44 -4.95 118.70 116.22 3mti s GLU 70 Ca 0.10 -0.70 -0.22 0.00 0.36 0.00 0.00 54.97 54.51 3mti s GLU 70 Cb 0.05 -1.98 -0.03 0.00 0.26 0.00 0.00 34.13 32.43 3mti s GLU 70 CO -0.05 -0.81 0.65 -0.51 -0.54 0.00 0.00 175.26 174.00 3mti s LEU 71 N 1.78 4.23 -0.14 2.70 1.43 -1.26 -2.20 118.68 125.21 3mti s LEU 71 Ca 0.04 0.99 0.02 0.00 -1.03 0.00 0.00 54.13 54.15 3mti s LEU 71 Cb -0.17 -2.96 0.01 0.00 0.03 0.00 0.00 46.19 43.10 3mti s LEU 71 CO -0.18 -0.18 -0.20 -0.63 0.23 0.00 0.00 176.35 175.39 3mti s ILE 72 N 1.30 1.96 -1.15 -0.59 1.01 0.19 -4.98 121.20 118.95 3mti s ILE 72 Ca 0.32 -0.91 -0.17 0.00 0.00 0.00 0.00 60.65 59.89 3mti s ILE 72 Cb -0.16 -1.75 0.12 0.00 0.01 0.00 0.00 42.46 40.68 3mti s ILE 72 CO 0.13 0.53 1.44 -0.22 0.00 0.00 0.00 174.94 176.83 3mti s LEU 73 N 0.97 4.55 -0.10 2.97 2.96 -1.26 -2.23 118.68 126.54 3mti s LEU 73 Ca -0.04 -2.45 -0.30 0.00 -0.22 0.00 0.00 54.13 51.12 3mti s LEU 73 Cb -0.15 -2.47 0.09 0.00 0.50 0.00 0.00 46.19 44.16 3mti s LEU 73 CO -0.05 -1.02 0.77 -0.62 -1.32 0.00 0.00 176.35 174.12 3mti s ASP 74 N 3.63 -0.59 0.43 3.68 -1.08 -0.91 -4.98 116.67 116.86 3mti s ASP 74 Ca 0.44 0.70 -0.24 0.00 -0.52 0.00 0.00 52.55 52.93 3mti s ASP 74 Cb -0.01 0.56 -0.10 0.00 -1.46 0.00 0.00 42.92 41.91 3mti s ASP 74 CO -0.01 -0.50 1.04 0.61 0.52 0.00 0.00 175.17 176.83 3mti n GLY 75 N 1.04 -0.11 0.09 2.66 0.00 -1.26 -3.72 105.19 103.89 3mti n GLY 75 Ca -0.16 0.13 0.12 0.00 0.00 0.00 0.00 46.02 46.10 3mti n GLY 75 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3mti n HIS 76 N -0.55 0.66 0.33 1.61 1.44 -1.26 -2.55 115.22 114.90 3mti n HIS 76 Ca 0.09 0.24 0.14 0.00 -2.01 0.00 0.00 57.72 56.17 3mti n HIS 76 Cb 0.40 -0.88 0.59 0.00 0.12 0.00 0.00 29.99 30.22 3mti n HIS 76 CO 0.00 0.00 0.00 1.05 -2.81 0.00 0.00 176.34 174.58 3mti h GLU 77 N 0.00 0.00 -0.65 -1.40 9.09 -1.91 -2.16 114.58 117.55 3mti h GLU 77 Ca 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.40 3mti h GLU 77 Cb 0.45 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.55 3mti h GLU 77 CO 0.00 0.00 0.01 0.09 0.05 0.00 0.00 179.01 179.16 3mti n ASN 78 N -2.47 5.01 -0.27 3.06 3.02 -1.06 -4.62 115.26 117.94 3mti n ASN 78 Ca 0.01 -2.80 0.07 0.00 -0.03 0.00 0.00 54.58 51.83 3mti n ASN 78 Cb 0.20 -0.66 0.31 0.00 -0.61 0.00 0.00 39.78 39.02 3mti n ASN 78 CO 0.00 0.00 0.00 0.17 -2.62 0.00 0.00 177.26 174.81 3mti h LEU 79 N 3.35 0.77 -2.07 3.41 8.10 -1.58 -2.69 115.31 124.61 3mti h LEU 79 Ca 0.01 0.02 0.11 0.00 0.11 0.00 0.00 57.88 58.12 3mti h LEU 79 Cb 1.78 -0.14 -0.01 0.00 -0.44 0.00 0.00 40.66 41.84 3mti h LEU 79 CO 0.43 0.46 0.31 -2.24 -4.11 0.00 0.00 178.44 173.29 3mti h ASP 80 N 0.85 0.00 0.33 0.17 -0.00 -1.85 -1.23 116.42 114.70 3mti h ASP 80 Ca 0.40 0.00 -0.12 0.00 -0.00 0.00 0.00 57.03 57.31 3mti h ASP 80 Cb 0.41 0.00 -0.01 0.00 -0.00 0.00 0.00 39.33 39.72 3mti h ASP 80 CO -0.16 0.00 -0.50 0.45 -0.00 0.00 0.00 179.24 179.03 3mti h HIS 81 N 0.00 0.24 0.00 4.15 3.86 -1.85 -3.37 115.15 118.18 3mti h HIS 81 Ca 0.17 -0.08 -0.20 0.00 -1.16 0.00 0.00 60.37 59.11 3mti h HIS 81 Cb 0.80 -0.05 -0.04 0.00 1.06 0.00 0.00 27.41 29.18 3mti h HIS 81 CO 0.00 0.66 -2.11 0.66 0.86 0.00 0.00 177.93 177.99 3mti n TYR 82 N -3.95 0.00 -3.60 2.45 4.01 -0.54 -4.89 117.16 110.64 3mti n TYR 82 Ca -0.02 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.32 3mti n TYR 82 Cb 0.54 -0.72 -0.09 0.00 -0.31 0.00 0.00 39.34 38.75 3mti n TYR 82 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3mti s VAL 83 N -2.80 4.09 -1.61 -0.72 1.01 -0.72 -4.91 120.40 114.73 3mti s VAL 83 Ca -0.08 -1.67 0.23 0.00 0.00 0.00 0.00 61.98 60.46 3mti s VAL 83 Cb 0.08 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.80 3mti s VAL 83 CO 0.77 -0.65 1.13 -2.11 0.00 0.00 0.00 175.10 174.24 3mti n ARG 84 N 4.87 0.70 -2.90 2.72 1.85 -1.26 -4.75 116.66 117.90 3mti n ARG 84 Ca -0.08 -0.55 -0.26 0.00 -1.00 0.00 0.00 57.85 55.96 3mti n ARG 84 Cb 0.42 -1.49 -0.00 0.00 -1.05 0.00 0.00 32.46 30.34 3mti n ARG 84 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 3mti s GLU 85 N -2.68 3.43 0.64 2.89 8.01 -1.26 -5.08 118.70 124.66 3mti s GLU 85 Ca 0.16 -0.06 -0.17 0.00 0.01 0.00 0.00 54.97 54.91 3mti s GLU 85 Cb 0.18 -2.48 -0.01 0.00 -4.31 0.00 0.00 34.13 27.51 3mti s GLU 85 CO 0.66 -0.13 1.19 -2.14 0.01 0.00 0.00 175.26 174.85 3mti s PRO 86 N -4.60 2.73 -0.19 0.39 0.02 -1.26 -4.99 135.00 127.09 3mti s PRO 86 Ca 0.45 1.73 -0.04 0.00 0.02 0.00 0.00 61.00 63.16 3mti s PRO 86 Cb -0.10 -1.91 -0.02 0.00 0.02 0.00 0.00 34.50 32.49 3mti s PRO 86 CO 0.41 -1.37 -0.02 0.42 -0.33 0.00 0.00 177.00 176.11 3mti s ILE 87 N -1.83 3.80 -0.08 2.83 1.01 -0.70 -4.54 121.20 121.70 3mti s ILE 87 Ca 0.75 -0.37 -0.22 0.00 0.00 0.00 0.00 60.65 60.81 3mti s ILE 87 Cb -0.28 -2.71 -0.29 0.00 0.01 0.00 0.00 42.46 39.19 3mti s ILE 87 CO 0.37 0.44 0.79 -0.09 0.00 0.00 0.00 174.94 176.45 3mti h ARG 88 N 7.46 0.23 -3.36 2.79 9.65 -1.16 -1.09 114.38 128.89 3mti h ARG 88 Ca -0.36 -0.39 -0.13 0.00 -1.10 0.00 0.00 59.98 58.00 3mti h ARG 88 Cb 1.18 0.15 -0.20 0.00 -1.39 0.00 0.00 29.97 29.70 3mti h ARG 88 CO 0.61 1.19 -0.42 0.00 2.80 0.00 0.00 179.97 184.15 3mti s ALA 89 N -2.40 -0.47 0.12 2.80 0.00 -1.21 -1.49 121.76 119.11 3mti s ALA 89 Ca -0.16 -0.00 -0.07 0.00 0.00 0.00 0.00 51.96 51.73 3mti s ALA 89 Cb 0.01 0.11 -0.01 0.00 0.00 0.00 0.00 23.12 23.23 3mti s ALA 89 CO 0.79 -0.24 0.18 0.00 0.00 0.00 0.00 175.76 176.49 3mti s ALA 90 N -1.45 0.13 -0.14 0.00 0.00 -0.09 -1.70 121.76 118.51 3mti s ALA 90 Ca -0.14 -0.94 -0.12 0.00 0.00 0.00 0.00 51.96 50.77 3mti s ALA 90 Cb -0.06 0.68 0.04 0.00 0.00 0.00 0.00 23.12 23.78 3mti s ALA 90 CO 0.02 -0.55 0.36 -1.50 0.00 0.00 0.00 175.76 174.10 3mti s ILE 91 N -3.94 -0.01 0.02 0.00 2.07 -0.91 -1.24 121.20 117.19 3mti s ILE 91 Ca 0.13 0.02 0.09 0.00 -1.41 0.00 0.00 60.65 59.48 3mti s ILE 91 Cb 0.05 -0.52 -0.03 0.00 0.13 0.00 0.00 42.46 42.10 3mti s ILE 91 CO -0.04 0.01 -0.25 -0.36 -1.91 0.00 0.00 174.94 172.38 3mti s PHE 92 N 0.39 2.25 -0.27 3.50 0.40 -0.79 -1.30 117.98 122.16 3mti s PHE 92 Ca -0.02 -0.41 -0.01 0.00 -0.60 0.00 0.00 56.93 55.89 3mti s PHE 92 Cb -0.04 -1.38 0.04 0.00 0.51 0.00 0.00 43.02 42.15 3mti s PHE 92 CO -0.02 0.07 -0.04 -0.80 0.70 0.00 0.00 175.22 175.13 3mti s ASN 93 N -1.02 4.55 0.21 1.36 -0.87 -1.26 -4.46 114.94 113.45 3mti s ASN 93 Ca 0.11 -1.05 0.10 0.00 -1.57 0.00 0.00 52.86 50.44 3mti s ASN 93 Cb -0.10 -1.68 -0.04 0.00 -0.02 0.00 0.00 41.25 39.41 3mti s ASN 93 CO 0.01 -0.18 -0.15 -0.76 -2.57 0.00 0.00 177.10 173.45 3mti s LEU 94 N 1.29 2.77 0.00 0.60 1.02 -1.26 -4.94 118.68 118.16 3mti s LEU 94 Ca -0.02 -0.74 0.00 0.00 0.02 0.00 0.00 54.13 53.39 3mti s LEU 94 Cb -0.18 -1.43 0.00 0.00 0.02 0.00 0.00 46.19 44.60 3mti s LEU 94 CO -0.03 0.09 0.00 0.61 0.02 0.00 0.00 176.35 177.04 3mti n GLY 95 N -0.08 1.41 3.70 -3.19 0.00 -1.26 0.06 105.19 105.83 3mti n GLY 95 Ca -0.10 -1.86 -0.42 0.00 0.00 0.00 0.00 46.02 43.63 3mti n GLY 95 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3mti s TYR 96 N 1.81 3.55 -0.34 1.61 5.04 -1.26 -4.56 117.35 123.21 3mti s TYR 96 Ca 0.00 1.61 0.04 0.00 -2.44 0.00 0.00 57.07 56.28 3mti s TYR 96 Cb 0.00 -3.18 0.10 0.00 0.35 0.00 0.00 41.96 39.23 3mti s TYR 96 CO 0.00 -0.21 0.04 -0.51 -1.34 0.00 0.00 175.55 173.54 3mti s LEU 97 N 1.63 4.69 0.18 6.97 1.43 -1.26 -5.10 118.68 127.22 3mti s LEU 97 Ca 0.50 -2.11 -0.32 0.00 -1.03 0.00 0.00 54.13 51.18 3mti s LEU 97 Cb -0.20 -1.63 -0.11 0.00 0.03 0.00 0.00 46.19 44.29 3mti s LEU 97 CO 0.22 -0.37 1.61 -2.16 0.23 0.00 0.00 176.35 175.88 3mti s PRO 98 N 0.92 4.19 0.39 1.29 0.04 -1.26 0.16 135.00 140.72 3mti s PRO 98 Ca 0.10 2.43 -0.27 0.00 0.04 0.00 0.00 61.00 63.30 3mti s PRO 98 Cb -0.19 -3.13 -0.11 0.00 0.04 0.00 0.00 34.50 31.11 3mti s PRO 98 CO -0.08 -0.64 1.30 -1.13 0.04 0.00 0.00 177.00 176.49 3mti n SER 99 N 3.92 2.78 -4.76 6.66 3.41 -0.55 -4.39 113.62 120.70 3mti n SER 99 Ca 0.14 1.16 -0.39 0.00 -0.26 0.00 0.00 58.87 59.52 3mti n SER 99 Cb 0.38 -1.51 0.03 0.00 -0.26 0.00 0.00 64.21 62.85 3mti n SER 99 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3mti s ALA 100 N -1.15 2.97 -0.36 7.33 0.00 -1.26 -4.89 121.76 124.39 3mti s ALA 100 Ca 0.58 1.36 -0.28 0.00 0.00 0.00 0.00 51.96 53.62 3mti s ALA 100 Cb -0.53 -3.57 -0.02 0.00 0.00 0.00 0.00 23.12 19.01 3mti s ALA 100 CO 0.60 -1.29 1.80 -0.51 0.00 0.00 0.00 175.76 176.37 3mti s ASP 101 N -0.82 5.82 0.48 0.00 1.01 -1.26 -4.86 116.67 117.04 3mti s ASP 101 Ca 0.68 1.18 0.33 0.00 0.71 0.00 0.00 52.55 55.44 3mti s ASP 101 Cb -0.41 -2.53 1.51 0.00 1.01 0.00 0.00 42.92 42.50 3mti s ASP 101 CO 0.50 -1.79 1.97 0.11 0.21 0.00 0.00 175.17 176.18 3mti h LYS 102 N 13.12 0.00 -1.65 8.23 1.57 -2.04 -3.53 116.57 132.27 3mti h LYS 102 Ca -0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 3mti h LYS 102 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.48 3mti h LYS 102 CO 1.06 0.00 0.00 0.43 -0.57 0.00 0.00 179.45 180.37 3mti n SER 103 N -2.79 3.64 -2.25 0.86 7.64 -1.26 -5.34 113.62 114.11 3mti n SER 103 Ca -0.00 -1.96 -0.00 0.00 1.01 0.00 0.00 58.87 57.92 3mti n SER 103 Cb 0.20 -0.72 -0.00 0.00 -1.01 0.00 0.00 64.21 62.68 3mti n SER 103 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 3mti n LYS 107 N 1.16 -0.85 -1.68 1.43 0.00 -1.26 -5.28 118.16 111.68 3mti n LYS 107 Ca 0.00 0.67 -0.37 0.00 -0.00 0.00 0.00 58.31 58.61 3mti n LYS 107 Cb 0.42 -1.07 0.06 0.00 -0.00 0.00 0.00 35.03 34.44 3mti n LYS 107 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10 3mti n PRO 108 N 2.08 1.04 -1.57 -1.58 -0.02 -1.26 -4.93 135.00 128.76 3mti n PRO 108 Ca -0.01 0.41 -0.42 0.00 -2.02 0.00 0.00 63.50 61.46 3mti n PRO 108 Cb 0.02 -2.39 0.01 0.00 -0.02 0.00 0.00 33.50 31.12 3mti n PRO 108 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 3mti n HIS 109 N -1.82 0.82 -0.43 6.00 -0.00 -1.26 -4.75 115.22 113.79 3mti n HIS 109 Ca 0.15 0.60 0.36 0.00 -0.00 0.00 0.00 57.72 58.83 3mti n HIS 109 Cb 0.48 -2.18 0.67 0.00 -0.00 0.00 0.00 29.99 28.96 3mti n HIS 109 CO 0.00 0.00 0.00 1.15 -0.00 0.00 0.00 176.34 177.49 3mti h THR 110 N 1.44 0.27 -0.01 3.57 2.02 -1.99 0.16 112.91 118.37 3mti h THR 110 Ca -0.42 -0.04 -0.23 0.00 0.77 0.00 0.00 66.41 66.48 3mti h THR 110 Cb 1.35 0.14 0.01 0.00 -1.74 0.00 0.00 68.15 67.91 3mti h THR 110 CO 0.56 0.02 -0.94 0.74 0.37 0.00 0.00 175.52 176.27 3mti h THR 111 N 0.12 1.37 -0.70 3.16 2.02 -1.98 -2.06 112.91 114.83 3mti h THR 111 Ca 0.72 -2.38 -0.03 0.00 0.77 0.00 0.00 66.41 65.49 3mti h THR 111 Cb 2.44 2.38 -0.03 0.00 -1.74 0.00 0.00 68.15 71.19 3mti h THR 111 CO -0.22 0.72 0.32 -0.07 0.37 0.00 0.00 175.52 176.64 3mti h LEU 112 N 0.27 0.92 -0.74 2.58 -0.00 -1.33 -0.61 115.31 116.41 3mti h LEU 112 Ca -0.09 -0.11 -0.08 0.00 -0.00 0.00 0.00 57.88 57.60 3mti h LEU 112 Cb 1.58 -0.24 -0.02 0.00 -0.00 0.00 0.00 40.66 41.98 3mti h LEU 112 CO 0.17 0.79 0.05 -0.08 -0.00 0.00 0.00 178.44 179.38 3mti h GLU 113 N 1.00 1.02 -0.36 1.13 4.81 -1.30 -1.90 114.58 118.98 3mti h GLU 113 Ca 0.24 -0.28 -0.15 0.00 -0.13 0.00 0.00 59.36 59.04 3mti h GLU 113 Cb 0.13 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 3mti h GLU 113 CO -0.03 0.96 -0.34 0.00 -0.73 0.00 0.00 179.01 178.88 3mti h ALA 114 N 1.10 0.53 0.26 2.92 0.00 -1.03 -2.14 119.26 120.91 3mti h ALA 114 Ca 0.18 -0.43 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 3mti h ALA 114 Cb 0.47 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3mti h ALA 114 CO 0.02 0.60 -0.19 0.82 0.00 0.00 0.00 179.25 180.50 3mti h ILE 115 N 0.67 0.59 -0.97 0.00 2.04 -1.00 0.86 117.51 119.70 3mti h ILE 115 Ca 0.06 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.95 3mti h ILE 115 Cb 0.93 0.59 -0.05 0.00 -0.74 0.00 0.00 36.82 37.54 3mti h ILE 115 CO 0.09 0.00 0.64 -0.08 0.00 0.00 0.00 178.15 178.80 3mti h GLU 116 N -0.45 1.22 -0.27 2.37 4.81 -1.40 0.13 114.58 120.99 3mti h GLU 116 Ca -0.02 -0.07 -0.05 0.00 -0.13 0.00 0.00 59.36 59.09 3mti h GLU 116 Cb 0.39 -0.28 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 3mti h GLU 116 CO -0.00 0.81 -0.05 0.87 -0.73 0.00 0.00 179.01 179.91 3mti h LYS 117 N 1.26 0.41 0.08 1.92 1.57 -1.12 0.36 116.57 121.05 3mti h LYS 117 Ca 0.38 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 59.06 3mti h LYS 117 Cb -0.05 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.20 3mti h LYS 117 CO -0.10 0.48 -0.04 0.82 -0.57 0.00 0.00 179.45 180.04 3mti h ILE 118 N 0.40 1.15 -0.42 1.86 1.08 0.84 -2.92 117.51 119.51 3mti h ILE 118 Ca 0.08 -0.86 0.04 0.00 -0.39 0.00 0.00 64.86 63.74 3mti h ILE 118 Cb 0.34 1.70 -0.04 0.00 -3.07 0.00 0.00 36.82 35.75 3mti h ILE 118 CO 0.01 0.21 0.19 -0.07 -0.69 0.00 0.00 178.15 177.80 3mti h LEU 119 N -0.50 0.26 -1.27 1.44 3.38 -0.56 0.30 115.31 118.36 3mti h LEU 119 Ca -0.01 0.03 0.18 0.00 0.09 0.00 0.00 57.88 58.17 3mti h LEU 119 Cb 0.42 -0.01 -0.08 0.00 0.09 0.00 0.00 40.66 41.08 3mti h LEU 119 CO 0.02 0.19 0.60 0.44 0.09 0.00 0.00 178.44 179.78 3mti h ASP 120 N 0.38 0.61 0.10 -0.43 3.32 -1.00 -2.81 116.42 116.60 3mti h ASP 120 Ca 0.18 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.29 3mti h ASP 120 Cb 0.12 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.61 3mti h ASP 120 CO -0.15 0.26 -0.32 0.54 -1.72 0.00 0.00 179.24 177.85 3mti n ARG 121 N -4.61 1.13 -2.22 3.56 1.74 -0.08 -4.95 116.66 111.23 3mti n ARG 121 Ca 0.20 -0.81 -0.41 0.00 -0.77 0.00 0.00 57.85 56.07 3mti n ARG 121 Cb 0.59 -1.48 -0.03 0.00 -1.02 0.00 0.00 32.46 30.52 3mti n ARG 121 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3mti s LEU 122 N -2.43 4.46 0.90 0.55 1.43 -0.19 -1.72 118.68 121.69 3mti s LEU 122 Ca 0.23 2.57 -0.11 0.00 -1.03 0.00 0.00 54.13 55.79 3mti s LEU 122 Cb 0.19 -3.64 0.13 0.00 0.03 0.00 0.00 46.19 42.90 3mti s LEU 122 CO 0.52 -0.42 1.12 -1.61 0.23 0.00 0.00 176.35 176.19 3mti s GLU 123 N -1.69 1.18 0.20 1.70 2.02 -0.41 -4.81 118.70 116.88 3mti s GLU 123 Ca 0.48 1.32 -0.30 0.00 0.02 0.00 0.00 54.97 56.48 3mti s GLU 123 Cb -0.37 -1.76 -0.09 0.00 0.10 0.00 0.00 34.13 32.00 3mti s GLU 123 CO 0.49 -2.44 1.33 0.08 0.02 0.00 0.00 175.26 174.74 3mti s VAL 124 N -2.73 3.17 0.00 2.63 1.01 -1.26 -1.48 120.40 121.74 3mti s VAL 124 Ca 0.65 0.95 0.00 0.00 0.00 0.00 0.00 61.98 63.59 3mti s VAL 124 Cb -0.21 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.56 3mti s VAL 124 CO 0.58 0.14 0.00 0.61 0.00 0.00 0.00 175.10 176.43 3mti n GLY 125 N 2.42 2.41 3.76 4.51 0.00 -0.49 -5.02 105.19 112.79 3mti n GLY 125 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 3mti n GLY 125 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3mti s GLY 126 N -2.02 1.66 0.05 -0.02 0.00 -0.55 -4.75 107.32 101.69 3mti s GLY 126 Ca 0.00 0.17 0.03 0.00 0.00 0.00 0.00 44.72 44.93 3mti s GLY 126 CO 0.00 0.54 -0.10 0.50 0.00 0.00 0.00 173.10 174.04 3mti s ARG 127 N -4.93 0.64 -0.15 2.90 0.52 -0.56 -1.68 118.95 115.69 3mti s ARG 127 Ca 0.61 -0.80 -0.00 0.00 -0.52 0.00 0.00 55.73 55.02 3mti s ARG 127 Cb -0.17 -0.50 0.04 0.00 0.52 0.00 0.00 34.95 34.83 3mti s ARG 127 CO 0.56 0.10 -0.07 -1.17 0.02 0.00 0.00 175.30 174.75 3mti s LEU 128 N -1.56 1.54 -0.21 2.53 2.96 -0.35 -0.91 118.68 122.67 3mti s LEU 128 Ca -0.06 -0.57 -0.13 0.00 -0.22 0.00 0.00 54.13 53.14 3mti s LEU 128 Cb -0.10 -0.92 -0.04 0.00 0.50 0.00 0.00 46.19 45.63 3mti s LEU 128 CO 0.01 -0.16 0.28 0.00 -1.32 0.00 0.00 176.35 175.16 3mti s ALA 129 N 1.63 3.59 0.54 5.97 0.00 -0.37 -0.97 121.76 132.15 3mti s ALA 129 Ca 0.02 -0.68 0.02 0.00 0.00 0.00 0.00 51.96 51.31 3mti s ALA 129 Cb -0.14 -2.46 0.02 0.00 0.00 0.00 0.00 23.12 20.53 3mti s ALA 129 CO -0.08 -0.20 0.14 -0.89 0.00 0.00 0.00 175.76 174.73 3mti n ILE 130 N 4.21 0.00 0.00 0.00 5.41 0.39 -1.88 119.36 127.49 3mti n ILE 130 Ca -0.12 -2.39 0.00 0.00 1.00 0.00 0.00 62.75 61.25 3mti n ILE 130 Cb 0.52 0.32 0.00 0.00 -0.71 0.00 0.00 39.64 39.77 3mti n ILE 130 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 3mti n ILE 132 N -1.48 0.00 -3.82 1.39 5.41 -0.12 -0.41 119.36 120.33 3mti n ILE 132 Ca -0.15 0.00 -0.29 0.00 1.00 0.00 0.00 62.75 63.31 3mti n ILE 132 Cb 0.65 0.00 -0.16 0.00 -0.71 0.00 0.00 39.64 39.43 3mti n ILE 132 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 176.55 176.08 3mti s TYR 133 N 0.00 1.80 0.03 1.39 6.04 0.11 -1.25 117.35 125.46 3mti s TYR 133 Ca 0.00 -1.49 -0.27 0.00 0.04 0.00 0.00 57.07 55.36 3mti s TYR 133 Cb 0.00 -1.47 -0.17 0.00 -1.04 0.00 0.00 41.96 39.28 3mti s TYR 133 CO 0.00 -0.75 1.33 1.88 -1.54 0.00 0.00 175.55 176.47 3mti h TYR 134 N 8.07 -0.52 -0.26 4.97 0.05 -1.85 -3.38 116.97 124.05 3mti h TYR 134 Ca -0.16 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.61 3mti h TYR 134 Cb 1.07 0.17 0.00 0.00 1.01 0.00 0.00 36.73 38.98 3mti h TYR 134 CO 0.39 -0.21 0.00 0.41 -1.05 0.00 0.00 178.16 177.70 3mti n GLY 135 N -0.64 -1.51 0.32 3.88 0.00 -1.26 -3.99 105.19 101.99 3mti n GLY 135 Ca -0.10 -1.29 0.04 0.00 0.00 0.00 0.00 46.02 44.66 3mti n GLY 135 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 3mti h HIS 136 N 0.00 -0.41 -0.84 1.61 -0.00 -1.94 -0.32 115.15 113.25 3mti h HIS 136 Ca 0.00 0.08 0.21 0.00 -0.00 0.00 0.00 60.37 60.65 3mti h HIS 136 Cb 0.00 0.32 -0.05 0.00 -0.00 0.00 0.00 27.41 27.68 3mti h HIS 136 CO 0.00 -0.37 0.57 -0.44 -0.00 0.00 0.00 177.93 177.70 3mti h ASP 137 N 0.01 0.24 -4.44 3.10 3.45 -1.99 -3.48 116.42 113.31 3mti h ASP 137 Ca 0.43 0.02 0.00 0.00 0.43 0.00 0.00 57.03 57.91 3mti h ASP 137 Cb 0.68 -0.02 0.00 0.00 -0.56 0.00 0.00 39.33 39.42 3mti h ASP 137 CO -0.88 0.10 0.00 0.61 -1.57 0.00 0.00 179.24 177.50 3mti n GLY 138 N -1.59 -0.48 3.84 2.75 0.00 -0.13 -5.13 105.19 104.45 3mti n GLY 138 Ca 0.17 -1.63 -0.02 0.00 0.00 0.00 0.00 46.02 44.54 3mti n GLY 138 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3mti s GLY 139 N -2.16 -0.05 0.00 -0.02 0.00 -1.26 -4.84 107.32 98.99 3mti s GLY 139 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 44.72 44.64 3mti s GLY 139 CO 0.00 2.12 0.00 1.34 0.00 0.00 0.00 173.10 176.56 3mti n ASP 140 N -0.97 0.43 0.00 1.64 4.64 -1.26 -5.09 116.55 115.94 3mti n ASP 140 Ca -0.03 -0.95 0.00 0.00 -1.38 0.00 0.00 54.79 52.43 3mti n ASP 140 Cb 0.60 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.68 3mti n ASP 140 CO 0.00 0.00 0.00 -0.62 -0.82 0.00 0.00 177.20 175.76 3mti n GLU 142 N 0.00 0.00 -2.55 -0.67 1.02 -1.26 -2.92 120.64 114.26 3mti n GLU 142 Ca 0.00 0.00 -0.21 0.00 -0.02 0.00 0.00 57.16 56.93 3mti n GLU 142 Cb 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 31.44 31.43 3mti n GLU 142 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3mti n LYS 143 N 0.00 2.62 -3.86 3.49 5.02 -1.26 -5.04 118.16 119.14 3mti n LYS 143 Ca 0.00 -4.08 -0.36 0.00 -2.02 0.00 0.00 58.31 51.86 3mti n LYS 143 Cb 0.00 -1.90 -0.13 0.00 -0.02 0.00 0.00 35.03 32.98 3mti n LYS 143 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3mti s ASP 144 N -3.39 4.61 0.21 4.39 2.15 -1.15 -1.48 116.67 122.02 3mti s ASP 144 Ca 0.41 -0.32 -0.10 0.00 0.43 0.00 0.00 52.55 52.97 3mti s ASP 144 Cb 0.42 -1.81 0.16 0.00 -0.30 0.00 0.00 42.92 41.39 3mti s ASP 144 CO -0.11 -0.02 1.87 0.00 -0.17 0.00 0.00 175.17 176.74 3mti h ALA 145 N 8.14 0.98 0.03 3.66 0.00 -0.49 0.49 119.26 132.05 3mti h ALA 145 Ca -0.40 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 3mti h ALA 145 Cb 1.17 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.64 3mti h ALA 145 CO 0.59 0.42 -0.01 0.28 0.00 0.00 0.00 179.25 180.53 3mti h VAL 146 N 1.05 1.10 -0.48 0.00 2.07 -1.95 -1.46 116.25 116.58 3mti h VAL 146 Ca 0.28 -0.40 0.02 0.00 0.82 0.00 0.00 66.70 67.42 3mti h VAL 146 Cb -0.09 1.37 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 3mti h VAL 146 CO -0.06 0.10 0.29 -0.07 0.02 0.00 0.00 177.57 177.86 3mti h LEU 147 N -0.21 0.48 -0.74 2.57 3.38 -1.88 -0.33 115.31 118.59 3mti h LEU 147 Ca -0.00 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.01 3mti h LEU 147 Cb 0.19 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 40.79 3mti h LEU 147 CO 0.01 0.34 0.46 -0.33 0.09 0.00 0.00 178.44 179.01 3mti h GLU 148 N 0.59 0.86 -0.31 1.13 5.08 -0.80 -0.09 114.58 121.04 3mti h GLU 148 Ca 0.19 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.47 3mti h GLU 148 Cb 0.00 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.05 3mti h GLU 148 CO -0.08 0.57 0.08 -0.92 -1.00 0.00 0.00 179.01 177.66 3mti h TYR 149 N 0.88 0.51 -0.20 4.33 5.03 -0.62 -2.58 116.97 124.33 3mti h TYR 149 Ca 0.31 -0.06 -0.03 0.00 2.58 0.00 0.00 58.73 61.53 3mti h TYR 149 Cb 0.06 -0.15 -0.01 0.00 1.55 0.00 0.00 36.73 38.19 3mti h TYR 149 CO -0.04 0.54 0.00 0.28 -1.32 0.00 0.00 178.16 177.62 3mti h VAL 150 N 0.34 1.25 -0.73 1.81 2.07 -0.59 -2.67 116.25 117.73 3mti h VAL 150 Ca 0.10 -0.86 0.15 0.00 0.82 0.00 0.00 66.70 66.91 3mti h VAL 150 Cb 0.28 1.43 -0.10 0.00 -1.52 0.00 0.00 31.29 31.38 3mti h VAL 150 CO -0.00 0.26 0.20 0.40 0.02 0.00 0.00 177.57 178.46 3mti h ILE 151 N 0.11 0.56 0.00 4.57 2.04 -1.06 -1.56 117.51 122.17 3mti h ILE 151 Ca 0.06 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.81 3mti h ILE 151 Cb 0.39 0.22 0.00 0.00 -0.74 0.00 0.00 36.82 36.69 3mti h ILE 151 CO 0.01 0.06 0.00 0.61 0.00 0.00 0.00 178.15 178.83 3mti n GLY 152 N -1.34 -0.88 3.77 5.37 0.00 -0.97 -4.83 105.19 106.30 3mti n GLY 152 Ca 0.14 -0.07 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 3mti n GLY 152 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mti s LEU 153 N -2.67 4.10 -0.25 0.99 1.43 -0.59 -4.95 118.68 116.75 3mti s LEU 153 Ca 0.14 2.38 -0.29 0.00 -1.03 0.00 0.00 54.13 55.32 3mti s LEU 153 Cb 0.11 -4.12 -0.02 0.00 0.03 0.00 0.00 46.19 42.19 3mti s LEU 153 CO 0.26 -0.84 1.64 -0.62 0.23 0.00 0.00 176.35 177.03 3mti s ASP 154 N -1.18 6.28 0.27 2.29 -1.08 -1.26 -4.88 116.67 117.10 3mti s ASP 154 Ca 0.60 1.53 0.15 0.00 -0.52 0.00 0.00 52.55 54.31 3mti s ASP 154 Cb -0.31 -2.53 0.82 0.00 -1.46 0.00 0.00 42.92 39.43 3mti s ASP 154 CO 0.38 -1.35 1.41 0.00 0.52 0.00 0.00 175.17 176.13 3mti n GLN 155 N 7.83 0.10 0.13 4.34 10.64 -1.26 -0.60 117.38 138.56 3mti n GLN 155 Ca 0.19 0.58 0.12 0.00 -1.83 0.00 0.00 57.00 56.06 3mti n GLN 155 Cb 0.46 -1.95 0.06 0.00 -0.86 0.00 0.00 30.24 27.95 3mti n GLN 155 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 3mti h ARG 156 N 0.00 0.00 0.00 2.61 3.08 -2.02 -3.36 114.38 114.69 3mti h ARG 156 Ca 0.00 0.00 -0.36 0.00 0.07 0.00 0.00 59.98 59.69 3mti h ARG 156 Cb 0.25 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.23 3mti h ARG 156 CO 0.00 0.00 -2.34 0.28 -1.07 0.00 0.00 179.97 176.84 3mti n VAL 157 N -2.74 1.35 -4.15 2.04 0.31 0.23 -4.60 118.33 110.76 3mti n VAL 157 Ca 0.01 -0.64 -0.16 0.00 -0.01 0.00 0.00 64.34 63.54 3mti n VAL 157 Cb 0.54 -1.00 -0.13 0.00 -0.91 0.00 0.00 33.84 32.34 3mti n VAL 157 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 3mti s PHE 158 N -2.47 0.78 -0.19 3.52 0.08 -0.45 -0.13 117.98 119.12 3mti s PHE 158 Ca -0.23 -0.37 -0.05 0.00 0.12 0.00 0.00 56.93 56.40 3mti s PHE 158 Cb 0.07 -0.47 -0.03 0.00 -0.57 0.00 0.00 43.02 42.03 3mti s PHE 158 CO 0.65 -0.03 0.01 0.99 -0.10 0.00 0.00 175.22 176.73 3mti s THR 159 N -0.96 4.07 0.39 0.64 2.01 -0.84 -4.09 115.64 116.86 3mti s THR 159 Ca -0.04 -0.28 0.06 0.00 0.31 0.00 0.00 61.69 61.74 3mti s THR 159 Cb -0.08 -2.83 -0.07 0.00 0.01 0.00 0.00 72.50 69.53 3mti s THR 159 CO 0.01 0.44 0.02 0.00 -0.69 0.00 0.00 174.62 174.40 3mti s ALA 160 N 0.84 3.01 -0.13 7.40 0.00 -1.26 -1.43 121.76 130.20 3mti s ALA 160 Ca 0.01 -2.19 -0.06 0.00 0.00 0.00 0.00 51.96 49.72 3mti s ALA 160 Cb -0.14 0.28 0.05 0.00 0.00 0.00 0.00 23.12 23.31 3mti s ALA 160 CO 0.02 -0.16 0.30 -1.17 0.00 0.00 0.00 175.76 174.75 3mti s LEU 162 N -3.66 0.21 -0.22 0.00 2.96 -1.26 -5.02 118.68 111.68 3mti s LEU 162 Ca 0.34 0.65 0.01 0.00 -0.22 0.00 0.00 54.13 54.91 3mti s LEU 162 Cb 0.09 0.93 0.06 0.00 0.50 0.00 0.00 46.19 47.77 3mti s LEU 162 CO 0.17 -0.18 -0.06 -0.47 -1.32 0.00 0.00 176.35 174.49 3mti s TYR 163 N 1.37 2.34 -0.09 5.38 5.04 -0.46 -5.03 117.35 125.90 3mti s TYR 163 Ca -0.09 -1.67 -0.10 0.00 -2.44 0.00 0.00 57.07 52.77 3mti s TYR 163 Cb -0.10 -1.56 0.02 0.00 0.35 0.00 0.00 41.96 40.67 3mti s TYR 163 CO -0.10 -0.76 0.27 1.14 -1.34 0.00 0.00 175.55 174.76 3mti s GLN 164 N 1.42 0.36 0.27 4.97 -2.07 -1.26 -1.09 119.66 122.25 3mti s GLN 164 Ca -0.05 0.28 -0.30 0.00 -1.82 0.00 0.00 55.36 53.48 3mti s GLN 164 Cb -0.18 0.17 -0.10 0.00 -1.09 0.00 0.00 33.01 31.81 3mti s GLN 164 CO -0.07 -0.06 1.38 -2.14 -1.32 0.00 0.00 175.29 173.09 3mti s PRO 165 N -0.07 4.31 -0.12 9.60 0.02 -1.26 -4.95 135.00 142.52 3mti s PRO 165 Ca -0.02 2.25 0.19 0.00 0.02 0.00 0.00 61.00 63.44 3mti s PRO 165 Cb -0.03 -3.11 -0.26 0.00 0.02 0.00 0.00 34.50 31.12 3mti s PRO 165 CO 0.01 -0.33 0.29 1.28 -0.33 0.00 0.00 177.00 177.91 3mti n LEU 166 N 1.91 0.11 -0.74 -5.54 4.77 -1.26 -4.72 117.00 111.53 3mti n LEU 166 Ca 0.05 0.05 0.06 0.00 -0.03 0.00 0.00 56.01 56.13 3mti n LEU 166 Cb 0.41 0.30 0.14 0.00 -2.33 0.00 0.00 43.42 41.94 3mti n LEU 166 CO 0.60 0.31 0.31 -0.46 -1.33 0.00 0.00 177.39 176.82 3mti n ASN 167 N -2.63 1.52 -4.82 -1.43 2.04 -1.26 -5.02 115.26 103.67 3mti n ASN 167 Ca -0.22 -3.22 -0.35 0.00 -0.44 0.00 0.00 54.58 50.36 3mti n ASN 167 Cb 0.95 -0.44 -0.07 0.00 -2.53 0.00 0.00 39.78 37.69 3mti n ASN 167 CO 0.00 0.00 0.00 -1.10 -0.44 0.00 0.00 177.26 175.72 3mti s GLN 168 N -2.21 3.24 -0.05 -3.83 -0.21 -1.26 -5.04 119.66 110.30 3mti s GLN 168 Ca 0.34 -0.32 -0.08 0.00 0.02 0.00 0.00 55.36 55.33 3mti s GLN 168 Cb 0.34 -3.00 -0.04 0.00 1.00 0.00 0.00 33.01 31.31 3mti s GLN 168 CO -0.08 0.71 0.37 0.97 -2.12 0.00 0.00 175.29 175.14 3mti h ILE 169 N 3.60 0.00 -3.18 1.08 6.09 -2.01 -3.40 117.51 119.70 3mti h ILE 169 Ca -0.51 -0.60 -0.54 0.00 -1.37 0.00 0.00 64.86 61.84 3mti h ILE 169 Cb 1.20 0.00 0.00 0.00 0.47 0.00 0.00 36.82 38.49 3mti h ILE 169 CO 0.60 0.00 0.58 0.20 -3.07 0.00 0.00 178.15 176.46 3mti s ASN 170 N -4.68 7.08 -0.30 2.19 -0.87 -1.26 -4.95 114.94 112.15 3mti s ASN 170 Ca -0.04 1.99 -0.27 0.00 -1.57 0.00 0.00 52.86 52.96 3mti s ASN 170 Cb 0.00 -2.58 -0.06 0.00 -0.02 0.00 0.00 41.25 38.60 3mti s ASN 170 CO 0.12 -0.48 2.28 1.07 -2.57 0.00 0.00 177.10 177.52 3mti n THR 171 N 4.01 0.22 -1.94 1.60 5.66 -1.26 -4.98 114.28 117.59 3mti n THR 171 Ca 0.09 -0.56 -0.29 0.00 -3.05 0.00 0.00 64.05 60.24 3mti n THR 171 Cb 0.46 -2.64 0.10 0.00 -1.55 0.00 0.00 70.33 66.70 3mti n THR 171 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 3mti s PRO 172 N 6.93 1.85 0.61 1.09 0.04 -1.26 -4.52 135.00 139.74 3mti s PRO 172 Ca 1.00 0.01 -0.17 0.00 0.04 0.00 0.00 61.00 61.88 3mti s PRO 172 Cb -0.29 -1.97 -0.03 0.00 0.04 0.00 0.00 34.50 32.26 3mti s PRO 172 CO 0.33 -1.64 1.14 -2.14 0.04 0.00 0.00 177.00 174.73 3mti s PRO 173 N -5.57 3.00 0.24 0.56 0.02 -1.26 -4.75 135.00 127.23 3mti s PRO 173 Ca 0.63 1.58 0.09 0.00 0.02 0.00 0.00 61.00 63.32 3mti s PRO 173 Cb -0.10 -1.96 -0.05 0.00 0.02 0.00 0.00 34.50 32.41 3mti s PRO 173 CO 0.49 -1.13 -0.15 -0.59 -0.33 0.00 0.00 177.00 175.29 3mti s PHE 174 N -1.96 1.91 -0.06 6.54 -0.12 -0.38 -4.58 117.98 119.32 3mti s PHE 174 Ca 0.72 -0.52 0.06 0.00 -0.05 0.00 0.00 56.93 57.13 3mti s PHE 174 Cb -0.24 -0.90 -0.01 0.00 -0.63 0.00 0.00 43.02 41.24 3mti s PHE 174 CO 0.34 0.45 -0.23 -1.17 -0.05 0.00 0.00 175.22 174.57 3mti s LEU 175 N -3.39 2.20 0.00 -1.99 2.96 -0.25 -0.94 118.68 117.27 3mti s LEU 175 Ca 0.26 -0.45 0.04 0.00 -0.22 0.00 0.00 54.13 53.75 3mti s LEU 175 Cb -0.01 -1.41 0.04 0.00 0.50 0.00 0.00 46.19 45.31 3mti s LEU 175 CO 0.10 0.26 0.33 0.52 -1.32 0.00 0.00 176.35 176.24 3mti n VAL 176 N 2.84 0.00 0.00 1.68 0.31 0.45 -1.35 118.33 122.27 3mti n VAL 176 Ca -0.17 -1.25 0.00 0.00 -0.01 0.00 0.00 64.34 62.91 3mti n VAL 176 Cb 0.52 -0.40 0.00 0.00 -0.91 0.00 0.00 33.84 33.05 3mti n VAL 176 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3mti n LEU 178 N 0.00 0.00 -4.13 7.52 4.77 -0.14 -0.46 117.00 124.56 3mti n LEU 178 Ca 0.03 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.78 3mti n LEU 178 Cb 0.37 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.31 3mti n LEU 178 CO 0.23 0.00 -0.48 -0.70 -1.33 0.00 0.00 177.39 175.11 3mti s GLU 179 N -0.40 1.18 -0.06 3.23 2.12 -0.51 -1.22 118.70 123.05 3mti s GLU 179 Ca 0.00 -0.57 -0.26 0.00 0.36 0.00 0.00 54.97 54.51 3mti s GLU 179 Cb 0.00 -1.15 -0.03 0.00 0.26 0.00 0.00 34.13 33.21 3mti s GLU 179 CO 0.00 0.31 0.81 0.21 -0.54 0.00 0.00 175.26 176.05 3mti s LYS 180 N -0.45 4.46 -0.11 4.30 2.20 -0.67 -1.98 119.74 127.49 3mti s LYS 180 Ca 0.05 1.08 0.13 0.00 -0.36 0.00 0.00 55.97 56.87 3mti s LYS 180 Cb -0.06 -3.47 -0.24 0.00 -1.51 0.00 0.00 37.83 32.56 3mti s LYS 180 CO -0.00 -0.02 0.41 1.28 -0.36 0.00 0.00 175.35 176.65 3mti n LEU 181 N 4.00 0.75 0.00 5.43 4.77 0.82 -1.39 117.00 131.38 3mti n LEU 181 Ca 0.02 0.24 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 3mti n LEU 181 Cb 0.51 0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.77 3mti n LEU 181 CO 0.49 0.47 0.00 0.00 -1.33 0.00 0.00 177.39 177.02