#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 5.14 -0.12 0.00 2.07 -1.26 -5.23 121.20 121.81 3mti s ILE 2 Ca 0.00 1.08 -0.30 0.00 -1.41 0.00 0.00 60.65 60.02 3mti s ILE 2 Cb 0.00 -3.88 -0.01 0.00 0.13 0.00 0.00 42.46 38.70 3mti s ILE 2 CO 0.00 0.28 1.04 -0.54 -1.91 0.00 0.00 174.94 173.81 3mti s LYS 3 N 0.87 4.39 0.64 3.50 1.02 -1.26 -5.04 119.74 123.86 3mti s LYS 3 Ca 0.28 1.43 -0.18 0.00 0.02 0.00 0.00 55.97 57.53 3mti s LYS 3 Cb -0.16 -3.56 -0.01 0.00 -0.52 0.00 0.00 37.83 33.58 3mti s LYS 3 CO 0.12 -0.38 1.27 1.03 -0.92 0.00 0.00 175.35 176.47 3mti s ARG 4 N 2.22 2.60 0.30 1.68 0.52 -1.26 -4.91 118.95 120.09 3mti s ARG 4 Ca 0.49 1.99 0.03 0.00 -0.52 0.00 0.00 55.73 57.72 3mti s ARG 4 Cb -0.19 -1.86 0.75 0.00 0.52 0.00 0.00 34.95 34.17 3mti s ARG 4 CO 0.17 -1.54 1.63 -1.35 0.02 0.00 0.00 175.30 174.23 3mti h PRO 5 N 0.54 0.16 -0.61 3.54 0.11 -1.90 -0.19 132.00 133.65 3mti h PRO 5 Ca -0.51 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.56 3mti h PRO 5 Cb 1.33 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.37 3mti h PRO 5 CO 0.53 0.10 0.26 0.97 -0.21 0.00 0.00 178.00 179.65 3mti h ILE 6 N 0.16 1.23 0.00 4.15 2.10 -1.94 0.12 117.51 123.32 3mti h ILE 6 Ca 0.58 -0.69 0.00 0.00 1.08 0.00 0.00 64.86 65.82 3mti h ILE 6 Cb 1.19 0.55 0.00 0.00 -1.09 0.00 0.00 36.82 37.47 3mti h ILE 6 CO -0.71 0.27 0.00 1.41 -1.08 0.00 0.00 178.15 178.05 3mti n HIS 7 N -4.47 0.00 0.00 2.19 -0.00 -0.09 -1.53 115.22 111.33 3mti n HIS 7 Ca 0.04 -0.03 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 3mti n HIS 7 Cb 0.16 -0.06 0.00 0.00 -0.00 0.00 0.00 29.99 30.09 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 0.62 0.00 -0.13 0.41 3.41 0.40 -1.47 113.62 116.86 3mti n SER 9 Ca 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.52 3mti n SER 9 Cb 0.06 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.00 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 0.59 -0.31 7.33 3.86 -1.53 -1.62 115.15 123.47 3mti h HIS 10 Ca 0.00 -0.05 -0.18 0.00 -1.16 0.00 0.00 60.37 58.98 3mti h HIS 10 Cb 0.00 -0.18 -0.00 0.00 1.06 0.00 0.00 27.41 28.29 3mti h HIS 10 CO 0.00 0.54 -0.50 -0.44 0.86 0.00 0.00 177.93 178.38 3mti h ASP 11 N 0.47 0.98 -0.52 2.45 5.19 -1.52 -0.83 116.42 122.64 3mti h ASP 11 Ca 0.13 -0.50 0.09 0.00 -0.62 0.00 0.00 57.03 56.12 3mti h ASP 11 Cb 0.20 -0.28 -0.07 0.00 0.18 0.00 0.00 39.33 39.36 3mti h ASP 11 CO -0.01 1.30 0.10 0.15 -3.12 0.00 0.00 179.24 177.67 3mti h PHE 12 N 0.69 0.16 0.09 4.55 3.57 -1.78 -0.82 116.94 123.41 3mti h PHE 12 Ca 0.03 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.55 3mti h PHE 12 Cb 1.11 0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.85 3mti h PHE 12 CO 0.07 -0.01 -0.04 -0.07 -2.23 0.00 0.00 178.31 176.02 3mti h LEU 13 N 0.24 -0.10 -1.38 0.59 3.38 -1.23 -3.23 115.31 113.59 3mti h LEU 13 Ca 0.26 -0.33 0.22 0.00 0.09 0.00 0.00 57.88 58.13 3mti h LEU 13 Cb 0.36 0.03 -0.08 0.00 0.09 0.00 0.00 40.66 41.06 3mti h LEU 13 CO -0.34 0.29 0.63 0.00 0.09 0.00 0.00 178.44 179.10 3mti h ALA 14 N 0.36 2.13 -0.40 1.53 0.00 -0.84 -2.28 119.26 119.76 3mti h ALA 14 Ca -0.01 0.04 0.12 0.00 0.00 0.00 0.00 54.91 55.06 3mti h ALA 14 Cb 0.42 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3mti h ALA 14 CO 0.02 -0.47 0.33 1.49 0.00 0.00 0.00 179.25 180.62 3mti h GLU 15 N 0.46 0.00 -0.22 0.00 4.81 -1.17 -1.84 114.58 116.63 3mti h GLU 15 Ca 0.53 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.76 3mti h GLU 15 Cb 1.24 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.62 3mti h GLU 15 CO -0.25 0.00 0.00 1.33 -0.73 0.00 0.00 179.01 179.36 3mti n VAL 16 N -4.14 0.72 -3.46 0.32 0.24 -0.86 -5.03 118.33 106.12 3mti n VAL 16 Ca 0.07 -0.86 -0.30 0.00 -2.04 0.00 0.00 64.34 61.21 3mti n VAL 16 Cb 0.52 0.70 -0.04 0.00 -1.47 0.00 0.00 33.84 33.55 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 -0.94 4.14 0.00 1.34 1.43 -0.69 -4.98 118.68 118.97 3mti s LEU 17 Ca 0.17 0.71 -0.03 0.00 -1.03 0.00 0.00 54.13 53.95 3mti s LEU 17 Cb 0.10 -3.49 0.01 0.00 0.03 0.00 0.00 46.19 42.84 3mti s LEU 17 CO 0.13 -0.10 0.41 -0.90 0.23 0.00 0.00 176.35 176.12 3mti n ASP 18 N -0.52 -1.17 0.00 2.29 5.68 -1.24 -5.02 116.55 116.56 3mti n ASP 18 Ca -0.02 -2.39 0.08 0.00 -0.50 0.00 0.00 54.79 51.97 3mti n ASP 18 Cb 0.53 2.11 0.41 0.00 -1.14 0.00 0.00 41.12 43.03 3mti n ASP 18 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 3mti n ASP 19 N -1.68 0.00 -0.56 -1.12 5.68 -1.26 -1.95 116.55 115.66 3mti n ASP 19 Ca -0.01 0.11 0.12 0.00 -0.50 0.00 0.00 54.79 54.51 3mti n ASP 19 Cb 0.44 -0.31 0.22 0.00 -1.14 0.00 0.00 41.12 40.34 3mti n ASP 19 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3mti n GLU 20 N -1.31 1.53 -2.78 0.11 -0.58 -1.26 -3.28 120.64 113.07 3mti n GLU 20 Ca 0.07 -1.13 -0.40 0.00 -0.42 0.00 0.00 57.16 55.28 3mti n GLU 20 Cb 0.14 -1.48 -0.05 0.00 -0.57 0.00 0.00 31.44 29.48 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 -2.25 7.53 -0.15 1.62 0.01 -0.82 -4.69 113.70 114.94 3mti s SER 21 Ca 0.27 1.82 -0.15 0.00 1.31 0.00 0.00 55.95 59.20 3mti s SER 21 Cb 0.19 -2.58 -0.05 0.00 0.21 0.00 0.00 66.02 63.80 3mti s SER 21 CO 0.44 0.06 0.33 -0.63 0.41 0.00 0.00 173.24 173.84 3mti s ILE 22 N -0.59 5.28 -0.01 1.44 -1.09 -1.26 -0.47 121.20 124.49 3mti s ILE 22 Ca 0.43 0.63 0.08 0.00 -2.23 0.00 0.00 60.65 59.56 3mti s ILE 22 Cb -0.24 -3.67 -0.02 0.00 -1.58 0.00 0.00 42.46 36.95 3mti s ILE 22 CO 0.30 0.37 -0.26 -0.69 -1.23 0.00 0.00 174.94 173.44 3mti s VAL 23 N 0.53 2.02 -0.18 2.92 1.01 -0.10 -1.01 120.40 125.60 3mti s VAL 23 Ca 0.18 -1.12 -0.02 0.00 0.00 0.00 0.00 61.98 61.02 3mti s VAL 23 Cb -0.13 -1.68 -0.01 0.00 0.00 0.00 0.00 36.38 34.56 3mti s VAL 23 CO 0.05 0.54 -0.09 -0.69 0.00 0.00 0.00 175.10 174.91 3mti s VAL 24 N -0.62 3.12 -0.46 2.92 1.01 0.42 -0.84 120.40 125.95 3mti s VAL 24 Ca 0.10 -0.60 -0.07 0.00 0.00 0.00 0.00 61.98 61.40 3mti s VAL 24 Cb -0.10 -2.37 0.12 0.00 0.00 0.00 0.00 36.38 34.03 3mti s VAL 24 CO -0.01 0.48 0.31 -0.62 0.00 0.00 0.00 175.10 175.26 3mti s ASP 25 N 0.97 5.57 0.51 3.32 2.15 0.13 -1.48 116.67 127.84 3mti s ASP 25 Ca -0.01 -1.96 0.29 0.00 0.43 0.00 0.00 52.55 51.29 3mti s ASP 25 Cb -0.15 -1.96 1.27 0.00 -0.30 0.00 0.00 42.92 41.78 3mti s ASP 25 CO -0.01 -0.65 1.96 0.00 -0.17 0.00 0.00 175.17 176.31 3mti h ALA 26 N 8.32 1.07 -2.82 3.66 0.00 -1.66 0.38 119.26 128.20 3mti h ALA 26 Ca -0.18 -0.11 -0.29 0.00 0.00 0.00 0.00 54.91 54.33 3mti h ALA 26 Cb 1.06 -0.02 -0.19 0.00 0.00 0.00 0.00 17.79 18.65 3mti h ALA 26 CO 0.81 0.15 -0.73 0.95 0.00 0.00 0.00 179.25 180.43 3mti s THR 27 N -3.80 0.76 0.00 0.00 -4.23 -1.23 -4.38 115.64 102.77 3mti s THR 27 Ca -0.00 -1.48 0.00 0.00 -1.18 0.00 0.00 61.69 59.02 3mti s THR 27 Cb 0.11 -1.14 0.00 0.00 1.34 0.00 0.00 72.50 72.80 3mti s THR 27 CO 0.58 -0.54 0.00 0.61 -0.54 0.00 0.00 174.62 174.73 3mti n GLY 29 N 0.80 0.45 0.00 3.99 0.00 -1.26 -4.75 105.19 104.42 3mti n GLY 29 Ca -0.18 -1.11 0.12 0.00 0.00 0.00 0.00 46.02 44.86 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 -4.64 115.26 111.20 3mti n ASN 30 Ca 0.00 -0.08 0.00 0.00 -0.53 0.00 0.00 54.58 53.97 3mti n ASN 30 Cb 0.00 -0.28 0.00 0.00 -2.08 0.00 0.00 39.78 37.42 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 0.79 0.85 0.25 4.83 0.00 -1.26 -4.27 105.19 106.39 3mti n GLY 31 Ca 0.12 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.10 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 0.61 -0.02 1.61 4.21 -1.95 0.27 115.58 120.31 3mti h ASN 32 Ca 0.00 0.01 -0.26 0.00 1.21 0.00 0.00 56.30 57.26 3mti h ASN 32 Cb 0.00 -0.12 0.02 0.00 -1.12 0.00 0.00 38.32 37.10 3mti h ASN 32 CO 0.00 0.42 -1.01 0.44 -1.29 0.00 0.00 177.43 175.99 3mti h ASP 33 N 0.74 0.92 -0.24 5.81 3.32 -1.95 -2.95 116.42 122.08 3mti h ASP 33 Ca 0.26 -0.72 -0.01 0.00 0.02 0.00 0.00 57.03 56.58 3mti h ASP 33 Cb 0.06 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.31 3mti h ASP 33 CO -0.12 1.52 0.13 0.74 -1.72 0.00 0.00 179.24 179.79 3mti h THR 34 N 0.41 1.13 -0.78 0.35 2.02 -1.88 -0.05 112.91 114.12 3mti h THR 34 Ca -0.12 -0.35 0.09 0.00 0.77 0.00 0.00 66.41 66.80 3mti h THR 34 Cb 1.66 0.92 -0.07 0.00 -1.74 0.00 0.00 68.15 68.92 3mti h THR 34 CO 0.20 0.13 0.43 0.00 0.37 0.00 0.00 175.52 176.65 3mti h ALA 35 N 1.00 1.10 0.07 6.16 0.00 -1.02 0.96 119.26 127.53 3mti h ALA 35 Ca 0.08 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3mti h ALA 35 Cb 0.09 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3mti h ALA 35 CO -0.01 0.06 -0.04 0.35 0.00 0.00 0.00 179.25 179.61 3mti h PHE 36 N 0.74 -0.09 -0.01 0.00 3.57 -1.30 -3.35 116.94 116.49 3mti h PHE 36 Ca 0.37 -0.00 -0.19 0.00 3.53 0.00 0.00 57.97 61.69 3mti h PHE 36 Cb 0.34 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.10 3mti h PHE 36 CO -0.07 0.34 -0.81 -0.07 -2.23 0.00 0.00 178.31 175.46 3mti h LEU 37 N -0.55 0.26 -0.46 0.59 3.38 -0.73 -3.22 115.31 114.58 3mti h LEU 37 Ca -0.01 -0.20 0.09 0.00 0.09 0.00 0.00 57.88 57.86 3mti h LEU 37 Cb 0.47 -0.08 -0.09 0.00 0.09 0.00 0.00 40.66 41.05 3mti h LEU 37 CO 0.02 0.97 -0.19 0.00 0.09 0.00 0.00 178.44 179.32 3mti h ALA 38 N 1.02 0.16 -1.00 1.53 0.00 -0.94 -0.44 119.26 119.59 3mti h ALA 38 Ca -0.04 0.17 0.29 0.00 0.00 0.00 0.00 54.91 55.33 3mti h ALA 38 Cb 1.41 0.49 -0.04 0.00 0.00 0.00 0.00 17.79 19.65 3mti h ALA 38 CO 0.12 -0.53 0.81 0.78 0.00 0.00 0.00 179.25 180.43 3mti h GLY 39 N -0.09 0.00 -0.94 0.00 0.00 -1.68 -1.53 103.07 98.83 3mti h GLY 39 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.55 3mti h GLY 39 CO -0.52 0.00 -0.23 1.04 0.00 0.00 0.00 176.54 176.83 3mti n LEU 40 N -3.96 1.88 -4.32 3.11 4.77 -0.20 -5.03 117.00 113.25 3mti n LEU 40 Ca 0.21 -0.84 -0.17 0.00 -0.03 0.00 0.00 56.01 55.18 3mti n LEU 40 Cb 1.14 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 42.14 3mti n LEU 40 CO 0.36 0.35 -0.22 -0.94 -1.33 0.00 0.00 177.39 175.61 3mti s SER 41 N -1.75 1.30 0.09 -1.43 1.04 -0.58 -3.69 113.70 108.68 3mti s SER 41 Ca 0.15 -1.50 -0.19 0.00 0.48 0.00 0.00 55.95 54.90 3mti s SER 41 Cb 0.13 0.33 -0.08 0.00 0.10 0.00 0.00 66.02 66.50 3mti s SER 41 CO 0.34 -0.84 1.54 0.50 0.98 0.00 0.00 173.24 175.76 3mti h LYS 42 N 2.30 0.41 -1.99 4.02 3.64 -0.76 -3.46 116.57 120.73 3mti h LYS 42 Ca -0.35 -0.12 -0.04 0.00 -1.27 0.00 0.00 60.65 58.87 3mti h LYS 42 Cb 1.25 -0.04 -0.21 0.00 -0.41 0.00 0.00 32.23 32.82 3mti h LYS 42 CO 0.54 0.57 0.16 0.21 -2.27 0.00 0.00 179.45 178.65 3mti s LYS 43 N -5.09 0.90 -0.12 1.90 2.20 -1.06 -4.84 119.74 113.62 3mti s LYS 43 Ca -0.14 0.76 0.03 0.00 -0.36 0.00 0.00 55.97 56.27 3mti s LYS 43 Cb 0.07 0.43 0.01 0.00 -1.51 0.00 0.00 37.83 36.83 3mti s LYS 43 CO 0.74 -0.17 -0.23 0.08 -0.36 0.00 0.00 175.35 175.41 3mti s VAL 44 N -0.11 2.07 -0.20 4.02 1.01 -0.70 -0.92 120.40 125.57 3mti s VAL 44 Ca -0.03 -0.99 -0.15 0.00 0.00 0.00 0.00 61.98 60.80 3mti s VAL 44 Cb -0.03 -1.81 -0.04 0.00 0.00 0.00 0.00 36.38 34.50 3mti s VAL 44 CO 0.04 0.55 0.37 -0.31 0.00 0.00 0.00 175.10 175.75 3mti s TYR 45 N 0.60 3.37 -0.06 5.22 2.02 -0.02 0.24 117.35 128.71 3mti s TYR 45 Ca -0.12 0.57 0.05 0.00 -0.37 0.00 0.00 57.07 57.20 3mti s TYR 45 Cb -0.17 -2.49 -0.01 0.00 -0.40 0.00 0.00 41.96 38.89 3mti s TYR 45 CO 0.03 0.01 -0.23 0.00 -1.57 0.00 0.00 175.55 173.78 3mti s ALA 46 N 1.25 2.24 -0.04 3.71 0.00 0.23 0.23 121.76 129.38 3mti s ALA 46 Ca 0.18 -1.03 0.06 0.00 0.00 0.00 0.00 51.96 51.17 3mti s ALA 46 Cb -0.15 -0.74 -0.02 0.00 0.00 0.00 0.00 23.12 22.22 3mti s ALA 46 CO 0.07 0.42 -0.23 -0.06 0.00 0.00 0.00 175.76 175.96 3mti s PHE 47 N -0.17 2.44 -0.04 0.00 0.08 0.12 -0.10 117.98 120.32 3mti s PHE 47 Ca -0.03 -0.52 -0.26 0.00 0.12 0.00 0.00 56.93 56.25 3mti s PHE 47 Cb -0.14 -1.57 0.05 0.00 -0.57 0.00 0.00 43.02 40.80 3mti s PHE 47 CO 0.04 -0.08 0.56 0.34 -0.10 0.00 0.00 175.22 175.97 3mti s ASP 48 N -0.42 -0.51 0.00 1.36 -1.08 -0.96 -3.47 116.67 111.58 3mti s ASP 48 Ca 0.04 0.53 0.28 0.00 -0.52 0.00 0.00 52.55 52.88 3mti s ASP 48 Cb -0.12 0.48 1.03 0.00 -1.46 0.00 0.00 42.92 42.85 3mti s ASP 48 CO 0.01 -0.55 1.74 1.33 0.52 0.00 0.00 175.17 178.22 3mti n VAL 49 N 1.05 0.00 -4.10 1.11 0.24 -1.26 -2.41 118.33 112.96 3mti n VAL 49 Ca -0.20 -0.09 -0.35 0.00 -2.04 0.00 0.00 64.34 61.67 3mti n VAL 49 Cb 0.57 0.10 -0.13 0.00 -1.47 0.00 0.00 33.84 32.90 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 -2.50 3.47 0.26 7.34 -0.21 -1.26 -4.91 119.66 121.85 3mti s GLN 50 Ca 0.27 -0.59 -0.03 0.00 0.02 0.00 0.00 55.36 55.02 3mti s GLN 50 Cb 0.20 -2.98 0.53 0.00 1.00 0.00 0.00 33.01 31.75 3mti s GLN 50 CO 0.50 -0.05 1.66 1.05 -2.12 0.00 0.00 175.29 176.33 3mti h GLU 51 N 7.65 0.20 -0.54 2.91 4.11 -2.01 -1.74 114.58 125.17 3mti h GLU 51 Ca -0.37 -0.01 -0.02 0.00 0.07 0.00 0.00 59.36 59.03 3mti h GLU 51 Cb 1.18 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.35 3mti h GLU 51 CO 0.60 0.13 0.25 -0.56 0.07 0.00 0.00 179.01 179.51 3mti h GLN 52 N 0.21 0.75 -0.61 1.06 -0.00 -1.99 -1.48 115.11 113.05 3mti h GLN 52 Ca 0.45 -0.09 0.00 0.00 -0.00 0.00 0.00 58.65 59.01 3mti h GLN 52 Cb 0.83 -0.14 -0.03 0.00 -0.00 0.00 0.00 27.48 28.13 3mti h GLN 52 CO -0.59 0.59 0.39 0.00 -0.00 0.00 0.00 178.83 179.22 3mti h ALA 53 N 1.53 0.78 0.31 0.06 0.00 -1.58 -0.92 119.26 119.43 3mti h ALA 53 Ca 0.19 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 3mti h ALA 53 Cb 0.09 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.63 3mti h ALA 53 CO -0.02 0.23 -0.15 -0.07 0.00 0.00 0.00 179.25 179.23 3mti h LEU 54 N 0.83 -0.35 -0.98 0.00 -0.00 -1.19 -0.35 115.31 113.27 3mti h LEU 54 Ca 0.22 0.01 0.02 0.00 -0.00 0.00 0.00 57.88 58.12 3mti h LEU 54 Cb -0.07 0.09 -0.05 0.00 -0.00 0.00 0.00 40.66 40.63 3mti h LEU 54 CO -0.05 -0.25 0.65 1.23 -0.00 0.00 0.00 178.44 180.02 3mti h GLY 55 N -0.43 1.39 0.69 0.83 0.00 -1.18 0.67 103.07 105.04 3mti h GLY 55 Ca -0.04 -0.51 -0.01 0.00 0.00 0.00 0.00 47.33 46.77 3mti h GLY 55 CO 0.07 0.48 -0.12 0.07 0.00 0.00 0.00 176.54 177.04 3mti h LYS 56 N 1.31 -0.33 -0.60 4.80 5.09 -1.06 -2.83 116.57 122.94 3mti h LYS 56 Ca 0.37 0.02 0.03 0.00 0.09 0.00 0.00 60.65 61.16 3mti h LYS 56 Cb -0.12 0.08 -0.04 0.00 0.10 0.00 0.00 32.23 32.25 3mti h LYS 56 CO -0.09 -0.02 0.37 1.15 -2.09 0.00 0.00 179.45 178.77 3mti h THR 57 N -0.66 1.07 0.04 0.07 2.02 -0.90 -2.10 112.91 112.45 3mti h THR 57 Ca -0.04 -0.25 0.01 0.00 0.77 0.00 0.00 66.41 66.91 3mti h THR 57 Cb 0.46 0.28 -0.03 0.00 -1.74 0.00 0.00 68.15 67.13 3mti h THR 57 CO 0.06 0.13 -0.30 0.28 0.37 0.00 0.00 175.52 176.06 3mti h SER 58 N 0.72 -0.91 -0.81 4.18 0.02 -0.89 0.13 113.55 115.99 3mti h SER 58 Ca 0.24 0.10 0.16 0.00 -0.84 0.00 0.00 61.79 61.45 3mti h SER 58 Cb 0.03 0.34 -0.15 0.00 0.14 0.00 0.00 62.40 62.76 3mti h SER 58 CO -0.10 -0.30 -0.23 -0.61 -1.14 0.00 0.00 176.83 174.44 3mti h GLN 59 N -0.40 -0.01 0.45 3.45 -0.00 -1.45 0.21 115.11 117.35 3mti h GLN 59 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.64 3mti h GLN 59 Cb 0.42 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 27.89 3mti h GLN 59 CO -0.18 -0.01 -0.29 0.00 0.00 0.00 0.00 178.83 178.35 3mti h ARG 60 N -0.01 -0.69 -0.60 1.69 3.08 -0.80 0.40 114.38 117.44 3mti h ARG 60 Ca 0.38 0.05 0.02 0.00 0.07 0.00 0.00 59.98 60.50 3mti h ARG 60 Cb 0.60 0.16 -0.04 0.00 0.08 0.00 0.00 29.97 30.76 3mti h ARG 60 CO -0.84 -0.46 0.38 -0.07 -1.07 0.00 0.00 179.97 177.91 3mti h LEU 61 N -0.71 0.63 -0.46 3.04 3.38 -0.08 -0.05 115.31 121.05 3mti h LEU 61 Ca -0.05 -0.00 0.07 0.00 0.09 0.00 0.00 57.88 57.99 3mti h LEU 61 Cb 0.59 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 41.15 3mti h LEU 61 CO 0.04 0.44 0.14 -1.28 0.09 0.00 0.00 178.44 177.87 3mti h SER 62 N 0.75 0.12 0.15 -0.43 0.87 -0.40 0.71 113.55 115.33 3mti h SER 62 Ca 0.24 0.06 -0.04 0.00 -1.23 0.00 0.00 61.79 60.82 3mti h SER 62 Cb -0.01 0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.01 3mti h SER 62 CO -0.09 0.10 -0.17 0.44 -0.53 0.00 0.00 176.83 176.58 3mti h ASP 63 N 0.30 0.04 0.11 6.23 3.32 0.00 -0.49 116.42 125.94 3mti h ASP 63 Ca 0.22 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.27 3mti h ASP 63 Cb 0.25 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.79 3mti h ASP 63 CO -0.25 0.21 -0.07 0.18 -1.72 0.00 0.00 179.24 177.60 3mti n LEU 64 N -4.32 0.92 -0.22 1.55 4.77 -0.12 -4.94 117.00 114.64 3mti n LEU 64 Ca -0.02 -0.26 -0.03 0.00 -0.03 0.00 0.00 56.01 55.67 3mti n LEU 64 Cb 0.24 -0.06 -0.01 0.00 -2.33 0.00 0.00 43.42 41.26 3mti n LEU 64 CO 0.37 0.16 -0.03 0.61 -1.33 0.00 0.00 177.39 177.17 3mti n GLY 65 N 1.19 0.58 3.66 -0.72 0.00 0.07 -4.99 105.19 104.98 3mti n GLY 65 Ca 0.18 -0.32 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.92 4.85 0.00 -0.61 1.01 -0.18 -4.91 121.20 119.44 3mti s ILE 66 Ca 0.00 1.61 0.00 0.00 0.00 0.00 0.00 60.65 62.26 3mti s ILE 66 Cb 0.00 -4.13 0.00 0.00 0.01 0.00 0.00 42.46 38.34 3mti s ILE 66 CO 0.00 -0.03 0.26 -0.62 0.00 0.00 0.00 174.94 174.55 3mti n GLU 67 N 5.64 1.49 -1.50 2.79 -0.58 -1.26 -4.34 120.64 122.87 3mti n GLU 67 Ca 0.05 -0.26 -0.32 0.00 -0.42 0.00 0.00 57.16 56.21 3mti n GLU 67 Cb 0.48 -0.72 0.03 0.00 -0.57 0.00 0.00 31.44 30.66 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 -0.29 7.22 -4.28 1.62 2.04 -1.26 -4.92 115.26 115.39 3mti n ASN 68 Ca 0.00 -3.58 -0.21 0.00 -0.44 0.00 0.00 54.58 50.35 3mti n ASN 68 Cb 0.03 -1.07 -0.11 0.00 -2.53 0.00 0.00 39.78 36.09 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 -4.01 1.58 -0.24 5.53 -4.23 -1.26 -1.71 115.64 111.30 3mti s THR 69 Ca 0.54 -1.75 0.02 0.00 -1.18 0.00 0.00 61.69 59.32 3mti s THR 69 Cb 0.42 -1.64 0.06 0.00 1.34 0.00 0.00 72.50 72.68 3mti s THR 69 CO -0.19 -0.31 -0.09 -0.70 -0.54 0.00 0.00 174.62 172.79 3mti s GLU 70 N -2.55 1.97 -0.24 3.99 2.12 0.14 -4.93 118.70 119.20 3mti s GLU 70 Ca 0.11 -1.14 -0.16 0.00 0.36 0.00 0.00 54.97 54.13 3mti s GLU 70 Cb -0.06 -2.72 -0.04 0.00 0.26 0.00 0.00 34.13 31.58 3mti s GLU 70 CO 0.05 -0.56 0.42 -0.51 -0.54 0.00 0.00 175.26 174.11 3mti s LEU 71 N 1.25 4.09 -0.12 2.70 1.43 -1.26 -0.60 118.68 126.18 3mti s LEU 71 Ca -0.07 0.44 0.03 0.00 -1.03 0.00 0.00 54.13 53.50 3mti s LEU 71 Cb -0.19 -2.52 0.01 0.00 0.03 0.00 0.00 46.19 43.51 3mti s LEU 71 CO -0.06 -0.17 -0.20 -0.63 0.23 0.00 0.00 176.35 175.52 3mti s ILE 72 N 1.82 1.85 -1.01 -0.59 1.01 0.86 -4.97 121.20 120.17 3mti s ILE 72 Ca 0.18 -0.87 -0.17 0.00 0.00 0.00 0.00 60.65 59.79 3mti s ILE 72 Cb -0.15 -1.64 0.15 0.00 0.01 0.00 0.00 42.46 40.82 3mti s ILE 72 CO 0.09 0.51 1.21 -0.22 0.00 0.00 0.00 174.94 176.53 3mti s LEU 73 N 0.72 5.11 0.08 2.97 2.96 -1.26 -2.27 118.68 126.99 3mti s LEU 73 Ca -0.11 -2.36 -0.27 0.00 -0.22 0.00 0.00 54.13 51.17 3mti s LEU 73 Cb -0.16 -2.39 0.08 0.00 0.50 0.00 0.00 46.19 44.22 3mti s LEU 73 CO 0.02 -0.95 0.90 -0.62 -1.32 0.00 0.00 176.35 174.38 3mti s ASP 74 N 3.33 -0.29 0.22 3.68 -1.08 -1.01 -4.97 116.67 116.56 3mti s ASP 74 Ca 0.35 -0.20 -0.30 0.00 -0.52 0.00 0.00 52.55 51.88 3mti s ASP 74 Cb -0.04 0.45 -0.09 0.00 -1.46 0.00 0.00 42.92 41.77 3mti s ASP 74 CO -0.07 -0.78 1.34 -0.83 0.52 0.00 0.00 175.17 175.35 3mti s GLY 75 N -2.72 2.46 0.51 2.66 0.00 -1.26 -3.84 107.32 105.14 3mti s GLY 75 Ca 0.08 1.18 0.34 0.00 0.00 0.00 0.00 44.72 46.32 3mti s GLY 75 CO -0.04 2.11 2.05 1.12 0.00 0.00 0.00 173.10 178.34 3mti h HIS 76 N 5.12 0.00 0.00 1.90 2.07 -1.92 -1.50 115.15 120.82 3mti h HIS 76 Ca -0.45 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.06 3mti h HIS 76 Cb 1.22 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.19 3mti h HIS 76 CO 0.61 0.00 -0.05 1.05 -3.07 0.00 0.00 177.93 176.47 3mti h GLU 77 N 0.00 0.00 -0.75 5.12 9.09 -1.92 -1.98 114.58 124.15 3mti h GLU 77 Ca 0.00 0.00 -0.14 0.00 0.05 0.00 0.00 59.36 59.27 3mti h GLU 77 Cb 0.02 0.00 -0.09 0.00 -1.65 0.00 0.00 28.75 27.03 3mti h GLU 77 CO 0.00 0.05 0.18 0.09 0.05 0.00 0.00 179.01 179.38 3mti n ASN 78 N -3.30 4.74 -0.25 3.06 3.02 -0.56 -4.62 115.26 117.34 3mti n ASN 78 Ca -0.01 -3.02 0.04 0.00 -0.03 0.00 0.00 54.58 51.56 3mti n ASN 78 Cb 0.22 -0.71 0.28 0.00 -0.61 0.00 0.00 39.78 38.96 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 2.75 0.82 -1.18 3.41 8.10 -1.49 -2.80 115.31 124.92 3mti h LEU 79 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.17 3mti h LEU 79 Cb 2.09 -0.17 0.00 0.00 -0.44 0.00 0.00 40.66 42.13 3mti h LEU 79 CO 0.61 0.54 0.00 -0.90 -4.11 0.00 0.00 178.44 174.58 3mti n ASP 80 N -4.48 0.47 0.05 0.17 3.85 -1.26 -1.24 116.55 114.12 3mti n ASP 80 Ca 0.12 0.72 0.12 0.00 -0.71 0.00 0.00 54.79 55.03 3mti n ASP 80 Cb 0.19 -0.78 0.15 0.00 -1.35 0.00 0.00 41.12 39.32 3mti n ASP 80 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.20 177.60 3mti n HIS 81 N -2.13 0.50 -0.04 2.11 8.25 -1.06 -4.40 115.22 118.45 3mti n HIS 81 Ca -0.01 0.15 -0.03 0.00 -0.26 0.00 0.00 57.72 57.56 3mti n HIS 81 Cb 0.04 -0.62 -0.08 0.00 1.12 0.00 0.00 29.99 30.45 3mti n HIS 81 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3mti n TYR 82 N -2.08 0.00 -3.52 4.41 4.01 -0.37 -4.93 117.16 114.68 3mti n TYR 82 Ca 0.03 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.35 3mti n TYR 82 Cb 0.44 -0.44 -0.07 0.00 -0.31 0.00 0.00 39.34 38.96 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 -2.30 4.51 -1.37 -0.72 1.01 -0.88 -4.94 120.40 115.72 3mti s VAL 83 Ca -0.05 -2.18 0.25 0.00 0.00 0.00 0.00 61.98 60.01 3mti s VAL 83 Cb 0.03 -3.91 0.07 0.00 0.00 0.00 0.00 36.38 32.57 3mti s VAL 83 CO 0.39 -0.86 1.37 0.54 0.00 0.00 0.00 175.10 176.54 3mti n ARG 84 N 4.41 0.41 -3.33 2.72 1.74 -1.26 -4.78 116.66 116.57 3mti n ARG 84 Ca -0.00 -0.27 -0.24 0.00 -0.77 0.00 0.00 57.85 56.57 3mti n ARG 84 Cb 0.41 -1.49 -0.01 0.00 -1.02 0.00 0.00 32.46 30.35 3mti n ARG 84 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3mti s GLU 85 N -2.77 3.47 0.59 5.56 8.01 -1.26 -5.07 118.70 127.24 3mti s GLU 85 Ca 0.16 -0.32 -0.20 0.00 0.01 0.00 0.00 54.97 54.63 3mti s GLU 85 Cb 0.18 -2.65 -0.03 0.00 -4.31 0.00 0.00 34.13 27.32 3mti s GLU 85 CO 0.65 0.12 1.28 -2.14 0.01 0.00 0.00 175.26 175.18 3mti s PRO 86 N -4.34 2.91 -0.22 0.39 0.02 -1.26 -5.01 135.00 127.48 3mti s PRO 86 Ca 0.41 2.03 -0.07 0.00 0.02 0.00 0.00 61.00 63.38 3mti s PRO 86 Cb -0.10 -2.01 -0.03 0.00 0.02 0.00 0.00 34.50 32.38 3mti s PRO 86 CO 0.36 -1.31 0.06 0.42 -0.33 0.00 0.00 177.00 176.20 3mti s ILE 87 N -1.43 4.38 -0.09 2.83 1.01 -0.51 -4.51 121.20 122.88 3mti s ILE 87 Ca 0.77 -0.16 -0.06 0.00 0.00 0.00 0.00 60.65 61.20 3mti s ILE 87 Cb -0.36 -3.02 -0.27 0.00 0.01 0.00 0.00 42.46 38.82 3mti s ILE 87 CO 0.40 0.38 0.50 -0.09 0.00 0.00 0.00 174.94 176.12 3mti h ARG 88 N 7.73 0.28 -3.62 2.79 9.65 -1.39 -0.43 114.38 129.38 3mti h ARG 88 Ca -0.37 -0.48 -0.21 0.00 -1.10 0.00 0.00 59.98 57.83 3mti h ARG 88 Cb 1.18 0.18 -0.27 0.00 -1.39 0.00 0.00 29.97 29.67 3mti h ARG 88 CO 0.61 1.18 -0.65 0.00 2.80 0.00 0.00 179.97 183.91 3mti s ALA 89 N -2.57 -0.13 0.04 2.80 0.00 -1.18 -1.51 121.76 119.21 3mti s ALA 89 Ca -0.19 0.08 -0.00 0.00 0.00 0.00 0.00 51.96 51.85 3mti s ALA 89 Cb 0.06 -0.06 -0.03 0.00 0.00 0.00 0.00 23.12 23.09 3mti s ALA 89 CO 0.80 -0.05 -0.04 0.00 0.00 0.00 0.00 175.76 176.48 3mti s ALA 90 N -0.17 0.38 -0.02 0.00 0.00 0.91 -0.43 121.76 122.44 3mti s ALA 90 Ca -0.02 -0.93 0.01 0.00 0.00 0.00 0.00 51.96 51.01 3mti s ALA 90 Cb -0.02 0.20 0.01 0.00 0.00 0.00 0.00 23.12 23.31 3mti s ALA 90 CO 0.00 -0.25 -0.03 -1.50 0.00 0.00 0.00 175.76 173.98 3mti s ILE 91 N -2.72 0.28 -0.11 0.00 2.07 -0.55 -0.89 121.20 119.28 3mti s ILE 91 Ca -0.03 -0.08 -0.01 0.00 -1.41 0.00 0.00 60.65 59.12 3mti s ILE 91 Cb -0.01 -0.29 0.03 0.00 0.13 0.00 0.00 42.46 42.31 3mti s ILE 91 CO -0.05 0.12 -0.06 0.12 -1.91 0.00 0.00 174.94 173.15 3mti s PHE 92 N 0.38 1.34 -0.42 3.50 5.36 0.06 -1.99 117.98 126.20 3mti s PHE 92 Ca -0.04 -0.63 -0.17 0.00 -0.96 0.00 0.00 56.93 55.13 3mti s PHE 92 Cb -0.07 -1.15 0.02 0.00 -0.34 0.00 0.00 43.02 41.48 3mti s PHE 92 CO -0.01 -0.48 0.40 -0.80 -1.46 0.00 0.00 175.22 172.87 3mti s ASN 93 N 1.74 6.17 -0.15 6.13 -0.87 -1.26 -4.33 114.94 122.37 3mti s ASN 93 Ca 0.05 -0.78 -0.18 0.00 -1.57 0.00 0.00 52.86 50.38 3mti s ASN 93 Cb -0.13 -2.20 -0.04 0.00 -0.02 0.00 0.00 41.25 38.86 3mti s ASN 93 CO -0.08 -0.55 0.47 -0.76 -2.57 0.00 0.00 177.10 173.61 3mti s LEU 94 N 1.99 4.23 -0.14 0.60 1.02 -1.26 -4.91 118.68 120.21 3mti s LEU 94 Ca 0.10 0.75 -0.04 0.00 0.02 0.00 0.00 54.13 54.95 3mti s LEU 94 Cb -0.18 -2.67 0.01 0.00 0.02 0.00 0.00 46.19 43.37 3mti s LEU 94 CO 0.12 -0.04 0.19 0.61 0.02 0.00 0.00 176.35 177.25 3mti n GLY 95 N 3.47 -0.86 3.74 -3.19 0.00 -1.26 -1.23 105.19 105.86 3mti n GLY 95 Ca -0.07 0.29 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 3mti n GLY 95 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3mti n LYS 107 N -0.52 2.66 -0.36 1.61 2.85 -1.26 -4.84 118.16 118.31 3mti n LYS 107 Ca 0.03 0.95 0.00 0.00 -1.05 0.00 0.00 58.31 58.24 3mti n LYS 107 Cb 0.18 -2.72 0.16 0.00 -0.65 0.00 0.00 35.03 31.99 3mti n LYS 107 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 177.40 176.00 3mti h PRO 108 N 4.78 1.20 -0.80 -1.58 0.11 -2.00 -2.57 132.00 131.15 3mti h PRO 108 Ca -0.47 -0.07 0.04 0.00 0.11 0.00 0.00 66.00 65.61 3mti h PRO 108 Cb 1.23 -0.27 -0.05 0.00 0.11 0.00 0.00 31.00 32.01 3mti h PRO 108 CO 0.79 0.80 0.50 1.12 -0.21 0.00 0.00 178.00 181.00 3mti h HIS 109 N 1.24 0.94 -0.31 0.65 2.07 -2.00 -0.99 115.15 116.75 3mti h HIS 109 Ca 0.39 0.03 -0.16 0.00 -2.85 0.00 0.00 60.37 57.77 3mti h HIS 109 Cb -0.00 -0.31 -0.00 0.00 2.57 0.00 0.00 27.41 29.67 3mti h HIS 109 CO -0.00 0.52 -0.45 1.79 -3.07 0.00 0.00 177.93 176.72 3mti h THR 110 N 0.96 1.28 0.00 6.12 1.35 -1.93 -1.60 112.91 119.10 3mti h THR 110 Ca 0.33 -1.64 0.01 0.00 -0.55 0.00 0.00 66.41 64.56 3mti h THR 110 Cb 0.06 1.52 -0.02 0.00 -1.73 0.00 0.00 68.15 67.98 3mti h THR 110 CO -0.13 0.54 -0.08 0.74 -0.25 0.00 0.00 175.52 176.34 3mti h THR 111 N 0.65 0.81 -0.43 6.82 2.02 -1.07 -1.20 112.91 120.51 3mti h THR 111 Ca 0.04 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.23 3mti h THR 111 Cb 1.03 0.81 -0.02 0.00 -1.74 0.00 0.00 68.15 68.22 3mti h THR 111 CO 0.10 0.00 0.27 -0.07 0.37 0.00 0.00 175.52 176.19 3mti h LEU 112 N -0.13 0.46 -1.02 2.58 -0.00 -1.15 -1.89 115.31 114.17 3mti h LEU 112 Ca 0.03 -0.01 0.10 0.00 -0.00 0.00 0.00 57.88 58.01 3mti h LEU 112 Cb 0.17 -0.11 -0.08 0.00 -0.00 0.00 0.00 40.66 40.64 3mti h LEU 112 CO -0.08 0.33 0.64 -0.08 -0.00 0.00 0.00 178.44 179.25 3mti h GLU 113 N 0.56 1.01 -0.35 1.13 4.81 -1.11 -1.39 114.58 119.23 3mti h GLU 113 Ca 0.16 -0.06 -0.15 0.00 -0.13 0.00 0.00 59.36 59.18 3mti h GLU 113 Cb -0.04 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.10 3mti h GLU 113 CO -0.05 0.67 -0.38 0.00 -0.73 0.00 0.00 179.01 178.52 3mti h ALA 114 N 1.52 0.66 -0.16 2.92 0.00 -0.67 -1.25 119.26 122.27 3mti h ALA 114 Ca 0.48 -0.45 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 3mti h ALA 114 Cb 0.40 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 3mti h ALA 114 CO -0.23 0.67 -0.19 0.82 0.00 0.00 0.00 179.25 180.32 3mti h ILE 115 N 0.69 1.35 -0.29 0.00 2.04 -0.97 -2.31 117.51 118.02 3mti h ILE 115 Ca 0.06 -1.38 0.02 0.00 1.00 0.00 0.00 64.86 64.56 3mti h ILE 115 Cb 0.95 1.88 -0.02 0.00 -0.74 0.00 0.00 36.82 38.89 3mti h ILE 115 CO 0.09 0.41 0.16 -0.08 0.00 0.00 0.00 178.15 178.72 3mti h GLU 116 N 0.04 0.31 -0.82 2.37 4.81 -1.31 0.01 114.58 120.00 3mti h GLU 116 Ca 0.02 -0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.29 3mti h GLU 116 Cb 0.74 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 30.00 3mti h GLU 116 CO 0.05 0.21 0.54 0.87 -0.73 0.00 0.00 179.01 179.94 3mti h LYS 117 N 0.32 0.89 0.27 1.92 1.57 -1.17 -0.52 116.57 119.85 3mti h LYS 117 Ca 0.12 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 3mti h LYS 117 Cb 0.02 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.13 3mti h LYS 117 CO -0.07 0.59 -0.13 0.82 -0.57 0.00 0.00 179.45 180.09 3mti h ILE 118 N 0.92 0.72 -0.16 1.86 1.08 -1.18 -2.83 117.51 117.91 3mti h ILE 118 Ca 0.35 -0.73 0.05 0.00 -0.39 0.00 0.00 64.86 64.14 3mti h ILE 118 Cb 0.20 1.08 -0.06 0.00 -3.07 0.00 0.00 36.82 34.97 3mti h ILE 118 CO -0.12 0.14 -0.30 -0.07 -0.69 0.00 0.00 178.15 177.11 3mti h LEU 119 N -0.79 -0.93 -1.22 1.44 3.38 -0.72 0.71 115.31 117.17 3mti h LEU 119 Ca -0.04 0.14 0.29 0.00 0.09 0.00 0.00 57.88 58.37 3mti h LEU 119 Cb 0.51 0.41 -0.11 0.00 0.09 0.00 0.00 40.66 41.55 3mti h LEU 119 CO 0.06 -0.34 0.66 0.44 0.09 0.00 0.00 178.44 179.35 3mti h ASP 120 N -0.36 0.49 0.04 -0.43 3.32 -1.16 -1.27 116.42 117.04 3mti h ASP 120 Ca 0.11 0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.27 3mti h ASP 120 Cb 0.52 0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.12 3mti h ASP 120 CO -0.36 0.02 -0.17 0.54 -1.72 0.00 0.00 179.24 177.55 3mti n ARG 121 N -4.76 1.56 -2.15 3.56 1.74 -0.38 -4.95 116.66 111.26 3mti n ARG 121 Ca 0.28 -1.14 -0.38 0.00 -0.77 0.00 0.00 57.85 55.84 3mti n ARG 121 Cb 0.93 -1.48 -0.01 0.00 -1.02 0.00 0.00 32.46 30.89 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 -2.23 4.11 0.75 0.55 1.43 0.10 -1.42 118.68 121.97 3mti s LEU 122 Ca 0.27 2.47 -0.12 0.00 -1.03 0.00 0.00 54.13 55.73 3mti s LEU 122 Cb 0.20 -4.08 0.05 0.00 0.03 0.00 0.00 46.19 42.38 3mti s LEU 122 CO 0.42 -0.90 1.11 -1.61 0.23 0.00 0.00 176.35 175.60 3mti s GLU 123 N -2.47 2.30 0.22 1.70 2.02 -0.17 -4.79 118.70 117.51 3mti s GLU 123 Ca 0.61 1.29 -0.32 0.00 0.02 0.00 0.00 54.97 56.57 3mti s GLU 123 Cb -0.33 -1.89 -0.11 0.00 0.10 0.00 0.00 34.13 31.89 3mti s GLU 123 CO 0.41 -1.62 1.67 0.08 0.02 0.00 0.00 175.26 175.82 3mti s VAL 124 N -2.68 2.14 0.00 2.63 1.01 -1.26 -0.68 120.40 121.56 3mti s VAL 124 Ca 0.64 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.72 3mti s VAL 124 Cb -0.19 -3.07 0.00 0.00 0.00 0.00 0.00 36.38 33.12 3mti s VAL 124 CO 0.52 0.01 0.00 0.61 0.00 0.00 0.00 175.10 176.23 3mti n GLY 125 N 3.61 2.37 3.76 4.51 0.00 0.21 -5.02 105.19 114.63 3mti n GLY 125 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.92 2.14 -0.01 -0.02 0.00 0.14 -4.73 107.32 102.93 3mti s GLY 126 Ca 0.00 0.59 0.04 0.00 0.00 0.00 0.00 44.72 45.35 3mti s GLY 126 CO 0.00 0.96 -0.13 0.50 0.00 0.00 0.00 173.10 174.43 3mti s ARG 127 N -4.13 1.05 -0.10 2.90 0.52 -0.57 -1.26 118.95 117.36 3mti s ARG 127 Ca 0.68 -0.48 0.03 0.00 -0.52 0.00 0.00 55.73 55.44 3mti s ARG 127 Cb -0.22 -1.01 0.01 0.00 0.52 0.00 0.00 34.95 34.24 3mti s ARG 127 CO 0.44 0.28 -0.20 -1.17 0.02 0.00 0.00 175.30 174.67 3mti s LEU 128 N -0.35 1.92 -0.23 2.53 2.96 -0.18 -0.06 118.68 125.28 3mti s LEU 128 Ca 0.05 -0.48 -0.07 0.00 -0.22 0.00 0.00 54.13 53.41 3mti s LEU 128 Cb -0.05 -1.22 -0.03 0.00 0.50 0.00 0.00 46.19 45.39 3mti s LEU 128 CO -0.00 0.10 0.07 0.00 -1.32 0.00 0.00 176.35 175.19 3mti s ALA 129 N 0.56 3.22 0.40 5.97 0.00 -0.07 -0.32 121.76 131.51 3mti s ALA 129 Ca -0.15 -1.03 0.02 0.00 0.00 0.00 0.00 51.96 50.80 3mti s ALA 129 Cb -0.17 -2.03 0.02 0.00 0.00 0.00 0.00 23.12 20.94 3mti s ALA 129 CO 0.05 -0.31 0.19 -0.89 0.00 0.00 0.00 175.76 174.81 3mti n ILE 130 N 4.55 0.00 -3.52 0.00 5.41 0.87 -0.76 119.36 125.91 3mti n ILE 130 Ca -0.16 -1.71 0.03 0.00 1.00 0.00 0.00 62.75 61.91 3mti n ILE 130 Cb 0.52 0.05 -0.05 0.00 -0.71 0.00 0.00 39.64 39.44 3mti n ILE 130 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 3mti s ILE 132 N -2.18 -0.01 -0.50 1.39 1.01 -0.17 0.08 121.20 120.82 3mti s ILE 132 Ca 0.15 0.00 0.15 0.00 0.00 0.00 0.00 60.65 60.95 3mti s ILE 132 Cb -0.01 -1.00 -0.19 0.00 0.01 0.00 0.00 42.46 41.27 3mti s ILE 132 CO 0.09 0.00 0.56 -1.22 0.00 0.00 0.00 174.94 174.37 3mti n TYR 133 N 3.44 0.00 0.00 3.97 4.01 -0.36 -1.84 117.16 126.37 3mti n TYR 133 Ca -0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.60 3mti n TYR 133 Cb 0.56 -0.11 0.00 0.00 -0.31 0.00 0.00 39.34 39.48 3mti n TYR 133 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3mti n ASP 140 N -1.58 0.00 0.00 7.72 2.03 -1.26 -4.78 116.55 118.68 3mti n ASP 140 Ca 0.01 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.32 3mti n ASP 140 Cb 0.29 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.69 3mti n ASP 140 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 3mti n GLU 142 N 0.00 0.00 -0.13 -0.67 2.13 -1.26 -1.93 120.64 118.78 3mti n GLU 142 Ca 0.00 0.00 -0.07 0.00 0.66 0.00 0.00 57.16 57.75 3mti n GLU 142 Cb 0.00 0.00 0.10 0.00 0.27 0.00 0.00 31.44 31.81 3mti n GLU 142 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 3mti h LYS 143 N 0.00 0.85 -0.62 5.31 1.57 -1.99 -1.82 116.57 119.87 3mti h LYS 143 Ca 0.00 -0.28 -0.09 0.00 -1.87 0.00 0.00 60.65 58.41 3mti h LYS 143 Cb 0.00 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 3mti h LYS 143 CO 0.00 0.90 0.04 -0.44 -0.57 0.00 0.00 179.45 179.39 3mti h ASP 144 N 0.78 1.03 -0.30 0.86 3.32 -1.83 -2.34 116.42 117.94 3mti h ASP 144 Ca 0.13 -0.27 -0.18 0.00 0.02 0.00 0.00 57.03 56.73 3mti h ASP 144 Cb 0.58 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.85 3mti h ASP 144 CO 0.04 1.06 -0.51 0.00 -1.72 0.00 0.00 179.24 178.10 3mti h ALA 145 N 1.05 0.46 -0.55 3.45 0.00 -1.76 -1.35 119.26 120.56 3mti h ALA 145 Ca 0.18 -0.50 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 3mti h ALA 145 Cb 0.50 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 3mti h ALA 145 CO 0.02 0.65 0.25 0.28 0.00 0.00 0.00 179.25 180.45 3mti h VAL 146 N 0.66 1.21 -0.68 0.00 2.07 -1.37 -1.33 116.25 116.81 3mti h VAL 146 Ca 0.02 -0.63 -0.03 0.00 0.82 0.00 0.00 66.70 66.88 3mti h VAL 146 Cb 1.12 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 31.46 3mti h VAL 146 CO 0.12 0.25 0.30 0.25 0.02 0.00 0.00 177.57 178.50 3mti h LEU 147 N 0.75 0.92 -0.68 2.57 5.85 -1.29 -1.71 115.31 121.72 3mti h LEU 147 Ca 0.19 -0.15 -0.13 0.00 0.84 0.00 0.00 57.88 58.63 3mti h LEU 147 Cb 0.16 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 3mti h LEU 147 CO -0.02 0.81 -0.32 -0.33 -0.34 0.00 0.00 178.44 178.24 3mti h GLU 148 N 0.96 0.67 -0.42 1.25 5.08 -1.13 -0.99 114.58 120.00 3mti h GLU 148 Ca 0.23 -0.31 0.06 0.00 -1.00 0.00 0.00 59.36 58.34 3mti h GLU 148 Cb 0.16 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.35 3mti h GLU 148 CO -0.02 0.90 0.11 -0.92 -1.00 0.00 0.00 179.01 178.08 3mti h TYR 149 N 0.57 0.19 -0.25 4.33 5.03 -0.93 -0.75 116.97 125.16 3mti h TYR 149 Ca 0.06 0.02 -0.09 0.00 2.58 0.00 0.00 58.73 61.30 3mti h TYR 149 Cb 0.83 -0.02 -0.00 0.00 1.55 0.00 0.00 36.73 39.08 3mti h TYR 149 CO 0.04 0.05 -0.21 0.28 -1.32 0.00 0.00 178.16 177.00 3mti h VAL 150 N 0.26 1.31 -0.74 1.81 2.07 -1.12 -2.85 116.25 116.99 3mti h VAL 150 Ca 0.20 -1.35 0.04 0.00 0.82 0.00 0.00 66.70 66.40 3mti h VAL 150 Cb 0.22 1.64 -0.04 0.00 -1.52 0.00 0.00 31.29 31.59 3mti h VAL 150 CO -0.23 0.42 0.49 0.40 0.02 0.00 0.00 177.57 178.67 3mti h ILE 151 N 0.29 1.09 0.00 4.57 2.04 -1.03 -2.16 117.51 122.32 3mti h ILE 151 Ca 0.04 -0.30 -0.03 0.00 1.00 0.00 0.00 64.86 65.58 3mti h ILE 151 Cb 0.75 0.15 -0.00 0.00 -0.74 0.00 0.00 36.82 36.97 3mti h ILE 151 CO 0.05 0.16 -0.14 1.23 0.00 0.00 0.00 178.15 179.45 3mti h GLY 152 N 0.87 0.00 -3.97 5.37 0.00 -0.90 -3.46 103.07 100.98 3mti h GLY 152 Ca 0.30 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 47.06 3mti h GLY 152 CO -0.09 0.00 0.40 1.04 0.00 0.00 0.00 176.54 177.89 3mti n LEU 153 N -3.57 3.37 -4.65 3.11 4.77 -0.81 -4.89 117.00 114.33 3mti n LEU 153 Ca -0.01 1.14 -0.43 0.00 -0.03 0.00 0.00 56.01 56.68 3mti n LEU 153 Cb 0.28 -1.45 -0.03 0.00 -2.33 0.00 0.00 43.42 39.89 3mti n LEU 153 CO 0.31 -0.80 1.64 -0.67 -1.33 0.00 0.00 177.39 176.53 3mti n ASP 154 N 0.58 3.95 0.15 -1.43 -0.08 -1.26 -4.88 116.55 113.59 3mti n ASP 154 Ca 0.07 0.79 0.12 0.00 -1.51 0.00 0.00 54.79 54.26 3mti n ASP 154 Cb 0.37 -1.52 0.54 0.00 2.34 0.00 0.00 41.12 42.86 3mti n ASP 154 CO 0.00 0.00 0.00 0.06 0.12 0.00 0.00 177.20 177.38 3mti h GLN 155 N 11.24 0.00 0.00 -0.67 3.07 -1.91 0.21 115.11 127.05 3mti h GLN 155 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.26 3mti h GLN 155 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.80 3mti h GLN 155 CO 0.94 0.00 -0.05 0.00 0.09 0.00 0.00 178.83 179.81 3mti h ARG 156 N 0.00 0.00 0.00 0.06 3.08 -2.02 -3.38 114.38 112.12 3mti h ARG 156 Ca 0.00 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 59.84 3mti h ARG 156 Cb 0.32 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.33 3mti h ARG 156 CO 0.00 0.00 -1.75 0.28 -1.07 0.00 0.00 179.97 177.43 3mti n VAL 157 N -2.36 0.75 -4.85 2.04 0.31 -0.09 -4.54 118.33 109.59 3mti n VAL 157 Ca 0.05 -0.25 -0.29 0.00 -0.01 0.00 0.00 64.34 63.84 3mti n VAL 157 Cb 0.44 -1.21 -0.15 0.00 -0.91 0.00 0.00 33.84 32.02 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 -2.26 2.22 -0.21 3.52 0.08 -0.31 -0.14 117.98 120.87 3mti s PHE 158 Ca -0.18 -0.40 -0.10 0.00 0.12 0.00 0.00 56.93 56.36 3mti s PHE 158 Cb 0.06 -1.32 -0.05 0.00 -0.57 0.00 0.00 43.02 41.13 3mti s PHE 158 CO 0.28 0.12 0.14 0.99 -0.10 0.00 0.00 175.22 176.65 3mti s THR 159 N -0.81 5.33 0.35 0.64 2.01 -0.60 -4.16 115.64 118.41 3mti s THR 159 Ca 0.11 0.17 0.09 0.00 0.31 0.00 0.00 61.69 62.37 3mti s THR 159 Cb -0.10 -3.45 -0.06 0.00 0.01 0.00 0.00 72.50 68.90 3mti s THR 159 CO 0.02 0.41 -0.07 0.00 -0.69 0.00 0.00 174.62 174.29 3mti s ALA 160 N 0.64 3.01 -0.19 7.40 0.00 -1.26 -1.81 121.76 129.55 3mti s ALA 160 Ca 0.07 -2.09 -0.11 0.00 0.00 0.00 0.00 51.96 49.84 3mti s ALA 160 Cb -0.12 -0.08 0.06 0.00 0.00 0.00 0.00 23.12 22.98 3mti s ALA 160 CO 0.01 0.06 0.45 -1.17 0.00 0.00 0.00 175.76 175.11 3mti s LEU 162 N -3.63 -0.19 -0.22 0.00 2.96 -1.26 -5.04 118.68 111.29 3mti s LEU 162 Ca 0.33 0.99 -0.01 0.00 -0.22 0.00 0.00 54.13 55.21 3mti s LEU 162 Cb 0.03 1.52 0.06 0.00 0.50 0.00 0.00 46.19 48.30 3mti s LEU 162 CO 0.17 -0.20 0.01 -0.47 -1.32 0.00 0.00 176.35 174.55 3mti s TYR 163 N 1.35 1.56 -0.01 5.38 5.04 -0.12 -5.03 117.35 125.53 3mti s TYR 163 Ca -0.09 -1.26 -0.00 0.00 -2.44 0.00 0.00 57.07 53.28 3mti s TYR 163 Cb -0.08 -1.30 0.01 0.00 0.35 0.00 0.00 41.96 40.95 3mti s TYR 163 CO -0.13 -0.70 0.02 -1.14 -1.34 0.00 0.00 175.55 172.26 3mti s GLN 164 N 1.67 -0.01 0.38 4.97 0.74 -1.26 -0.93 119.66 125.22 3mti s GLN 164 Ca -0.01 0.09 -0.26 0.00 0.05 0.00 0.00 55.36 55.23 3mti s GLN 164 Cb -0.18 -0.11 -0.09 0.00 1.10 0.00 0.00 33.01 33.74 3mti s GLN 164 CO -0.09 -0.07 1.16 -2.14 -0.55 0.00 0.00 175.29 173.59 3mti s PRO 165 N 0.47 4.15 -0.27 1.67 0.02 -1.26 -4.97 135.00 134.80 3mti s PRO 165 Ca -0.04 1.83 -0.06 0.00 0.02 0.00 0.00 61.00 62.75 3mti s PRO 165 Cb -0.06 -2.74 -0.14 0.00 0.02 0.00 0.00 34.50 31.58 3mti s PRO 165 CO -0.01 -0.24 -0.29 1.28 -0.33 0.00 0.00 177.00 177.41 3mti n LEU 166 N 0.22 2.45 -1.38 -5.54 4.77 -1.26 -4.73 117.00 111.53 3mti n LEU 166 Ca 0.03 0.10 0.01 0.00 -0.03 0.00 0.00 56.01 56.12 3mti n LEU 166 Cb 0.46 -0.85 0.27 0.00 -2.33 0.00 0.00 43.42 40.97 3mti n LEU 166 CO 0.51 0.75 0.83 -0.46 -1.33 0.00 0.00 177.39 177.69 3mti n ASN 167 N -3.75 3.99 -4.74 -1.43 2.04 -1.26 -4.93 115.26 105.18 3mti n ASN 167 Ca -0.50 -3.25 -0.38 0.00 -0.44 0.00 0.00 54.58 50.01 3mti n ASN 167 Cb 0.93 -0.64 -0.06 0.00 -2.53 0.00 0.00 39.78 37.48 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 -2.98 4.28 -0.01 -3.83 -1.52 -1.26 -5.00 119.66 109.33 3mti s GLN 168 Ca 0.48 0.42 -0.23 0.00 -1.95 0.00 0.00 55.36 54.08 3mti s GLN 168 Cb 0.39 -3.40 -0.15 0.00 -0.22 0.00 0.00 33.01 29.63 3mti s GLN 168 CO 0.09 0.25 1.03 0.82 -0.25 0.00 0.00 175.29 177.23 3mti h ILE 169 N 4.55 0.58 -3.00 1.08 2.04 -2.01 -3.41 117.51 117.34 3mti h ILE 169 Ca -0.43 -0.72 -0.53 0.00 1.00 0.00 0.00 64.86 64.18 3mti h ILE 169 Cb 1.18 0.89 0.03 0.00 -0.74 0.00 0.00 36.82 38.18 3mti h ILE 169 CO 0.73 0.12 0.75 0.20 0.00 0.00 0.00 178.15 179.95 3mti s ASN 170 N -5.11 6.78 -0.29 1.72 -0.87 -1.26 -4.94 114.94 110.97 3mti s ASN 170 Ca -0.13 2.40 -0.28 0.00 -1.57 0.00 0.00 52.86 53.27 3mti s ASN 170 Cb 0.01 -2.59 -0.03 0.00 -0.02 0.00 0.00 41.25 38.63 3mti s ASN 170 CO 0.47 -0.68 1.92 0.42 -2.57 0.00 0.00 177.10 176.66 3mti s THR 171 N 1.02 3.34 0.58 1.60 -4.23 -1.26 -4.98 115.64 111.70 3mti s THR 171 Ca 0.65 0.34 0.02 0.00 -1.18 0.00 0.00 61.69 61.52 3mti s THR 171 Cb -0.38 -3.45 0.05 0.00 1.34 0.00 0.00 72.50 70.06 3mti s THR 171 CO 0.31 -0.28 0.81 -2.16 -0.54 0.00 0.00 174.62 172.76 3mti s PRO 172 N 5.82 2.38 0.63 3.99 0.04 -1.26 -5.07 135.00 141.54 3mti s PRO 172 Ca 0.86 -0.90 -0.18 0.00 0.04 0.00 0.00 61.00 60.82 3mti s PRO 172 Cb -0.26 -2.48 -0.01 0.00 0.04 0.00 0.00 34.50 31.79 3mti s PRO 172 CO 0.34 -0.84 1.21 -2.14 0.04 0.00 0.00 177.00 175.61 3mti s PRO 173 N -4.81 2.73 0.28 0.56 0.02 -1.26 -4.92 135.00 127.60 3mti s PRO 173 Ca 0.59 1.81 0.04 0.00 0.02 0.00 0.00 61.00 63.46 3mti s PRO 173 Cb -0.09 -1.90 -0.06 0.00 0.02 0.00 0.00 34.50 32.47 3mti s PRO 173 CO 0.39 -1.39 0.01 -0.59 -0.33 0.00 0.00 177.00 175.10 3mti s PHE 174 N -1.71 1.82 -0.05 6.54 -0.12 -0.77 -4.59 117.98 119.10 3mti s PHE 174 Ca 0.77 -0.90 0.06 0.00 -0.05 0.00 0.00 56.93 56.81 3mti s PHE 174 Cb -0.30 -1.11 -0.02 0.00 -0.63 0.00 0.00 43.02 40.96 3mti s PHE 174 CO 0.37 0.04 -0.23 -1.17 -0.05 0.00 0.00 175.22 174.18 3mti s LEU 175 N -3.41 2.20 0.57 -1.99 2.96 -0.11 -1.00 118.68 117.90 3mti s LEU 175 Ca 0.32 -0.44 0.05 0.00 -0.22 0.00 0.00 54.13 53.85 3mti s LEU 175 Cb 0.07 -1.41 0.05 0.00 0.50 0.00 0.00 46.19 45.40 3mti s LEU 175 CO 0.12 0.28 0.45 -0.69 -1.32 0.00 0.00 176.35 175.19 3mti s VAL 176 N -0.34 1.56 0.00 1.68 1.01 0.11 -0.94 120.40 123.48 3mti s VAL 176 Ca 0.02 -1.46 0.00 0.00 0.00 0.00 0.00 61.98 60.54 3mti s VAL 176 Cb -0.12 -2.01 0.00 0.00 0.00 0.00 0.00 36.38 34.24 3mti s VAL 176 CO 0.02 0.00 0.00 0.18 0.00 0.00 0.00 175.10 175.30 3mti n LEU 178 N -1.85 0.00 -4.06 3.92 4.77 0.56 -0.09 117.00 120.26 3mti n LEU 178 Ca -0.01 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.72 3mti n LEU 178 Cb 0.64 0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 41.57 3mti n LEU 178 CO 0.38 0.00 -0.48 -0.70 -1.33 0.00 0.00 177.39 175.26 3mti s GLU 179 N -0.20 1.89 -0.17 3.23 2.12 -0.75 -1.01 118.70 123.80 3mti s GLU 179 Ca 0.00 -0.49 -0.29 0.00 0.36 0.00 0.00 54.97 54.55 3mti s GLU 179 Cb 0.00 -1.53 -0.00 0.00 0.26 0.00 0.00 34.13 32.86 3mti s GLU 179 CO 0.00 0.06 1.01 0.21 -0.54 0.00 0.00 175.26 176.00 3mti s LYS 180 N 0.58 4.34 -0.08 4.30 2.20 -0.39 -1.56 119.74 129.13 3mti s LYS 180 Ca -0.15 1.35 -0.01 0.00 -0.36 0.00 0.00 55.97 56.80 3mti s LYS 180 Cb -0.16 -3.59 -0.26 0.00 -1.51 0.00 0.00 37.83 32.31 3mti s LYS 180 CO 0.04 -0.46 0.52 -0.07 -0.36 0.00 0.00 175.35 175.03 3mti h LEU 181 N 8.70 0.31 0.00 5.43 3.38 -0.84 0.61 115.31 132.90 3mti h LEU 181 Ca -0.25 -0.64 0.00 0.00 0.09 0.00 0.00 57.88 57.08 3mti h LEU 181 Cb 1.11 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.76 3mti h LEU 181 CO 0.91 1.57 0.00 0.00 0.09 0.00 0.00 178.44 181.01