#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nfi s VAL 21 N 0.00 2.62 0.26 -3.48 0.11 -1.26 -0.56 120.40 118.09 1nfi s VAL 21 Ca 0.00 -0.94 0.00 0.00 -2.93 0.00 0.00 61.98 58.12 1nfi s VAL 21 Cb 0.00 -1.99 0.00 0.00 -1.53 0.00 0.00 36.38 32.86 1nfi s VAL 21 CO 0.00 0.56 0.04 -1.84 -3.33 0.00 0.00 175.10 170.52 1nfi n GLU 22 N 2.27 1.32 -4.41 1.54 0.28 -1.11 -4.90 120.64 115.63 1nfi n GLU 22 Ca -0.17 -1.85 -0.28 0.00 -0.16 0.00 0.00 57.16 54.70 1nfi n GLU 22 Cb 0.52 0.44 -0.17 0.00 1.43 0.00 0.00 31.44 33.66 1nfi n GLU 22 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1nfi s ILE 23 N -1.82 1.47 -0.17 3.84 1.01 -1.26 -3.02 121.20 121.24 1nfi s ILE 23 Ca 0.03 -0.62 -0.15 0.00 0.00 0.00 0.00 60.65 59.91 1nfi s ILE 23 Cb -0.00 -1.35 -0.06 0.00 0.01 0.00 0.00 42.46 41.06 1nfi s ILE 23 CO 0.02 0.44 -0.26 -0.38 0.00 0.00 0.00 174.94 174.75 1nfi n ILE 24 N 4.25 1.47 -3.45 2.92 5.41 0.12 -4.76 119.36 125.33 1nfi n ILE 24 Ca -0.19 0.13 -0.41 0.00 1.00 0.00 0.00 62.75 63.28 1nfi n ILE 24 Cb 0.51 -2.32 -0.02 0.00 -0.71 0.00 0.00 39.64 37.09 1nfi n ILE 24 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1nfi n GLU 25 N -4.51 3.22 -0.98 0.38 -0.58 -0.76 -4.93 120.64 112.49 1nfi n GLU 25 Ca -0.15 -4.47 -0.35 0.00 -0.42 0.00 0.00 57.16 51.77 1nfi n GLU 25 Cb 0.45 -2.49 0.07 0.00 -0.57 0.00 0.00 31.44 28.90 1nfi n GLU 25 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1nfi n GLN 26 N 2.48 -0.07 -2.69 3.49 1.13 -1.26 -2.66 117.38 117.80 1nfi n GLN 26 Ca 0.23 0.00 -0.37 0.00 -1.94 0.00 0.00 57.00 54.93 1nfi n GLN 26 Cb 0.38 -1.45 -0.06 0.00 0.11 0.00 0.00 30.24 29.22 1nfi n GLN 26 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 1nfi s PRO 27 N -2.67 4.47 -0.47 -1.09 0.04 -1.26 0.31 135.00 134.33 1nfi s PRO 27 Ca 0.51 1.41 -0.27 0.00 0.04 0.00 0.00 61.00 62.70 1nfi s PRO 27 Cb -0.24 -2.75 -0.08 0.00 0.04 0.00 0.00 34.50 31.48 1nfi s PRO 27 CO 0.72 0.16 2.40 1.17 0.04 0.00 0.00 177.00 181.48 1nfi n LYS 28 N 0.42 1.14 0.00 4.56 3.00 0.87 -4.44 118.16 123.70 1nfi n LYS 28 Ca 0.03 0.08 0.03 0.00 -0.00 0.00 0.00 58.31 58.45 1nfi n LYS 28 Cb 0.50 -3.31 0.18 0.00 0.00 0.00 0.00 35.03 32.40 1nfi n LYS 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1nfi n GLN 29 N 8.93 0.80 -3.78 1.64 10.64 -1.26 -4.71 117.38 129.64 1nfi n GLN 29 Ca 0.37 0.00 -0.14 0.00 -1.83 0.00 0.00 57.00 55.40 1nfi n GLN 29 Cb 0.50 -1.12 -0.15 0.00 -0.86 0.00 0.00 30.24 28.61 1nfi n GLN 29 CO 0.00 0.00 0.00 1.03 -1.83 0.00 0.00 177.06 176.26 1nfi s ARG 30 N -2.00 -0.01 0.00 2.61 1.81 -1.26 -3.09 118.95 117.01 1nfi s ARG 30 Ca 0.09 0.19 0.00 0.00 -1.72 0.00 0.00 55.73 54.29 1nfi s ARG 30 Cb 0.04 -0.20 0.00 0.00 -0.45 0.00 0.00 34.95 34.34 1nfi s ARG 30 CO 0.07 -0.14 0.00 0.41 -0.68 0.00 0.00 175.30 174.96 1nfi n GLY 31 N 4.01 0.75 3.05 -3.53 0.00 -1.26 -5.02 105.19 103.20 1nfi n GLY 31 Ca -0.25 -0.40 -0.29 0.00 0.00 0.00 0.00 46.02 45.07 1nfi n GLY 31 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1nfi s MET 32 N -2.97 2.30 -0.53 1.61 0.00 -1.25 -4.97 119.30 113.50 1nfi s MET 32 Ca 0.00 -0.58 -0.22 0.00 0.00 0.00 0.00 55.69 54.89 1nfi s MET 32 Cb 0.00 -2.00 0.05 0.00 0.00 0.00 0.00 34.83 32.88 1nfi s MET 32 CO 0.00 -0.12 0.80 -0.98 0.00 0.00 0.00 175.02 174.73 1nfi s ARG 33 N 1.14 3.25 -0.36 4.11 1.70 -1.26 -1.33 118.95 126.20 1nfi s ARG 33 Ca -0.03 -0.50 -0.27 0.00 -0.47 0.00 0.00 55.73 54.46 1nfi s ARG 33 Cb -0.14 -4.06 -0.06 0.00 -0.57 0.00 0.00 34.95 30.12 1nfi s ARG 33 CO -0.05 -1.35 2.31 -0.06 -1.08 0.00 0.00 175.30 175.07 1nfi s PHE 34 N 3.38 1.12 0.54 5.89 0.08 -1.26 -4.91 117.98 122.81 1nfi s PHE 34 Ca 0.24 1.05 -0.22 0.00 0.12 0.00 0.00 56.93 58.13 1nfi s PHE 34 Cb -0.15 -3.76 -0.05 0.00 -0.57 0.00 0.00 43.02 38.49 1nfi s PHE 34 CO 0.16 -3.31 1.35 1.03 -0.10 0.00 0.00 175.22 174.35 1nfi s ARG 35 N 7.31 3.17 0.00 0.44 1.81 -0.08 -4.76 118.95 126.84 1nfi s ARG 35 Ca 0.99 2.20 0.00 0.00 -1.72 0.00 0.00 55.73 57.20 1nfi s ARG 35 Cb -0.25 -2.26 0.00 0.00 -0.45 0.00 0.00 34.95 31.99 1nfi s ARG 35 CO 0.30 -1.16 0.00 0.66 -0.68 0.00 0.00 175.30 174.43 1nfi n TYR 36 N -1.01 -2.10 -0.25 -0.53 4.02 -1.26 -2.16 117.16 113.88 1nfi n TYR 36 Ca 0.10 0.00 0.26 0.00 -0.01 0.00 0.00 57.90 58.25 1nfi n TYR 36 Cb 0.45 0.00 0.62 0.00 -0.02 0.00 0.00 39.34 40.40 1nfi n TYR 36 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 176.86 177.42 1nfi h LYS 37 N 0.00 0.19 -1.79 -0.72 -0.00 -1.97 -3.33 116.57 108.95 1nfi h LYS 37 Ca 0.00 -0.01 -0.30 0.00 -0.00 0.00 0.00 60.65 60.34 1nfi h LYS 37 Cb 0.00 -0.04 -0.29 0.00 -0.00 0.00 0.00 32.23 31.90 1nfi h LYS 37 CO 0.00 0.13 -0.63 0.00 -0.00 0.00 0.00 179.45 178.94 1nfi n GLU 39 N 4.45 3.46 -1.80 0.00 4.07 -1.25 -4.79 120.64 124.78 1nfi n GLU 39 Ca 0.09 -4.72 0.00 0.00 -0.06 0.00 0.00 57.16 52.47 1nfi n GLU 39 Cb 0.47 -2.26 0.00 0.00 -0.06 0.00 0.00 31.44 29.59 1nfi n GLU 39 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1nfi n GLY 40 N -0.30 0.86 5.00 8.31 0.00 -1.26 -4.24 105.19 113.56 1nfi n GLY 40 Ca 0.35 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1nfi n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nfi n ARG 41 N -0.46 0.00 0.00 1.61 5.12 -1.26 -4.51 116.66 117.16 1nfi n ARG 41 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1nfi n ARG 41 Cb 0.38 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.68 1nfi n ARG 41 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 1nfi n SER 42 N 1.49 0.00 0.00 0.55 3.41 -1.26 -5.00 113.62 112.81 1nfi n SER 42 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1nfi n SER 42 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1nfi n SER 42 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nfi n ALA 43 N -3.00 0.00 -3.00 7.33 0.00 -1.26 -4.56 120.51 116.02 1nfi n ALA 43 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1nfi n ALA 43 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1nfi n ALA 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nfi n GLY 44 N 0.00 4.94 3.30 0.00 0.00 -1.26 -5.17 105.19 106.99 1nfi n GLY 44 Ca 0.00 -1.14 -0.31 0.00 0.00 0.00 0.00 46.02 44.56 1nfi n GLY 44 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1nfi s SER 45 N 1.19 3.08 -0.14 1.61 0.01 -1.26 -4.27 113.70 113.93 1nfi s SER 45 Ca 0.00 -0.48 -0.29 0.00 1.31 0.00 0.00 55.95 56.49 1nfi s SER 45 Cb 0.00 -0.55 -0.05 0.00 0.21 0.00 0.00 66.02 65.62 1nfi s SER 45 CO 0.00 0.29 1.93 -0.63 0.41 0.00 0.00 173.24 175.24 1nfi s ILE 46 N -0.44 3.25 0.82 1.44 1.01 -0.95 -4.84 121.20 121.50 1nfi s ILE 46 Ca 0.05 0.28 -0.11 0.00 0.00 0.00 0.00 60.65 60.87 1nfi s ILE 46 Cb -0.11 -3.25 0.09 0.00 0.01 0.00 0.00 42.46 39.19 1nfi s ILE 46 CO 0.01 -0.10 1.10 -2.16 0.00 0.00 0.00 174.94 173.78 1nfi s PRO 47 N 5.16 1.83 1.00 2.79 0.04 -1.26 -4.11 135.00 140.44 1nfi s PRO 47 Ca 0.87 1.17 -0.15 0.00 0.04 0.00 0.00 61.00 62.93 1nfi s PRO 47 Cb -0.33 -1.85 0.19 0.00 0.04 0.00 0.00 34.50 32.55 1nfi s PRO 47 CO 0.35 -1.94 1.19 0.20 0.04 0.00 0.00 177.00 176.84 1nfi s GLY 48 N -3.26 1.64 0.00 0.56 0.00 -1.08 -0.09 107.32 105.09 1nfi s GLY 48 Ca 0.63 -0.84 0.18 0.00 0.00 0.00 0.00 44.72 44.68 1nfi s GLY 48 CO 0.57 -0.14 1.49 -2.21 0.00 0.00 0.00 173.10 172.81 1nfi n GLU 49 N -4.01 0.43 -2.12 2.90 4.07 0.91 -2.52 120.64 120.30 1nfi n GLU 49 Ca 0.11 0.05 0.00 0.00 -0.06 0.00 0.00 57.16 57.26 1nfi n GLU 49 Cb 0.59 -1.50 0.04 0.00 -0.06 0.00 0.00 31.44 30.51 1nfi n GLU 49 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 1nfi n ARG 50 N -1.12 0.86 -2.60 5.31 1.74 -1.26 -4.90 116.66 114.69 1nfi n ARG 50 Ca 0.11 -2.32 -0.41 0.00 -0.77 0.00 0.00 57.85 54.46 1nfi n ARG 50 Cb 0.09 -0.48 -0.03 0.00 -1.02 0.00 0.00 32.46 31.03 1nfi n ARG 50 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1nfi s SER 51 N -2.42 6.55 0.87 0.55 0.15 -1.05 -4.76 113.70 113.58 1nfi s SER 51 Ca 0.23 -1.60 -0.10 0.00 0.70 0.00 0.00 55.95 55.17 1nfi s SER 51 Cb 0.32 -2.55 0.12 0.00 -1.71 0.00 0.00 66.02 62.19 1nfi s SER 51 CO -0.09 -1.43 1.13 0.28 1.20 0.00 0.00 173.24 174.32 1nfi s THR 52 N 4.67 2.52 -0.92 6.45 -1.32 -1.26 -4.78 115.64 121.01 1nfi s THR 52 Ca 0.45 0.17 0.20 0.00 -1.21 0.00 0.00 61.69 61.30 1nfi s THR 52 Cb -0.00 -2.36 0.18 0.00 -1.51 0.00 0.00 72.50 68.80 1nfi s THR 52 CO -0.08 -0.22 1.63 -0.67 -2.21 0.00 0.00 174.62 173.07 1nfi n ASP 53 N -3.98 0.13 -0.02 8.08 -0.08 -1.26 -2.92 116.55 116.49 1nfi n ASP 53 Ca 0.11 0.53 -0.01 0.00 -1.51 0.00 0.00 54.79 53.90 1nfi n ASP 53 Cb 0.52 -0.56 -0.00 0.00 2.34 0.00 0.00 41.12 43.42 1nfi n ASP 53 CO 0.00 0.00 0.00 0.74 0.12 0.00 0.00 177.20 178.06 1nfi h THR 54 N 0.00 0.00 -3.08 5.18 2.02 -2.00 -3.43 112.91 111.61 1nfi h THR 54 Ca 0.00 -0.31 -0.73 0.00 0.77 0.00 0.00 66.41 66.14 1nfi h THR 54 Cb 0.36 0.00 -0.33 0.00 -1.74 0.00 0.00 68.15 66.43 1nfi h THR 54 CO 0.00 0.00 0.15 0.35 0.37 0.00 0.00 175.52 176.39 1nfi n THR 55 N -2.96 3.78 -1.56 3.16 -2.24 -1.24 -5.04 114.28 108.18 1nfi n THR 55 Ca -0.02 -5.39 -0.46 0.00 -2.27 0.00 0.00 64.05 55.91 1nfi n THR 55 Cb 0.07 -2.29 -0.05 0.00 -2.10 0.00 0.00 70.33 65.96 1nfi n THR 55 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1nfi n LYS 56 N 1.88 1.73 -3.39 -0.78 2.85 -1.15 -4.04 118.16 115.26 1nfi n LYS 56 Ca 0.25 0.51 -0.22 0.00 -1.05 0.00 0.00 58.31 57.79 1nfi n LYS 56 Cb 0.37 -2.88 0.03 0.00 -0.65 0.00 0.00 35.03 31.90 1nfi n LYS 56 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 1nfi s THR 57 N 7.22 1.96 0.27 0.58 -4.23 -1.26 -5.00 115.64 115.17 1nfi s THR 57 Ca 1.02 -1.21 0.03 0.00 -1.18 0.00 0.00 61.69 60.35 1nfi s THR 57 Cb -0.57 -2.16 -0.04 0.00 1.34 0.00 0.00 72.50 71.07 1nfi s THR 57 CO 0.43 0.00 0.19 -1.00 -0.54 0.00 0.00 174.62 173.69 1nfi s HIS 58 N -2.70 1.47 0.46 3.99 3.76 -1.26 -2.62 115.29 118.39 1nfi s HIS 58 Ca 0.50 -1.48 -0.24 0.00 -0.15 0.00 0.00 55.06 53.70 1nfi s HIS 58 Cb -0.04 -0.68 -0.09 0.00 1.11 0.00 0.00 32.58 32.88 1nfi s HIS 58 CO 0.31 -0.69 1.20 -2.30 -0.85 0.00 0.00 174.74 172.41 1nfi n PRO 59 N -0.46 1.66 -3.70 8.40 -0.02 -1.25 -4.42 135.00 135.21 1nfi n PRO 59 Ca 0.04 0.60 -0.12 0.00 -2.02 0.00 0.00 63.50 62.00 1nfi n PRO 59 Cb 0.64 -2.32 -0.12 0.00 -0.02 0.00 0.00 33.50 31.68 1nfi n PRO 59 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1nfi s THR 60 N -1.27 -0.17 0.49 3.45 2.01 -1.09 -2.22 115.64 116.84 1nfi s THR 60 Ca 0.65 0.16 0.07 0.00 0.31 0.00 0.00 61.69 62.88 1nfi s THR 60 Cb -0.49 -0.50 0.02 0.00 0.01 0.00 0.00 72.50 71.54 1nfi s THR 60 CO 0.55 0.06 0.44 0.27 -0.69 0.00 0.00 174.62 175.26 1nfi s ILE 61 N 1.67 2.20 -0.12 1.82 -4.36 -1.11 0.12 121.20 121.41 1nfi s ILE 61 Ca -0.07 -1.36 -0.04 0.00 -0.26 0.00 0.00 60.65 58.93 1nfi s ILE 61 Cb -0.10 -2.56 0.05 0.00 1.25 0.00 0.00 42.46 41.10 1nfi s ILE 61 CO -0.10 0.00 0.11 -0.75 0.24 0.00 0.00 174.94 174.44 1nfi s LYS 62 N -4.26 0.03 -0.57 0.37 2.20 -1.17 -3.29 119.74 113.06 1nfi s LYS 62 Ca 0.45 0.21 -0.28 0.00 -0.36 0.00 0.00 55.97 55.99 1nfi s LYS 62 Cb -0.03 -1.07 0.01 0.00 -1.51 0.00 0.00 37.83 35.23 1nfi s LYS 62 CO 0.27 -0.50 1.45 0.42 -0.36 0.00 0.00 175.35 176.63 1nfi s ILE 63 N 2.20 3.74 -0.34 5.43 -1.09 -1.19 -2.74 121.20 127.20 1nfi s ILE 63 Ca 0.04 0.61 -0.28 0.00 -2.23 0.00 0.00 60.65 58.78 1nfi s ILE 63 Cb -0.14 -4.40 0.02 0.00 -1.58 0.00 0.00 42.46 36.35 1nfi s ILE 63 CO -0.07 -1.17 1.05 0.21 -1.23 0.00 0.00 174.94 173.73 1nfi s ASN 64 N 4.74 6.85 0.00 3.58 3.84 0.28 -3.86 114.94 130.36 1nfi s ASN 64 Ca 0.53 0.89 0.00 0.00 0.21 0.00 0.00 52.86 54.50 1nfi s ASN 64 Cb -0.11 -2.53 0.00 0.00 -0.55 0.00 0.00 41.25 38.06 1nfi s ASN 64 CO 0.24 -0.91 0.00 0.61 -2.79 0.00 0.00 177.10 174.26 1nfi n GLY 65 N 4.08 1.04 3.43 1.21 0.00 -1.26 -2.77 105.19 110.91 1nfi n GLY 65 Ca 0.11 -0.47 0.01 0.00 0.00 0.00 0.00 46.02 45.67 1nfi n GLY 65 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1nfi s TYR 66 N -2.00 -0.62 -0.28 1.61 6.14 -1.25 -4.97 117.35 115.98 1nfi s TYR 66 Ca 0.00 1.10 0.09 0.00 0.64 0.00 0.00 57.07 58.90 1nfi s TYR 66 Cb 0.00 0.37 0.46 0.00 0.42 0.00 0.00 41.96 43.21 1nfi s TYR 66 CO 0.00 -0.31 1.18 0.25 0.64 0.00 0.00 175.55 177.32 1nfi n THR 67 N 4.73 2.36 -2.77 4.34 -2.24 -1.26 -4.79 114.28 114.65 1nfi n THR 67 Ca -0.10 -4.00 0.00 0.00 -2.27 0.00 0.00 64.05 57.67 1nfi n THR 67 Cb 0.53 -0.82 0.00 0.00 -2.10 0.00 0.00 70.33 67.94 1nfi n THR 67 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1nfi n GLY 68 N -0.72 6.87 3.73 3.38 0.00 -1.26 -3.51 105.19 113.68 1nfi n GLY 68 Ca 0.38 -1.87 -0.42 0.00 0.00 0.00 0.00 46.02 44.12 1nfi n GLY 68 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1nfi s PRO 69 N 1.23 4.24 0.06 1.61 0.02 -1.26 -4.14 135.00 136.76 1nfi s PRO 69 Ca 0.00 2.31 -0.03 0.00 0.02 0.00 0.00 61.00 63.30 1nfi s PRO 69 Cb 0.00 -3.15 0.01 0.00 0.02 0.00 0.00 34.50 31.38 1nfi s PRO 69 CO 0.00 -0.53 0.16 0.41 -0.33 0.00 0.00 177.00 176.71 1nfi n GLY 70 N 3.24 1.59 2.89 0.52 0.00 -1.18 -4.24 105.19 108.01 1nfi n GLY 70 Ca 0.11 -1.02 -0.12 0.00 0.00 0.00 0.00 46.02 44.99 1nfi n GLY 70 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nfi s THR 71 N -2.71 -0.00 -0.10 2.61 2.01 -0.50 -0.09 115.64 116.86 1nfi s THR 71 Ca 0.03 0.01 0.04 0.00 0.31 0.00 0.00 61.69 62.08 1nfi s THR 71 Cb -0.01 -0.04 -0.00 0.00 0.01 0.00 0.00 72.50 72.46 1nfi s THR 71 CO 0.02 0.00 -0.23 0.54 -0.69 0.00 0.00 174.62 174.26 1nfi s VAL 72 N 0.06 2.15 -0.35 3.82 0.11 0.33 0.13 120.40 126.66 1nfi s VAL 72 Ca -0.00 -1.00 -0.05 0.00 -2.93 0.00 0.00 61.98 58.00 1nfi s VAL 72 Cb -0.01 -1.82 0.06 0.00 -1.53 0.00 0.00 36.38 33.08 1nfi s VAL 72 CO -0.00 0.56 0.11 -0.60 -3.33 0.00 0.00 175.10 171.84 1nfi s ARG 73 N 0.25 2.48 -0.53 1.54 6.06 0.34 -2.82 118.95 126.28 1nfi s ARG 73 Ca -0.16 -1.32 -0.20 0.00 -2.50 0.00 0.00 55.73 51.56 1nfi s ARG 73 Cb -0.17 -3.44 0.07 0.00 0.06 0.00 0.00 34.95 31.46 1nfi s ARG 73 CO 0.08 -0.74 0.67 0.42 -2.50 0.00 0.00 175.30 173.23 1nfi s ILE 74 N 1.33 4.81 0.27 4.11 -1.09 -0.00 -1.64 121.20 128.99 1nfi s ILE 74 Ca -0.01 -0.52 0.11 0.00 -2.23 0.00 0.00 60.65 58.01 1nfi s ILE 74 Cb -0.20 -4.36 -0.05 0.00 -1.58 0.00 0.00 42.46 36.26 1nfi s ILE 74 CO 0.01 -0.91 -0.15 -0.55 -1.23 0.00 0.00 174.94 172.11 1nfi s SER 75 N 2.90 3.82 -0.35 3.58 0.15 -0.65 -0.88 113.70 122.26 1nfi s SER 75 Ca 0.16 -0.93 -0.09 0.00 0.70 0.00 0.00 55.95 55.79 1nfi s SER 75 Cb -0.19 -0.43 0.03 0.00 -1.71 0.00 0.00 66.02 63.71 1nfi s SER 75 CO 0.11 0.03 0.16 -0.76 1.20 0.00 0.00 173.24 173.99 1nfi s LEU 76 N -3.51 4.48 0.54 3.45 1.43 -1.26 0.48 118.68 124.29 1nfi s LEU 76 Ca 0.30 -0.97 0.07 0.00 -1.03 0.00 0.00 54.13 52.50 1nfi s LEU 76 Cb -0.05 -1.97 0.05 0.00 0.03 0.00 0.00 46.19 44.25 1nfi s LEU 76 CO 0.16 -0.34 0.54 0.68 0.23 0.00 0.00 176.35 177.63 1nfi s VAL 77 N 1.51 1.96 0.06 -1.59 -7.23 -0.86 0.27 120.40 114.52 1nfi s VAL 77 Ca 0.01 -1.29 -0.18 0.00 -1.81 0.00 0.00 61.98 58.71 1nfi s VAL 77 Cb -0.19 -2.25 -0.06 0.00 0.56 0.00 0.00 36.38 34.44 1nfi s VAL 77 CO 0.05 0.00 0.52 -0.89 -0.31 0.00 0.00 175.10 174.48 1nfi s THR 78 N -2.70 4.83 0.00 5.32 2.01 -0.43 -2.42 115.64 122.25 1nfi s THR 78 Ca 0.46 1.08 0.00 0.00 0.31 0.00 0.00 61.69 63.53 1nfi s THR 78 Cb -0.04 -3.83 0.00 0.00 0.01 0.00 0.00 72.50 68.64 1nfi s THR 78 CO 0.28 0.53 0.67 1.17 -0.69 0.00 0.00 174.62 176.58 1nfi n LYS 79 N 1.65 0.00 -0.59 4.92 4.81 -1.26 -4.13 118.16 123.56 1nfi n LYS 79 Ca -0.11 0.52 -0.30 0.00 -0.87 0.00 0.00 58.31 57.55 1nfi n LYS 79 Cb 0.51 -1.17 0.21 0.00 0.02 0.00 0.00 35.03 34.61 1nfi n LYS 79 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1nfi n ASP 80 N -1.47 -1.57 -0.45 3.14 8.00 -1.26 -4.81 116.55 118.13 1nfi n ASP 80 Ca 0.00 -0.00 0.37 0.00 0.71 0.00 0.00 54.79 55.87 1nfi n ASP 80 Cb 0.00 -1.22 0.60 0.00 -0.02 0.00 0.00 41.12 40.48 1nfi n ASP 80 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1nfi n PRO 81 N -3.84 -0.02 -0.17 -0.24 -0.04 -1.26 -2.34 135.00 127.10 1nfi n PRO 81 Ca 0.04 0.99 0.06 0.00 -0.04 0.00 0.00 63.50 64.55 1nfi n PRO 81 Cb 0.55 -2.05 0.36 0.00 -0.04 0.00 0.00 33.50 32.33 1nfi n PRO 81 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 1nfi h PRO 82 N 0.00 0.72 -6.42 0.54 0.13 -1.89 -3.47 132.00 121.59 1nfi h PRO 82 Ca 0.74 -0.04 -0.33 0.00 -0.87 0.00 0.00 66.00 65.50 1nfi h PRO 82 Cb 2.60 -0.16 0.02 0.00 0.13 0.00 0.00 31.00 33.58 1nfi h PRO 82 CO -0.26 0.47 -1.14 0.72 -0.23 0.00 0.00 178.00 177.56 1nfi n HIS 83 N -4.48 -2.62 -4.44 1.56 8.25 -0.99 -4.99 115.22 107.52 1nfi n HIS 83 Ca 0.10 1.09 -0.21 0.00 -0.26 0.00 0.00 57.72 58.44 1nfi n HIS 83 Cb 0.21 -1.95 -0.10 0.00 1.12 0.00 0.00 29.99 29.26 1nfi n HIS 83 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1nfi s ARG 84 N -2.37 1.60 -0.15 -0.41 3.00 -1.26 -4.78 118.95 114.58 1nfi s ARG 84 Ca 0.35 -1.85 -0.29 0.00 0.00 0.00 0.00 55.73 53.94 1nfi s ARG 84 Cb -0.04 -1.02 -0.06 0.00 0.00 0.00 0.00 34.95 33.83 1nfi s ARG 84 CO 0.81 -0.07 2.08 -1.25 0.00 0.00 0.00 175.30 176.88 1nfi s PRO 85 N -3.81 3.48 0.35 3.54 0.04 -1.26 -1.32 135.00 136.02 1nfi s PRO 85 Ca 0.33 2.14 -0.28 0.00 0.04 0.00 0.00 61.00 63.23 1nfi s PRO 85 Cb 0.06 -4.28 -0.10 0.00 0.04 0.00 0.00 34.50 30.23 1nfi s PRO 85 CO 0.13 -1.71 1.26 -1.58 0.04 0.00 0.00 177.00 175.15 1nfi s HIS 86 N 6.91 3.08 0.32 0.56 2.46 0.14 -4.91 115.29 123.86 1nfi s HIS 86 Ca 0.94 1.47 0.09 0.00 0.47 0.00 0.00 55.06 58.03 1nfi s HIS 86 Cb -0.35 -3.59 0.85 0.00 -0.13 0.00 0.00 32.58 29.36 1nfi s HIS 86 CO 0.36 -1.66 1.75 -1.35 -2.47 0.00 0.00 174.74 171.38 1nfi h PRO 87 N 3.21 0.62 -7.13 2.88 0.11 -1.91 -3.43 132.00 126.35 1nfi h PRO 87 Ca -0.49 -0.04 -0.53 0.00 0.11 0.00 0.00 66.00 65.05 1nfi h PRO 87 Cb 1.23 -0.14 0.19 0.00 0.11 0.00 0.00 31.00 32.39 1nfi h PRO 87 CO 0.65 0.41 0.16 0.72 -0.21 0.00 0.00 178.00 179.73 1nfi n HIS 88 N -4.81 0.75 -4.02 0.65 8.25 -1.26 -4.72 115.22 110.05 1nfi n HIS 88 Ca 0.25 0.38 -0.31 0.00 -0.26 0.00 0.00 57.72 57.79 1nfi n HIS 88 Cb 0.69 -2.04 -0.16 0.00 1.12 0.00 0.00 29.99 29.60 1nfi n HIS 88 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 1nfi s GLU 89 N -4.07 2.29 -0.35 -0.41 2.12 -1.20 -4.87 118.70 112.22 1nfi s GLU 89 Ca 0.70 -0.68 -0.29 0.00 0.36 0.00 0.00 54.97 55.06 1nfi s GLU 89 Cb -0.27 -2.26 -0.00 0.00 0.26 0.00 0.00 34.13 31.85 1nfi s GLU 89 CO 0.55 -0.29 1.55 -0.51 -0.54 0.00 0.00 175.26 176.01 1nfi s LEU 90 N 1.43 3.63 0.45 2.70 1.43 -1.20 -2.54 118.68 124.59 1nfi s LEU 90 Ca 0.03 1.12 0.08 0.00 -1.03 0.00 0.00 54.13 54.33 1nfi s LEU 90 Cb -0.14 -3.53 0.01 0.00 0.03 0.00 0.00 46.19 42.56 1nfi s LEU 90 CO -0.10 -1.46 0.53 0.68 0.23 0.00 0.00 176.35 176.23 1nfi s VAL 91 N 5.74 2.66 -2.00 -1.59 -7.23 -0.97 -3.42 120.40 113.58 1nfi s VAL 91 Ca 0.68 -1.15 0.00 0.00 -1.81 0.00 0.00 61.98 59.70 1nfi s VAL 91 Cb -0.18 -2.81 0.00 0.00 0.56 0.00 0.00 36.38 33.95 1nfi s VAL 91 CO 0.32 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.72 1nfi n GLY 92 N -1.80 0.57 3.73 2.32 0.00 -1.26 -2.04 105.19 106.70 1nfi n GLY 92 Ca 0.07 -2.14 -0.42 0.00 0.00 0.00 0.00 46.02 43.53 1nfi n GLY 92 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1nfi s LYS 93 N -0.80 4.35 -1.28 1.61 2.20 -1.26 -2.94 119.74 121.61 1nfi s LYS 93 Ca 0.00 2.06 -0.04 0.00 -0.36 0.00 0.00 55.97 57.62 1nfi s LYS 93 Cb 0.00 -3.23 0.00 0.00 -1.51 0.00 0.00 37.83 33.10 1nfi s LYS 93 CO 0.00 -0.35 0.58 -0.25 -0.36 0.00 0.00 175.35 174.97 1nfi n ASP 94 N 3.34 -5.45 -4.26 1.43 8.00 -1.26 -4.88 116.55 113.47 1nfi n ASP 94 Ca 0.09 -0.27 -0.29 0.00 0.71 0.00 0.00 54.79 55.03 1nfi n ASP 94 Cb 0.43 -4.26 -0.16 0.00 -0.02 0.00 0.00 41.12 37.11 1nfi n ASP 94 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1nfi n ARG 96 N 2.50 0.77 -0.11 0.00 1.74 0.22 -4.80 116.66 116.98 1nfi n ARG 96 Ca -0.16 0.00 -0.00 0.00 -0.77 0.00 0.00 57.85 56.92 1nfi n ARG 96 Cb 0.52 0.00 -0.00 0.00 -1.02 0.00 0.00 32.46 31.96 1nfi n ARG 96 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1nfi n ASP 97 N 0.00 0.01 0.00 0.55 8.00 -1.26 -3.32 116.55 120.53 1nfi n ASP 97 Ca 0.00 -1.69 0.00 0.00 0.71 0.00 0.00 54.79 53.81 1nfi n ASP 97 Cb 0.00 -0.40 0.00 0.00 -0.02 0.00 0.00 41.12 40.70 1nfi n ASP 97 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1nfi n GLY 98 N 3.70 0.48 3.34 0.44 0.00 -1.26 -4.92 105.19 106.97 1nfi n GLY 98 Ca 0.00 -0.92 -0.10 0.00 0.00 0.00 0.00 46.02 45.00 1nfi n GLY 98 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1nfi s PHE 99 N -2.00 -0.20 -0.19 1.61 -0.12 -1.21 -3.20 117.98 112.67 1nfi s PHE 99 Ca 0.00 -0.12 -0.09 0.00 -0.05 0.00 0.00 56.93 56.67 1nfi s PHE 99 Cb 0.00 0.27 -0.04 0.00 -0.63 0.00 0.00 43.02 42.62 1nfi s PHE 99 CO 0.00 -0.73 0.09 -0.47 -0.05 0.00 0.00 175.22 174.07 1nfi s TYR 100 N -3.81 3.31 -0.21 3.49 6.14 -0.06 0.72 117.35 126.93 1nfi s TYR 100 Ca 0.04 0.17 -0.01 0.00 0.64 0.00 0.00 57.07 57.91 1nfi s TYR 100 Cb 0.02 -2.13 0.06 0.00 0.42 0.00 0.00 41.96 40.33 1nfi s TYR 100 CO -0.11 0.19 -0.02 -2.00 0.64 0.00 0.00 175.55 174.25 1nfi s GLU 101 N 0.44 1.21 0.15 4.97 2.56 0.36 -0.82 118.70 127.57 1nfi s GLU 101 Ca 0.05 -0.71 -0.08 0.00 0.00 0.00 0.00 54.97 54.23 1nfi s GLU 101 Cb -0.12 -2.33 -0.01 0.00 2.00 0.00 0.00 34.13 33.67 1nfi s GLU 101 CO -0.00 -0.60 0.24 0.00 -0.56 0.00 0.00 175.26 174.35 1nfi s ALA 102 N 1.61 0.08 -0.12 6.30 0.00 -1.13 -4.77 121.76 123.73 1nfi s ALA 102 Ca -0.03 -0.92 -0.05 0.00 0.00 0.00 0.00 51.96 50.95 1nfi s ALA 102 Cb -0.18 0.81 -0.04 0.00 0.00 0.00 0.00 23.12 23.72 1nfi s ALA 102 CO -0.07 -0.61 0.09 -1.21 0.00 0.00 0.00 175.76 173.96 1nfi s GLU 103 N -3.96 3.37 -0.28 0.00 2.02 -1.26 -0.51 118.70 118.08 1nfi s GLU 103 Ca 0.16 -0.24 -0.28 0.00 0.02 0.00 0.00 54.97 54.63 1nfi s GLU 103 Cb 0.04 -3.07 -0.03 0.00 0.10 0.00 0.00 34.13 31.17 1nfi s GLU 103 CO -0.01 0.69 1.88 -0.51 0.02 0.00 0.00 175.26 177.32 1nfi s LEU 104 N -0.79 3.55 0.02 1.80 1.43 0.87 -4.91 118.68 120.65 1nfi s LEU 104 Ca 0.13 1.51 -0.30 0.00 -1.03 0.00 0.00 54.13 54.44 1nfi s LEU 104 Cb -0.12 -3.52 -0.09 0.00 0.03 0.00 0.00 46.19 42.49 1nfi s LEU 104 CO 0.03 -1.70 1.99 0.00 0.23 0.00 0.00 176.35 176.90 1nfi n PRO 106 N 7.63 0.00 0.00 0.00 -0.02 -1.26 -3.75 135.00 137.60 1nfi n PRO 106 Ca 0.21 -0.68 0.00 0.00 -2.02 0.00 0.00 63.50 61.01 1nfi n PRO 106 Cb 0.41 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 1nfi n PRO 106 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1nfi n ASP 107 N 6.93 0.00 -2.94 2.55 9.92 -1.23 -4.87 116.55 126.91 1nfi n ASP 107 Ca 0.27 0.00 -0.08 0.00 -0.53 0.00 0.00 54.79 54.45 1nfi n ASP 107 Cb 0.28 0.19 0.04 0.00 -0.64 0.00 0.00 41.12 40.99 1nfi n ASP 107 CO 0.00 0.00 0.00 -2.11 0.13 0.00 0.00 177.20 175.22 1nfi n ARG 108 N -1.72 0.50 -0.84 -1.24 1.85 -1.25 -4.79 116.66 109.18 1nfi n ARG 108 Ca 0.00 -1.01 0.01 0.00 -1.00 0.00 0.00 57.85 55.85 1nfi n ARG 108 Cb 0.00 -0.19 0.00 0.00 -1.05 0.00 0.00 32.46 31.22 1nfi n ARG 108 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1nfi n ILE 110 N 0.15 3.05 -2.09 0.00 3.06 -1.26 -3.18 119.36 119.10 1nfi n ILE 110 Ca -0.00 -5.33 -0.42 0.00 -2.50 0.00 0.00 62.75 54.50 1nfi n ILE 110 Cb 0.82 -1.36 -0.03 0.00 0.54 0.00 0.00 39.64 39.61 1nfi n ILE 110 CO 0.00 0.00 0.00 -1.00 -2.50 0.00 0.00 176.55 173.05 1nfi s HIS 111 N -3.58 2.39 -0.46 9.51 3.76 -1.21 -4.94 115.29 120.77 1nfi s HIS 111 Ca 0.48 0.47 -0.06 0.00 -0.15 0.00 0.00 55.06 55.80 1nfi s HIS 111 Cb 0.32 -3.82 0.12 0.00 1.11 0.00 0.00 32.58 30.31 1nfi s HIS 111 CO -0.17 -3.28 0.29 -1.12 -0.85 0.00 0.00 174.74 169.61 1nfi s SER 112 N 2.61 5.47 -0.94 1.40 0.01 -1.26 -2.77 113.70 118.22 1nfi s SER 112 Ca 0.69 -2.04 -0.24 0.00 1.31 0.00 0.00 55.95 55.67 1nfi s SER 112 Cb -0.33 -1.92 -0.04 0.00 0.21 0.00 0.00 66.02 63.95 1nfi s SER 112 CO 0.28 -0.60 1.88 -0.36 0.41 0.00 0.00 173.24 174.85 1nfi s PHE 113 N 1.15 1.92 0.00 2.43 0.08 -0.94 -4.92 117.98 117.70 1nfi s PHE 113 Ca 0.08 0.41 0.00 0.00 0.12 0.00 0.00 56.93 57.54 1nfi s PHE 113 Cb -0.24 -4.13 0.00 0.00 -0.57 0.00 0.00 43.02 38.08 1nfi s PHE 113 CO -0.03 -1.73 0.00 1.04 -0.10 0.00 0.00 175.22 174.40 1nfi n GLN 114 N 8.82 0.00 -1.66 0.44 1.13 -1.26 -4.21 117.38 120.64 1nfi n GLN 114 Ca 0.40 0.00 -0.46 0.00 -1.94 0.00 0.00 57.00 55.00 1nfi n GLN 114 Cb 0.47 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.79 1nfi n GLN 114 CO 0.00 0.00 0.00 0.27 -1.44 0.00 0.00 177.06 175.89 1nfi n ASN 115 N 0.00 2.72 -3.73 1.08 6.94 -1.26 -4.62 115.26 116.40 1nfi n ASN 115 Ca 0.00 1.13 -0.14 0.00 -0.02 0.00 0.00 54.58 55.55 1nfi n ASN 115 Cb 0.00 -1.41 -0.09 0.00 -2.36 0.00 0.00 39.78 35.92 1nfi n ASN 115 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 1nfi s LEU 116 N 0.36 0.50 0.14 -4.53 1.98 -1.26 -4.60 118.68 111.26 1nfi s LEU 116 Ca 0.72 0.56 0.01 0.00 -2.89 0.00 0.00 54.13 52.53 1nfi s LEU 116 Cb -0.68 1.44 -0.04 0.00 0.66 0.00 0.00 46.19 47.57 1nfi s LEU 116 CO 0.46 -0.29 -0.00 -0.83 -1.89 0.00 0.00 176.35 173.81 1nfi s GLY 117 N -0.44 1.04 -0.10 7.98 0.00 -0.87 -2.24 107.32 112.70 1nfi s GLY 117 Ca -0.06 -1.50 -0.01 0.00 0.00 0.00 0.00 44.72 43.16 1nfi s GLY 117 CO 0.03 -1.47 -0.04 -0.42 0.00 0.00 0.00 173.10 171.20 1nfi s ILE 118 N -3.75 0.75 0.27 0.90 1.01 -1.26 -2.29 121.20 116.83 1nfi s ILE 118 Ca 0.21 -0.13 0.07 0.00 0.00 0.00 0.00 60.65 60.79 1nfi s ILE 118 Cb 0.06 -0.84 -0.03 0.00 0.01 0.00 0.00 42.46 41.66 1nfi s ILE 118 CO 0.01 0.31 0.25 -1.10 0.00 0.00 0.00 174.94 174.40 1nfi s GLN 119 N 1.82 2.96 0.21 2.79 -0.21 -1.05 -0.90 119.66 125.28 1nfi s GLN 119 Ca 0.05 -1.06 0.07 0.00 0.02 0.00 0.00 55.36 54.44 1nfi s GLN 119 Cb -0.13 -2.60 -0.04 0.00 1.00 0.00 0.00 33.01 31.25 1nfi s GLN 119 CO -0.07 0.33 0.11 0.00 -2.12 0.00 0.00 175.29 173.55 1nfi s VAL 121 N -1.96 3.03 0.39 0.00 1.01 -1.26 -4.79 120.40 116.83 1nfi s VAL 121 Ca 0.31 -3.01 -0.12 0.00 0.00 0.00 0.00 61.98 59.16 1nfi s VAL 121 Cb -0.09 -3.06 -0.10 0.00 0.00 0.00 0.00 36.38 33.14 1nfi s VAL 121 CO 0.22 -0.80 -0.15 1.17 0.00 0.00 0.00 175.10 175.54 1nfi n LYS 122 N 3.46 0.00 0.10 2.72 4.81 -1.26 -4.63 118.16 123.36 1nfi n LYS 122 Ca 0.05 0.00 0.03 0.00 -0.87 0.00 0.00 58.31 57.52 1nfi n LYS 122 Cb 0.36 -0.68 0.14 0.00 0.02 0.00 0.00 35.03 34.87 1nfi n LYS 122 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1nfi n LYS 123 N 1.13 0.04 -0.03 1.64 4.81 -1.26 -1.01 118.16 123.47 1nfi n LYS 123 Ca 0.04 0.40 0.02 0.00 -0.87 0.00 0.00 58.31 57.91 1nfi n LYS 123 Cb 0.33 -2.02 0.04 0.00 0.02 0.00 0.00 35.03 33.40 1nfi n LYS 123 CO 0.00 0.00 0.00 2.89 1.17 0.00 0.00 177.40 181.46 1nfi n ARG 124 N -1.65 1.00 -0.64 1.64 -4.01 -1.26 -4.63 116.66 107.10 1nfi n ARG 124 Ca -0.00 -1.17 0.01 0.00 -1.04 0.00 0.00 57.85 55.65 1nfi n ARG 124 Cb 0.40 -1.10 0.20 0.00 -3.04 0.00 0.00 32.46 28.93 1nfi n ARG 124 CO 0.00 0.00 0.00 -3.47 -3.04 0.00 0.00 177.63 171.12 1nfi n ASP 125 N 0.13 2.33 0.22 2.89 -0.08 -0.18 -4.77 116.55 117.08 1nfi n ASP 125 Ca 0.04 -3.70 -0.09 0.00 -1.51 0.00 0.00 54.79 49.53 1nfi n ASP 125 Cb 0.20 -0.58 -0.04 0.00 2.34 0.00 0.00 41.12 43.04 1nfi n ASP 125 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 1nfi h LEU 126 N 0.98 -0.50 -2.30 -2.67 -0.00 -1.82 -0.09 115.31 108.91 1nfi h LEU 126 Ca 0.11 0.02 0.00 0.00 -0.00 0.00 0.00 57.88 58.01 1nfi h LEU 126 Cb 1.37 0.13 0.00 0.00 -0.00 0.00 0.00 40.66 42.16 1nfi h LEU 126 CO 0.21 -0.21 0.11 -0.33 -0.00 0.00 0.00 178.44 178.22 1nfi h GLU 127 N -0.88 0.00 0.16 1.13 5.08 -1.96 0.61 114.58 118.73 1nfi h GLU 127 Ca -0.06 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 57.97 1nfi h GLU 127 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1nfi h GLU 127 CO 0.10 0.00 -1.66 0.37 -1.00 0.00 0.00 179.01 176.81 1nfi h GLN 128 N 0.00 0.35 -0.20 2.33 -0.00 -1.87 -3.00 115.11 112.72 1nfi h GLN 128 Ca 0.00 -0.59 -0.15 0.00 -0.00 0.00 0.00 58.65 57.91 1nfi h GLN 128 Cb 0.22 0.22 -0.01 0.00 0.00 0.00 0.00 27.48 27.91 1nfi h GLN 128 CO 0.00 1.28 -0.51 0.00 0.00 0.00 0.00 178.83 179.60 1nfi h ALA 129 N 0.06 0.74 0.00 3.38 0.00 0.99 -2.64 119.26 121.80 1nfi h ALA 129 Ca -0.34 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.08 1nfi h ALA 129 Cb 2.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.70 1nfi h ALA 129 CO 0.14 0.68 0.00 0.82 0.00 0.00 0.00 179.25 180.89 1nfi h ILE 130 N 0.43 0.00 0.02 0.00 1.08 0.01 -2.42 117.51 116.62 1nfi h ILE 130 Ca 0.02 -0.53 -0.00 0.00 -0.39 0.00 0.00 64.86 63.95 1nfi h ILE 130 Cb 1.04 1.49 0.00 0.00 -3.07 0.00 0.00 36.82 36.27 1nfi h ILE 130 CO 0.10 0.00 -0.01 0.77 -0.69 0.00 0.00 178.15 178.32 1nfi h SER 131 N 0.00 -0.02 0.00 1.72 4.64 -1.33 -3.05 113.55 115.51 1nfi h SER 131 Ca 0.00 -0.73 0.00 0.00 -0.47 0.00 0.00 61.79 60.59 1nfi h SER 131 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 1nfi h SER 131 CO 0.00 0.82 0.00 1.67 -0.87 0.00 0.00 176.83 178.45 1nfi n GLN 132 N -4.69 0.54 -0.01 4.77 7.27 -1.02 -1.28 117.38 122.96 1nfi n GLN 132 Ca -0.08 0.00 0.09 0.00 0.07 0.00 0.00 57.00 57.08 1nfi n GLN 132 Cb 0.36 -1.24 -0.14 0.00 2.41 0.00 0.00 30.24 31.64 1nfi n GLN 132 CO 0.00 0.00 0.00 -2.13 0.07 0.00 0.00 177.06 175.00 1nfi n ARG 133 N -0.74 0.65 -0.01 3.69 3.00 -0.92 -4.24 116.66 118.10 1nfi n ARG 133 Ca 0.06 -0.14 0.04 0.00 -0.00 0.00 0.00 57.85 57.82 1nfi n ARG 133 Cb 0.03 -1.43 -0.07 0.00 0.00 0.00 0.00 32.46 30.99 1nfi n ARG 133 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.63 178.07 1nfi n ILE 134 N -2.00 0.05 -0.06 5.15 -5.35 -0.41 -1.86 119.36 114.88 1nfi n ILE 134 Ca -0.02 -0.23 -0.09 0.00 -0.27 0.00 0.00 62.75 62.14 1nfi n ILE 134 Cb 0.45 0.20 0.06 0.00 -1.74 0.00 0.00 39.64 38.60 1nfi n ILE 134 CO 0.00 0.00 0.00 0.06 -1.76 0.00 0.00 176.55 174.85 1nfi h GLN 135 N 0.00 0.74 -0.01 6.28 3.07 -1.43 -2.06 115.11 121.70 1nfi h GLN 135 Ca -0.02 -0.37 0.00 0.00 0.09 0.00 0.00 58.65 58.35 1nfi h GLN 135 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.08 1nfi h GLN 135 CO 0.00 0.99 -0.47 0.25 0.09 0.00 0.00 178.83 179.69 1nfi n THR 136 N -4.05 0.00 -1.89 1.86 -2.24 -1.26 -5.05 114.28 101.65 1nfi n THR 136 Ca -0.01 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 1nfi n THR 136 Cb 0.51 1.20 0.00 0.00 -2.10 0.00 0.00 70.33 69.94 1nfi n THR 136 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1nfi n ASN 137 N -0.07 -4.42 0.01 3.42 6.94 -0.78 -4.93 115.26 115.44 1nfi n ASN 137 Ca 0.09 0.50 -0.08 0.00 -0.02 0.00 0.00 54.58 55.08 1nfi n ASN 137 Cb 0.46 -0.92 -0.13 0.00 -2.36 0.00 0.00 39.78 36.83 1nfi n ASN 137 CO 0.00 0.00 0.00 0.78 -1.03 0.00 0.00 177.26 177.01 1nfi h ASN 138 N 3.56 0.00 0.00 0.53 2.35 -1.69 -3.48 115.58 116.85 1nfi h ASN 138 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1nfi h ASN 138 Cb 0.12 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.49 1nfi h ASN 138 CO 0.00 1.00 0.00 0.59 -1.65 0.00 0.00 177.43 177.37 1nfi n ASN 139 N -3.17 0.00 0.22 5.81 3.02 -1.26 -4.76 115.26 115.12 1nfi n ASN 139 Ca -0.10 0.00 0.07 0.00 -0.03 0.00 0.00 54.58 54.52 1nfi n ASN 139 Cb 1.00 0.00 0.51 0.00 -0.61 0.00 0.00 39.78 40.68 1nfi n ASN 139 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 1nfi h PRO 140 N 0.00 0.00 0.00 3.52 0.11 -1.92 -2.83 132.00 130.87 1nfi h PRO 140 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1nfi h PRO 140 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1nfi h PRO 140 CO 0.00 0.24 -0.62 1.19 -0.21 0.00 0.00 178.00 178.61 1nfi n PHE 141 N -3.93 0.00 -1.26 0.65 3.72 -1.26 -4.70 117.46 110.68 1nfi n PHE 141 Ca -0.02 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.29 1nfi n PHE 141 Cb 0.33 -0.02 -0.04 0.00 -0.94 0.00 0.00 39.48 38.81 1nfi n PHE 141 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1nfi n GLN 142 N -1.32 -0.96 -1.36 -1.08 6.02 -1.07 -4.96 117.38 112.65 1nfi n GLN 142 Ca 0.02 0.76 -0.38 0.00 -0.01 0.00 0.00 57.00 57.39 1nfi n GLN 142 Cb 0.19 -4.75 0.04 0.00 1.02 0.00 0.00 30.24 26.75 1nfi n GLN 142 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 1nfi n VAL 143 N -2.57 1.75 -1.29 5.09 0.24 -1.26 -4.58 118.33 115.71 1nfi n VAL 143 Ca -0.09 -0.47 -0.58 0.00 -2.04 0.00 0.00 64.34 61.16 1nfi n VAL 143 Cb 0.38 -0.59 -0.11 0.00 -1.47 0.00 0.00 33.84 32.04 1nfi n VAL 143 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 1nfi n PRO 144 N 0.02 0.14 0.00 7.34 -0.02 -1.26 -4.73 135.00 136.48 1nfi n PRO 144 Ca 0.10 0.04 0.01 0.00 -2.02 0.00 0.00 63.50 61.63 1nfi n PRO 144 Cb 0.48 -1.63 0.04 0.00 -0.02 0.00 0.00 33.50 32.38 1nfi n PRO 144 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1nfi n ILE 145 N 6.64 1.47 -1.04 4.25 5.41 -1.26 -1.51 119.36 133.32 1nfi n ILE 145 Ca 0.54 0.37 -0.04 0.00 1.00 0.00 0.00 62.75 64.62 1nfi n ILE 145 Cb -0.00 -1.34 0.32 0.00 -0.71 0.00 0.00 39.64 37.91 1nfi n ILE 145 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 176.55 174.71 1nfi n GLU 146 N -1.39 3.86 -0.04 0.38 -0.00 -1.26 -4.10 120.64 118.09 1nfi n GLU 146 Ca 0.01 -3.11 0.03 0.00 -0.00 0.00 0.00 57.16 54.09 1nfi n GLU 146 Cb 0.02 -2.21 0.04 0.00 -0.00 0.00 0.00 31.44 29.29 1nfi n GLU 146 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1nfi n GLU 147 N -0.07 2.22 -0.09 3.44 1.02 -0.57 -4.63 120.64 121.96 1nfi n GLU 147 Ca 0.39 -1.75 0.04 0.00 -0.02 0.00 0.00 57.16 55.82 1nfi n GLU 147 Cb 1.35 -1.11 0.16 0.00 -0.02 0.00 0.00 31.44 31.82 1nfi n GLU 147 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1nfi n GLN 148 N -0.74 1.44 0.00 3.49 6.02 -1.26 -3.62 117.38 122.72 1nfi n GLN 148 Ca 0.05 -0.69 0.13 0.00 -0.01 0.00 0.00 57.00 56.48 1nfi n GLN 148 Cb 0.39 -1.19 0.80 0.00 1.02 0.00 0.00 30.24 31.26 1nfi n GLN 148 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1nfi n ARG 149 N 0.03 0.87 -2.36 -1.09 3.00 -1.26 -4.82 116.66 111.03 1nfi n ARG 149 Ca 0.08 0.00 -0.25 0.00 -0.01 0.00 0.00 57.85 57.67 1nfi n ARG 149 Cb 0.17 -1.48 0.12 0.00 0.00 0.00 0.00 32.46 31.28 1nfi n ARG 149 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1nfi s GLY 150 N -1.97 1.76 0.41 -0.13 0.00 -1.24 -5.10 107.32 101.05 1nfi s GLY 150 Ca 0.40 -1.48 0.01 0.00 0.00 0.00 0.00 44.72 43.65 1nfi s GLY 150 CO 0.31 -0.88 0.62 -0.35 0.00 0.00 0.00 173.10 172.79 1nfi s ASP 151 N -4.75 5.94 0.22 1.64 -1.08 -1.26 -5.09 116.67 112.30 1nfi s ASP 151 Ca 0.67 0.24 0.09 0.00 -0.52 0.00 0.00 52.55 53.04 1nfi s ASP 151 Cb -0.06 -1.58 -0.05 0.00 -1.46 0.00 0.00 42.92 39.77 1nfi s ASP 151 CO 0.47 -0.58 -0.16 -0.31 0.52 0.00 0.00 175.17 175.10 1nfi s TYR 152 N -2.45 1.86 -0.90 -5.34 1.51 -1.26 -5.08 117.35 105.69 1nfi s TYR 152 Ca 0.46 -0.50 -0.14 0.00 -1.01 0.00 0.00 57.07 55.88 1nfi s TYR 152 Cb -0.10 -0.85 0.21 0.00 -0.11 0.00 0.00 41.96 41.11 1nfi s TYR 152 CO 0.36 0.44 0.90 0.34 -1.11 0.00 0.00 175.55 176.49 1nfi s ASP 153 N -3.29 6.84 0.00 2.29 -1.08 -1.26 -4.90 116.67 115.26 1nfi s ASP 153 Ca 0.24 -2.72 0.01 0.00 -0.52 0.00 0.00 52.55 49.56 1nfi s ASP 153 Cb -0.02 -2.25 0.09 0.00 -1.46 0.00 0.00 42.92 39.27 1nfi s ASP 153 CO 0.09 -0.62 0.54 0.18 0.52 0.00 0.00 175.17 175.88 1nfi n LEU 154 N 4.29 0.00 -0.52 -1.34 4.77 -1.26 -1.80 117.00 121.15 1nfi n LEU 154 Ca 0.18 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 56.22 1nfi n LEU 154 Cb 0.46 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.61 1nfi n LEU 154 CO 0.39 0.00 0.46 0.59 -1.33 0.00 0.00 177.39 177.50 1nfi n ASN 155 N -0.96 2.08 -3.81 -1.43 4.13 -1.26 -4.95 115.26 109.05 1nfi n ASN 155 Ca 0.01 -1.54 -0.19 0.00 1.68 0.00 0.00 54.58 54.54 1nfi n ASN 155 Cb 0.00 -0.00 -0.17 0.00 -1.54 0.00 0.00 39.78 38.08 1nfi n ASN 155 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1nfi s ALA 156 N -1.08 0.48 -0.05 5.41 0.00 -0.74 -2.41 121.76 123.37 1nfi s ALA 156 Ca 0.15 0.05 -0.09 0.00 0.00 0.00 0.00 51.96 52.07 1nfi s ALA 156 Cb 0.11 -0.46 0.02 0.00 0.00 0.00 0.00 23.12 22.78 1nfi s ALA 156 CO 0.16 -0.18 0.21 0.14 0.00 0.00 0.00 175.76 176.10 1nfi s VAL 157 N 1.30 0.03 0.17 0.00 -7.23 -1.07 -4.24 120.40 109.37 1nfi s VAL 157 Ca -0.06 -0.28 0.09 0.00 -1.81 0.00 0.00 61.98 59.92 1nfi s VAL 157 Cb -0.13 -0.40 -0.04 0.00 0.56 0.00 0.00 36.38 36.36 1nfi s VAL 157 CO -0.02 -0.15 -0.11 -0.13 -0.31 0.00 0.00 175.10 174.38 1nfi s ARG 158 N -0.55 2.03 -0.32 4.82 0.52 -1.02 -0.22 118.95 124.21 1nfi s ARG 158 Ca -0.06 -1.25 -0.14 0.00 -0.52 0.00 0.00 55.73 53.75 1nfi s ARG 158 Cb -0.04 -2.16 -0.02 0.00 0.52 0.00 0.00 34.95 33.25 1nfi s ARG 158 CO 0.01 0.44 0.34 -0.51 0.02 0.00 0.00 175.30 175.60 1nfi s LEU 159 N -2.71 4.30 -0.06 2.53 1.43 -1.26 -2.04 118.68 120.87 1nfi s LEU 159 Ca 0.24 -0.10 -0.20 0.00 -1.03 0.00 0.00 54.13 53.04 1nfi s LEU 159 Cb -0.09 -2.32 -0.05 0.00 0.03 0.00 0.00 46.19 43.77 1nfi s LEU 159 CO 0.14 -0.26 0.56 0.00 0.23 0.00 0.00 176.35 177.02 1nfi s PHE 161 N 0.29 3.12 -0.29 0.00 0.08 -0.98 -1.64 117.98 118.55 1nfi s PHE 161 Ca 0.30 -1.01 0.03 0.00 0.12 0.00 0.00 56.93 56.37 1nfi s PHE 161 Cb -0.17 -2.22 0.08 0.00 -0.57 0.00 0.00 43.02 40.14 1nfi s PHE 161 CO 0.14 -0.58 -0.04 -0.65 -0.10 0.00 0.00 175.22 173.99 1nfi s GLN 162 N 1.48 1.93 -0.04 0.44 -0.21 -0.65 -3.06 119.66 119.56 1nfi s GLN 162 Ca 0.03 -1.57 0.02 0.00 0.02 0.00 0.00 55.36 53.86 1nfi s GLN 162 Cb -0.17 -3.02 -0.03 0.00 1.00 0.00 0.00 33.01 30.79 1nfi s GLN 162 CO 0.01 -0.72 -0.06 0.14 -2.12 0.00 0.00 175.29 172.54 1nfi s VAL 163 N 1.02 3.72 -0.17 1.09 -7.23 -1.25 0.13 120.40 117.71 1nfi s VAL 163 Ca -0.01 -0.60 0.01 0.00 -1.81 0.00 0.00 61.98 59.58 1nfi s VAL 163 Cb -0.20 -2.57 0.02 0.00 0.56 0.00 0.00 36.38 34.19 1nfi s VAL 163 CO -0.06 0.51 -0.20 -0.89 -0.31 0.00 0.00 175.10 174.14 1nfi s THR 164 N -0.90 2.05 0.46 5.32 2.01 0.12 -4.39 115.64 120.30 1nfi s THR 164 Ca 0.15 -0.94 0.04 0.00 0.31 0.00 0.00 61.69 61.24 1nfi s THR 164 Cb -0.11 -1.84 -0.04 0.00 0.01 0.00 0.00 72.50 70.52 1nfi s THR 164 CO 0.04 0.54 0.02 0.68 -0.69 0.00 0.00 174.62 175.21 1nfi s VAL 165 N 1.21 1.39 0.08 3.82 -7.23 -1.13 -1.41 120.40 117.13 1nfi s VAL 165 Ca 0.03 -2.00 -0.21 0.00 -1.81 0.00 0.00 61.98 57.99 1nfi s VAL 165 Cb -0.13 -2.50 -0.07 0.00 0.56 0.00 0.00 36.38 34.24 1nfi s VAL 165 CO -0.11 0.00 0.62 -0.13 -0.31 0.00 0.00 175.10 175.17 1nfi s ARG 166 N -3.81 4.30 0.00 4.82 3.00 -1.25 0.38 118.95 126.39 1nfi s ARG 166 Ca 0.19 0.83 0.00 0.00 0.00 0.00 0.00 55.73 56.75 1nfi s ARG 166 Cb 0.05 -3.26 0.00 0.00 0.00 0.00 0.00 34.95 31.74 1nfi s ARG 166 CO 0.10 0.57 0.00 -0.40 0.00 0.00 0.00 175.30 175.57 1nfi n ASP 167 N 1.89 0.00 -0.13 0.23 5.75 0.43 -4.80 116.55 119.92 1nfi n ASP 167 Ca -0.09 -0.96 -0.04 0.00 -0.01 0.00 0.00 54.79 53.69 1nfi n ASP 167 Cb 0.50 0.00 0.02 0.00 -1.03 0.00 0.00 41.12 40.61 1nfi n ASP 167 CO 0.00 0.00 0.00 -0.65 -0.11 0.00 0.00 177.20 176.44 1nfi h PRO 168 N 0.00 -0.03 0.00 0.11 0.11 -1.99 -3.07 132.00 127.13 1nfi h PRO 168 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1nfi h PRO 168 Cb 0.00 0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.12 1nfi h PRO 168 CO 0.00 -0.02 0.00 0.43 -0.21 0.00 0.00 178.00 178.20 1nfi n SER 169 N -5.34 0.00 0.00 -2.05 7.64 -1.26 -4.91 113.62 107.70 1nfi n SER 169 Ca 0.03 0.95 0.00 0.00 1.01 0.00 0.00 58.87 60.86 1nfi n SER 169 Cb 0.25 -0.45 0.00 0.00 -1.01 0.00 0.00 64.21 63.00 1nfi n SER 169 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1nfi n GLY 170 N -0.96 -0.16 3.90 0.23 0.00 -1.16 -5.16 105.19 101.89 1nfi n GLY 170 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1nfi n GLY 170 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1nfi s ARG 171 N 0.00 2.09 0.42 1.61 0.52 -1.26 -4.65 118.95 117.67 1nfi s ARG 171 Ca 0.00 0.07 -0.25 0.00 -0.52 0.00 0.00 55.73 55.03 1nfi s ARG 171 Cb 0.00 -2.00 -0.08 0.00 0.52 0.00 0.00 34.95 33.39 1nfi s ARG 171 CO 0.00 -1.47 1.24 -1.25 0.02 0.00 0.00 175.30 173.83 1nfi s PRO 172 N -5.49 3.93 -0.10 3.54 0.04 -1.26 -0.43 135.00 135.23 1nfi s PRO 172 Ca 0.61 1.99 0.04 0.00 0.04 0.00 0.00 61.00 63.68 1nfi s PRO 172 Cb -0.11 -2.65 0.00 0.00 0.04 0.00 0.00 34.50 31.78 1nfi s PRO 172 CO 0.48 -0.47 -0.22 -1.17 0.04 0.00 0.00 177.00 175.66 1nfi s LEU 173 N -2.59 2.02 0.00 -3.56 2.96 1.24 -4.64 118.68 114.10 1nfi s LEU 173 Ca 0.59 -0.52 0.00 0.00 -0.22 0.00 0.00 54.13 53.98 1nfi s LEU 173 Cb -0.34 -1.32 0.00 0.00 0.50 0.00 0.00 46.19 45.03 1nfi s LEU 173 CO 0.43 0.13 0.17 0.54 -1.32 0.00 0.00 176.35 176.30 1nfi n ARG 174 N 3.61 0.00 -1.84 1.98 1.74 -1.26 -2.85 116.66 118.04 1nfi n ARG 174 Ca -0.20 0.17 -0.00 0.00 -0.77 0.00 0.00 57.85 57.05 1nfi n ARG 174 Cb 0.53 -0.59 0.00 0.00 -1.02 0.00 0.00 32.46 31.38 1nfi n ARG 174 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1nfi n LEU 175 N -0.38 -3.64 -4.60 0.55 7.99 -1.26 -4.51 117.00 111.16 1nfi n LEU 175 Ca 0.00 0.36 -0.42 0.00 -0.01 0.00 0.00 56.01 55.94 1nfi n LEU 175 Cb 0.00 -1.64 0.01 0.00 -0.11 0.00 0.00 43.42 41.67 1nfi n LEU 175 CO 0.00 -0.85 0.55 -0.81 -1.51 0.00 0.00 177.39 174.77 1nfi n PRO 176 N 0.10 1.30 -0.90 3.23 -0.04 -1.26 -4.46 135.00 132.96 1nfi n PRO 176 Ca 0.00 0.46 -0.33 0.00 -0.04 0.00 0.00 63.50 63.60 1nfi n PRO 176 Cb 0.02 -1.98 0.13 0.00 -0.04 0.00 0.00 33.50 31.63 1nfi n PRO 176 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 1nfi n PRO 177 N 0.25 -0.14 -3.69 0.54 -0.02 -1.26 -4.81 135.00 125.87 1nfi n PRO 177 Ca 0.10 0.02 -0.16 0.00 -2.02 0.00 0.00 63.50 61.44 1nfi n PRO 177 Cb 0.38 -2.11 -0.15 0.00 -0.02 0.00 0.00 33.50 31.60 1nfi n PRO 177 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1nfi s VAL 178 N -2.32 -0.21 -0.01 -1.45 -7.23 -1.17 -4.98 120.40 103.03 1nfi s VAL 178 Ca 0.64 0.31 -0.08 0.00 -1.81 0.00 0.00 61.98 61.04 1nfi s VAL 178 Cb -0.25 -0.29 -0.05 0.00 0.56 0.00 0.00 36.38 36.35 1nfi s VAL 178 CO 0.60 0.13 0.28 -0.76 -0.31 0.00 0.00 175.10 175.04 1nfi s LEU 179 N 2.00 4.39 0.55 1.32 2.01 -1.26 -2.33 118.68 125.36 1nfi s LEU 179 Ca -0.00 0.63 0.07 0.00 0.01 0.00 0.00 54.13 54.84 1nfi s LEU 179 Cb -0.12 -2.60 0.07 0.00 0.01 0.00 0.00 46.19 43.55 1nfi s LEU 179 CO -0.06 0.28 0.76 -2.16 1.01 0.00 0.00 176.35 176.18 1nfi s PRO 180 N -1.56 2.38 0.28 1.29 0.04 -1.23 -5.01 135.00 131.19 1nfi s PRO 180 Ca 0.26 -1.41 -0.30 0.00 0.04 0.00 0.00 61.00 59.58 1nfi s PRO 180 Cb -0.14 -2.63 -0.12 0.00 0.04 0.00 0.00 34.50 31.66 1nfi s PRO 180 CO 0.14 -0.77 1.51 0.72 0.04 0.00 0.00 177.00 178.64 1nfi n HIS 181 N -2.23 2.59 -1.74 0.56 8.25 -1.26 -4.61 115.22 116.78 1nfi n HIS 181 Ca 0.13 0.34 -0.39 0.00 -0.26 0.00 0.00 57.72 57.53 1nfi n HIS 181 Cb 0.61 -2.54 0.03 0.00 1.12 0.00 0.00 29.99 29.21 1nfi n HIS 181 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1nfi n PRO 182 N 1.99 1.97 -3.91 -0.41 -0.04 -1.26 -4.75 135.00 128.58 1nfi n PRO 182 Ca 0.09 0.71 -0.36 0.00 -0.04 0.00 0.00 63.50 63.91 1nfi n PRO 182 Cb 0.35 -2.57 -0.12 0.00 -0.04 0.00 0.00 33.50 31.12 1nfi n PRO 182 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1nfi s ILE 183 N -1.24 4.34 0.23 0.52 1.01 0.69 -4.52 121.20 122.24 1nfi s ILE 183 Ca 0.65 -0.17 0.05 0.00 0.00 0.00 0.00 60.65 61.18 1nfi s ILE 183 Cb -0.44 -3.00 -0.03 0.00 0.01 0.00 0.00 42.46 39.00 1nfi s ILE 183 CO 0.54 0.39 0.34 -0.36 0.00 0.00 0.00 174.94 175.85 1nfi s PHE 184 N 1.15 3.44 0.18 3.97 0.40 -1.18 -2.59 117.98 123.35 1nfi s PHE 184 Ca 0.04 -0.01 -0.14 0.00 -0.60 0.00 0.00 56.93 56.22 1nfi s PHE 184 Cb -0.14 -1.57 -0.07 0.00 0.51 0.00 0.00 43.02 41.74 1nfi s PHE 184 CO 0.03 0.45 0.58 0.34 0.70 0.00 0.00 175.22 177.32 1nfi s ASP 185 N -3.88 6.81 -0.11 1.36 -1.08 -1.01 -3.83 116.67 114.93 1nfi s ASP 185 Ca 0.34 1.09 -0.02 0.00 -0.52 0.00 0.00 52.55 53.45 1nfi s ASP 185 Cb -0.09 -2.29 -0.00 0.00 -1.46 0.00 0.00 42.92 39.07 1nfi s ASP 185 CO 0.29 0.05 2.41 0.59 0.52 0.00 0.00 175.17 179.03 1nfi n ASN 186 N 0.58 5.69 0.00 -0.34 5.03 -0.44 -4.17 115.26 121.61 1nfi n ASN 186 Ca -0.04 -2.65 0.00 0.00 0.87 0.00 0.00 54.58 52.77 1nfi n ASN 186 Cb 0.52 -1.18 0.00 0.00 -1.02 0.00 0.00 39.78 38.10 1nfi n ASN 186 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1nfi n ARG 187 N 1.38 0.00 -1.69 3.52 5.12 -1.26 -4.98 116.66 118.76 1nfi n ARG 187 Ca 0.20 0.00 -0.44 0.00 -1.93 0.00 0.00 57.85 55.68 1nfi n ARG 187 Cb 0.61 0.00 -0.02 0.00 -1.16 0.00 0.00 32.46 31.89 1nfi n ARG 187 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1nfi n ALA 188 N -1.22 1.37 -0.44 7.54 0.00 -1.26 -4.94 120.51 121.55 1nfi n ALA 188 Ca 0.00 0.40 -0.29 0.00 0.00 0.00 0.00 53.44 53.55 1nfi n ALA 188 Cb 0.00 -2.30 0.26 0.00 0.00 0.00 0.00 19.45 17.40 1nfi n ALA 188 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1nfi n PRO 189 N 1.81 -3.05 -3.56 0.00 -0.02 -1.26 -4.93 135.00 123.99 1nfi n PRO 189 Ca 0.10 -0.88 -0.40 0.00 -2.02 0.00 0.00 63.50 60.30 1nfi n PRO 189 Cb 0.33 -1.99 -0.11 0.00 -0.02 0.00 0.00 33.50 31.71 1nfi n PRO 189 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1nfi s ASN 190 N -2.44 5.86 0.38 2.55 3.84 -1.26 -4.98 114.94 118.89 1nfi s ASN 190 Ca 0.65 -0.67 0.05 0.00 0.21 0.00 0.00 52.86 53.09 1nfi s ASN 190 Cb -0.19 -2.08 0.75 0.00 -0.55 0.00 0.00 41.25 39.17 1nfi s ASN 190 CO 0.62 -0.30 2.03 0.74 -2.79 0.00 0.00 177.10 177.40 1nfi h THR 191 N 5.65 1.14 -1.04 -5.21 2.02 -2.05 -3.44 112.91 109.97 1nfi h THR 191 Ca -0.29 -0.26 -0.82 0.00 0.77 0.00 0.00 66.41 65.81 1nfi h THR 191 Cb 1.13 0.39 0.00 0.00 -1.74 0.00 0.00 68.15 67.94 1nfi h THR 191 CO 0.66 0.13 0.85 0.00 0.37 0.00 0.00 175.52 177.52 1nfi n ALA 192 N -2.46 -0.78 -2.37 6.16 0.00 -1.26 -4.89 120.51 114.92 1nfi n ALA 192 Ca 0.05 0.41 -0.41 0.00 0.00 0.00 0.00 53.44 53.49 1nfi n ALA 192 Cb 0.05 -2.04 -0.04 0.00 0.00 0.00 0.00 19.45 17.42 1nfi n ALA 192 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1nfi s GLU 193 N 3.61 4.60 -0.39 0.00 2.12 -1.26 -5.02 118.70 122.35 1nfi s GLU 193 Ca 1.05 1.55 -0.15 0.00 0.36 0.00 0.00 54.97 57.77 1nfi s GLU 193 Cb -1.36 -3.37 0.01 0.00 0.26 0.00 0.00 34.13 29.66 1nfi s GLU 193 CO 0.75 0.04 0.35 -0.51 -0.54 0.00 0.00 175.26 175.35 1nfi s LEU 194 N 0.35 4.79 -0.12 2.70 1.43 -1.26 -4.72 118.68 121.86 1nfi s LEU 194 Ca 0.51 -0.61 -0.06 0.00 -1.03 0.00 0.00 54.13 52.94 1nfi s LEU 194 Cb -0.25 -2.27 0.05 0.00 0.03 0.00 0.00 46.19 43.75 1nfi s LEU 194 CO 0.30 -0.44 0.28 -0.75 0.23 0.00 0.00 176.35 175.97 1nfi s LYS 195 N 1.91 0.23 -0.23 1.70 2.20 -1.26 -4.30 119.74 120.00 1nfi s LYS 195 Ca 0.09 0.59 -0.20 0.00 -0.36 0.00 0.00 55.97 56.09 1nfi s LYS 195 Cb -0.18 -0.10 -0.02 0.00 -1.51 0.00 0.00 37.83 36.03 1nfi s LYS 195 CO 0.12 -0.17 0.62 0.42 -0.36 0.00 0.00 175.35 175.98 1nfi s ILE 196 N 1.37 5.00 -0.19 5.43 1.01 -1.26 -2.78 121.20 129.78 1nfi s ILE 196 Ca -0.09 1.14 -0.03 0.00 0.00 0.00 0.00 60.65 61.68 1nfi s ILE 196 Cb -0.10 -3.93 -0.22 0.00 0.01 0.00 0.00 42.46 38.22 1nfi s ILE 196 CO -0.09 0.07 0.08 0.00 0.00 0.00 0.00 174.94 174.99 1nfi s ARG 198 N -2.54 0.95 -0.01 0.00 0.52 -1.14 -4.99 118.95 111.74 1nfi s ARG 198 Ca -0.28 -0.26 0.01 0.00 -0.52 0.00 0.00 55.73 54.67 1nfi s ARG 198 Cb 0.08 0.43 0.01 0.00 0.52 0.00 0.00 34.95 35.98 1nfi s ARG 198 CO 0.69 -0.32 -0.03 0.08 0.02 0.00 0.00 175.30 175.73 1nfi s VAL 199 N -2.28 0.31 -1.50 3.52 1.01 -1.26 -0.57 120.40 119.63 1nfi s VAL 199 Ca -0.06 -0.12 0.30 0.00 0.00 0.00 0.00 61.98 62.10 1nfi s VAL 199 Cb -0.01 -0.30 0.54 0.00 0.00 0.00 0.00 36.38 36.61 1nfi s VAL 199 CO -0.01 0.11 2.04 -0.46 0.00 0.00 0.00 175.10 176.78 1nfi n ASN 200 N 3.30 0.07 -3.64 3.32 6.94 -0.50 -4.82 115.26 119.94 1nfi n ASN 200 Ca -0.17 -0.27 -0.10 0.00 -0.02 0.00 0.00 54.58 54.03 1nfi n ASN 200 Cb 0.56 -0.23 -0.07 0.00 -2.36 0.00 0.00 39.78 37.68 1nfi n ASN 200 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1nfi s ARG 201 N -2.52 0.64 -0.10 -3.83 1.70 -1.26 -4.98 118.95 108.61 1nfi s ARG 201 Ca 0.30 0.84 0.14 0.00 -0.47 0.00 0.00 55.73 56.53 1nfi s ARG 201 Cb 0.20 0.28 0.21 0.00 -0.57 0.00 0.00 34.95 35.07 1nfi s ARG 201 CO 0.46 -0.09 1.11 0.27 -1.08 0.00 0.00 175.30 175.97 1nfi n ASN 202 N 2.82 2.19 -3.71 -2.89 0.23 -1.26 -4.98 115.26 107.66 1nfi n ASN 202 Ca -0.15 -2.79 -0.14 0.00 -0.53 0.00 0.00 54.58 50.97 1nfi n ASN 202 Cb 0.56 -0.32 -0.08 0.00 -2.08 0.00 0.00 39.78 37.86 1nfi n ASN 202 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 1nfi s SER 203 N -2.37 -0.30 0.11 0.53 1.04 -1.26 -1.32 113.70 110.13 1nfi s SER 203 Ca 0.23 0.27 -0.26 0.00 0.48 0.00 0.00 55.95 56.67 1nfi s SER 203 Cb 0.20 0.40 0.08 0.00 0.10 0.00 0.00 66.02 66.81 1nfi s SER 203 CO 0.02 -0.46 1.10 -0.83 0.98 0.00 0.00 173.24 174.05 1nfi s GLY 204 N -1.20 -0.14 0.42 7.32 0.00 -0.88 -4.96 107.32 107.89 1nfi s GLY 204 Ca -0.12 0.08 -0.27 0.00 0.00 0.00 0.00 44.72 44.42 1nfi s GLY 204 CO 0.05 1.53 1.46 -0.45 0.00 0.00 0.00 173.10 175.69 1nfi s SER 205 N -3.21 6.08 0.00 1.64 0.15 -1.26 -0.08 113.70 117.02 1nfi s SER 205 Ca 0.18 3.00 0.12 0.00 0.70 0.00 0.00 55.95 59.95 1nfi s SER 205 Cb -0.00 -2.66 0.63 0.00 -1.71 0.00 0.00 66.02 62.28 1nfi s SER 205 CO 0.02 -1.04 1.28 0.00 1.20 0.00 0.00 173.24 174.69 1nfi n LEU 207 N -1.24 0.64 0.00 0.00 4.32 -1.26 -1.78 117.00 117.68 1nfi n LEU 207 Ca 0.06 0.43 0.00 0.00 -0.02 0.00 0.00 56.01 56.48 1nfi n LEU 207 Cb 0.09 -0.30 0.00 0.00 -1.62 0.00 0.00 43.42 41.59 1nfi n LEU 207 CO 0.09 -0.10 0.00 0.61 -1.22 0.00 0.00 177.39 176.77 1nfi n GLY 208 N 1.36 -2.29 1.40 -0.72 0.00 -0.55 -4.42 105.19 99.97 1nfi n GLY 208 Ca 0.05 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.53 1nfi n GLY 208 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nfi n GLY 209 N -0.70 1.48 3.77 -0.02 0.00 -0.12 -4.86 105.19 104.73 1nfi n GLY 209 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1nfi n GLY 209 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1nfi s ASP 210 N -2.81 6.75 -0.01 1.61 1.01 -1.26 -4.62 116.67 117.34 1nfi s ASP 210 Ca 0.00 2.53 -0.22 0.00 0.71 0.00 0.00 52.55 55.56 1nfi s ASP 210 Cb 0.00 -2.64 -0.05 0.00 1.01 0.00 0.00 42.92 41.24 1nfi s ASP 210 CO 0.00 -0.54 0.66 -0.70 0.21 0.00 0.00 175.17 174.81 1nfi s GLU 211 N -1.91 4.40 -0.03 8.23 2.12 -1.26 -0.77 118.70 129.48 1nfi s GLU 211 Ca 0.51 0.85 0.04 0.00 0.36 0.00 0.00 54.97 56.73 1nfi s GLU 211 Cb -0.36 -3.37 -0.00 0.00 0.26 0.00 0.00 34.13 30.66 1nfi s GLU 211 CO 0.47 0.28 -0.13 0.42 -0.54 0.00 0.00 175.26 175.75 1nfi s ILE 212 N 0.07 1.10 -0.25 -3.70 1.01 0.56 -4.93 121.20 115.06 1nfi s ILE 212 Ca 0.34 -0.55 -0.10 0.00 0.00 0.00 0.00 60.65 60.35 1nfi s ILE 212 Cb -0.19 -0.95 -0.04 0.00 0.01 0.00 0.00 42.46 41.29 1nfi s ILE 212 CO 0.19 0.32 0.14 -0.36 0.00 0.00 0.00 174.94 175.23 1nfi s PHE 213 N 0.01 3.24 -0.10 3.97 0.40 -1.26 -1.83 117.98 122.40 1nfi s PHE 213 Ca -0.01 0.06 0.02 0.00 -0.60 0.00 0.00 56.93 56.40 1nfi s PHE 213 Cb -0.09 -2.27 0.01 0.00 0.51 0.00 0.00 43.02 41.18 1nfi s PHE 213 CO 0.01 -0.06 -0.17 -1.17 0.70 0.00 0.00 175.22 174.53 1nfi s LEU 214 N 1.26 1.80 -0.15 -0.37 0.20 -0.26 -1.41 118.68 119.75 1nfi s LEU 214 Ca 0.07 -0.44 -0.08 0.00 0.69 0.00 0.00 54.13 54.37 1nfi s LEU 214 Cb -0.14 -1.12 -0.04 0.00 -0.43 0.00 0.00 46.19 44.45 1nfi s LEU 214 CO 0.06 0.05 0.12 -0.76 -0.29 0.00 0.00 176.35 175.53 1nfi s LEU 215 N 0.82 4.24 0.00 -0.68 1.43 0.26 -0.65 118.68 124.09 1nfi s LEU 215 Ca -0.10 0.33 0.02 0.00 -1.03 0.00 0.00 54.13 53.35 1nfi s LEU 215 Cb -0.16 -2.06 -0.01 0.00 0.03 0.00 0.00 46.19 44.00 1nfi s LEU 215 CO 0.01 0.30 0.42 0.00 0.23 0.00 0.00 176.35 177.31 1nfi s ASP 217 N -3.27 5.37 0.06 0.00 1.11 -1.12 -4.58 116.67 114.24 1nfi s ASP 217 Ca 0.34 0.54 -0.38 0.00 0.18 0.00 0.00 52.55 53.23 1nfi s ASP 217 Cb 0.00 -1.45 -0.18 0.00 1.07 0.00 0.00 42.92 42.36 1nfi s ASP 217 CO 0.24 -1.19 1.17 0.29 1.18 0.00 0.00 175.17 176.87 1nfi n LYS 218 N -2.61 0.57 -4.12 8.23 5.02 -1.24 -4.70 118.16 119.31 1nfi n LYS 218 Ca 0.05 0.21 -0.08 0.00 -2.02 0.00 0.00 58.31 56.47 1nfi n LYS 218 Cb 0.59 -1.75 -0.10 0.00 -0.02 0.00 0.00 35.03 33.75 1nfi n LYS 218 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1nfi s VAL 219 N 0.15 0.35 -0.26 -0.18 -7.23 -0.44 -4.79 120.40 108.00 1nfi s VAL 219 Ca 0.86 -1.86 -0.14 0.00 -1.81 0.00 0.00 61.98 59.03 1nfi s VAL 219 Cb -1.09 -1.63 -0.04 0.00 0.56 0.00 0.00 36.38 34.17 1nfi s VAL 219 CO 0.52 -0.90 0.32 -1.10 -0.31 0.00 0.00 175.10 173.64 1nfi s GLN 220 N -3.91 4.04 0.54 4.82 -1.52 -1.26 -4.59 119.66 117.78 1nfi s GLN 220 Ca 0.10 -0.03 0.29 0.00 -1.95 0.00 0.00 55.36 53.77 1nfi s GLN 220 Cb 0.07 -3.62 1.45 0.00 -0.22 0.00 0.00 33.01 30.69 1nfi s GLN 220 CO -0.07 -0.18 1.93 1.57 -0.25 0.00 0.00 175.29 178.29 1nfi h LYS 221 N 8.00 0.00 -0.17 2.91 2.10 -1.94 0.47 116.57 127.94 1nfi h LYS 221 Ca -0.34 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.31 1nfi h LYS 221 Cb 1.17 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.50 1nfi h LYS 221 CO 0.64 0.00 0.00 -0.85 -2.00 0.00 0.00 179.45 177.24 1nfi n GLU 222 N -4.22 1.96 -2.88 0.07 0.00 -1.26 -4.33 120.64 109.98 1nfi n GLU 222 Ca 0.13 -1.44 -0.12 0.00 0.00 0.00 0.00 57.16 55.73 1nfi n GLU 222 Cb 0.77 -1.45 0.02 0.00 0.00 0.00 0.00 31.44 30.78 1nfi n GLU 222 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 1nfi n ASP 223 N 0.68 0.66 -3.64 -1.84 2.03 0.15 -5.05 116.55 109.53 1nfi n ASP 223 Ca 0.17 -2.88 -0.16 0.00 0.52 0.00 0.00 54.79 52.44 1nfi n ASP 223 Cb 0.43 -0.27 -0.07 0.00 -0.72 0.00 0.00 41.12 40.49 1nfi n ASP 223 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1nfi s ILE 224 N -2.34 0.03 0.02 5.18 1.10 -1.17 -4.31 121.20 119.71 1nfi s ILE 224 Ca 0.31 -0.22 -0.18 0.00 -0.51 0.00 0.00 60.65 60.05 1nfi s ILE 224 Cb 0.40 -0.80 0.04 0.00 0.15 0.00 0.00 42.46 42.24 1nfi s ILE 224 CO -0.02 -0.12 0.41 -1.83 -2.11 0.00 0.00 174.94 171.26 1nfi s GLU 225 N -1.18 0.87 -0.61 3.50 -1.05 -0.04 -4.94 118.70 115.27 1nfi s GLU 225 Ca -0.12 -0.28 -0.14 0.00 -0.15 0.00 0.00 54.97 54.29 1nfi s GLU 225 Cb -0.03 0.39 0.15 0.00 -0.44 0.00 0.00 34.13 34.21 1nfi s GLU 225 CO 0.07 -0.29 0.54 0.08 0.95 0.00 0.00 175.26 176.61 1nfi s VAL 226 N -2.12 5.07 -0.43 1.83 1.01 -1.26 -0.46 120.40 124.03 1nfi s VAL 226 Ca -0.08 -1.87 -0.24 0.00 0.00 0.00 0.00 61.98 59.80 1nfi s VAL 226 Cb -0.02 -4.23 0.02 0.00 0.00 0.00 0.00 36.38 32.15 1nfi s VAL 226 CO 0.00 -0.89 0.83 -0.47 0.00 0.00 0.00 175.10 174.57 1nfi s TYR 227 N 1.11 3.00 0.01 5.22 5.04 0.75 0.28 117.35 132.76 1nfi s TYR 227 Ca 0.08 0.35 -0.14 0.00 -2.44 0.00 0.00 57.07 54.92 1nfi s TYR 227 Cb -0.24 -3.69 -0.06 0.00 0.35 0.00 0.00 41.96 38.32 1nfi s TYR 227 CO -0.01 -0.95 0.41 -0.06 -1.34 0.00 0.00 175.55 173.60 1nfi s PHE 228 N 3.40 3.72 -0.03 4.97 0.40 0.86 -0.80 117.98 130.50 1nfi s PHE 228 Ca 0.33 0.99 -0.04 0.00 -0.60 0.00 0.00 56.93 57.60 1nfi s PHE 228 Cb -0.12 -2.28 0.01 0.00 0.51 0.00 0.00 43.02 41.14 1nfi s PHE 228 CO 0.22 0.63 0.11 0.95 0.70 0.00 0.00 175.22 177.83 1nfi s THR 229 N -1.11 0.01 0.24 0.64 -4.23 -0.30 -1.16 115.64 109.73 1nfi s THR 229 Ca 0.25 -0.12 -0.05 0.00 -1.18 0.00 0.00 61.69 60.58 1nfi s THR 229 Cb -0.16 -0.20 0.02 0.00 1.34 0.00 0.00 72.50 73.50 1nfi s THR 229 CO 0.14 -0.07 0.42 0.61 -0.54 0.00 0.00 174.62 175.18 1nfi n GLY 230 N 2.78 1.90 3.48 3.99 0.00 0.11 0.05 105.19 117.49 1nfi n GLY 230 Ca -0.14 -1.35 -0.43 0.00 0.00 0.00 0.00 46.02 44.10 1nfi n GLY 230 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1nfi n PRO 231 N -0.36 0.57 -2.00 1.61 -0.02 -1.26 -0.08 135.00 133.46 1nfi n PRO 231 Ca -0.03 0.07 -0.21 0.00 -2.02 0.00 0.00 63.50 61.32 1nfi n PRO 231 Cb 0.38 -2.31 -0.05 0.00 -0.02 0.00 0.00 33.50 31.50 1nfi n PRO 231 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nfi n GLY 232 N 6.44 0.72 2.95 -1.23 0.00 -1.26 -4.96 105.19 107.85 1nfi n GLY 232 Ca 0.51 -0.02 -0.11 0.00 0.00 0.00 0.00 46.02 46.40 1nfi n GLY 232 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1nfi s TRP 233 N -2.90 0.21 -0.27 1.61 -0.00 0.89 -5.13 118.94 113.35 1nfi s TRP 233 Ca 0.00 -0.31 -0.21 0.00 -0.00 0.00 0.00 56.10 55.57 1nfi s TRP 233 Cb 0.00 -0.14 0.07 0.00 -0.00 0.00 0.00 33.47 33.40 1nfi s TRP 233 CO 0.00 -0.10 0.69 -1.83 -0.00 0.00 0.00 176.95 175.71 1nfi s GLU 234 N -0.87 0.77 0.11 5.86 -1.05 -1.26 0.05 118.70 122.31 1nfi s GLU 234 Ca -0.09 1.05 -0.15 0.00 -0.15 0.00 0.00 54.97 55.64 1nfi s GLU 234 Cb -0.06 0.31 0.03 0.00 -0.44 0.00 0.00 34.13 33.97 1nfi s GLU 234 CO -0.00 -0.12 0.37 0.00 0.95 0.00 0.00 175.26 176.46 1nfi s ALA 235 N 0.80 -0.82 -0.11 -0.84 0.00 -0.31 -4.99 121.76 115.49 1nfi s ALA 235 Ca -0.03 -0.11 -0.08 0.00 0.00 0.00 0.00 51.96 51.74 1nfi s ALA 235 Cb -0.05 0.63 -0.04 0.00 0.00 0.00 0.00 23.12 23.65 1nfi s ALA 235 CO -0.06 -0.60 0.17 1.03 0.00 0.00 0.00 175.76 176.29 1nfi s ARG 236 N -3.68 3.54 -0.19 0.00 0.52 -1.26 -0.09 118.95 117.78 1nfi s ARG 236 Ca 0.02 -0.08 -0.28 0.00 -0.52 0.00 0.00 55.73 54.87 1nfi s ARG 236 Cb 0.02 -3.21 -0.00 0.00 0.52 0.00 0.00 34.95 32.28 1nfi s ARG 236 CO -0.11 0.73 0.99 0.20 0.02 0.00 0.00 175.30 177.13 1nfi s GLY 237 N -0.92 1.94 0.24 -3.53 0.00 0.14 -4.45 107.32 100.74 1nfi s GLY 237 Ca 0.15 0.19 -0.30 0.00 0.00 0.00 0.00 44.72 44.77 1nfi s GLY 237 CO 0.04 2.02 1.08 -1.35 0.00 0.00 0.00 173.10 174.90 1nfi s SER 238 N 1.18 7.31 0.10 1.64 1.04 -1.11 -4.39 113.70 119.47 1nfi s SER 238 Ca 0.44 2.17 -0.25 0.00 0.48 0.00 0.00 55.95 58.79 1nfi s SER 238 Cb -0.16 -2.62 0.08 0.00 0.10 0.00 0.00 66.02 63.42 1nfi s SER 238 CO 0.10 -0.13 0.68 0.72 0.98 0.00 0.00 173.24 175.58 1nfi s PHE 239 N -0.85 -0.51 0.38 5.02 -0.71 -1.26 -1.45 117.98 118.59 1nfi s PHE 239 Ca 0.46 0.39 -0.09 0.00 -1.04 0.00 0.00 56.93 56.65 1nfi s PHE 239 Cb -0.30 0.54 -0.06 0.00 -1.21 0.00 0.00 43.02 41.98 1nfi s PHE 239 CO 0.38 -0.75 0.71 -1.12 -1.34 0.00 0.00 175.22 173.10 1nfi s SER 240 N -2.50 6.50 0.44 1.98 0.01 -1.26 -4.95 113.70 113.92 1nfi s SER 240 Ca 0.01 1.02 0.22 0.00 1.31 0.00 0.00 55.95 58.51 1nfi s SER 240 Cb -0.01 -2.28 1.03 0.00 0.21 0.00 0.00 66.02 64.97 1nfi s SER 240 CO -0.10 -0.35 1.89 1.56 0.41 0.00 0.00 173.24 176.66 1nfi h GLN 241 N 1.36 0.00 0.00 12.44 4.20 -1.97 0.59 115.11 131.72 1nfi h GLN 241 Ca -0.47 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.24 1nfi h GLN 241 Cb 1.19 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.97 1nfi h GLN 241 CO 0.64 0.24 0.00 0.00 -0.67 0.00 0.00 178.83 179.05 1nfi n ALA 242 N -2.30 1.74 1.36 3.87 0.00 -1.26 -1.80 120.51 122.12 1nfi n ALA 242 Ca -0.01 -0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.57 1nfi n ALA 242 Cb 0.37 -1.32 0.57 0.00 0.00 0.00 0.00 19.45 19.08 1nfi n ALA 242 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1nfi n ASP 243 N -1.81 0.54 -4.57 0.00 8.00 0.20 -4.59 116.55 114.32 1nfi n ASP 243 Ca 0.03 -0.59 -0.43 0.00 0.71 0.00 0.00 54.79 54.52 1nfi n ASP 243 Cb 0.22 -0.05 -0.03 0.00 -0.02 0.00 0.00 41.12 41.24 1nfi n ASP 243 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1nfi s VAL 244 N -2.50 4.26 -0.42 2.53 1.01 -0.75 -2.63 120.40 121.90 1nfi s VAL 244 Ca 0.27 0.81 -0.24 0.00 0.00 0.00 0.00 61.98 62.83 1nfi s VAL 244 Cb 0.20 -4.59 0.02 0.00 0.00 0.00 0.00 36.38 32.01 1nfi s VAL 244 CO 0.49 -1.09 0.81 -2.28 0.00 0.00 0.00 175.10 173.03 1nfi s HIS 245 N 4.32 3.02 -1.31 5.22 2.46 0.16 -4.31 115.29 124.86 1nfi s HIS 245 Ca 0.40 0.35 -0.10 0.00 0.47 0.00 0.00 55.06 56.18 1nfi s HIS 245 Cb -0.09 -3.63 0.08 0.00 -0.13 0.00 0.00 32.58 28.82 1nfi s HIS 245 CO 0.26 -0.91 0.52 0.54 -2.47 0.00 0.00 174.74 172.67 1nfi n ARG 246 N 6.69 -3.36 -1.72 2.88 5.12 -1.26 -1.16 116.66 123.86 1nfi n ARG 246 Ca 0.03 0.45 -0.10 0.00 -1.93 0.00 0.00 57.85 56.31 1nfi n ARG 246 Cb 0.48 -5.16 -0.03 0.00 -1.16 0.00 0.00 32.46 26.59 1nfi n ARG 246 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1nfi n GLN 247 N -3.79 -1.64 0.00 5.56 10.64 -1.26 -4.70 117.38 122.19 1nfi n GLN 247 Ca -0.00 0.56 0.00 0.00 -1.83 0.00 0.00 57.00 55.73 1nfi n GLN 247 Cb 0.53 -4.89 0.00 0.00 -0.86 0.00 0.00 30.24 25.02 1nfi n GLN 247 CO 0.00 0.00 0.00 1.55 -1.83 0.00 0.00 177.06 176.78 1nfi n VAL 248 N -2.24 0.00 -3.64 -0.39 3.14 -0.31 -1.33 118.33 113.56 1nfi n VAL 248 Ca -0.11 -0.22 -0.15 0.00 -2.96 0.00 0.00 64.34 60.90 1nfi n VAL 248 Cb 0.43 1.50 -0.08 0.00 -1.06 0.00 0.00 33.84 34.63 1nfi n VAL 248 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1nfi s ALA 249 N -0.05 -1.38 -0.02 1.55 0.00 -1.01 -1.06 121.76 119.79 1nfi s ALA 249 Ca 0.00 1.14 0.03 0.00 0.00 0.00 0.00 51.96 53.13 1nfi s ALA 249 Cb 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 23.12 22.83 1nfi s ALA 249 CO 0.00 -0.31 -0.10 0.42 0.00 0.00 0.00 175.76 175.78 1nfi s ILE 250 N -0.73 0.82 -0.20 0.00 1.01 0.17 0.39 121.20 122.66 1nfi s ILE 250 Ca -0.08 -0.39 -0.01 0.00 0.00 0.00 0.00 60.65 60.17 1nfi s ILE 250 Cb -0.03 -0.72 0.01 0.00 0.01 0.00 0.00 42.46 41.73 1nfi s ILE 250 CO 0.05 0.25 -0.12 -0.69 0.00 0.00 0.00 174.94 174.43 1nfi s VAL 251 N 0.12 2.71 0.31 2.92 1.01 -1.08 -1.10 120.40 125.28 1nfi s VAL 251 Ca -0.02 -0.74 0.05 0.00 0.00 0.00 0.00 61.98 61.27 1nfi s VAL 251 Cb -0.08 -2.20 -0.03 0.00 0.00 0.00 0.00 36.38 34.07 1nfi s VAL 251 CO 0.00 0.47 0.21 0.72 0.00 0.00 0.00 175.10 176.50 1nfi s PHE 252 N 1.38 1.62 0.10 5.22 -0.71 -0.76 -4.68 117.98 120.15 1nfi s PHE 252 Ca 0.05 -1.51 0.08 0.00 -1.04 0.00 0.00 56.93 54.52 1nfi s PHE 252 Cb -0.14 -0.77 -0.04 0.00 -1.21 0.00 0.00 43.02 40.87 1nfi s PHE 252 CO -0.08 -0.69 -0.18 1.03 -1.34 0.00 0.00 175.22 173.96 1nfi s ARG 253 N -3.68 1.87 0.31 1.99 0.52 -0.53 -0.32 118.95 119.10 1nfi s ARG 253 Ca 0.38 -1.12 -0.29 0.00 -0.52 0.00 0.00 55.73 54.18 1nfi s ARG 253 Cb 0.04 -2.14 -0.09 0.00 0.52 0.00 0.00 34.95 33.28 1nfi s ARG 253 CO 0.21 0.50 1.12 0.95 0.02 0.00 0.00 175.30 178.10 1nfi s THR 254 N -1.09 3.40 0.61 0.02 -4.23 0.05 -2.74 115.64 111.65 1nfi s THR 254 Ca 0.17 1.36 -0.13 0.00 -1.18 0.00 0.00 61.69 61.91 1nfi s THR 254 Cb -0.11 -3.84 -0.04 0.00 1.34 0.00 0.00 72.50 69.85 1nfi s THR 254 CO 0.09 0.29 1.03 -2.16 -0.54 0.00 0.00 174.62 173.33 1nfi s PRO 255 N -1.64 3.49 0.27 3.99 0.04 -1.26 -0.95 135.00 138.94 1nfi s PRO 255 Ca 0.47 0.91 -0.29 0.00 0.04 0.00 0.00 61.00 62.13 1nfi s PRO 255 Cb -0.32 -2.07 -0.09 0.00 0.04 0.00 0.00 34.50 32.06 1nfi s PRO 255 CO 0.41 -0.65 1.23 -2.14 0.04 0.00 0.00 177.00 175.89 1nfi s PRO 256 N -4.72 4.47 1.01 0.56 0.02 -1.26 -4.33 135.00 130.74 1nfi s PRO 256 Ca 0.58 2.01 -0.12 0.00 0.02 0.00 0.00 61.00 63.49 1nfi s PRO 256 Cb -0.12 -3.16 0.20 0.00 0.02 0.00 0.00 34.50 31.44 1nfi s PRO 256 CO 0.46 -0.07 1.08 -0.47 -0.33 0.00 0.00 177.00 177.67 1nfi s TYR 257 N -0.72 1.94 0.35 6.54 5.04 -0.73 -4.93 117.35 124.84 1nfi s TYR 257 Ca 0.50 1.15 0.03 0.00 -2.44 0.00 0.00 57.07 56.30 1nfi s TYR 257 Cb -0.36 -3.20 0.64 0.00 0.35 0.00 0.00 41.96 39.39 1nfi s TYR 257 CO 0.44 -3.01 1.97 0.00 -1.34 0.00 0.00 175.55 173.61 1nfi h ALA 258 N -1.99 1.50 -3.18 3.97 0.00 -1.95 -3.40 119.26 114.21 1nfi h ALA 258 Ca -0.54 -0.09 -0.67 0.00 0.00 0.00 0.00 54.91 53.61 1nfi h ALA 258 Cb 1.32 -0.22 -0.31 0.00 0.00 0.00 0.00 17.79 18.58 1nfi h ALA 258 CO 0.54 0.41 -0.74 0.34 0.00 0.00 0.00 179.25 179.80 1nfi s ASP 259 N -6.57 4.27 0.39 0.00 -1.08 -1.26 -4.99 116.67 107.43 1nfi s ASP 259 Ca -0.09 -0.75 0.26 0.00 -0.52 0.00 0.00 52.55 51.44 1nfi s ASP 259 Cb 0.17 -1.68 0.68 0.00 -1.46 0.00 0.00 42.92 40.63 1nfi s ASP 259 CO 0.76 -0.10 1.72 -0.65 0.52 0.00 0.00 175.17 177.43 1nfi h PRO 260 N 8.04 0.00 -0.78 4.34 0.11 -1.83 -3.31 132.00 138.57 1nfi h PRO 260 Ca -0.35 0.00 -0.51 0.00 0.11 0.00 0.00 66.00 65.25 1nfi h PRO 260 Cb 1.12 0.00 -0.29 0.00 0.11 0.00 0.00 31.00 31.94 1nfi h PRO 260 CO 0.59 0.00 0.13 0.43 -0.21 0.00 0.00 178.00 178.94 1nfi n SER 261 N -2.82 5.25 -4.50 -2.05 7.64 -1.26 -4.71 113.62 111.16 1nfi n SER 261 Ca 0.04 -3.76 -0.43 0.00 1.01 0.00 0.00 58.87 55.72 1nfi n SER 261 Cb 0.45 -0.70 -0.00 0.00 -1.01 0.00 0.00 64.21 62.94 1nfi n SER 261 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1nfi n LEU 262 N -0.93 0.61 -0.01 -3.43 7.94 -1.25 -4.88 117.00 115.06 1nfi n LEU 262 Ca 0.50 1.02 0.01 0.00 -1.11 0.00 0.00 56.01 56.44 1nfi n LEU 262 Cb 0.95 -1.17 -0.04 0.00 0.53 0.00 0.00 43.42 43.69 1nfi n LEU 262 CO 0.52 -2.35 -0.58 0.00 -1.11 0.00 0.00 177.39 173.86 1nfi n GLN 263 N 0.61 0.86 -3.93 1.96 1.13 -1.26 -4.43 117.38 112.32 1nfi n GLN 263 Ca 0.12 -0.04 -0.08 0.00 -1.94 0.00 0.00 57.00 55.05 1nfi n GLN 263 Cb 0.36 -1.12 -0.08 0.00 0.11 0.00 0.00 30.24 29.50 1nfi n GLN 263 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1nfi s ALA 264 N -2.31 0.01 0.69 -1.58 0.00 -1.26 -4.87 121.76 112.44 1nfi s ALA 264 Ca -0.02 -0.79 -0.17 0.00 0.00 0.00 0.00 51.96 50.99 1nfi s ALA 264 Cb 0.03 0.40 -0.02 0.00 0.00 0.00 0.00 23.12 23.53 1nfi s ALA 264 CO 0.21 -0.45 0.88 -2.30 0.00 0.00 0.00 175.76 174.10 1nfi n PRO 265 N 0.07 0.56 -4.10 0.00 -0.02 -1.26 -4.63 135.00 125.62 1nfi n PRO 265 Ca -0.15 0.24 -0.22 0.00 -2.02 0.00 0.00 63.50 61.35 1nfi n PRO 265 Cb 0.62 -2.13 -0.17 0.00 -0.02 0.00 0.00 33.50 31.80 1nfi n PRO 265 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1nfi s VAL 266 N -1.76 0.67 -0.11 -1.45 1.01 -0.86 -4.97 120.40 112.93 1nfi s VAL 266 Ca 0.73 -0.15 -0.22 0.00 0.00 0.00 0.00 61.98 62.34 1nfi s VAL 266 Cb -0.37 -0.70 -0.03 0.00 0.00 0.00 0.00 36.38 35.28 1nfi s VAL 266 CO 0.51 0.27 0.64 -0.60 0.00 0.00 0.00 175.10 175.92 1nfi s ARG 267 N 1.23 4.36 0.22 2.72 3.52 -1.26 -1.05 118.95 128.69 1nfi s ARG 267 Ca -0.06 0.74 0.04 0.00 -0.13 0.00 0.00 55.73 56.32 1nfi s ARG 267 Cb -0.14 -3.48 -0.05 0.00 -1.56 0.00 0.00 34.95 29.72 1nfi s ARG 267 CO -0.02 0.00 -0.02 0.14 -0.81 0.00 0.00 175.30 174.60 1nfi s VAL 268 N 1.06 1.05 0.17 7.11 -7.23 0.20 -4.88 120.40 117.89 1nfi s VAL 268 Ca 0.33 -2.04 0.03 0.00 -1.81 0.00 0.00 61.98 58.50 1nfi s VAL 268 Cb -0.17 -2.27 -0.03 0.00 0.56 0.00 0.00 36.38 34.47 1nfi s VAL 268 CO 0.14 -0.39 0.30 -0.44 -0.31 0.00 0.00 175.10 174.41 1nfi s SER 269 N -3.29 6.30 -0.03 4.85 0.01 0.11 -0.98 113.70 120.66 1nfi s SER 269 Ca 0.27 0.13 0.00 0.00 1.31 0.00 0.00 55.95 57.66 1nfi s SER 269 Cb 0.05 -1.88 0.03 0.00 0.21 0.00 0.00 66.02 64.43 1nfi s SER 269 CO 0.07 0.02 -0.00 -0.32 0.41 0.00 0.00 173.24 173.42 1nfi s MET 270 N -3.43 0.34 0.01 12.44 0.00 -0.41 -1.16 119.30 127.10 1nfi s MET 270 Ca 0.34 0.08 -0.16 0.00 0.00 0.00 0.00 55.69 55.95 1nfi s MET 270 Cb -0.10 -0.54 0.03 0.00 0.00 0.00 0.00 34.83 34.21 1nfi s MET 270 CO 0.28 -0.15 0.34 1.14 0.00 0.00 0.00 175.02 176.63 1nfi s GLN 271 N 1.11 0.77 0.17 4.11 -2.07 0.02 -0.44 119.66 123.33 1nfi s GLN 271 Ca -0.08 -0.31 -0.30 0.00 -1.82 0.00 0.00 55.36 52.85 1nfi s GLN 271 Cb -0.13 0.34 -0.08 0.00 -1.09 0.00 0.00 33.01 32.05 1nfi s GLN 271 CO -0.02 -0.23 1.21 -0.51 -1.32 0.00 0.00 175.29 174.41 1nfi s LEU 272 N -1.67 4.44 -0.07 2.60 1.02 -1.26 -0.18 118.68 123.56 1nfi s LEU 272 Ca -0.09 2.22 0.02 0.00 0.02 0.00 0.00 54.13 56.29 1nfi s LEU 272 Cb -0.03 -3.60 0.02 0.00 0.02 0.00 0.00 46.19 42.59 1nfi s LEU 272 CO 0.01 -0.39 -0.10 -0.60 0.02 0.00 0.00 176.35 175.29 1nfi s ARG 273 N -0.06 1.51 -0.50 1.70 3.52 0.39 -1.89 118.95 123.62 1nfi s ARG 273 Ca 0.54 -0.33 -0.16 0.00 -0.13 0.00 0.00 55.73 55.64 1nfi s ARG 273 Cb -0.32 -1.33 0.08 0.00 -1.56 0.00 0.00 34.95 31.82 1nfi s ARG 273 CO 0.36 -0.04 0.48 0.50 -0.81 0.00 0.00 175.30 175.78 1nfi s ARG 274 N 0.87 3.01 0.28 5.12 3.52 -0.82 -0.86 118.95 130.07 1nfi s ARG 274 Ca -0.11 -1.35 0.03 0.00 -0.13 0.00 0.00 55.73 54.16 1nfi s ARG 274 Cb -0.15 -4.17 0.67 0.00 -1.56 0.00 0.00 34.95 29.73 1nfi s ARG 274 CO 0.01 -1.16 1.73 -1.35 -0.81 0.00 0.00 175.30 173.73 1nfi h PRO 275 N 8.85 0.52 -0.92 5.12 0.11 -1.89 0.12 132.00 143.91 1nfi h PRO 275 Ca -0.29 -0.03 0.13 0.00 0.11 0.00 0.00 66.00 65.93 1nfi h PRO 275 Cb 1.10 -0.12 -0.09 0.00 0.11 0.00 0.00 31.00 32.01 1nfi h PRO 275 CO 0.94 0.35 0.54 0.66 -0.21 0.00 0.00 178.00 180.28 1nfi h SER 276 N 0.54 0.74 0.00 -2.05 4.64 -1.94 -2.93 113.55 112.55 1nfi h SER 276 Ca 0.53 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.92 1nfi h SER 276 Cb 0.90 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.92 1nfi h SER 276 CO -0.44 0.36 -0.01 -0.90 -0.87 0.00 0.00 176.83 174.96 1nfi n ASP 277 N -4.74 1.79 0.00 4.97 5.75 -1.10 -4.84 116.55 118.39 1nfi n ASP 277 Ca 0.18 -2.07 0.00 0.00 -0.01 0.00 0.00 54.79 52.89 1nfi n ASP 277 Cb 0.40 -0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.41 1nfi n ASP 277 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1nfi n ARG 278 N -0.59 -1.88 -1.60 0.11 1.74 0.39 -4.97 116.66 109.87 1nfi n ARG 278 Ca 0.03 0.47 -0.32 0.00 -0.77 0.00 0.00 57.85 57.26 1nfi n ARG 278 Cb 0.35 -4.96 0.05 0.00 -1.02 0.00 0.00 32.46 26.88 1nfi n ARG 278 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1nfi s GLU 279 N -1.93 2.81 0.10 5.56 2.02 -1.20 -4.77 118.70 121.29 1nfi s GLU 279 Ca 0.00 1.11 0.04 0.00 0.02 0.00 0.00 54.97 56.14 1nfi s GLU 279 Cb 0.00 -1.97 -0.04 0.00 0.10 0.00 0.00 34.13 32.22 1nfi s GLU 279 CO 0.00 -1.21 -0.10 -0.51 0.02 0.00 0.00 175.26 173.46 1nfi s LEU 280 N -5.37 2.42 0.58 1.80 1.43 -1.26 -1.94 118.68 116.34 1nfi s LEU 280 Ca 0.61 -0.84 -0.02 0.00 -1.03 0.00 0.00 54.13 52.84 1nfi s LEU 280 Cb -0.16 -0.32 0.03 0.00 0.03 0.00 0.00 46.19 45.77 1nfi s LEU 280 CO 0.50 -0.27 0.84 -0.94 0.23 0.00 0.00 176.35 176.71 1nfi s SER 281 N -2.56 5.33 0.66 2.29 1.04 -0.79 -4.87 113.70 114.80 1nfi s SER 281 Ca 0.07 0.30 -0.16 0.00 0.48 0.00 0.00 55.95 56.64 1nfi s SER 281 Cb -0.02 -1.22 0.00 0.00 0.10 0.00 0.00 66.02 64.88 1nfi s SER 281 CO 0.00 -1.15 1.18 -1.61 0.98 0.00 0.00 173.24 172.64 1nfi s GLU 282 N -4.89 2.63 0.66 4.02 2.02 -1.26 -4.67 118.70 117.22 1nfi s GLU 282 Ca 0.56 1.69 -0.12 0.00 0.02 0.00 0.00 54.97 57.12 1nfi s GLU 282 Cb -0.10 -1.90 -0.01 0.00 0.10 0.00 0.00 34.13 32.22 1nfi s GLU 282 CO 0.41 -1.44 1.06 -1.25 0.02 0.00 0.00 175.26 174.05 1nfi s PRO 283 N -3.73 3.08 -0.10 0.39 0.04 -1.26 -4.71 135.00 128.71 1nfi s PRO 283 Ca 0.74 1.00 0.02 0.00 0.04 0.00 0.00 61.00 62.80 1nfi s PRO 283 Cb -0.27 -2.01 0.01 0.00 0.04 0.00 0.00 34.50 32.27 1nfi s PRO 283 CO 0.39 -0.99 -0.17 -1.64 0.04 0.00 0.00 177.00 174.63 1nfi s MET 284 N -4.82 2.38 0.53 4.56 -1.94 0.41 -4.93 119.30 115.48 1nfi s MET 284 Ca 0.59 -0.63 -0.20 0.00 -1.71 0.00 0.00 55.69 53.74 1nfi s MET 284 Cb -0.14 -1.93 -0.06 0.00 2.01 0.00 0.00 34.83 34.71 1nfi s MET 284 CO 0.50 0.02 1.15 -1.21 -0.01 0.00 0.00 175.02 175.48 1nfi s GLU 285 N 0.75 3.42 -0.10 2.03 8.01 -1.26 -1.29 118.70 130.25 1nfi s GLU 285 Ca -0.11 1.69 -0.08 0.00 0.01 0.00 0.00 54.97 56.47 1nfi s GLU 285 Cb -0.16 -2.11 0.03 0.00 -4.31 0.00 0.00 34.13 27.58 1nfi s GLU 285 CO 0.02 -0.82 0.27 0.12 0.01 0.00 0.00 175.26 174.86 1nfi s PHE 286 N -1.68 -0.31 -0.22 1.61 5.36 -0.16 -4.84 117.98 117.74 1nfi s PHE 286 Ca 0.71 0.74 -0.02 0.00 -0.96 0.00 0.00 56.93 57.40 1nfi s PHE 286 Cb -0.26 0.10 0.01 0.00 -0.34 0.00 0.00 43.02 42.53 1nfi s PHE 286 CO 0.30 -0.16 -0.09 -0.65 -1.46 0.00 0.00 175.22 173.15 1nfi s GLN 287 N 0.40 3.08 0.23 10.12 -0.21 -0.43 0.61 119.66 133.45 1nfi s GLN 287 Ca -0.02 -0.81 -0.30 0.00 0.02 0.00 0.00 55.36 54.25 1nfi s GLN 287 Cb -0.04 -2.87 -0.09 0.00 1.00 0.00 0.00 33.01 31.01 1nfi s GLN 287 CO -0.02 -0.27 0.95 0.71 -2.12 0.00 0.00 175.29 174.54 1nfi s TYR 288 N 1.37 3.95 0.15 0.91 2.02 -0.21 -2.06 117.35 123.47 1nfi s TYR 288 Ca 0.04 1.89 0.10 0.00 -0.37 0.00 0.00 57.07 58.73 1nfi s TYR 288 Cb -0.15 -3.01 -0.04 0.00 -0.40 0.00 0.00 41.96 38.36 1nfi s TYR 288 CO -0.06 0.37 -0.21 -0.51 -1.57 0.00 0.00 175.55 173.56 1nfi s LEU 289 N -1.09 2.54 0.39 -1.29 1.43 0.89 -2.03 118.68 119.52 1nfi s LEU 289 Ca 0.42 -0.70 -0.27 0.00 -1.03 0.00 0.00 54.13 52.54 1nfi s LEU 289 Cb -0.26 -1.36 -0.10 0.00 0.03 0.00 0.00 46.19 44.50 1nfi s LEU 289 CO 0.32 0.16 1.43 -2.16 0.23 0.00 0.00 176.35 176.33 1nfi s PRO 290 N -2.32 4.06 0.23 1.29 0.04 -1.26 -0.27 135.00 136.77 1nfi s PRO 290 Ca 0.18 2.46 -0.30 0.00 0.04 0.00 0.00 61.00 63.38 1nfi s PRO 290 Cb -0.10 -2.91 -0.09 0.00 0.04 0.00 0.00 34.50 31.45 1nfi s PRO 290 CO 0.09 -0.53 1.01 0.34 0.04 0.00 0.00 177.00 177.95 1nfi s ASP 291 N -0.31 7.47 -0.21 6.66 2.15 -1.26 -4.79 116.67 126.38 1nfi s ASP 291 Ca 0.54 2.05 -0.04 0.00 0.43 0.00 0.00 52.55 55.53 1nfi s ASP 291 Cb -0.44 -2.61 0.11 0.00 -0.30 0.00 0.00 42.92 39.67 1nfi s ASP 291 CO 0.59 0.00 0.31 0.42 -0.17 0.00 0.00 175.17 176.32 1nfi s THR 292 N -0.95 -0.48 0.41 1.71 -4.23 -1.26 -5.08 115.64 105.76 1nfi s THR 292 Ca 0.44 -0.02 0.02 0.00 -1.18 0.00 0.00 61.69 60.94 1nfi s THR 292 Cb -0.28 -0.70 0.08 0.00 1.34 0.00 0.00 72.50 72.94 1nfi s THR 292 CO 0.35 -0.10 0.56 -0.90 -0.54 0.00 0.00 174.62 173.99 1nfi n ASP 293 N 5.35 0.94 0.05 3.99 5.68 -1.26 -4.93 116.55 126.36 1nfi n ASP 293 Ca -0.05 -1.75 -0.01 0.00 -0.50 0.00 0.00 54.79 52.48 1nfi n ASP 293 Cb 0.50 -0.35 0.26 0.00 -1.14 0.00 0.00 41.12 40.39 1nfi n ASP 293 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1nfi h ASP 294 N -0.24 0.38 0.85 -1.12 3.32 -2.01 -2.56 116.42 115.03 1nfi h ASP 294 Ca -0.19 -0.11 -0.04 0.00 0.02 0.00 0.00 57.03 56.71 1nfi h ASP 294 Cb 0.73 -0.10 0.01 0.00 0.22 0.00 0.00 39.33 40.19 1nfi h ASP 294 CO 0.22 0.61 -0.43 0.03 -1.72 0.00 0.00 179.24 177.95 1nfi h ARG 295 N 0.35 -1.12 -0.32 3.56 3.08 -1.99 0.15 114.38 118.10 1nfi h ARG 295 Ca 0.06 0.08 0.06 0.00 0.07 0.00 0.00 59.98 60.25 1nfi h ARG 295 Cb 0.58 0.25 -0.06 0.00 0.08 0.00 0.00 29.97 30.83 1nfi h ARG 295 CO 0.04 -0.75 -0.08 0.45 -1.07 0.00 0.00 179.97 178.56 1nfi h HIS 296 N -1.16 -0.18 -0.59 3.04 3.86 -1.94 0.31 115.15 118.48 1nfi h HIS 296 Ca -0.11 0.03 0.12 0.00 -1.16 0.00 0.00 60.37 59.24 1nfi h HIS 296 Cb 0.90 0.13 -0.09 0.00 1.06 0.00 0.00 27.41 29.40 1nfi h HIS 296 CO -0.03 -0.14 0.08 -0.09 0.86 0.00 0.00 177.93 178.61 1nfi h ARG 297 N -0.00 0.19 -0.53 2.45 9.65 -1.29 0.38 114.38 125.23 1nfi h ARG 297 Ca 0.15 -0.01 -0.06 0.00 -1.10 0.00 0.00 59.98 58.96 1nfi h ARG 297 Cb 0.24 -0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 28.75 1nfi h ARG 297 CO -0.33 0.13 0.07 0.97 2.80 0.00 0.00 179.97 183.61 1nfi h ILE 298 N 0.20 1.24 -0.38 1.20 6.09 0.35 -1.48 117.51 124.72 1nfi h ILE 298 Ca 0.31 -0.92 -0.15 0.00 -1.37 0.00 0.00 64.86 62.73 1nfi h ILE 298 Cb 0.48 0.76 -0.01 0.00 0.47 0.00 0.00 36.82 38.52 1nfi h ILE 298 CO -0.44 0.33 -0.36 -0.08 -3.07 0.00 0.00 178.15 174.54 1nfi h GLU 299 N 0.80 0.91 -0.04 2.19 4.57 0.76 0.25 114.58 124.01 1nfi h GLU 299 Ca 0.16 -0.47 -0.03 0.00 -1.18 0.00 0.00 59.36 57.84 1nfi h GLU 299 Cb 0.38 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.98 1nfi h GLU 299 CO 0.01 1.13 -0.10 0.93 -1.18 0.00 0.00 179.01 179.79 1nfi h GLU 300 N 0.72 0.06 0.00 1.92 5.08 0.03 -0.65 114.58 121.74 1nfi h GLU 300 Ca 0.06 -0.01 -0.19 0.00 -1.00 0.00 0.00 59.36 58.23 1nfi h GLU 300 Cb 0.95 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.16 1nfi h GLU 300 CO 0.09 0.17 -0.89 -0.22 -1.00 0.00 0.00 179.01 177.16 1nfi h LYS 301 N 0.06 0.00 0.34 2.33 3.64 -0.67 -3.11 116.57 119.16 1nfi h LYS 301 Ca 0.01 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.38 1nfi h LYS 301 Cb 0.23 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 1nfi h LYS 301 CO 0.01 0.89 -0.16 -0.09 -2.27 0.00 0.00 179.45 177.83 1nfi h ARG 302 N 0.00 -0.44 0.00 1.90 2.43 0.99 -3.20 114.38 116.06 1nfi h ARG 302 Ca -0.01 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1nfi h ARG 302 Cb 1.64 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 31.29 1nfi h ARG 302 CO 0.12 -0.29 0.05 1.57 -1.51 0.00 0.00 179.97 179.90 1nfi h LYS 303 N -0.68 0.00 -0.81 0.20 2.10 -1.53 0.22 116.57 116.07 1nfi h LYS 303 Ca -0.05 0.00 -0.21 0.00 -2.00 0.00 0.00 60.65 58.40 1nfi h LYS 303 Cb 0.35 0.00 -0.12 0.00 -0.90 0.00 0.00 32.23 31.56 1nfi h LYS 303 CO 0.08 0.00 0.26 2.89 -2.00 0.00 0.00 179.45 180.68 1nfi n ARG 304 N -2.64 3.24 0.00 0.07 1.85 -1.18 -3.90 116.66 114.11 1nfi n ARG 304 Ca -0.02 -2.60 0.00 0.00 -1.00 0.00 0.00 57.85 54.23 1nfi n ARG 304 Cb 0.10 -2.08 0.00 0.00 -1.05 0.00 0.00 32.46 29.43 1nfi n ARG 304 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 1nfi n THR 305 N -0.14 0.00 -0.01 8.89 -2.24 0.76 -4.91 114.28 116.63 1nfi n THR 305 Ca 0.36 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 62.13 1nfi n THR 305 Cb 1.26 0.78 -0.01 0.00 -2.10 0.00 0.00 70.33 70.26 1nfi n THR 305 CO 0.00 0.00 0.00 1.88 -0.57 0.00 0.00 175.07 176.38 1nfi h TYR 306 N 0.00 -0.20 -0.33 4.78 -1.99 -1.59 0.24 116.97 117.87 1nfi h TYR 306 Ca 0.00 0.01 -0.05 0.00 2.00 0.00 0.00 58.73 60.69 1nfi h TYR 306 Cb 0.80 0.09 -0.01 0.00 2.00 0.00 0.00 36.73 39.61 1nfi h TYR 306 CO 0.00 -0.06 0.02 0.93 -0.00 0.00 0.00 178.16 179.05 1nfi h GLU 307 N -0.05 0.57 -1.01 4.88 4.39 -1.92 0.73 114.58 122.16 1nfi h GLU 307 Ca 0.01 -0.17 0.25 0.00 0.34 0.00 0.00 59.36 59.78 1nfi h GLU 307 Cb 0.07 -0.06 -0.12 0.00 -0.10 0.00 0.00 28.75 28.55 1nfi h GLU 307 CO -0.07 0.68 0.61 1.15 -1.16 0.00 0.00 179.01 180.23 1nfi h THR 308 N 0.38 0.55 0.07 1.13 2.02 -1.87 0.49 112.91 115.68 1nfi h THR 308 Ca 0.10 -0.19 -0.33 0.00 0.77 0.00 0.00 66.41 66.75 1nfi h THR 308 Cb 0.42 -0.06 -0.03 0.00 -1.74 0.00 0.00 68.15 66.74 1nfi h THR 308 CO 0.01 0.10 -1.84 0.33 0.37 0.00 0.00 175.52 174.50 1nfi n PHE 309 N -4.82 1.02 -0.25 3.16 7.35 0.81 -3.00 117.46 121.74 1nfi n PHE 309 Ca 0.26 0.29 0.17 0.00 -0.76 0.00 0.00 57.45 57.41 1nfi n PHE 309 Cb 0.76 -1.12 0.48 0.00 0.35 0.00 0.00 39.48 39.95 1nfi n PHE 309 CO 0.00 0.00 0.00 -0.22 -0.76 0.00 0.00 176.76 175.78 1nfi h LYS 310 N -0.33 0.46 0.00 -4.13 3.64 0.10 0.97 116.57 117.28 1nfi h LYS 310 Ca -0.43 -0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 58.80 1nfi h LYS 310 Cb 1.77 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 33.47 1nfi h LYS 310 CO -0.05 0.30 -0.58 1.03 -2.27 0.00 0.00 179.45 177.89 1nfi h SER 311 N 0.47 0.00 0.00 4.20 0.87 -0.18 -3.05 113.55 115.87 1nfi h SER 311 Ca 0.46 0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.87 1nfi h SER 311 Cb 1.06 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.03 1nfi h SER 311 CO -0.19 0.58 -0.60 0.40 -0.53 0.00 0.00 176.83 176.49 1nfi h ILE 312 N 0.00 1.43 -0.93 2.23 2.04 0.71 0.97 117.51 123.96 1nfi h ILE 312 Ca -0.01 -2.08 0.22 0.00 1.00 0.00 0.00 64.86 63.99 1nfi h ILE 312 Cb 1.25 2.61 -0.07 0.00 -0.74 0.00 0.00 36.82 39.87 1nfi h ILE 312 CO 0.07 0.60 0.62 0.24 0.00 0.00 0.00 178.15 179.69 1nfi h MET 313 N -0.12 0.38 0.00 2.37 2.86 0.20 0.48 114.93 121.10 1nfi h MET 313 Ca -0.07 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.54 1nfi h MET 313 Cb 1.31 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.88 1nfi h MET 313 CO 0.12 0.25 0.00 1.17 1.06 0.00 0.00 176.91 179.51 1nfi n LYS 314 N -4.52 0.00 0.00 1.72 4.81 -1.15 -3.44 118.16 115.57 1nfi n LYS 314 Ca 0.20 0.09 0.00 0.00 -0.87 0.00 0.00 58.31 57.74 1nfi n LYS 314 Cb 0.74 -0.45 0.00 0.00 0.02 0.00 0.00 35.03 35.35 1nfi n LYS 314 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1nfi n LYS 315 N -1.84 0.00 -2.69 1.64 0.00 0.33 -3.53 118.16 112.07 1nfi n LYS 315 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 58.31 58.25 1nfi n LYS 315 Cb 0.00 -1.47 0.09 0.00 0.00 0.00 0.00 35.03 33.65 1nfi n LYS 315 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1nfi n SER 316 N -0.93 -1.70 -4.44 3.14 3.41 0.14 -4.98 113.62 108.26 1nfi n SER 316 Ca 0.00 -2.58 -0.29 0.00 -0.26 0.00 0.00 58.87 55.74 1nfi n SER 316 Cb 0.00 1.41 0.25 0.00 -0.26 0.00 0.00 64.21 65.61 1nfi n SER 316 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1nfi n PRO 317 N 0.20 -2.38 -3.06 4.33 -0.04 -1.11 -4.57 135.00 128.37 1nfi n PRO 317 Ca -0.04 -0.67 -0.38 0.00 -0.04 0.00 0.00 63.50 62.37 1nfi n PRO 317 Cb 0.73 -2.09 -0.06 0.00 -0.04 0.00 0.00 33.50 32.04 1nfi n PRO 317 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1nfi s PHE 318 N -2.37 3.83 -0.01 0.54 5.36 -1.26 -5.06 117.98 119.00 1nfi s PHE 318 Ca 0.67 1.51 -0.09 0.00 -0.96 0.00 0.00 56.93 58.06 1nfi s PHE 318 Cb -0.23 -2.68 0.01 0.00 -0.34 0.00 0.00 43.02 39.77 1nfi s PHE 318 CO 0.66 0.49 0.19 0.45 -1.46 0.00 0.00 175.22 175.54 1nfi s SER 319 N -1.26 -0.06 0.00 6.13 0.15 -1.26 -5.26 113.70 112.13 1nfi s SER 319 Ca 0.36 -0.05 0.00 0.00 0.70 0.00 0.00 55.95 56.97 1nfi s SER 319 Cb -0.21 0.26 0.00 0.00 -1.71 0.00 0.00 66.02 64.37 1nfi s SER 319 CO 0.24 -0.35 0.00 0.61 1.20 0.00 0.00 173.24 174.94