#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i2c s ILE 2 N 0.00 4.20 -0.31 0.53 1.09 -1.26 -4.88 121.20 120.57 3i2c s ILE 2 Ca 0.00 0.74 -0.10 0.00 -1.10 0.00 0.00 60.65 60.18 3i2c s ILE 2 Cb 0.00 -4.62 -0.02 0.00 -1.06 0.00 0.00 42.46 36.76 3i2c s ILE 2 CO 0.00 -1.18 0.16 -0.69 -0.10 0.00 0.00 174.94 173.14 3i2c s VAL 3 N 4.46 4.78 -0.18 2.92 1.01 -1.26 -4.76 120.40 127.37 3i2c s VAL 3 Ca 0.39 -0.29 -0.19 0.00 0.00 0.00 0.00 61.98 61.89 3i2c s VAL 3 Cb -0.09 -3.40 -0.03 0.00 0.00 0.00 0.00 36.38 32.86 3i2c s VAL 3 CO 0.24 0.10 0.55 -0.76 0.00 0.00 0.00 175.10 175.24 3i2c s LEU 4 N 1.65 4.17 -0.39 3.92 1.43 -1.26 -3.35 118.68 124.85 3i2c s LEU 4 Ca 0.05 0.76 -0.09 0.00 -1.03 0.00 0.00 54.13 53.82 3i2c s LEU 4 Cb -0.17 -2.77 0.06 0.00 0.03 0.00 0.00 46.19 43.34 3i2c s LEU 4 CO 0.07 -0.17 0.21 -0.89 0.23 0.00 0.00 176.35 175.80 3i2c s THR 5 N 1.52 4.23 0.13 5.49 2.01 0.03 -4.26 115.64 124.79 3i2c s THR 5 Ca 0.26 -1.19 -0.14 0.00 0.31 0.00 0.00 61.69 60.92 3i2c s THR 5 Cb -0.16 -3.49 -0.07 0.00 0.01 0.00 0.00 72.50 68.80 3i2c s THR 5 CO 0.10 -0.36 0.53 -1.10 -0.69 0.00 0.00 174.62 173.10 3i2c s GLN 6 N 1.46 3.97 -0.17 4.92 -0.21 -1.26 -1.23 119.66 127.14 3i2c s GLN 6 Ca 0.02 0.48 -0.20 0.00 0.02 0.00 0.00 55.36 55.68 3i2c s GLN 6 Cb -0.21 -2.97 0.05 0.00 1.00 0.00 0.00 33.01 30.88 3i2c s GLN 6 CO 0.04 0.50 0.54 -1.54 -2.12 0.00 0.00 175.29 172.71 3i2c s SER 7 N -1.66 -0.55 0.99 5.90 1.04 -0.69 -4.70 113.70 114.03 3i2c s SER 7 Ca 0.36 0.96 -0.17 0.00 0.48 0.00 0.00 55.95 57.59 3i2c s SER 7 Cb -0.15 0.98 0.22 0.00 0.10 0.00 0.00 66.02 67.17 3i2c s SER 7 CO 0.19 -0.27 1.35 -2.16 0.98 0.00 0.00 173.24 173.33 3i2c s PRO 8 N -0.04 0.39 0.33 4.02 0.04 -1.26 -0.84 135.00 137.64 3i2c s PRO 8 Ca -0.03 -0.52 0.18 0.00 0.04 0.00 0.00 61.00 60.68 3i2c s PRO 8 Cb -0.04 -1.83 0.16 0.00 0.04 0.00 0.00 34.50 32.83 3i2c s PRO 8 CO 0.02 -2.57 1.47 0.00 0.04 0.00 0.00 177.00 175.97 3i2c h ALA 9 N -1.75 0.79 -1.50 8.56 0.00 -1.84 -3.41 119.26 120.11 3i2c h ALA 9 Ca -0.44 -0.29 0.09 0.00 0.00 0.00 0.00 54.91 54.28 3i2c h ALA 9 Cb 1.22 -0.04 -0.25 0.00 0.00 0.00 0.00 17.79 18.72 3i2c h ALA 9 CO 0.33 0.39 0.57 0.45 0.00 0.00 0.00 179.25 180.98 3i2c s SER 10 N -6.32 -0.35 0.15 0.00 0.15 -1.26 -1.63 113.70 104.44 3i2c s SER 10 Ca 0.05 0.52 -0.10 0.00 0.70 0.00 0.00 55.95 57.11 3i2c s SER 10 Cb 0.07 0.47 0.00 0.00 -1.71 0.00 0.00 66.02 64.85 3i2c s SER 10 CO 0.72 -0.23 0.30 -1.48 1.20 0.00 0.00 173.24 173.75 3i2c s LEU 11 N -0.54 0.94 -0.10 3.45 2.34 -0.63 -4.92 118.68 119.21 3i2c s LEU 11 Ca 0.01 -0.73 0.00 0.00 0.06 0.00 0.00 54.13 53.48 3i2c s LEU 11 Cb -0.02 1.31 0.02 0.00 -0.56 0.00 0.00 46.19 46.93 3i2c s LEU 11 CO -0.03 -0.87 -0.09 0.00 -1.06 0.00 0.00 176.35 174.30 3i2c s ALA 12 N -3.92 1.31 0.08 1.48 0.00 -1.26 -0.46 121.76 119.00 3i2c s ALA 12 Ca 0.12 -0.51 0.04 0.00 0.00 0.00 0.00 51.96 51.61 3i2c s ALA 12 Cb 0.03 -0.82 -0.03 0.00 0.00 0.00 0.00 23.12 22.30 3i2c s ALA 12 CO -0.04 -0.28 -0.12 0.14 0.00 0.00 0.00 175.76 175.46 3i2c s VAL 13 N 1.44 1.01 0.53 0.00 -7.23 -0.40 -4.78 120.40 110.96 3i2c s VAL 13 Ca -0.00 -1.45 -0.13 0.00 -1.81 0.00 0.00 61.98 58.59 3i2c s VAL 13 Cb -0.13 -1.18 -0.06 0.00 0.56 0.00 0.00 36.38 35.57 3i2c s VAL 13 CO -0.05 -0.39 0.95 -0.44 -0.31 0.00 0.00 175.10 174.85 3i2c s SER 14 N -2.07 6.45 0.15 4.85 0.01 -1.26 0.76 113.70 122.59 3i2c s SER 14 Ca 0.01 1.40 -0.33 0.00 1.31 0.00 0.00 55.95 58.34 3i2c s SER 14 Cb -0.07 -2.44 -0.13 0.00 0.21 0.00 0.00 66.02 63.59 3i2c s SER 14 CO 0.01 -0.65 1.67 0.18 0.41 0.00 0.00 173.24 174.86 3i2c n LEU 15 N -1.98 3.48 0.00 2.44 4.32 -1.26 -1.88 117.00 122.12 3i2c n LEU 15 Ca 0.05 1.06 0.00 0.00 -0.02 0.00 0.00 56.01 57.10 3i2c n LEU 15 Cb 0.54 -1.48 0.00 0.00 -1.62 0.00 0.00 43.42 40.86 3i2c n LEU 15 CO 0.51 -0.08 0.00 0.61 -1.22 0.00 0.00 177.39 177.21 3i2c n GLY 16 N 3.74 2.30 3.92 -0.72 0.00 0.15 -4.88 105.19 109.71 3i2c n GLY 16 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 3i2c n GLY 16 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3i2c s GLN 17 N -0.56 1.19 -0.09 1.61 2.00 -0.79 -4.23 119.66 118.79 3i2c s GLN 17 Ca 0.00 -0.25 -0.10 0.00 -2.00 0.00 0.00 55.36 53.00 3i2c s GLN 17 Cb 0.00 -1.91 -0.05 0.00 0.80 0.00 0.00 33.01 31.85 3i2c s GLN 17 CO 0.00 -2.06 0.24 0.50 -0.50 0.00 0.00 175.29 173.47 3i2c s ARG 18 N -5.73 3.73 -0.07 1.67 3.52 -1.26 -2.26 118.95 118.55 3i2c s ARG 18 Ca 0.69 0.07 0.04 0.00 -0.13 0.00 0.00 55.73 56.40 3i2c s ARG 18 Cb -0.07 -3.24 0.00 0.00 -1.56 0.00 0.00 34.95 30.08 3i2c s ARG 18 CO 0.51 0.66 -0.19 0.00 -0.81 0.00 0.00 175.30 175.47 3i2c s ALA 19 N -0.79 1.74 -0.10 6.12 0.00 0.22 -4.98 121.76 123.97 3i2c s ALA 19 Ca 0.18 -0.76 0.01 0.00 0.00 0.00 0.00 51.96 51.38 3i2c s ALA 19 Cb -0.14 -0.63 0.02 0.00 0.00 0.00 0.00 23.12 22.38 3i2c s ALA 19 CO 0.07 0.26 -0.10 0.99 0.00 0.00 0.00 175.76 176.98 3i2c s THR 20 N 0.23 1.15 -0.17 0.00 2.01 -1.26 -0.47 115.64 117.13 3i2c s THR 20 Ca -0.10 -0.41 0.01 0.00 0.31 0.00 0.00 61.69 61.50 3i2c s THR 20 Cb -0.15 -1.11 0.02 0.00 0.01 0.00 0.00 72.50 71.27 3i2c s THR 20 CO 0.05 0.38 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.54 3i2c s ILE 21 N 1.31 1.89 0.08 1.82 1.01 0.06 -4.73 121.20 122.64 3i2c s ILE 21 Ca -0.02 -0.83 0.01 0.00 0.00 0.00 0.00 60.65 59.81 3i2c s ILE 21 Cb -0.14 -1.73 -0.04 0.00 0.01 0.00 0.00 42.46 40.57 3i2c s ILE 21 CO -0.04 0.51 0.18 -0.44 0.00 0.00 0.00 174.94 175.14 3i2c s SER 22 N 1.36 6.08 -0.07 3.58 0.01 -0.02 -0.24 113.70 124.40 3i2c s SER 22 Ca 0.05 0.16 -0.03 0.00 1.31 0.00 0.00 55.95 57.44 3i2c s SER 22 Cb -0.13 -1.80 0.04 0.00 0.21 0.00 0.00 66.02 64.35 3i2c s SER 22 CO -0.12 0.15 0.16 0.00 0.41 0.00 0.00 173.24 173.84 3i2c s ARG 24 N 1.42 2.11 0.01 0.00 0.52 -0.36 -0.44 118.95 122.21 3i2c s ARG 24 Ca -0.07 -1.01 0.06 0.00 -0.52 0.00 0.00 55.73 54.20 3i2c s ARG 24 Cb -0.12 -2.28 -0.02 0.00 0.52 0.00 0.00 34.95 33.06 3i2c s ARG 24 CO -0.06 0.52 -0.19 0.00 0.02 0.00 0.00 175.30 175.58 3i2c s ALA 25 N -1.14 1.62 0.50 2.13 0.00 -0.53 -0.79 121.76 123.56 3i2c s ALA 25 Ca 0.19 -0.92 -0.20 0.00 0.00 0.00 0.00 51.96 51.03 3i2c s ALA 25 Cb -0.11 -0.36 -0.07 0.00 0.00 0.00 0.00 23.12 22.58 3i2c s ALA 25 CO 0.11 0.38 1.09 -1.54 0.00 0.00 0.00 175.76 175.79 3i2c s SER 26 N -0.80 6.09 0.28 0.00 1.04 -1.21 -4.76 113.70 114.34 3i2c s SER 26 Ca 0.07 2.07 -0.17 0.00 0.48 0.00 0.00 55.95 58.40 3i2c s SER 26 Cb -0.08 -2.57 -0.09 0.00 0.10 0.00 0.00 66.02 63.38 3i2c s SER 26 CO 0.00 -0.96 0.73 -0.54 0.98 0.00 0.00 173.24 173.46 3i2c s LYS 27 N -3.17 4.10 0.00 4.02 3.01 -1.26 -4.57 119.74 121.86 3i2c s LYS 27 Ca 0.69 0.74 0.00 0.00 -1.01 0.00 0.00 55.97 56.39 3i2c s LYS 27 Cb -0.21 -2.61 0.00 0.00 -1.01 0.00 0.00 37.83 34.00 3i2c s LYS 27 CO 0.24 0.25 0.00 0.45 0.51 0.00 0.00 175.35 176.81 3i2c n SER 28 N 0.08 1.09 0.00 2.83 2.88 -1.26 -4.99 113.62 114.24 3i2c n SER 28 Ca 0.01 -0.98 0.00 0.00 -1.33 0.00 0.00 58.87 56.58 3i2c n SER 28 Cb 0.52 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 3i2c n SER 28 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 3i2c n VAL 29 N -0.45 0.00 -2.20 2.46 0.31 -1.26 -5.02 118.33 112.17 3i2c n VAL 29 Ca 0.00 0.25 -0.38 0.00 -0.01 0.00 0.00 64.34 64.20 3i2c n VAL 29 Cb 0.00 -0.98 -0.01 0.00 -0.91 0.00 0.00 33.84 31.94 3i2c n VAL 29 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 3i2c s SER 30 N -2.24 6.28 0.34 4.52 0.15 -1.26 -4.91 113.70 116.58 3i2c s SER 30 Ca 0.00 2.42 0.04 0.00 0.70 0.00 0.00 55.95 59.11 3i2c s SER 30 Cb 0.00 -2.62 0.61 0.00 -1.71 0.00 0.00 66.02 62.30 3i2c s SER 30 CO 0.00 -0.85 1.88 -1.28 1.20 0.00 0.00 173.24 174.19 3i2c h SER 31 N 2.37 0.50 -0.17 5.45 0.87 -2.08 -3.20 113.55 117.29 3i2c h SER 31 Ca -0.49 -0.09 -0.34 0.00 -1.23 0.00 0.00 61.79 59.64 3i2c h SER 31 Cb 1.25 -0.13 0.03 0.00 -0.44 0.00 0.00 62.40 63.10 3i2c h SER 31 CO 0.61 0.56 1.04 -0.24 -0.53 0.00 0.00 176.83 178.27 3i2c n SER 32 N -4.29 2.04 0.00 6.23 2.88 -1.26 -4.58 113.62 114.64 3i2c n SER 32 Ca 0.02 -2.59 0.00 0.00 -1.33 0.00 0.00 58.87 54.96 3i2c n SER 32 Cb 0.23 -1.38 0.00 0.00 -0.75 0.00 0.00 64.21 62.31 3i2c n SER 32 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3i2c n ALA 33 N 13.77 0.47 -2.60 -1.46 0.00 -1.21 -5.02 120.51 124.45 3i2c n ALA 33 Ca 0.45 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.83 3i2c n ALA 33 Cb 0.45 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.90 3i2c n ALA 33 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3i2c n TYR 34 N 0.00 -2.98 -4.90 0.00 4.02 -1.26 -4.49 117.16 107.54 3i2c n TYR 34 Ca 0.00 1.22 -0.32 0.00 -0.01 0.00 0.00 57.90 58.80 3i2c n TYR 34 Cb 0.00 -3.65 -0.14 0.00 -0.02 0.00 0.00 39.34 35.53 3i2c n TYR 34 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 3i2c s SER 35 N -2.17 3.74 0.32 7.72 1.04 -1.26 -4.23 113.70 118.86 3i2c s SER 35 Ca 0.17 -0.33 0.09 0.00 0.48 0.00 0.00 55.95 56.36 3i2c s SER 35 Cb -0.05 -0.66 -0.06 0.00 0.10 0.00 0.00 66.02 65.35 3i2c s SER 35 CO 0.64 0.31 -0.10 -0.36 0.98 0.00 0.00 173.24 174.71 3i2c s PHE 36 N -0.77 2.29 0.14 5.02 0.08 -1.26 -4.81 117.98 118.68 3i2c s PHE 36 Ca 0.12 -0.52 0.10 0.00 0.12 0.00 0.00 56.93 56.75 3i2c s PHE 36 Cb -0.10 -1.27 -0.04 0.00 -0.57 0.00 0.00 43.02 41.03 3i2c s PHE 36 CO 0.02 0.54 -0.22 -0.06 -0.10 0.00 0.00 175.22 175.40 3i2c s PHE 37 N -2.68 2.42 -0.02 0.36 0.40 -1.26 -1.79 117.98 115.40 3i2c s PHE 37 Ca 0.31 -0.32 -0.20 0.00 -0.60 0.00 0.00 56.93 56.13 3i2c s PHE 37 Cb 0.02 -1.26 0.04 0.00 0.51 0.00 0.00 43.02 42.32 3i2c s PHE 37 CO 0.15 0.41 0.43 -1.01 0.70 0.00 0.00 175.22 175.90 3i2c s HIS 38 N -1.28 -0.33 0.02 0.36 3.76 -0.91 -0.99 115.29 115.93 3i2c s HIS 38 Ca 0.18 0.51 0.09 0.00 -0.15 0.00 0.00 55.06 55.69 3i2c s HIS 38 Cb -0.10 0.20 -0.03 0.00 1.11 0.00 0.00 32.58 33.77 3i2c s HIS 38 CO 0.09 -0.47 -0.26 -1.58 -0.85 0.00 0.00 174.74 171.67 3i2c s TRP 39 N -1.41 2.31 -0.00 1.40 0.52 -0.71 -0.68 118.94 120.36 3i2c s TRP 39 Ca -0.12 -0.42 0.05 0.00 0.02 0.00 0.00 56.10 55.63 3i2c s TRP 39 Cb -0.03 -1.42 -0.01 0.00 -1.15 0.00 0.00 33.47 30.85 3i2c s TRP 39 CO 0.05 0.07 -0.15 0.71 0.02 0.00 0.00 176.95 177.65 3i2c s TYR 40 N -0.74 1.35 -0.17 -1.98 2.02 0.33 -0.80 117.35 117.36 3i2c s TYR 40 Ca 0.11 -0.27 -0.03 0.00 -0.37 0.00 0.00 57.07 56.51 3i2c s TYR 40 Cb -0.10 -0.86 -0.02 0.00 -0.40 0.00 0.00 41.96 40.58 3i2c s TYR 40 CO 0.01 -0.01 -0.06 -1.14 -1.57 0.00 0.00 175.55 172.78 3i2c s GLN 41 N -0.48 3.54 -0.19 -0.62 0.74 -0.06 -0.82 119.66 121.77 3i2c s GLN 41 Ca 0.05 -0.58 0.01 0.00 0.05 0.00 0.00 55.36 54.89 3i2c s GLN 41 Cb -0.06 -2.88 0.03 0.00 1.10 0.00 0.00 33.01 31.20 3i2c s GLN 41 CO -0.00 0.12 -0.16 -1.14 -0.55 0.00 0.00 175.29 173.56 3i2c s GLN 42 N 0.65 2.63 0.17 1.67 0.74 0.28 0.54 119.66 126.34 3i2c s GLN 42 Ca -0.03 -0.84 -0.00 0.00 0.05 0.00 0.00 55.36 54.54 3i2c s GLN 42 Cb -0.15 -2.49 -0.04 0.00 1.10 0.00 0.00 33.01 31.43 3i2c s GLN 42 CO 0.02 -0.29 0.35 0.15 -0.55 0.00 0.00 175.29 174.98 3i2c s LYS 43 N 1.32 3.50 0.00 1.67 1.02 -1.26 -1.26 119.74 124.74 3i2c s LYS 43 Ca 0.03 -0.38 0.00 0.00 0.02 0.00 0.00 55.97 55.63 3i2c s LYS 43 Cb -0.14 -2.88 0.00 0.00 -0.52 0.00 0.00 37.83 34.29 3i2c s LYS 43 CO -0.11 0.45 0.00 -2.30 -0.92 0.00 0.00 175.35 172.47 3i2c n PRO 44 N -0.50 0.00 -2.01 -1.68 -0.02 -1.26 -1.68 135.00 127.85 3i2c n PRO 44 Ca -0.05 0.00 -0.40 0.00 -2.02 0.00 0.00 63.50 61.03 3i2c n PRO 44 Cb 0.53 0.00 0.03 0.00 -0.02 0.00 0.00 33.50 34.05 3i2c n PRO 44 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i2c n GLY 45 N 0.00 5.56 3.02 -1.23 0.00 -1.26 -4.96 105.19 106.32 3i2c n GLY 45 Ca 0.00 -2.47 -0.12 0.00 0.00 0.00 0.00 46.02 43.43 3i2c n GLY 45 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i2c s GLN 46 N -4.01 0.42 0.46 1.61 -0.21 -0.68 -5.14 119.66 112.11 3i2c s GLN 46 Ca 0.50 -0.62 -0.24 0.00 0.02 0.00 0.00 55.36 55.02 3i2c s GLN 46 Cb 0.40 -0.15 -0.07 0.00 1.00 0.00 0.00 33.01 34.18 3i2c s GLN 46 CO -0.37 0.02 1.33 -1.25 -2.12 0.00 0.00 175.29 172.90 3i2c s PRO 47 N -1.34 3.64 0.63 2.91 0.04 -1.26 -4.50 135.00 135.12 3i2c s PRO 47 Ca -0.10 2.19 -0.18 0.00 0.04 0.00 0.00 61.00 62.95 3i2c s PRO 47 Cb -0.09 -2.55 -0.04 0.00 0.04 0.00 0.00 34.50 31.86 3i2c s PRO 47 CO -0.00 -0.77 0.90 -0.35 0.04 0.00 0.00 177.00 176.82 3i2c n PRO 48 N -0.35 0.74 -5.19 0.56 -0.04 -1.26 -4.71 135.00 124.75 3i2c n PRO 48 Ca 0.06 0.30 -0.32 0.00 -0.04 0.00 0.00 63.50 63.50 3i2c n PRO 48 Cb 0.44 -2.12 -0.17 0.00 -0.04 0.00 0.00 33.50 31.61 3i2c n PRO 48 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 3i2c s LYS 49 N -2.83 3.01 0.01 0.54 2.20 0.19 -4.92 119.74 117.94 3i2c s LYS 49 Ca 0.75 -0.87 -0.30 0.00 -0.36 0.00 0.00 55.97 55.19 3i2c s LYS 49 Cb -0.40 -2.31 -0.06 0.00 -1.51 0.00 0.00 37.83 33.55 3i2c s LYS 49 CO 0.48 0.21 1.47 -1.17 -0.36 0.00 0.00 175.35 175.98 3i2c s LEU 50 N 0.27 4.32 -0.20 5.43 2.96 -1.26 -0.89 118.68 129.32 3i2c s LEU 50 Ca -0.16 2.20 -0.17 0.00 -0.22 0.00 0.00 54.13 55.77 3i2c s LEU 50 Cb -0.17 -3.56 -0.07 0.00 0.50 0.00 0.00 46.19 42.89 3i2c s LEU 50 CO 0.08 -0.77 -0.35 0.18 -1.32 0.00 0.00 176.35 174.17 3i2c n LEU 51 N 5.51 1.94 -3.96 -0.68 4.77 0.02 -4.90 117.00 119.70 3i2c n LEU 51 Ca 0.14 0.33 -0.21 0.00 -0.03 0.00 0.00 56.01 56.24 3i2c n LEU 51 Cb 0.43 -0.75 -0.16 0.00 -2.33 0.00 0.00 43.42 40.61 3i2c n LEU 51 CO 0.60 -0.11 -0.43 -0.63 -1.33 0.00 0.00 177.39 175.48 3i2c s ILE 52 N -2.83 0.71 -0.01 -0.08 1.01 -1.21 -2.45 121.20 116.34 3i2c s ILE 52 Ca -0.31 -0.27 0.02 0.00 0.00 0.00 0.00 60.65 60.09 3i2c s ILE 52 Cb 0.06 -0.67 -0.03 0.00 0.01 0.00 0.00 42.46 41.82 3i2c s ILE 52 CO 0.44 0.25 -0.03 -0.72 0.00 0.00 0.00 174.94 174.87 3i2c s TYR 53 N 0.54 2.99 -0.87 3.97 1.13 -0.50 -1.74 117.35 122.87 3i2c s TYR 53 Ca -0.08 0.03 -0.04 0.00 -1.41 0.00 0.00 57.07 55.57 3i2c s TYR 53 Cb -0.12 -1.65 0.00 0.00 -1.10 0.00 0.00 41.96 39.09 3i2c s TYR 53 CO 0.01 0.42 0.63 -0.11 -2.51 0.00 0.00 175.55 173.98 3i2c n LEU 54 N 1.56 -2.20 0.00 -3.49 7.94 -0.16 -2.15 117.00 118.50 3i2c n LEU 54 Ca -0.15 -0.92 0.00 0.00 -1.11 0.00 0.00 56.01 53.82 3i2c n LEU 54 Cb 0.53 -1.81 0.00 0.00 0.53 0.00 0.00 43.42 42.67 3i2c n LEU 54 CO 0.32 0.30 0.00 0.00 -1.11 0.00 0.00 177.39 176.89 3i2c n ALA 55 N -2.86 0.00 0.00 1.96 0.00 -0.83 -3.84 120.51 114.95 3i2c n ALA 55 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.18 3i2c n ALA 55 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.11 3i2c n ALA 55 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3i2c n SER 56 N 1.04 0.41 -4.74 0.00 3.41 -1.24 -1.81 113.62 110.69 3i2c n SER 56 Ca 0.00 -0.06 -0.40 0.00 -0.26 0.00 0.00 58.87 58.14 3i2c n SER 56 Cb 0.00 0.21 -0.05 0.00 -0.26 0.00 0.00 64.21 64.11 3i2c n SER 56 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 3i2c s ASN 57 N -0.29 7.51 0.17 4.04 0.01 -0.91 -4.36 114.94 121.11 3i2c s ASN 57 Ca 0.00 1.95 -0.15 0.00 -0.71 0.00 0.00 52.86 53.95 3i2c s ASN 57 Cb 0.00 -2.60 -0.07 0.00 0.41 0.00 0.00 41.25 38.98 3i2c s ASN 57 CO 0.00 0.01 0.59 -0.22 -1.51 0.00 0.00 177.10 175.97 3i2c s LEU 58 N -0.72 4.33 0.19 0.60 2.96 -1.26 -1.41 118.68 123.37 3i2c s LEU 58 Ca 0.44 1.15 -0.16 0.00 -0.22 0.00 0.00 54.13 55.35 3i2c s LEU 58 Cb -0.26 -3.36 -0.08 0.00 0.50 0.00 0.00 46.19 43.00 3i2c s LEU 58 CO 0.33 0.08 0.62 -1.58 -1.32 0.00 0.00 176.35 174.48 3i2c s GLN 59 N -1.99 4.06 -0.17 1.98 2.00 -1.02 -4.87 119.66 119.65 3i2c s GLN 59 Ca 0.39 0.62 -0.29 0.00 -2.00 0.00 0.00 55.36 54.09 3i2c s GLN 59 Cb -0.15 -2.86 -0.05 0.00 0.80 0.00 0.00 33.01 30.74 3i2c s GLN 59 CO 0.20 0.42 2.06 -1.12 -0.50 0.00 0.00 175.29 176.35 3i2c s SER 60 N -1.77 5.81 0.00 6.67 0.01 -1.26 -2.57 113.70 120.59 3i2c s SER 60 Ca 0.41 1.98 0.00 0.00 1.31 0.00 0.00 55.95 59.66 3i2c s SER 60 Cb -0.15 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.56 3i2c s SER 60 CO 0.20 -1.66 0.00 0.61 0.41 0.00 0.00 173.24 172.79 3i2c n GLY 61 N 5.34 1.84 3.73 3.44 0.00 -1.26 -5.09 105.19 113.19 3i2c n GLY 61 Ca 0.26 -0.40 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 3i2c n GLY 61 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3i2c s VAL 62 N -1.07 4.27 0.95 1.61 -7.23 -1.06 -5.01 120.40 112.85 3i2c s VAL 62 Ca 0.00 1.86 -0.11 0.00 -1.81 0.00 0.00 61.98 61.93 3i2c s VAL 62 Cb 0.00 -4.19 0.16 0.00 0.56 0.00 0.00 36.38 32.91 3i2c s VAL 62 CO 0.00 0.28 1.11 -2.84 -0.31 0.00 0.00 175.10 173.34 3i2c s PRO 63 N 0.03 0.79 0.00 4.82 0.02 -1.26 -4.81 135.00 134.59 3i2c s PRO 63 Ca 0.49 1.30 0.00 0.00 0.02 0.00 0.00 61.00 62.81 3i2c s PRO 63 Cb -0.26 -1.72 0.00 0.00 0.02 0.00 0.00 34.50 32.54 3i2c s PRO 63 CO 0.31 -2.70 0.93 0.00 -0.33 0.00 0.00 177.00 175.21 3i2c n ALA 64 N -4.26 1.01 1.17 -1.55 0.00 -1.26 -2.57 120.51 113.05 3i2c n ALA 64 Ca 0.09 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.66 3i2c n ALA 64 Cb 0.53 -0.96 0.39 0.00 0.00 0.00 0.00 19.45 19.41 3i2c n ALA 64 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 3i2c n ARG 65 N -1.43 0.46 -3.53 0.00 1.85 -1.26 -4.72 116.66 108.03 3i2c n ARG 65 Ca 0.00 -0.24 -0.37 0.00 -1.00 0.00 0.00 57.85 56.24 3i2c n ARG 65 Cb 0.02 -1.49 -0.08 0.00 -1.05 0.00 0.00 32.46 29.85 3i2c n ARG 65 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 3i2c s PHE 66 N -2.70 3.36 0.03 2.89 0.08 -1.06 -1.59 117.98 118.98 3i2c s PHE 66 Ca 0.20 0.43 -0.00 0.00 0.12 0.00 0.00 56.93 57.68 3i2c s PHE 66 Cb 0.19 -2.39 -0.02 0.00 -0.57 0.00 0.00 43.02 40.23 3i2c s PHE 66 CO 0.58 0.05 -0.03 -1.54 -0.10 0.00 0.00 175.22 174.18 3i2c s SER 67 N 0.98 0.32 0.19 1.36 1.04 -0.61 -4.94 113.70 112.03 3i2c s SER 67 Ca 0.13 -0.60 0.07 0.00 0.48 0.00 0.00 55.95 56.03 3i2c s SER 67 Cb -0.14 0.12 -0.05 0.00 0.10 0.00 0.00 66.02 66.05 3i2c s SER 67 CO 0.06 -0.35 -0.14 -0.83 0.98 0.00 0.00 173.24 172.95 3i2c s GLY 68 N -1.76 1.35 0.35 7.32 0.00 -1.25 -0.25 107.32 113.08 3i2c s GLY 68 Ca -0.11 -1.60 -0.17 0.00 0.00 0.00 0.00 44.72 42.84 3i2c s GLY 68 CO -0.03 -1.69 0.75 -1.35 0.00 0.00 0.00 173.10 170.79 3i2c s SER 69 N -3.17 -0.05 0.00 1.64 1.04 -0.75 -4.11 113.70 108.30 3i2c s SER 69 Ca 0.20 -1.00 0.00 0.00 0.48 0.00 0.00 55.95 55.64 3i2c s SER 69 Cb -0.01 0.81 0.00 0.00 0.10 0.00 0.00 66.02 66.92 3i2c s SER 69 CO 0.06 -1.57 0.00 0.61 0.98 0.00 0.00 173.24 173.32 3i2c n GLY 70 N -0.51 4.47 3.16 7.32 0.00 -1.26 -1.73 105.19 116.64 3i2c n GLY 70 Ca -0.07 -1.43 -0.23 0.00 0.00 0.00 0.00 46.02 44.30 3i2c n GLY 70 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3i2c s SER 71 N 0.00 1.90 0.55 1.61 0.01 -0.78 -4.95 113.70 112.04 3i2c s SER 71 Ca 0.00 -0.39 0.00 0.00 1.31 0.00 0.00 55.95 56.87 3i2c s SER 71 Cb 0.00 -0.17 0.00 0.00 0.21 0.00 0.00 66.02 66.06 3i2c s SER 71 CO 0.00 0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.39 3i2c n GLY 72 N 2.26 0.30 0.01 3.44 0.00 -1.26 -1.63 105.19 108.31 3i2c n GLY 72 Ca -0.16 0.66 0.07 0.00 0.00 0.00 0.00 46.02 46.58 3i2c n GLY 72 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3i2c n THR 73 N 0.00 0.09 -3.72 2.61 -2.24 -1.26 -4.93 114.28 104.83 3i2c n THR 73 Ca 0.00 -0.38 -0.36 0.00 -2.27 0.00 0.00 64.05 61.03 3i2c n THR 73 Cb 0.00 0.07 -0.10 0.00 -2.10 0.00 0.00 70.33 68.20 3i2c n THR 73 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3i2c s ASP 74 N -3.90 5.85 0.05 3.42 1.11 -0.65 -1.45 116.67 121.10 3i2c s ASP 74 Ca -0.06 0.02 0.05 0.00 0.18 0.00 0.00 52.55 52.74 3i2c s ASP 74 Cb 0.10 -2.05 -0.02 0.00 1.07 0.00 0.00 42.92 42.01 3i2c s ASP 74 CO 0.65 0.04 -0.13 -0.36 1.18 0.00 0.00 175.17 176.55 3i2c s PHE 75 N 1.20 1.15 -0.01 4.23 0.08 0.42 -1.86 117.98 123.19 3i2c s PHE 75 Ca 0.06 -0.38 0.02 0.00 0.12 0.00 0.00 56.93 56.75 3i2c s PHE 75 Cb -0.14 -0.68 0.00 0.00 -0.57 0.00 0.00 43.02 41.63 3i2c s PHE 75 CO 0.05 0.03 -0.05 0.99 -0.10 0.00 0.00 175.22 176.14 3i2c s THR 76 N -0.98 0.45 -0.16 0.64 2.01 -0.71 0.05 115.64 116.94 3i2c s THR 76 Ca -0.00 -0.21 -0.01 0.00 0.31 0.00 0.00 61.69 61.77 3i2c s THR 76 Cb -0.08 -0.40 -0.01 0.00 0.01 0.00 0.00 72.50 72.02 3i2c s THR 76 CO 0.01 0.14 -0.11 -0.22 -0.69 0.00 0.00 174.62 173.76 3i2c s LEU 77 N 0.05 2.72 -0.15 4.42 2.96 0.66 -2.04 118.68 127.31 3i2c s LEU 77 Ca -0.00 -0.37 -0.04 0.00 -0.22 0.00 0.00 54.13 53.50 3i2c s LEU 77 Cb -0.04 -1.64 -0.03 0.00 0.50 0.00 0.00 46.19 44.98 3i2c s LEU 77 CO -0.00 0.10 -0.03 0.20 -1.32 0.00 0.00 176.35 175.30 3i2c s ASN 78 N 0.77 4.89 -0.24 3.68 0.01 0.65 -0.76 114.94 123.93 3i2c s ASN 78 Ca -0.04 -0.09 0.02 0.00 -0.71 0.00 0.00 52.86 52.04 3i2c s ASN 78 Cb -0.15 -1.74 0.05 0.00 0.41 0.00 0.00 41.25 39.82 3i2c s ASN 78 CO 0.01 0.20 -0.11 -0.63 -1.51 0.00 0.00 177.10 175.06 3i2c s ILE 79 N 0.20 2.00 -0.27 0.60 1.01 0.38 -1.58 121.20 123.54 3i2c s ILE 79 Ca -0.01 -1.41 -0.10 0.00 0.00 0.00 0.00 60.65 59.12 3i2c s ILE 79 Cb -0.14 -2.09 0.11 0.00 0.01 0.00 0.00 42.46 40.36 3i2c s ILE 79 CO 0.03 0.06 0.61 -2.28 0.00 0.00 0.00 174.94 173.35 3i2c s HIS 80 N 1.20 -1.18 0.34 3.97 2.46 -0.62 -0.61 115.29 120.85 3i2c s HIS 80 Ca -0.06 2.13 -0.17 0.00 0.47 0.00 0.00 55.06 57.43 3i2c s HIS 80 Cb -0.18 0.68 -0.09 0.00 -0.13 0.00 0.00 32.58 32.85 3i2c s HIS 80 CO -0.07 -0.60 0.80 -1.25 -2.47 0.00 0.00 174.74 171.15 3i2c s PRO 81 N 2.61 4.10 0.06 2.88 0.04 -1.26 -4.43 135.00 139.00 3i2c s PRO 81 Ca -0.06 0.82 -0.30 0.00 0.04 0.00 0.00 61.00 61.50 3i2c s PRO 81 Cb -0.11 -2.41 -0.05 0.00 0.04 0.00 0.00 34.50 31.97 3i2c s PRO 81 CO -0.18 0.13 0.98 0.08 0.04 0.00 0.00 177.00 178.05 3i2c s VAL 82 N -1.99 4.65 0.25 -0.36 1.01 -0.96 -4.77 120.40 118.23 3i2c s VAL 82 Ca 0.55 2.04 0.11 0.00 0.00 0.00 0.00 61.98 64.69 3i2c s VAL 82 Cb -0.11 -4.31 -0.05 0.00 0.00 0.00 0.00 36.38 31.92 3i2c s VAL 82 CO 0.17 0.24 -0.19 -1.61 0.00 0.00 0.00 175.10 173.70 3i2c s GLU 83 N 0.49 1.70 0.46 2.72 2.02 -1.26 0.34 118.70 125.17 3i2c s GLU 83 Ca 0.50 -1.64 0.22 0.00 0.02 0.00 0.00 54.97 54.07 3i2c s GLU 83 Cb -0.23 -1.84 1.23 0.00 0.10 0.00 0.00 34.13 33.39 3i2c s GLU 83 CO 0.29 0.36 1.87 0.00 0.02 0.00 0.00 175.26 177.80 3i2c h ALA 84 N 2.56 2.42 0.00 5.21 0.00 -1.91 -0.78 119.26 126.77 3i2c h ALA 84 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3i2c h ALA 84 Cb 1.24 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3i2c h ALA 84 CO 0.56 -0.70 0.00 -0.85 0.00 0.00 0.00 179.25 178.26 3i2c n GLU 85 N -4.43 0.12 0.00 0.00 0.28 -1.22 -3.20 120.64 112.18 3i2c n GLU 85 Ca 0.19 0.11 0.13 0.00 -0.16 0.00 0.00 57.16 57.43 3i2c n GLU 85 Cb 0.78 -1.50 0.69 0.00 1.43 0.00 0.00 31.44 32.84 3i2c n GLU 85 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 3i2c n ASP 86 N -1.42 0.00 -4.55 -1.84 8.00 -0.30 -4.73 116.55 111.72 3i2c n ASP 86 Ca 0.07 -0.14 -0.34 0.00 0.71 0.00 0.00 54.79 55.09 3i2c n ASP 86 Cb 0.22 -0.27 -0.03 0.00 -0.02 0.00 0.00 41.12 41.02 3i2c n ASP 86 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i2c s ALA 87 N -2.54 1.69 0.23 2.24 0.00 -1.19 -4.77 121.76 117.41 3i2c s ALA 87 Ca 0.26 -0.31 -0.10 0.00 0.00 0.00 0.00 51.96 51.81 3i2c s ALA 87 Cb 0.18 -4.37 0.04 0.00 0.00 0.00 0.00 23.12 18.97 3i2c s ALA 87 CO 0.41 -4.46 0.51 0.00 0.00 0.00 0.00 175.76 172.21 3i2c n ALA 88 N 15.22 -1.17 -2.49 0.00 0.00 -1.23 -4.81 120.51 126.02 3i2c n ALA 88 Ca 0.33 -0.76 -0.33 0.00 0.00 0.00 0.00 53.44 52.68 3i2c n ALA 88 Cb 0.53 0.59 -0.13 0.00 0.00 0.00 0.00 19.45 20.44 3i2c n ALA 88 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3i2c s THR 89 N -2.42 3.11 -0.08 0.00 2.01 -0.39 -0.89 115.64 116.98 3i2c s THR 89 Ca 0.10 -0.75 0.03 0.00 0.31 0.00 0.00 61.69 61.38 3i2c s THR 89 Cb -0.03 -2.24 -0.01 0.00 0.01 0.00 0.00 72.50 70.23 3i2c s THR 89 CO 0.07 0.56 -0.19 -0.31 -0.69 0.00 0.00 174.62 174.06 3i2c s TYR 90 N -0.77 2.63 -0.04 4.92 2.02 0.87 -0.56 117.35 126.41 3i2c s TYR 90 Ca 0.12 -0.58 0.05 0.00 -0.37 0.00 0.00 57.07 56.29 3i2c s TYR 90 Cb -0.11 -1.69 -0.01 0.00 -0.40 0.00 0.00 41.96 39.76 3i2c s TYR 90 CO 0.01 -0.13 -0.19 0.71 -1.57 0.00 0.00 175.55 174.38 3i2c s TYR 91 N -0.12 1.90 0.37 2.71 2.02 0.00 -1.09 117.35 123.14 3i2c s TYR 91 Ca -0.03 -0.53 -0.02 0.00 -0.37 0.00 0.00 57.07 56.12 3i2c s TYR 91 Cb -0.14 -1.26 -0.04 0.00 -0.40 0.00 0.00 41.96 40.12 3i2c s TYR 91 CO 0.04 -0.16 0.61 0.00 -1.57 0.00 0.00 175.55 174.47 3i2c s GLN 93 N -4.23 0.45 0.00 0.00 0.74 0.14 -0.24 119.66 116.52 3i2c s GLN 93 Ca 0.43 -0.58 0.08 0.00 0.05 0.00 0.00 55.36 55.34 3i2c s GLN 93 Cb -0.10 0.17 -0.03 0.00 1.10 0.00 0.00 33.01 34.16 3i2c s GLN 93 CO 0.37 -0.10 -0.23 -1.58 -0.55 0.00 0.00 175.29 173.20 3i2c s HIS 94 N -1.75 2.42 0.00 1.67 5.65 -0.00 -2.14 115.29 121.14 3i2c s HIS 94 Ca -0.12 -0.36 0.00 0.00 0.25 0.00 0.00 55.06 54.82 3i2c s HIS 94 Cb -0.07 -1.48 0.00 0.00 -1.18 0.00 0.00 32.58 29.85 3i2c s HIS 94 CO -0.01 0.08 0.09 0.43 -0.65 0.00 0.00 174.74 174.69 3i2c n SER 95 N 2.10 0.19 0.00 9.88 7.64 -0.74 -3.13 113.62 129.55 3i2c n SER 95 Ca -0.16 -0.52 0.00 0.00 1.01 0.00 0.00 58.87 59.19 3i2c n SER 95 Cb 0.52 0.46 0.00 0.00 -1.01 0.00 0.00 64.21 64.18 3i2c n SER 95 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i2c n GLY 96 N 0.46 1.82 3.77 0.23 0.00 -1.26 -4.75 105.19 105.46 3i2c n GLY 96 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3i2c n GLY 96 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3i2c s GLU 97 N 0.00 4.23 0.60 1.61 -1.05 -1.26 -4.91 118.70 117.92 3i2c s GLU 97 Ca 0.00 2.39 -0.18 0.00 -0.15 0.00 0.00 54.97 57.03 3i2c s GLU 97 Cb 0.00 -3.03 -0.03 0.00 -0.44 0.00 0.00 34.13 30.63 3i2c s GLU 97 CO 0.00 -0.37 1.18 -0.51 0.95 0.00 0.00 175.26 176.51 3i2c s LEU 98 N -1.80 3.63 0.55 1.83 1.43 -1.26 -4.34 118.68 118.72 3i2c s LEU 98 Ca 0.52 2.30 -0.16 0.00 -1.03 0.00 0.00 54.13 55.76 3i2c s LEU 98 Cb -0.43 -4.59 -0.06 0.00 0.03 0.00 0.00 46.19 41.14 3i2c s LEU 98 CO 0.57 -1.56 1.01 -2.16 0.23 0.00 0.00 176.35 174.44 3i2c s PRO 99 N -3.43 3.74 0.21 1.29 0.04 -1.26 -4.89 135.00 130.70 3i2c s PRO 99 Ca 0.75 0.99 -0.30 0.00 0.04 0.00 0.00 61.00 62.48 3i2c s PRO 99 Cb -0.28 -2.10 -0.10 0.00 0.04 0.00 0.00 34.50 32.06 3i2c s PRO 99 CO 0.33 -0.45 1.43 -0.06 0.04 0.00 0.00 177.00 178.29 3i2c s PHE 100 N -2.66 3.10 0.07 0.56 0.40 -1.26 -4.76 117.98 113.43 3i2c s PHE 100 Ca 0.59 1.00 0.05 0.00 -0.60 0.00 0.00 56.93 57.98 3i2c s PHE 100 Cb -0.12 -3.78 -0.03 0.00 0.51 0.00 0.00 43.02 39.61 3i2c s PHE 100 CO 0.36 -2.58 -0.14 0.95 0.70 0.00 0.00 175.22 174.51 3i2c s THR 101 N 0.30 1.10 0.15 0.64 -4.23 -1.19 -4.99 115.64 107.42 3i2c s THR 101 Ca 0.61 -1.32 0.08 0.00 -1.18 0.00 0.00 61.69 59.87 3i2c s THR 101 Cb -0.40 -1.08 -0.04 0.00 1.34 0.00 0.00 72.50 72.32 3i2c s THR 101 CO 0.39 -0.25 -0.07 -0.36 -0.54 0.00 0.00 174.62 173.80 3i2c s PHE 102 N -1.34 2.75 0.95 3.99 0.40 -1.26 -0.82 117.98 122.64 3i2c s PHE 102 Ca -0.02 -0.17 -0.14 0.00 -0.60 0.00 0.00 56.93 56.01 3i2c s PHE 102 Cb -0.10 -1.37 0.16 0.00 0.51 0.00 0.00 43.02 42.22 3i2c s PHE 102 CO 0.02 0.48 1.18 0.20 0.70 0.00 0.00 175.22 177.80 3i2c s GLY 103 N -2.62 1.62 0.34 4.36 0.00 0.66 -4.60 107.32 107.07 3i2c s GLY 103 Ca 0.24 -0.73 0.15 0.00 0.00 0.00 0.00 44.72 44.38 3i2c s GLY 103 CO 0.16 -0.10 1.69 0.23 0.00 0.00 0.00 173.10 175.08 3i2c h SER 104 N -1.61 0.00 -3.72 1.64 0.87 -1.89 -3.44 113.55 105.40 3i2c h SER 104 Ca -0.48 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.08 3i2c h SER 104 Cb 1.31 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.27 3i2c h SER 104 CO 0.54 0.47 0.00 0.61 -0.53 0.00 0.00 176.83 177.92 3i2c n GLY 105 N 0.19 2.92 2.79 5.77 0.00 -1.26 -5.07 105.19 110.53 3i2c n GLY 105 Ca -0.01 -1.69 -0.18 0.00 0.00 0.00 0.00 46.02 44.14 3i2c n GLY 105 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i2c s THR 106 N -1.74 -0.23 -0.15 2.61 2.01 -0.25 -4.61 115.64 113.27 3i2c s THR 106 Ca 0.00 0.28 -0.15 0.00 0.31 0.00 0.00 61.69 62.13 3i2c s THR 106 Cb 0.00 -0.34 -0.05 0.00 0.01 0.00 0.00 72.50 72.13 3i2c s THR 106 CO 0.00 0.08 0.33 -0.75 -0.69 0.00 0.00 174.62 173.60 3i2c s LYS 107 N 2.27 4.26 -0.47 4.92 2.20 -0.64 -0.09 119.74 132.18 3i2c s LYS 107 Ca 0.04 0.18 -0.16 0.00 -0.36 0.00 0.00 55.97 55.66 3i2c s LYS 107 Cb -0.13 -3.42 0.06 0.00 -1.51 0.00 0.00 37.83 32.84 3i2c s LYS 107 CO -0.06 0.24 0.42 -1.17 -0.36 0.00 0.00 175.35 174.41 3i2c s LEU 108 N 0.45 5.46 0.00 5.43 0.20 -0.07 -1.61 118.68 128.55 3i2c s LEU 108 Ca 0.19 -1.21 -0.30 0.00 0.69 0.00 0.00 54.13 53.50 3i2c s LEU 108 Cb -0.13 -2.22 -0.04 0.00 -0.43 0.00 0.00 46.19 43.36 3i2c s LEU 108 CO 0.05 -0.66 1.11 -1.61 -0.29 0.00 0.00 176.35 174.96 3i2c s GLU 109 N 1.80 4.45 -0.27 1.98 2.02 0.39 -3.58 118.70 125.49 3i2c s GLU 109 Ca 0.06 1.61 -0.24 0.00 0.02 0.00 0.00 54.97 56.42 3i2c s GLU 109 Cb -0.23 -3.44 -0.00 0.00 0.10 0.00 0.00 34.13 30.56 3i2c s GLU 109 CO 0.08 -0.24 0.80 0.42 0.02 0.00 0.00 175.26 176.34 3i2c s ILE 110 N 1.36 4.83 0.09 -1.63 -1.09 -1.26 -1.27 121.20 122.23 3i2c s ILE 110 Ca 0.55 1.39 -0.29 0.00 -2.23 0.00 0.00 60.65 60.08 3i2c s ILE 110 Cb -0.25 -4.11 -0.06 0.00 -1.58 0.00 0.00 42.46 36.47 3i2c s ILE 110 CO 0.26 -0.13 0.91 -0.75 -1.23 0.00 0.00 174.94 174.00 3i2c s LYS 111 N 2.85 4.63 0.11 2.79 2.20 0.23 -4.85 119.74 127.70 3i2c s LYS 111 Ca 0.33 1.34 -0.17 0.00 -0.36 0.00 0.00 55.97 57.11 3i2c s LYS 111 Cb -0.15 -3.38 0.04 0.00 -1.51 0.00 0.00 37.83 32.83 3i2c s LYS 111 CO 0.09 0.22 0.41 0.50 -0.36 0.00 0.00 175.35 176.22 3i2c s ARG 112 N 0.03 1.04 0.52 4.03 3.00 -1.26 -4.06 118.95 122.26 3i2c s ARG 112 Ca 0.45 -0.61 -0.22 0.00 -1.00 0.00 0.00 55.73 54.35 3i2c s ARG 112 Cb -0.22 0.46 -0.06 0.00 0.00 0.00 0.00 34.95 35.12 3i2c s ARG 112 CO 0.28 -0.40 1.17 0.00 0.00 0.00 0.00 175.30 176.35 3i2c n ALA 113 N -0.05 0.89 -1.62 6.12 0.00 -1.26 -4.91 120.51 119.68 3i2c n ALA 113 Ca -0.17 0.13 -0.40 0.00 0.00 0.00 0.00 53.44 53.00 3i2c n ALA 113 Cb 0.63 -2.22 0.02 0.00 0.00 0.00 0.00 19.45 17.88 3i2c n ALA 113 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3i2c n ASP 114 N -0.51 1.29 -3.70 0.00 8.00 -1.26 -4.80 116.55 115.57 3i2c n ASP 114 Ca 0.11 0.97 -0.12 0.00 0.71 0.00 0.00 54.79 56.46 3i2c n ASP 114 Cb 0.44 -1.39 -0.10 0.00 -0.02 0.00 0.00 41.12 40.05 3i2c n ASP 114 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i2c s ALA 115 N -1.35 -1.14 0.38 2.24 0.00 -0.68 -4.94 121.76 116.28 3i2c s ALA 115 Ca 0.67 1.47 -0.24 0.00 0.00 0.00 0.00 51.96 53.86 3i2c s ALA 115 Cb -0.50 -0.88 -0.10 0.00 0.00 0.00 0.00 23.12 21.65 3i2c s ALA 115 CO 0.54 -0.25 0.99 0.00 0.00 0.00 0.00 175.76 177.04 3i2c s ALA 116 N 0.87 3.11 0.25 0.00 0.00 -1.26 -1.75 121.76 122.98 3i2c s ALA 116 Ca -0.05 0.58 -0.30 0.00 0.00 0.00 0.00 51.96 52.19 3i2c s ALA 116 Cb -0.06 -3.22 -0.09 0.00 0.00 0.00 0.00 23.12 19.75 3i2c s ALA 116 CO -0.07 -0.02 1.14 -1.25 0.00 0.00 0.00 175.76 175.56 3i2c s PRO 117 N -2.50 4.57 -0.41 0.00 0.04 -1.26 -4.40 135.00 131.05 3i2c s PRO 117 Ca 0.56 1.85 -0.22 0.00 0.04 0.00 0.00 61.00 63.24 3i2c s PRO 117 Cb -0.18 -3.20 0.02 0.00 0.04 0.00 0.00 34.50 31.18 3i2c s PRO 117 CO 0.23 0.09 0.72 0.99 0.04 0.00 0.00 177.00 179.08 3i2c s THR 118 N -0.82 4.75 -0.02 1.26 2.01 -0.33 -4.84 115.64 117.65 3i2c s THR 118 Ca 0.47 0.50 0.01 0.00 0.31 0.00 0.00 61.69 62.98 3i2c s THR 118 Cb -0.33 -4.22 -0.03 0.00 0.01 0.00 0.00 72.50 67.93 3i2c s THR 118 CO 0.41 -0.54 -0.02 0.68 -0.69 0.00 0.00 174.62 174.45 3i2c s VAL 119 N 3.03 4.03 -0.10 3.82 -7.23 -1.25 -0.49 120.40 122.22 3i2c s VAL 119 Ca 0.28 -0.55 -0.05 0.00 -1.81 0.00 0.00 61.98 59.84 3i2c s VAL 119 Cb -0.13 -2.75 0.05 0.00 0.56 0.00 0.00 36.38 34.10 3i2c s VAL 119 CO 0.19 0.45 0.23 -0.44 -0.31 0.00 0.00 175.10 175.22 3i2c s SER 120 N -1.31 -0.23 0.21 4.85 0.01 0.30 -4.94 113.70 112.58 3i2c s SER 120 Ca 0.17 0.49 -0.01 0.00 1.31 0.00 0.00 55.95 57.92 3i2c s SER 120 Cb -0.11 0.38 -0.04 0.00 0.21 0.00 0.00 66.02 66.46 3i2c s SER 120 CO 0.07 -0.16 0.40 -0.51 0.41 0.00 0.00 173.24 173.44 3i2c s ILE 121 N 1.27 5.20 -0.05 1.44 2.07 -1.26 -0.48 121.20 129.39 3i2c s ILE 121 Ca -0.09 -0.38 -0.02 0.00 -1.41 0.00 0.00 60.65 58.75 3i2c s ILE 121 Cb -0.11 -3.74 0.04 0.00 0.13 0.00 0.00 42.46 38.78 3i2c s ILE 121 CO -0.08 -0.19 0.11 -0.36 -1.91 0.00 0.00 174.94 172.50 3i2c s PHE 122 N -1.89 -0.09 0.93 3.50 0.08 0.30 -4.99 117.98 115.82 3i2c s PHE 122 Ca 0.38 0.37 -0.12 0.00 0.12 0.00 0.00 56.93 57.69 3i2c s PHE 122 Cb -0.11 -0.17 0.15 0.00 -0.57 0.00 0.00 43.02 42.32 3i2c s PHE 122 CO 0.29 -0.15 1.09 -2.14 -0.10 0.00 0.00 175.22 174.21 3i2c s PRO 123 N 1.30 0.98 0.62 0.24 0.02 -1.26 -1.74 135.00 135.16 3i2c s PRO 123 Ca -0.07 0.72 -0.17 0.00 0.02 0.00 0.00 61.00 61.49 3i2c s PRO 123 Cb -0.12 -1.78 -0.02 0.00 0.02 0.00 0.00 34.50 32.59 3i2c s PRO 123 CO -0.05 -2.41 1.17 -2.14 -0.33 0.00 0.00 177.00 173.25 3i2c s PRO 124 N -4.95 2.87 0.36 5.54 0.02 -1.18 -4.74 135.00 132.91 3i2c s PRO 124 Ca 0.64 1.67 -0.26 0.00 0.02 0.00 0.00 61.00 63.08 3i2c s PRO 124 Cb -0.18 -1.93 -0.09 0.00 0.02 0.00 0.00 34.50 32.31 3i2c s PRO 124 CO 0.57 -1.25 1.03 -1.54 -0.33 0.00 0.00 177.00 175.48 3i2c s SER 125 N -1.93 7.01 0.61 2.53 1.04 -1.26 -4.93 113.70 116.77 3i2c s SER 125 Ca 0.74 2.02 0.33 0.00 0.48 0.00 0.00 55.95 59.51 3i2c s SER 125 Cb -0.27 -2.59 1.92 0.00 0.10 0.00 0.00 66.02 65.18 3i2c s SER 125 CO 0.36 -0.31 2.23 0.28 0.98 0.00 0.00 173.24 176.78 3i2c h SER 126 N 2.93 0.00 0.20 7.02 0.02 -2.00 -2.42 113.55 119.30 3i2c h SER 126 Ca -0.48 0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 60.17 3i2c h SER 126 Cb 1.21 0.00 0.03 0.00 0.14 0.00 0.00 62.40 63.78 3i2c h SER 126 CO 0.64 0.00 -1.31 -0.33 -1.14 0.00 0.00 176.83 174.69 3i2c h GLU 127 N 0.00 0.53 -0.41 3.45 5.08 -1.98 -3.03 114.58 118.22 3i2c h GLU 127 Ca 0.02 -0.84 -0.10 0.00 -1.00 0.00 0.00 59.36 57.43 3i2c h GLU 127 Cb 0.14 0.30 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 3i2c h GLU 127 CO -0.00 1.40 -0.15 0.37 -1.00 0.00 0.00 179.01 179.63 3i2c h GLN 128 N 0.10 0.82 -0.96 2.33 4.15 -1.76 -2.81 115.11 116.98 3i2c h GLN 128 Ca -0.22 -0.34 0.18 0.00 0.77 0.00 0.00 58.65 59.04 3i2c h GLN 128 Cb 2.02 -0.03 -0.10 0.00 0.21 0.00 0.00 27.48 29.57 3i2c h GLN 128 CO 0.25 0.97 0.56 -0.07 -1.93 0.00 0.00 178.83 178.61 3i2c h LEU 129 N 0.64 0.72 -2.08 -2.39 3.38 -1.34 -0.10 115.31 114.14 3i2c h LEU 129 Ca 0.10 0.10 0.09 0.00 0.09 0.00 0.00 57.88 58.25 3i2c h LEU 129 Cb 0.70 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 3i2c h LEU 129 CO 0.05 0.27 0.34 0.74 0.09 0.00 0.00 178.44 179.93 3i2c h THR 130 N 0.73 0.40 -1.07 0.22 2.02 -1.36 -2.66 112.91 111.18 3i2c h THR 130 Ca 0.55 0.00 -0.60 0.00 0.77 0.00 0.00 66.41 67.13 3i2c h THR 130 Cb 0.82 0.72 -0.39 0.00 -1.74 0.00 0.00 68.15 67.57 3i2c h THR 130 CO -0.38 0.00 -0.35 -1.54 0.37 0.00 0.00 175.52 173.63 3i2c n SER 131 N -3.72 5.59 0.00 4.18 3.41 -0.05 -4.96 113.62 118.06 3i2c n SER 131 Ca 0.05 -3.76 0.00 0.00 -0.26 0.00 0.00 58.87 54.90 3i2c n SER 131 Cb 0.49 -0.54 0.00 0.00 -0.26 0.00 0.00 64.21 63.90 3i2c n SER 131 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i2c n GLY 132 N -0.68 1.78 3.52 5.00 0.00 -1.00 -4.97 105.19 108.83 3i2c n GLY 132 Ca 0.47 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.25 3i2c n GLY 132 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i2c s GLY 133 N -2.00 1.79 -0.18 -0.02 0.00 -1.23 -1.12 107.32 104.56 3i2c s GLY 133 Ca 0.00 -1.75 -0.04 0.00 0.00 0.00 0.00 44.72 42.93 3i2c s GLY 133 CO 0.00 -1.81 0.26 0.00 0.00 0.00 0.00 173.10 171.54 3i2c s ALA 134 N -2.26 -0.49 -0.17 3.20 0.00 -0.69 -2.97 121.76 118.38 3i2c s ALA 134 Ca 0.29 0.58 -0.05 0.00 0.00 0.00 0.00 51.96 52.78 3i2c s ALA 134 Cb -0.06 -1.27 -0.03 0.00 0.00 0.00 0.00 23.12 21.76 3i2c s ALA 134 CO 0.16 -1.03 -0.01 -1.12 0.00 0.00 0.00 175.76 173.76 3i2c s SER 135 N 2.39 4.96 -0.21 0.00 0.01 -1.26 -1.45 113.70 118.14 3i2c s SER 135 Ca 0.06 -0.11 -0.05 0.00 1.31 0.00 0.00 55.95 57.16 3i2c s SER 135 Cb -0.14 -1.83 -0.02 0.00 0.21 0.00 0.00 66.02 64.24 3i2c s SER 135 CO -0.11 0.14 -0.01 -0.69 0.41 0.00 0.00 173.24 172.98 3i2c s VAL 136 N 0.56 3.78 -0.02 3.43 1.01 -0.39 -3.08 120.40 125.69 3i2c s VAL 136 Ca -0.01 -0.36 0.03 0.00 0.00 0.00 0.00 61.98 61.64 3i2c s VAL 136 Cb -0.14 -2.72 -0.03 0.00 0.00 0.00 0.00 36.38 33.49 3i2c s VAL 136 CO 0.02 0.41 -0.09 -0.69 0.00 0.00 0.00 175.10 174.75 3i2c s VAL 137 N 1.28 3.50 -0.06 2.92 1.01 -0.71 -1.87 120.40 126.46 3i2c s VAL 137 Ca 0.04 -0.71 0.03 0.00 0.00 0.00 0.00 61.98 61.34 3i2c s VAL 137 Cb -0.15 -2.47 0.01 0.00 0.00 0.00 0.00 36.38 33.78 3i2c s VAL 137 CO 0.00 0.48 -0.14 0.00 0.00 0.00 0.00 175.10 175.44 3i2c s PHE 139 N 0.44 3.01 -0.60 0.00 0.08 0.37 -1.78 117.98 119.50 3i2c s PHE 139 Ca -0.12 -0.66 -0.02 0.00 0.12 0.00 0.00 56.93 56.25 3i2c s PHE 139 Cb -0.15 -2.13 0.15 0.00 -0.57 0.00 0.00 43.02 40.33 3i2c s PHE 139 CO 0.04 -0.41 0.40 -0.51 -0.10 0.00 0.00 175.22 174.64 3i2c s LEU 140 N 1.37 5.10 0.22 -0.37 1.43 -0.96 -0.54 118.68 124.92 3i2c s LEU 140 Ca 0.05 -2.84 0.01 0.00 -1.03 0.00 0.00 54.13 50.32 3i2c s LEU 140 Cb -0.15 -1.82 -0.04 0.00 0.03 0.00 0.00 46.19 44.22 3i2c s LEU 140 CO 0.00 -0.36 0.38 0.20 0.23 0.00 0.00 176.35 176.81 3i2c s ASN 141 N 0.59 6.35 -1.38 2.29 0.01 0.36 -1.25 114.94 121.90 3i2c s ASN 141 Ca 0.17 0.28 -0.01 0.00 -0.71 0.00 0.00 52.86 52.59 3i2c s ASN 141 Cb -0.21 -1.96 -0.00 0.00 0.41 0.00 0.00 41.25 39.49 3i2c s ASN 141 CO -0.03 -0.06 0.46 0.59 -1.51 0.00 0.00 177.10 176.55 3i2c n ASN 142 N -0.95 -0.64 -4.85 -1.22 3.02 -0.89 -1.18 115.26 108.56 3i2c n ASN 142 Ca -0.06 -0.99 -0.21 0.00 -0.03 0.00 0.00 54.58 53.28 3i2c n ASN 142 Cb 0.55 -3.16 -0.04 0.00 -0.61 0.00 0.00 39.78 36.53 3i2c n ASN 142 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 3i2c s PHE 143 N -3.91 2.92 -0.14 3.10 -0.71 0.12 -4.58 117.98 114.78 3i2c s PHE 143 Ca 0.03 -0.29 -0.12 0.00 -1.04 0.00 0.00 56.93 55.51 3i2c s PHE 143 Cb -0.01 -1.76 0.04 0.00 -1.21 0.00 0.00 43.02 40.08 3i2c s PHE 143 CO 0.88 0.22 0.38 -0.47 -1.34 0.00 0.00 175.22 174.89 3i2c s TYR 144 N -2.29 -0.43 0.97 3.49 5.04 -0.72 0.25 117.35 123.65 3i2c s TYR 144 Ca 0.40 1.04 -0.15 0.00 -2.44 0.00 0.00 57.07 55.92 3i2c s TYR 144 Cb -0.06 0.15 0.22 0.00 0.35 0.00 0.00 41.96 42.62 3i2c s TYR 144 CO 0.26 -0.22 1.32 -1.25 -1.34 0.00 0.00 175.55 174.33 3i2c s PRO 145 N 0.37 0.48 0.54 4.97 0.05 -1.26 -1.69 135.00 138.47 3i2c s PRO 145 Ca -0.01 -0.60 0.26 0.00 0.05 0.00 0.00 61.00 60.70 3i2c s PRO 145 Cb -0.04 -1.88 1.43 0.00 0.05 0.00 0.00 34.50 34.06 3i2c s PRO 145 CO -0.01 -2.48 1.99 -0.22 0.05 0.00 0.00 177.00 176.33 3i2c h LYS 146 N -1.64 0.00 -6.37 4.56 3.64 -1.97 -3.43 116.57 111.36 3i2c h LYS 146 Ca -0.43 0.00 -0.54 0.00 -1.27 0.00 0.00 60.65 58.41 3i2c h LYS 146 Cb 1.22 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.03 3i2c h LYS 146 CO 0.33 0.00 0.80 -0.51 -2.27 0.00 0.00 179.45 177.80 3i2c s ASP 147 N -6.07 6.89 0.12 4.20 1.11 -1.26 -4.99 116.67 116.67 3i2c s ASP 147 Ca -0.05 2.06 -0.25 0.00 0.18 0.00 0.00 52.55 54.49 3i2c s ASP 147 Cb 0.19 -2.56 0.07 0.00 1.07 0.00 0.00 42.92 41.69 3i2c s ASP 147 CO 0.70 -0.69 0.63 -0.51 1.18 0.00 0.00 175.17 176.48 3i2c s ILE 148 N 2.32 0.00 -0.04 0.77 2.07 -1.26 -4.60 121.20 120.45 3i2c s ILE 148 Ca 0.62 0.00 -0.03 0.00 -1.41 0.00 0.00 60.65 59.83 3i2c s ILE 148 Cb -0.30 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 41.31 3i2c s ILE 148 CO 0.26 0.00 0.11 0.21 -1.91 0.00 0.00 174.94 173.60 3i2c s ASN 149 N -2.49 -0.09 -0.16 4.50 2.47 -0.77 -5.02 114.94 113.38 3i2c s ASN 149 Ca -0.01 0.22 0.01 0.00 0.42 0.00 0.00 52.86 53.50 3i2c s ASN 149 Cb -0.01 0.18 0.01 0.00 -1.45 0.00 0.00 41.25 39.97 3i2c s ASN 149 CO -0.09 -0.07 -0.18 0.54 -3.72 0.00 0.00 177.10 173.57 3i2c s VAL 150 N 0.46 2.35 -0.17 -5.21 0.11 -1.26 -0.83 120.40 115.85 3i2c s VAL 150 Ca -0.03 -0.87 -0.04 0.00 -2.93 0.00 0.00 61.98 58.11 3i2c s VAL 150 Cb -0.05 -1.98 -0.02 0.00 -1.53 0.00 0.00 36.38 32.80 3i2c s VAL 150 CO -0.02 0.53 -0.04 -0.54 -3.33 0.00 0.00 175.10 171.70 3i2c s LYS 151 N 0.92 3.58 -0.08 1.54 1.02 0.18 -4.94 119.74 121.97 3i2c s LYS 151 Ca -0.04 -0.56 -0.15 0.00 0.02 0.00 0.00 55.97 55.25 3i2c s LYS 151 Cb -0.15 -2.92 -0.05 0.00 -0.52 0.00 0.00 37.83 34.19 3i2c s LYS 151 CO -0.03 0.13 0.37 -1.58 -0.92 0.00 0.00 175.35 173.32 3i2c s TRP 152 N 0.65 3.60 -0.16 3.18 0.52 -1.26 -0.07 118.94 125.40 3i2c s TRP 152 Ca -0.03 0.83 0.00 0.00 0.02 0.00 0.00 56.10 56.93 3i2c s TRP 152 Cb -0.14 -2.33 0.03 0.00 -1.15 0.00 0.00 33.47 29.87 3i2c s TRP 152 CO 0.02 0.44 -0.13 0.15 0.02 0.00 0.00 176.95 177.45 3i2c s LYS 153 N -0.30 2.25 -0.42 4.98 3.01 -0.72 -2.09 119.74 126.45 3i2c s LYS 153 Ca 0.22 -0.63 -0.11 0.00 -1.01 0.00 0.00 55.97 54.44 3i2c s LYS 153 Cb -0.15 -2.19 0.07 0.00 -1.01 0.00 0.00 37.83 34.55 3i2c s LYS 153 CO 0.10 -0.28 0.28 0.42 0.51 0.00 0.00 175.35 176.38 3i2c s ILE 154 N 1.46 4.50 0.00 2.17 1.01 -0.34 -1.10 121.20 128.90 3i2c s ILE 154 Ca 0.04 -1.25 0.00 0.00 0.00 0.00 0.00 60.65 59.44 3i2c s ILE 154 Cb -0.14 -3.70 0.00 0.00 0.01 0.00 0.00 42.46 38.63 3i2c s ILE 154 CO -0.10 -0.48 0.00 0.47 0.00 0.00 0.00 174.94 174.83 3i2c n ASP 155 N 4.99 0.00 -1.57 3.58 8.00 -0.21 -2.90 116.55 128.44 3i2c n ASP 155 Ca -0.11 0.00 -0.05 0.00 0.71 0.00 0.00 54.79 55.34 3i2c n ASP 155 Cb 0.44 0.00 0.19 0.00 -0.02 0.00 0.00 41.12 41.72 3i2c n ASP 155 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i2c n GLY 156 N 0.00 2.99 3.19 0.44 0.00 -1.26 -4.92 105.19 105.63 3i2c n GLY 156 Ca 0.00 -0.63 -0.20 0.00 0.00 0.00 0.00 46.02 45.18 3i2c n GLY 156 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3i2c s SER 157 N -0.47 1.90 0.17 1.61 0.01 -1.14 -5.13 113.70 110.63 3i2c s SER 157 Ca 0.35 -0.58 -0.24 0.00 1.31 0.00 0.00 55.95 56.80 3i2c s SER 157 Cb 0.28 -0.09 -0.08 0.00 0.21 0.00 0.00 66.02 66.34 3i2c s SER 157 CO 0.09 -0.00 0.74 -0.70 0.41 0.00 0.00 173.24 173.78 3i2c s GLU 158 N -1.55 4.48 -0.31 12.44 2.12 -1.26 -1.20 118.70 133.41 3i2c s GLU 158 Ca 0.01 1.06 0.02 0.00 0.36 0.00 0.00 54.97 56.43 3i2c s GLU 158 Cb -0.09 -3.19 0.09 0.00 0.26 0.00 0.00 34.13 31.20 3i2c s GLU 158 CO 0.02 0.55 0.04 0.50 -0.54 0.00 0.00 175.26 175.84 3i2c s ARG 159 N -1.28 1.30 -0.48 4.30 6.06 -0.89 -4.89 118.95 123.07 3i2c s ARG 159 Ca 0.36 -1.48 -0.02 0.00 -2.50 0.00 0.00 55.73 52.10 3i2c s ARG 159 Cb -0.22 -2.73 0.13 0.00 0.06 0.00 0.00 34.95 32.19 3i2c s ARG 159 CO 0.24 -0.89 0.27 -0.65 -2.50 0.00 0.00 175.30 171.78 3i2c s GLN 160 N 1.20 2.14 0.15 5.12 -0.21 -1.26 -4.60 119.66 122.20 3i2c s GLN 160 Ca 0.07 -2.10 0.00 0.00 0.02 0.00 0.00 55.36 53.35 3i2c s GLN 160 Cb -0.18 -3.59 0.00 0.00 1.00 0.00 0.00 33.01 30.24 3i2c s GLN 160 CO -0.13 -1.10 0.00 0.09 -2.12 0.00 0.00 175.29 172.03 3i2c n ASN 161 N 4.13 -0.93 -2.86 5.90 4.13 -1.26 -5.00 115.26 119.37 3i2c n ASN 161 Ca 0.02 0.28 -0.35 0.00 1.68 0.00 0.00 54.58 56.21 3i2c n ASN 161 Cb 0.40 1.06 0.02 0.00 -1.54 0.00 0.00 39.78 39.72 3i2c n ASN 161 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3i2c n GLY 162 N -0.07 5.74 3.62 7.41 0.00 -1.26 -5.00 105.19 115.63 3i2c n GLY 162 Ca 0.00 -2.60 -0.36 0.00 0.00 0.00 0.00 46.02 43.06 3i2c n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i2c s VAL 163 N -5.11 4.96 -0.18 1.61 1.01 -1.26 -0.62 120.40 120.81 3i2c s VAL 163 Ca 0.49 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.51 3i2c s VAL 163 Cb 0.39 -3.28 0.04 0.00 0.00 0.00 0.00 36.38 33.53 3i2c s VAL 163 CO -0.30 0.40 -0.09 -0.22 0.00 0.00 0.00 175.10 174.88 3i2c s LEU 164 N 0.82 1.93 0.18 3.92 2.96 -0.61 -4.96 118.68 122.92 3i2c s LEU 164 Ca 0.05 -0.72 0.06 0.00 -0.22 0.00 0.00 54.13 53.31 3i2c s LEU 164 Cb -0.13 -1.11 -0.04 0.00 0.50 0.00 0.00 46.19 45.41 3i2c s LEU 164 CO 0.02 -0.14 0.07 0.20 -1.32 0.00 0.00 176.35 175.19 3i2c s ASN 165 N 1.49 5.13 -0.19 3.68 0.01 -1.26 -0.25 114.94 123.56 3i2c s ASN 165 Ca 0.01 -0.29 -0.13 0.00 -0.71 0.00 0.00 52.86 51.74 3i2c s ASN 165 Cb -0.15 -1.22 0.06 0.00 0.41 0.00 0.00 41.25 40.35 3i2c s ASN 165 CO -0.09 0.06 0.48 -0.55 -1.51 0.00 0.00 177.10 175.49 3i2c s SER 166 N -3.14 -0.58 -0.03 -1.22 0.15 0.04 -4.98 113.70 103.94 3i2c s SER 166 Ca 0.30 1.01 0.07 0.00 0.70 0.00 0.00 55.95 58.03 3i2c s SER 166 Cb -0.09 0.93 -0.02 0.00 -1.71 0.00 0.00 66.02 65.13 3i2c s SER 166 CO 0.21 -0.19 -0.23 0.26 1.20 0.00 0.00 173.24 174.49 3i2c s TRP 167 N 1.08 2.42 0.55 3.44 0.51 -1.26 -0.97 118.94 124.71 3i2c s TRP 167 Ca -0.07 -0.37 -0.10 0.00 -2.12 0.00 0.00 56.10 53.44 3i2c s TRP 167 Cb -0.06 -1.53 -0.05 0.00 -0.81 0.00 0.00 33.47 31.02 3i2c s TRP 167 CO -0.10 0.02 0.94 0.95 -0.51 0.00 0.00 176.95 178.25 3i2c s THR 168 N -0.64 4.75 0.69 2.01 -4.23 -0.33 -5.02 115.64 112.87 3i2c s THR 168 Ca 0.10 0.71 -0.15 0.00 -1.18 0.00 0.00 61.69 61.18 3i2c s THR 168 Cb -0.10 -3.84 0.02 0.00 1.34 0.00 0.00 72.50 69.92 3i2c s THR 168 CO -0.01 -0.96 1.13 -1.81 -0.54 0.00 0.00 174.62 172.44 3i2c s ASP 169 N -3.95 4.77 0.26 3.99 1.11 -1.26 -4.61 116.67 116.98 3i2c s ASP 169 Ca 0.53 2.09 -0.30 0.00 0.18 0.00 0.00 52.55 55.04 3i2c s ASP 169 Cb -0.11 -2.56 -0.13 0.00 1.07 0.00 0.00 42.92 41.19 3i2c s ASP 169 CO 0.47 -1.86 1.32 1.67 1.18 0.00 0.00 175.17 177.95 3i2c n GLN 170 N -2.61 1.90 -2.36 8.23 7.27 -1.26 -4.81 117.38 123.74 3i2c n GLN 170 Ca 0.11 0.67 -0.41 0.00 0.07 0.00 0.00 57.00 57.45 3i2c n GLN 170 Cb 0.52 -2.27 -0.04 0.00 2.41 0.00 0.00 30.24 30.86 3i2c n GLN 170 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 3i2c s ASP 171 N 0.06 7.10 0.35 1.69 -1.08 0.02 -4.93 116.67 119.88 3i2c s ASP 171 Ca 0.65 2.37 0.19 0.00 -0.52 0.00 0.00 52.55 55.24 3i2c s ASP 171 Cb -0.66 -2.63 0.39 0.00 -1.46 0.00 0.00 42.92 38.56 3i2c s ASP 171 CO 0.53 -0.30 1.59 0.28 0.52 0.00 0.00 175.17 177.80 3i2c h SER 172 N 4.03 0.00 0.00 -0.34 0.02 -1.90 -3.35 113.55 112.01 3i2c h SER 172 Ca -0.47 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 3i2c h SER 172 Cb 1.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.76 3i2c h SER 172 CO 0.68 0.34 -0.63 1.17 -1.14 0.00 0.00 176.83 177.25 3i2c n LYS 173 N -3.27 0.34 -2.21 3.45 4.81 -1.26 -3.44 118.16 116.57 3i2c n LYS 173 Ca 0.02 0.14 -0.26 0.00 -0.87 0.00 0.00 58.31 57.34 3i2c n LYS 173 Cb 0.61 -1.10 0.09 0.00 0.02 0.00 0.00 35.03 34.65 3i2c n LYS 173 CO 0.00 0.00 0.00 0.16 1.17 0.00 0.00 177.40 178.73 3i2c s ASP 174 N -5.22 4.45 -0.44 3.14 1.47 -1.26 -4.92 116.67 113.89 3i2c s ASP 174 Ca -0.18 0.30 0.03 0.00 1.18 0.00 0.00 52.55 53.88 3i2c s ASP 174 Cb 0.03 -0.80 0.46 0.00 -0.34 0.00 0.00 42.92 42.26 3i2c s ASP 174 CO 0.27 -1.83 1.53 -1.20 0.68 0.00 0.00 175.17 174.62 3i2c n SER 175 N -3.05 6.03 -4.98 2.11 7.64 -1.26 -4.35 113.62 115.75 3i2c n SER 175 Ca 0.10 -3.77 -0.20 0.00 1.01 0.00 0.00 58.87 56.02 3i2c n SER 175 Cb 0.60 -0.60 -0.00 0.00 -1.01 0.00 0.00 64.21 63.20 3i2c n SER 175 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3i2c s THR 176 N -4.68 4.20 0.27 0.44 -4.23 -1.26 -4.56 115.64 105.82 3i2c s THR 176 Ca 0.57 -0.94 0.09 0.00 -1.18 0.00 0.00 61.69 60.23 3i2c s THR 176 Cb 0.45 -3.47 -0.04 0.00 1.34 0.00 0.00 72.50 70.78 3i2c s THR 176 CO 0.02 -0.20 0.02 -0.31 -0.54 0.00 0.00 174.62 173.62 3i2c s TYR 177 N -2.20 2.72 0.01 3.99 1.51 0.14 -0.80 117.35 122.73 3i2c s TYR 177 Ca 0.44 -0.23 -0.02 0.00 -1.01 0.00 0.00 57.07 56.25 3i2c s TYR 177 Cb -0.10 -1.25 -0.01 0.00 -0.11 0.00 0.00 41.96 40.49 3i2c s TYR 177 CO 0.32 0.59 0.01 -1.12 -1.11 0.00 0.00 175.55 174.23 3i2c s SER 178 N -3.70 0.17 0.18 2.29 0.01 -1.26 0.15 113.70 111.54 3i2c s SER 178 Ca 0.32 -0.38 0.05 0.00 1.31 0.00 0.00 55.95 57.25 3i2c s SER 178 Cb -0.06 0.12 -0.05 0.00 0.21 0.00 0.00 66.02 66.24 3i2c s SER 178 CO 0.20 -0.28 -0.09 -0.32 0.41 0.00 0.00 173.24 173.16 3i2c s MET 179 N -1.29 1.18 -0.12 12.44 1.75 -0.38 -1.18 119.30 131.69 3i2c s MET 179 Ca -0.14 -1.53 -0.05 0.00 -1.25 0.00 0.00 55.69 52.72 3i2c s MET 179 Cb -0.09 -0.73 0.05 0.00 2.84 0.00 0.00 34.83 36.91 3i2c s MET 179 CO -0.00 0.06 0.26 0.45 -0.65 0.00 0.00 175.02 175.13 3i2c s SER 180 N -3.23 0.02 -0.10 1.11 0.15 -0.14 -2.27 113.70 109.24 3i2c s SER 180 Ca 0.20 0.56 0.03 0.00 0.70 0.00 0.00 55.95 57.45 3i2c s SER 180 Cb 0.03 0.55 0.00 0.00 -1.71 0.00 0.00 66.02 64.89 3i2c s SER 180 CO 0.04 -0.20 -0.21 -0.55 1.20 0.00 0.00 173.24 173.51 3i2c s SER 181 N 1.81 2.82 -0.25 5.45 0.15 -0.74 -0.78 113.70 122.16 3i2c s SER 181 Ca -0.04 -0.51 0.02 0.00 0.70 0.00 0.00 55.95 56.11 3i2c s SER 181 Cb -0.11 -1.29 0.06 0.00 -1.71 0.00 0.00 66.02 62.97 3i2c s SER 181 CO -0.09 0.12 -0.07 -0.89 1.20 0.00 0.00 173.24 173.51 3i2c s THR 182 N 0.49 1.81 -0.24 6.45 2.01 0.65 -1.15 115.64 125.66 3i2c s THR 182 Ca -0.16 -1.44 -0.21 0.00 0.31 0.00 0.00 61.69 60.19 3i2c s THR 182 Cb -0.17 -2.03 -0.02 0.00 0.01 0.00 0.00 72.50 70.29 3i2c s THR 182 CO 0.06 -0.10 0.65 -0.22 -0.69 0.00 0.00 174.62 174.32 3i2c s LEU 183 N 1.26 4.08 -0.34 4.42 2.96 -0.78 -1.57 118.68 128.70 3i2c s LEU 183 Ca -0.06 0.77 0.02 0.00 -0.22 0.00 0.00 54.13 54.63 3i2c s LEU 183 Cb -0.19 -2.90 0.09 0.00 0.50 0.00 0.00 46.19 43.69 3i2c s LEU 183 CO -0.06 -0.36 0.07 -0.89 -1.32 0.00 0.00 176.35 173.78 3i2c s THR 184 N 2.41 2.59 0.46 3.68 2.01 0.21 -1.26 115.64 125.74 3i2c s THR 184 Ca 0.28 -2.10 0.08 0.00 0.31 0.00 0.00 61.69 60.26 3i2c s THR 184 Cb -0.16 -2.79 0.01 0.00 0.01 0.00 0.00 72.50 69.58 3i2c s THR 184 CO 0.09 -0.51 0.51 -0.76 -0.69 0.00 0.00 174.62 173.26 3i2c s LEU 185 N 1.02 3.34 0.56 4.42 1.43 -0.53 -4.58 118.68 124.34 3i2c s LEU 185 Ca 0.06 -0.73 -0.11 0.00 -1.03 0.00 0.00 54.13 52.32 3i2c s LEU 185 Cb -0.20 -2.05 -0.05 0.00 0.03 0.00 0.00 46.19 43.91 3i2c s LEU 185 CO -0.06 -0.86 0.97 0.42 0.23 0.00 0.00 176.35 177.05 3i2c s THR 186 N -2.51 4.70 0.21 5.49 -4.23 -1.26 -1.70 115.64 116.34 3i2c s THR 186 Ca 0.51 0.85 -0.10 0.00 -1.18 0.00 0.00 61.69 61.77 3i2c s THR 186 Cb -0.05 -3.82 0.13 0.00 1.34 0.00 0.00 72.50 70.10 3i2c s THR 186 CO 0.30 -0.96 1.80 0.50 -0.54 0.00 0.00 174.62 175.73 3i2c h LYS 187 N 0.16 0.63 -0.28 3.99 3.64 -1.38 -1.89 116.57 121.45 3i2c h LYS 187 Ca -0.45 -0.04 0.06 0.00 -1.27 0.00 0.00 60.65 58.95 3i2c h LYS 187 Cb 1.19 -0.14 -0.08 0.00 -0.41 0.00 0.00 32.23 32.79 3i2c h LYS 187 CO 0.62 0.42 -0.36 -0.44 -2.27 0.00 0.00 179.45 177.42 3i2c h ASP 188 N 0.65 -1.15 0.84 4.20 3.32 -1.94 -1.58 116.42 120.76 3i2c h ASP 188 Ca 0.29 0.18 0.00 0.00 0.02 0.00 0.00 57.03 57.52 3i2c h ASP 188 Cb 0.19 0.51 0.00 0.00 0.22 0.00 0.00 39.33 40.24 3i2c h ASP 188 CO -0.18 -0.36 -0.30 -1.84 -1.72 0.00 0.00 179.24 174.84 3i2c n GLU 189 N -5.42 0.08 -0.18 3.56 0.28 -1.15 -2.15 120.64 115.66 3i2c n GLU 189 Ca -0.01 0.04 -0.10 0.00 -0.16 0.00 0.00 57.16 56.92 3i2c n GLU 189 Cb 0.34 -1.57 0.01 0.00 1.43 0.00 0.00 31.44 31.65 3i2c n GLU 189 CO 0.00 0.00 0.00 -0.92 -0.16 0.00 0.00 177.13 176.05 3i2c h TYR 190 N 0.00 1.15 0.00 -1.84 3.20 -0.80 -3.30 116.97 115.37 3i2c h TYR 190 Ca 0.00 -0.24 -0.17 0.00 3.14 0.00 0.00 58.73 61.45 3i2c h TYR 190 Cb 0.57 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 38.53 3i2c h TYR 190 CO 0.00 1.07 -0.83 1.49 -1.64 0.00 0.00 178.16 178.25 3i2c h GLU 191 N 0.90 0.00 -0.12 1.82 4.57 -0.87 -3.18 114.58 117.70 3i2c h GLU 191 Ca 0.14 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.32 3i2c h GLU 191 Cb 0.69 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.28 3i2c h GLU 191 CO 0.05 0.83 0.00 2.89 -1.18 0.00 0.00 179.01 181.60 3i2c n ARG 192 N -3.54 1.36 -4.21 1.92 1.85 -0.91 -4.81 116.66 108.31 3i2c n ARG 192 Ca -0.00 -0.54 -0.12 0.00 -1.00 0.00 0.00 57.85 56.18 3i2c n ARG 192 Cb 0.80 -1.22 -0.10 0.00 -1.05 0.00 0.00 32.46 30.89 3i2c n ARG 192 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 3i2c s HIS 193 N -1.84 1.09 0.00 2.89 3.76 -1.20 -5.08 115.29 114.91 3i2c s HIS 193 Ca 0.20 -0.94 0.00 0.00 -0.15 0.00 0.00 55.06 54.16 3i2c s HIS 193 Cb 0.10 -0.61 0.00 0.00 1.11 0.00 0.00 32.58 33.17 3i2c s HIS 193 CO 0.15 -0.15 0.00 -1.71 -0.85 0.00 0.00 174.74 172.18 3i2c n ASN 194 N -0.16 0.55 -4.75 1.40 5.15 -1.26 -4.90 115.26 111.30 3i2c n ASN 194 Ca -0.09 0.00 -0.38 0.00 -0.60 0.00 0.00 54.58 53.51 3i2c n ASN 194 Cb 0.62 0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.81 3i2c n ASN 194 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 3i2c s SER 195 N -4.75 6.66 -0.25 1.20 0.15 -1.26 -1.47 113.70 113.99 3i2c s SER 195 Ca 0.00 0.79 -0.01 0.00 0.70 0.00 0.00 55.95 57.43 3i2c s SER 195 Cb 0.00 -2.26 0.07 0.00 -1.71 0.00 0.00 66.02 62.13 3i2c s SER 195 CO 0.00 0.10 0.02 -0.31 1.20 0.00 0.00 173.24 174.25 3i2c s TYR 196 N 0.18 1.89 -0.12 3.44 2.02 -0.78 -1.04 117.35 122.94 3i2c s TYR 196 Ca 0.23 -1.56 -0.04 0.00 -0.37 0.00 0.00 57.07 55.33 3i2c s TYR 196 Cb -0.15 -1.53 -0.04 0.00 -0.40 0.00 0.00 41.96 39.84 3i2c s TYR 196 CO 0.10 -0.76 0.04 0.99 -1.57 0.00 0.00 175.55 174.34 3i2c s THR 197 N 1.56 4.61 -0.29 -0.71 2.01 -0.26 -1.58 115.64 120.98 3i2c s THR 197 Ca 0.01 -0.12 -0.01 0.00 0.31 0.00 0.00 61.69 61.87 3i2c s THR 197 Cb -0.18 -2.99 0.05 0.00 0.01 0.00 0.00 72.50 69.39 3i2c s THR 197 CO -0.12 0.57 -0.03 0.00 -0.69 0.00 0.00 174.62 174.35 3i2c s GLU 199 N 1.24 2.96 -0.32 0.00 2.12 0.90 -2.37 118.70 123.23 3i2c s GLU 199 Ca -0.05 -0.93 -0.04 0.00 0.36 0.00 0.00 54.97 54.31 3i2c s GLU 199 Cb -0.19 -3.24 0.04 0.00 0.26 0.00 0.00 34.13 31.00 3i2c s GLU 199 CO -0.02 -0.44 0.06 0.00 -0.54 0.00 0.00 175.26 174.31 3i2c s ALA 200 N 1.43 2.95 -0.10 6.30 0.00 -0.08 0.50 121.76 132.75 3i2c s ALA 200 Ca 0.01 -1.74 -0.16 0.00 0.00 0.00 0.00 51.96 50.07 3i2c s ALA 200 Cb -0.17 -2.13 -0.05 0.00 0.00 0.00 0.00 23.12 20.78 3i2c s ALA 200 CO -0.00 -1.30 0.41 0.99 0.00 0.00 0.00 175.76 175.87 3i2c s THR 201 N 1.34 5.18 0.15 0.00 2.01 -0.01 -1.43 115.64 122.89 3i2c s THR 201 Ca -0.03 0.82 -0.11 0.00 0.31 0.00 0.00 61.69 62.68 3i2c s THR 201 Cb -0.20 -3.74 0.00 0.00 0.01 0.00 0.00 72.50 68.57 3i2c s THR 201 CO 0.01 0.40 0.33 -2.28 -0.69 0.00 0.00 174.62 172.39 3i2c s HIS 202 N 0.20 0.19 0.34 4.92 2.46 -1.26 -1.85 115.29 120.29 3i2c s HIS 202 Ca 0.23 -0.56 0.02 0.00 0.47 0.00 0.00 55.06 55.23 3i2c s HIS 202 Cb -0.15 0.07 0.63 0.00 -0.13 0.00 0.00 32.58 33.00 3i2c s HIS 202 CO 0.09 -0.73 1.99 -0.22 -2.47 0.00 0.00 174.74 173.40 3i2c h LYS 203 N 2.49 0.85 0.00 2.88 3.64 -1.93 -2.89 116.57 121.61 3i2c h LYS 203 Ca -0.32 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.01 3i2c h LYS 203 Cb 1.23 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.86 3i2c h LYS 203 CO 0.47 0.56 0.00 0.25 -2.27 0.00 0.00 179.45 178.46 3i2c n THR 204 N -4.45 0.64 -3.80 1.00 -2.24 -1.26 -4.75 114.28 99.42 3i2c n THR 204 Ca 0.08 0.16 -0.13 0.00 -2.27 0.00 0.00 64.05 61.89 3i2c n THR 204 Cb 0.09 -0.89 -0.12 0.00 -2.10 0.00 0.00 70.33 67.31 3i2c n THR 204 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3i2c s SER 205 N -2.70 -0.21 0.09 3.42 0.15 -1.09 -5.00 113.70 108.35 3i2c s SER 205 Ca 0.13 0.41 -0.03 0.00 0.70 0.00 0.00 55.95 57.16 3i2c s SER 205 Cb 0.11 0.42 -0.26 0.00 -1.71 0.00 0.00 66.02 64.58 3i2c s SER 205 CO 0.26 -0.08 1.17 0.71 1.20 0.00 0.00 173.24 176.51 3i2c h THR 206 N 4.81 1.51 -3.03 6.45 1.35 -1.85 -3.41 112.91 118.74 3i2c h THR 206 Ca -0.25 -3.05 -0.64 0.00 -0.55 0.00 0.00 66.41 61.92 3i2c h THR 206 Cb 1.20 2.89 -0.07 0.00 -1.73 0.00 0.00 68.15 70.44 3i2c h THR 206 CO 0.38 0.89 -0.55 -0.94 -0.25 0.00 0.00 175.52 175.05 3i2c s SER 207 N -7.10 5.92 0.18 5.36 1.04 -1.26 -5.05 113.70 112.79 3i2c s SER 207 Ca -0.04 0.15 -0.31 0.00 0.48 0.00 0.00 55.95 56.24 3i2c s SER 207 Cb 0.07 -1.73 -0.10 0.00 0.10 0.00 0.00 66.02 64.37 3i2c s SER 207 CO 0.88 0.20 1.54 -2.16 0.98 0.00 0.00 173.24 174.68 3i2c s PRO 208 N -2.24 4.23 -0.05 4.02 0.04 -1.26 -4.88 135.00 134.86 3i2c s PRO 208 Ca 0.29 2.34 -0.30 0.00 0.04 0.00 0.00 61.00 63.38 3i2c s PRO 208 Cb -0.12 -3.15 -0.05 0.00 0.04 0.00 0.00 34.50 31.22 3i2c s PRO 208 CO 0.22 -0.56 1.48 0.42 0.04 0.00 0.00 177.00 178.59 3i2c s ILE 209 N 0.90 3.75 -0.13 0.56 1.01 -0.52 -4.81 121.20 121.95 3i2c s ILE 209 Ca 0.68 1.01 0.01 0.00 0.00 0.00 0.00 60.65 62.35 3i2c s ILE 209 Cb -0.43 -3.65 -0.00 0.00 0.01 0.00 0.00 42.46 38.38 3i2c s ILE 209 CO 0.34 -0.05 -0.18 -0.69 0.00 0.00 0.00 174.94 174.35 3i2c s VAL 210 N 3.25 2.49 -0.00 2.92 1.01 -1.26 -0.90 120.40 127.90 3i2c s VAL 210 Ca 0.66 -0.84 0.08 0.00 0.00 0.00 0.00 61.98 61.88 3i2c s VAL 210 Cb -0.30 -2.02 -0.02 0.00 0.00 0.00 0.00 36.38 34.03 3i2c s VAL 210 CO 0.25 0.53 -0.26 -0.54 0.00 0.00 0.00 175.10 175.09 3i2c s LYS 211 N 0.61 2.04 0.07 2.72 -0.14 -1.00 -5.01 119.74 119.03 3i2c s LYS 211 Ca -0.10 -0.97 -0.02 0.00 -1.36 0.00 0.00 55.97 53.52 3i2c s LYS 211 Cb -0.16 -2.04 -0.04 0.00 -1.68 0.00 0.00 37.83 33.92 3i2c s LYS 211 CO 0.03 0.55 0.01 0.45 -0.76 0.00 0.00 175.35 175.63 3i2c s SER 212 N -0.79 0.41 -0.08 2.83 0.15 -1.26 -0.53 113.70 114.44 3i2c s SER 212 Ca 0.11 -1.00 -0.07 0.00 0.70 0.00 0.00 55.95 55.69 3i2c s SER 212 Cb -0.10 0.24 0.02 0.00 -1.71 0.00 0.00 66.02 64.47 3i2c s SER 212 CO -0.00 -0.64 0.20 0.72 1.20 0.00 0.00 173.24 174.72 3i2c s PHE 213 N -3.94 -0.23 0.11 3.44 -0.71 -0.61 -4.98 117.98 111.06 3i2c s PHE 213 Ca 0.10 0.56 -0.20 0.00 -1.04 0.00 0.00 56.93 56.35 3i2c s PHE 213 Cb 0.08 0.06 -0.07 0.00 -1.21 0.00 0.00 43.02 41.88 3i2c s PHE 213 CO -0.08 -0.12 0.62 1.21 -1.34 0.00 0.00 175.22 175.51 3i2c s ASN 214 N 0.29 7.12 0.40 1.98 2.47 -1.26 -1.87 114.94 124.06 3i2c s ASN 214 Ca -0.02 1.34 0.28 0.00 0.42 0.00 0.00 52.86 54.89 3i2c s ASN 214 Cb -0.03 -2.39 1.38 0.00 -1.45 0.00 0.00 41.25 38.76 3i2c s ASN 214 CO -0.01 0.23 1.86 -0.09 -3.72 0.00 0.00 177.10 175.36 3i2c h ARG 215 N 4.32 0.00 -0.46 0.43 2.43 -1.61 -3.19 114.38 116.29 3i2c h ARG 215 Ca -0.49 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 3i2c h ARG 215 Cb 1.21 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.76 3i2c h ARG 215 CO 0.64 0.00 0.00 0.09 -1.51 0.00 0.00 179.97 179.19 3i2c n ASN 216 N -2.53 1.03 -3.82 -3.80 5.03 -1.26 -4.49 115.26 105.42 3i2c n ASN 216 Ca -0.00 -2.06 -0.29 0.00 0.87 0.00 0.00 54.58 53.10 3i2c n ASN 216 Cb 0.14 -0.26 -0.13 0.00 -1.02 0.00 0.00 39.78 38.51 3i2c n ASN 216 CO 0.00 0.00 0.00 -1.83 -1.83 0.00 0.00 177.26 173.60 3i2c s GLU 217 N -1.60 1.79 0.00 3.52 1.03 -1.21 -5.31 118.70 116.92 3i2c s GLU 217 Ca 0.07 -2.55 0.20 0.00 0.03 0.00 0.00 54.97 52.72 3i2c s GLU 217 Cb 0.05 -2.89 1.21 0.00 -0.80 0.00 0.00 34.13 31.70 3i2c s GLU 217 CO 0.04 -1.19 1.60 0.00 -1.33 0.00 0.00 175.26 174.38