#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ias s THR 27 N 0.00 4.33 -0.12 1.12 2.01 -1.26 -0.76 115.64 120.95 3ias s THR 27 Ca 0.00 0.20 -0.15 0.00 0.31 0.00 0.00 61.69 62.06 3ias s THR 27 Cb 0.00 -4.59 -0.05 0.00 0.01 0.00 0.00 72.50 67.87 3ias s THR 27 CO 0.00 -1.22 0.35 -0.22 -0.69 0.00 0.00 174.62 172.84 3ias s LEU 28 N 4.10 4.29 -1.06 4.42 2.96 -0.98 -4.97 118.68 127.45 3ias s LEU 28 Ca 0.30 0.65 -0.06 0.00 -0.22 0.00 0.00 54.13 54.80 3ias s LEU 28 Cb -0.13 -2.48 0.27 0.00 0.50 0.00 0.00 46.19 44.36 3ias s LEU 28 CO 0.18 0.12 1.12 -3.20 -1.32 0.00 0.00 176.35 173.24 3ias n ASN 29 N 3.28 5.40 -4.62 3.68 5.15 -1.26 -2.20 115.26 124.69 3ias n ASN 29 Ca -0.11 -3.14 -0.41 0.00 -0.60 0.00 0.00 54.58 50.32 3ias n ASN 29 Cb 0.52 -1.27 -0.06 0.00 -0.53 0.00 0.00 39.78 38.43 3ias n ASN 29 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3ias s VAL 30 N -1.65 4.98 -0.27 3.44 1.01 -1.01 -4.95 120.40 121.95 3ias s VAL 30 Ca 0.31 1.11 -0.04 0.00 0.00 0.00 0.00 61.98 63.36 3ias s VAL 30 Cb -0.06 -3.94 0.15 0.00 0.00 0.00 0.00 36.38 32.54 3ias s VAL 30 CO -0.05 0.02 0.51 -0.83 0.00 0.00 0.00 175.10 174.74 3ias s GLY 31 N 1.48 -0.67 0.00 4.51 0.00 -1.26 -0.71 107.32 110.66 3ias s GLY 31 Ca 0.26 1.55 0.00 0.00 0.00 0.00 0.00 44.72 46.53 3ias s GLY 31 CO 0.09 2.95 0.01 0.61 0.00 0.00 0.00 173.10 176.76 3ias n GLY 39 N 5.40 -0.11 2.43 0.20 0.00 -1.26 -4.81 105.19 107.05 3ias n GLY 39 Ca -0.04 0.02 -0.25 0.00 0.00 0.00 0.00 46.02 45.75 3ias n GLY 39 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3ias n VAL 40 N -0.07 2.26 -5.11 1.61 3.14 -1.26 -5.03 118.33 113.87 3ias n VAL 40 Ca 0.00 -4.65 -0.31 0.00 -2.96 0.00 0.00 64.34 56.42 3ias n VAL 40 Cb 0.00 -1.05 -0.17 0.00 -1.06 0.00 0.00 33.84 31.56 3ias n VAL 40 CO 0.00 0.00 0.00 -0.22 -6.46 0.00 0.00 176.83 170.15 3ias s LEU 41 N -3.52 2.01 -0.16 6.55 2.96 -1.26 -4.64 118.68 120.62 3ias s LEU 41 Ca 0.46 -0.51 -0.06 0.00 -0.22 0.00 0.00 54.13 53.80 3ias s LEU 41 Cb 0.41 -1.31 -0.04 0.00 0.50 0.00 0.00 46.19 45.75 3ias s LEU 41 CO -0.14 0.14 0.05 -0.60 -1.32 0.00 0.00 176.35 174.49 3ias s ARG 42 N 0.38 3.78 -0.09 1.98 3.52 -1.11 -4.53 118.95 122.89 3ias s ARG 42 Ca -0.18 -0.34 0.04 0.00 -0.13 0.00 0.00 55.73 55.12 3ias s ARG 42 Cb -0.18 -3.14 0.00 0.00 -1.56 0.00 0.00 34.95 30.08 3ias s ARG 42 CO 0.08 0.37 -0.22 -0.51 -0.81 0.00 0.00 175.30 174.21 3ias s LEU 43 N 0.08 2.01 -0.84 -0.88 1.43 0.11 -0.01 118.68 120.58 3ias s LEU 43 Ca 0.05 -0.51 -0.15 0.00 -1.03 0.00 0.00 54.13 52.49 3ias s LEU 43 Cb -0.12 -1.30 0.20 0.00 0.03 0.00 0.00 46.19 44.99 3ias s LEU 43 CO 0.01 0.15 0.84 -0.04 0.23 0.00 0.00 176.35 177.53 3ias s MET 44 N 0.34 3.58 -0.92 1.70 -1.94 -0.31 -2.41 119.30 119.35 3ias s MET 44 Ca -0.16 -2.27 -0.20 0.00 -1.71 0.00 0.00 55.69 51.34 3ias s MET 44 Cb -0.17 -4.53 0.11 0.00 2.01 0.00 0.00 34.83 32.25 3ias s MET 44 CO 0.07 -1.40 1.17 0.08 -0.01 0.00 0.00 175.02 174.93 3ias s VAL 45 N 0.79 4.53 0.12 -6.03 1.01 -0.93 -1.94 120.40 117.95 3ias s VAL 45 Ca 0.21 -1.28 -0.31 0.00 0.00 0.00 0.00 61.98 60.59 3ias s VAL 45 Cb -0.10 -4.82 -0.10 0.00 0.00 0.00 0.00 36.38 31.36 3ias s VAL 45 CO -0.08 -1.58 1.76 -0.89 0.00 0.00 0.00 175.10 174.30 3ias s THR 46 N 3.27 2.60 -0.35 3.92 2.01 -1.03 -2.31 115.64 123.75 3ias s THR 46 Ca 0.34 0.17 -0.00 0.00 0.31 0.00 0.00 61.69 62.51 3ias s THR 46 Cb -0.05 -3.11 0.19 0.00 0.01 0.00 0.00 72.50 69.53 3ias s THR 46 CO -0.07 0.00 0.81 -0.22 -0.69 0.00 0.00 174.62 174.44 3ias s LEU 47 N 2.44 -1.04 -0.26 4.42 2.96 0.06 -2.50 118.68 124.76 3ias s LEU 47 Ca 0.78 -0.30 -0.10 0.00 -0.22 0.00 0.00 54.13 54.29 3ias s LEU 47 Cb -0.45 1.43 -0.04 0.00 0.50 0.00 0.00 46.19 47.63 3ias s LEU 47 CO 0.35 -0.14 0.14 -0.55 -1.32 0.00 0.00 176.35 174.83 3ias s SER 48 N 2.23 5.71 0.00 3.68 0.15 -1.25 -3.68 113.70 120.54 3ias s SER 48 Ca 0.16 -0.06 0.00 0.00 0.70 0.00 0.00 55.95 56.75 3ias s SER 48 Cb -0.03 -2.04 0.00 0.00 -1.71 0.00 0.00 66.02 62.24 3ias s SER 48 CO -0.15 -0.03 0.00 0.61 1.20 0.00 0.00 173.24 174.87 3ias n GLY 49 N 4.88 -0.61 0.02 9.45 0.00 -1.26 -4.68 105.19 112.98 3ias n GLY 49 Ca -0.15 -2.16 0.02 0.00 0.00 0.00 0.00 46.02 43.73 3ias n GLY 49 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3ias n GLU 50 N 0.00 2.59 0.00 1.61 4.07 -1.26 -4.99 120.64 122.66 3ias n GLU 50 Ca 0.00 -1.67 0.00 0.00 -0.06 0.00 0.00 57.16 55.43 3ias n GLU 50 Cb 0.00 -1.08 0.00 0.00 -0.06 0.00 0.00 31.44 30.30 3ias n GLU 50 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 3ias n GLU 51 N -0.66 3.49 -3.28 5.31 1.02 -1.26 -4.19 120.64 121.07 3ias n GLU 51 Ca 0.03 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 57.12 3ias n GLU 51 Cb 0.33 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.70 3ias n GLU 51 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3ias s VAL 52 N 1.08 -0.74 0.00 2.62 1.01 -1.17 -4.56 120.40 118.64 3ias s VAL 52 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 61.98 61.93 3ias s VAL 52 Cb 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 36.38 35.50 3ias s VAL 52 CO 0.00 -0.08 0.00 0.18 0.00 0.00 0.00 175.10 175.20 3ias n LEU 53 N 5.39 0.00 -4.08 3.92 7.99 -1.04 0.12 117.00 129.29 3ias n LEU 53 Ca -0.03 0.00 -0.22 0.00 -0.01 0.00 0.00 56.01 55.75 3ias n LEU 53 Cb 0.50 0.00 -0.15 0.00 -0.11 0.00 0.00 43.42 43.66 3ias n LEU 53 CO 0.05 0.00 -0.47 -1.83 -1.51 0.00 0.00 177.39 173.63 3ias s GLU 54 N 0.00 1.18 -0.37 3.23 -1.05 -1.25 -4.32 118.70 116.12 3ias s GLU 54 Ca 0.00 -0.46 -0.13 0.00 -0.15 0.00 0.00 54.97 54.23 3ias s GLU 54 Cb 0.00 -1.10 0.01 0.00 -0.44 0.00 0.00 34.13 32.60 3ias s GLU 54 CO 0.00 0.24 0.24 0.08 0.95 0.00 0.00 175.26 176.77 3ias s VAL 55 N -0.13 5.00 -0.47 1.83 1.01 -1.26 -2.47 120.40 123.90 3ias s VAL 55 Ca 0.02 -0.59 -0.10 0.00 0.00 0.00 0.00 61.98 61.31 3ias s VAL 55 Cb -0.07 -3.71 0.11 0.00 0.00 0.00 0.00 36.38 32.71 3ias s VAL 55 CO 0.00 -0.18 0.35 -0.69 0.00 0.00 0.00 175.10 174.59 3ias s VAL 56 N 1.65 4.36 0.44 2.92 1.01 -0.82 -4.37 120.40 125.59 3ias s VAL 56 Ca 0.04 -1.68 -0.22 0.00 0.00 0.00 0.00 61.98 60.13 3ias s VAL 56 Cb -0.18 -3.82 -0.09 0.00 0.00 0.00 0.00 36.38 32.28 3ias s VAL 56 CO 0.09 -0.74 1.03 -2.16 0.00 0.00 0.00 175.10 173.31 3ias s PRO 57 N 1.41 4.02 -0.24 2.72 0.04 -1.26 -1.16 135.00 140.53 3ias s PRO 57 Ca 0.05 1.38 -0.02 0.00 0.04 0.00 0.00 61.00 62.46 3ias s PRO 57 Cb -0.26 -2.30 0.07 0.00 0.04 0.00 0.00 34.50 32.05 3ias s PRO 57 CO 0.00 -0.24 0.05 -1.01 0.04 0.00 0.00 177.00 175.84 3ias s HIS 58 N -1.87 1.40 0.55 0.56 3.76 0.99 -4.93 115.29 115.74 3ias s HIS 58 Ca 0.62 -1.26 0.07 0.00 -0.15 0.00 0.00 55.06 54.34 3ias s HIS 58 Cb -0.18 -1.32 0.05 0.00 1.11 0.00 0.00 32.58 32.25 3ias s HIS 58 CO 0.22 -0.73 0.52 0.96 -0.85 0.00 0.00 174.74 174.87 3ias s ILE 59 N 1.73 1.81 0.00 0.60 -0.00 -1.26 -2.76 121.20 121.32 3ias s ILE 59 Ca 0.02 -1.34 0.00 0.00 -0.00 0.00 0.00 60.65 59.34 3ias s ILE 59 Cb -0.17 -2.15 0.00 0.00 -0.00 0.00 0.00 42.46 40.14 3ias s ILE 59 CO -0.15 0.00 0.00 0.61 -0.00 0.00 0.00 174.94 175.40 3ias n GLY 60 N -1.91 0.32 0.12 6.27 0.00 -1.26 -5.01 105.19 103.71 3ias n GLY 60 Ca 0.04 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.18 3ias n GLY 60 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3ias h TYR 61 N 0.00 0.00 -0.16 1.61 0.05 -1.89 -3.19 116.97 113.39 3ias h TYR 61 Ca 0.00 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.71 3ias h TYR 61 Cb 0.00 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 37.70 3ias h TYR 61 CO 0.00 0.00 -0.26 1.28 -1.05 0.00 0.00 178.16 178.13 3ias n LEU 62 N -2.55 3.32 -4.56 3.88 4.77 -1.26 -4.99 117.00 115.61 3ias n LEU 62 Ca 0.02 -3.74 -0.40 0.00 -0.03 0.00 0.00 56.01 51.86 3ias n LEU 62 Cb 0.50 -0.57 -0.03 0.00 -2.33 0.00 0.00 43.42 41.00 3ias n LEU 62 CO 0.37 1.25 1.54 -2.28 -1.33 0.00 0.00 177.39 176.94 3ias s HIS 63 N -3.19 1.78 -0.19 -1.77 2.46 -1.21 -3.82 115.29 109.35 3ias s HIS 63 Ca 0.40 0.71 0.22 0.00 0.47 0.00 0.00 55.06 56.86 3ias s HIS 63 Cb 0.38 -4.14 -0.14 0.00 -0.13 0.00 0.00 32.58 28.54 3ias s HIS 63 CO -0.03 -2.37 0.80 2.41 -2.47 0.00 0.00 174.74 173.08 3ias n THR 64 N 7.19 0.32 -0.34 0.89 -1.04 -1.26 -5.00 114.28 115.03 3ias n THR 64 Ca 0.19 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.71 3ias n THR 64 Cb 0.51 -0.14 0.00 0.00 -1.82 0.00 0.00 70.33 68.88 3ias n THR 64 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3ias n GLY 65 N 1.23 0.79 0.36 3.41 0.00 -1.20 -4.99 105.19 104.80 3ias n GLY 65 Ca -0.02 -0.33 -0.03 0.00 0.00 0.00 0.00 46.02 45.65 3ias n GLY 65 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3ias h PHE 66 N 0.00 -0.95 -0.62 1.61 -1.00 -1.92 0.13 116.94 114.18 3ias h PHE 66 Ca 0.00 0.09 0.18 0.00 2.81 0.00 0.00 57.97 61.05 3ias h PHE 66 Cb 0.00 0.53 -0.02 0.00 3.61 0.00 0.00 35.95 40.07 3ias h PHE 66 CO 0.00 -0.39 0.56 0.93 -1.61 0.00 0.00 178.31 177.80 3ias h GLU 67 N -0.08 0.00 0.08 1.51 5.08 -1.82 -1.20 114.58 118.15 3ias h GLU 67 Ca 0.30 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.34 3ias h GLU 67 Cb 0.58 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.81 3ias h GLU 67 CO -0.83 0.00 -1.72 -0.22 -1.00 0.00 0.00 179.01 175.23 3ias h LYS 68 N 0.00 0.17 0.00 2.33 1.63 -1.05 -3.39 116.57 116.27 3ias h LYS 68 Ca 0.30 -0.30 -0.16 0.00 -0.85 0.00 0.00 60.65 59.64 3ias h LYS 68 Cb 1.41 0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 33.13 3ias h LYS 68 CO -0.00 1.14 -0.76 1.79 -3.45 0.00 0.00 179.45 178.17 3ias h THR 69 N -0.32 1.46 0.00 1.00 1.35 -1.12 -2.46 112.91 112.82 3ias h THR 69 Ca -0.40 -2.69 -0.00 0.00 -0.55 0.00 0.00 66.41 62.78 3ias h THR 69 Cb 1.77 2.48 -0.00 0.00 -1.73 0.00 0.00 68.15 70.67 3ias h THR 69 CO -0.02 0.75 -0.00 0.24 -0.25 0.00 0.00 175.52 176.24 3ias h MET 70 N 0.00 0.00 0.00 4.72 2.86 -1.45 0.31 114.93 121.37 3ias h MET 70 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3ias h MET 70 Cb 1.42 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.08 3ias h MET 70 CO 0.10 0.00 0.00 0.39 1.06 0.00 0.00 176.91 178.46 3ias n GLU 71 N -3.21 0.71 -2.61 1.72 1.02 -0.93 -3.11 120.64 114.24 3ias n GLU 71 Ca -0.03 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 56.98 3ias n GLU 71 Cb 0.08 -1.45 0.03 0.00 -0.02 0.00 0.00 31.44 30.07 3ias n GLU 71 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3ias n HIS 72 N -0.95 1.75 -3.64 -0.32 8.25 0.11 -4.75 115.22 115.66 3ias n HIS 72 Ca 0.16 -2.77 -0.10 0.00 -0.26 0.00 0.00 57.72 54.75 3ias n HIS 72 Cb 0.07 -0.29 -0.05 0.00 1.12 0.00 0.00 29.99 30.84 3ias n HIS 72 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3ias s ARG 73 N -3.32 1.05 0.77 -0.41 3.00 -1.18 -5.05 118.95 113.82 3ias s ARG 73 Ca 0.33 -0.70 -0.12 0.00 0.00 0.00 0.00 55.73 55.24 3ias s ARG 73 Cb 0.43 0.46 0.06 0.00 0.00 0.00 0.00 34.95 35.90 3ias s ARG 73 CO -0.02 -0.41 1.13 0.99 0.00 0.00 0.00 175.30 176.99 3ias s THR 74 N -3.74 2.85 0.45 0.02 2.01 -1.26 -4.29 115.64 111.68 3ias s THR 74 Ca 0.03 0.33 0.20 0.00 0.31 0.00 0.00 61.69 62.55 3ias s THR 74 Cb 0.02 -2.73 0.23 0.00 0.01 0.00 0.00 72.50 70.03 3ias s THR 74 CO -0.12 -0.31 2.04 1.88 -0.69 0.00 0.00 174.62 177.42 3ias h TYR 75 N -0.89 0.00 0.05 4.92 -1.99 -1.90 -0.52 116.97 116.63 3ias h TYR 75 Ca -0.45 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.28 3ias h TYR 75 Cb 1.25 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.98 3ias h TYR 75 CO 0.54 0.15 -0.03 1.25 -0.00 0.00 0.00 178.16 180.07 3ias h LEU 76 N 0.00 -0.06 -1.55 3.88 5.85 -1.90 -3.24 115.31 118.28 3ias h LEU 76 Ca -0.00 -0.48 0.19 0.00 0.84 0.00 0.00 57.88 58.43 3ias h LEU 76 Cb 0.30 0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.29 3ias h LEU 76 CO 0.02 0.47 0.58 1.56 -0.34 0.00 0.00 178.44 180.73 3ias h GLN 77 N -0.61 0.37 0.00 1.25 4.20 -1.77 -1.55 115.11 117.01 3ias h GLN 77 Ca -0.01 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.66 3ias h GLN 77 Cb 0.54 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.23 3ias h GLN 77 CO 0.01 0.25 -0.10 -0.91 -0.67 0.00 0.00 178.83 177.41 3ias h ASN 78 N 0.39 0.00 0.18 1.46 2.35 -1.14 -2.28 115.58 116.54 3ias h ASN 78 Ca 0.44 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.19 3ias h ASN 78 Cb 1.12 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.49 3ias h ASN 78 CO -0.15 0.10 0.00 -0.38 -1.65 0.00 0.00 177.43 175.35 3ias n ILE 79 N -3.78 1.23 0.39 2.81 5.41 -0.58 -0.19 119.36 124.65 3ias n ILE 79 Ca -0.02 0.55 0.12 0.00 1.00 0.00 0.00 62.75 64.39 3ias n ILE 79 Cb 0.20 -1.52 0.07 0.00 -0.71 0.00 0.00 39.64 37.68 3ias n ILE 79 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 3ias n THR 80 N -2.01 0.39 0.13 1.39 -2.24 -0.86 -3.98 114.28 107.10 3ias n THR 80 Ca -0.00 -0.37 0.10 0.00 -2.27 0.00 0.00 64.05 61.51 3ias n THR 80 Cb 0.07 -0.12 0.03 0.00 -2.10 0.00 0.00 70.33 68.22 3ias n THR 80 CO 0.00 0.00 0.00 1.88 -0.57 0.00 0.00 175.07 176.38 3ias h TYR 81 N 0.00 0.00 -0.06 4.78 -1.99 -0.69 -3.40 116.97 115.61 3ias h TYR 81 Ca 0.00 0.00 -0.22 0.00 2.00 0.00 0.00 58.73 60.51 3ias h TYR 81 Cb 0.84 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.57 3ias h TYR 81 CO 0.00 0.08 -0.84 1.79 -0.00 0.00 0.00 178.16 179.18 3ias h THR 82 N 0.00 1.35 0.00 -2.88 1.35 -1.60 -3.10 112.91 108.03 3ias h THR 82 Ca -0.02 -2.20 0.00 0.00 -0.55 0.00 0.00 66.41 63.64 3ias h THR 82 Cb 1.07 2.20 0.00 0.00 -1.73 0.00 0.00 68.15 69.69 3ias h THR 82 CO 0.01 0.67 0.00 -0.81 -0.25 0.00 0.00 175.52 175.14 3ias n PRO 83 N -3.84 0.33 -0.42 4.72 -0.04 -1.26 -3.39 135.00 131.10 3ias n PRO 83 Ca -0.07 0.04 0.04 0.00 -0.04 0.00 0.00 63.50 63.48 3ias n PRO 83 Cb 0.78 -1.50 0.21 0.00 -0.04 0.00 0.00 33.50 32.94 3ias n PRO 83 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3ias n ARG 84 N -1.31 2.83 -0.02 0.54 3.00 -1.17 -3.90 116.66 116.63 3ias n ARG 84 Ca 0.12 -1.62 -0.03 0.00 -0.01 0.00 0.00 57.85 56.31 3ias n ARG 84 Cb 0.22 -1.78 -0.01 0.00 0.00 0.00 0.00 32.46 30.88 3ias n ARG 84 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.63 176.30 3ias n MET 85 N 0.40 0.19 -3.12 5.56 2.81 -1.22 -4.73 117.12 117.00 3ias n MET 85 Ca 0.14 0.08 -0.44 0.00 -1.81 0.00 0.00 57.70 55.67 3ias n MET 85 Cb 0.67 -0.75 0.00 0.00 -0.71 0.00 0.00 33.22 32.42 3ias n MET 85 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 3ias n ASP 86 N -3.40 5.42 0.00 7.83 -0.08 -1.26 -2.49 116.55 122.56 3ias n ASP 86 Ca -0.05 -3.03 0.02 0.00 -1.51 0.00 0.00 54.79 50.22 3ias n ASP 86 Cb 0.19 -1.46 0.09 0.00 2.34 0.00 0.00 41.12 42.27 3ias n ASP 86 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3ias n TYR 87 N 3.93 0.00 -0.08 -0.67 0.18 -1.25 -1.24 117.16 118.03 3ias n TYR 87 Ca 0.30 0.00 -0.07 0.00 1.88 0.00 0.00 57.90 60.01 3ias n TYR 87 Cb 0.40 -0.24 -0.03 0.00 -0.38 0.00 0.00 39.34 39.09 3ias n TYR 87 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 3ias n LEU 88 N -1.24 1.85 -3.03 -3.48 4.77 -1.26 -4.48 117.00 110.13 3ias n LEU 88 Ca 0.02 0.53 -0.37 0.00 -0.03 0.00 0.00 56.01 56.17 3ias n LEU 88 Cb 0.02 -0.84 0.02 0.00 -2.33 0.00 0.00 43.42 40.30 3ias n LEU 88 CO 0.03 -0.36 1.12 1.57 -1.33 0.00 0.00 177.39 178.42 3ias n HIS 89 N -4.56 3.12 -0.32 -1.77 -0.00 -1.15 -4.16 115.22 106.38 3ias n HIS 89 Ca -0.11 -2.71 -0.03 0.00 0.46 0.00 0.00 57.72 55.33 3ias n HIS 89 Cb 0.37 -0.92 0.09 0.00 -0.12 0.00 0.00 29.99 29.42 3ias n HIS 89 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 3ias h SER 90 N 3.24 0.96 -0.67 0.26 4.64 -1.40 -2.67 113.55 117.92 3ias h SER 90 Ca 0.47 -0.02 0.19 0.00 -0.47 0.00 0.00 61.79 61.96 3ias h SER 90 Cb 0.31 -0.23 -0.03 0.00 -0.31 0.00 0.00 62.40 62.14 3ias h SER 90 CO 1.20 0.69 0.51 0.15 -0.87 0.00 0.00 176.83 178.50 3ias h PHE 91 N 1.13 0.00 -0.30 4.77 3.57 -1.87 0.79 116.94 125.03 3ias h PHE 91 Ca 0.32 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.76 3ias h PHE 91 Cb -0.09 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.64 3ias h PHE 91 CO -0.01 0.00 -0.08 0.00 -2.23 0.00 0.00 178.31 175.98 3ias h ALA 92 N 1.60 1.30 -0.16 2.41 0.00 -1.78 -0.56 119.26 122.08 3ias h ALA 92 Ca 0.32 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 3ias h ALA 92 Cb 1.33 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 3ias h ALA 92 CO -0.00 0.47 -0.03 0.45 0.00 0.00 0.00 179.25 180.13 3ias h HIS 93 N 0.46 0.35 0.16 0.00 3.86 0.44 -1.75 115.15 118.67 3ias h HIS 93 Ca 0.09 -0.07 0.01 0.00 -1.16 0.00 0.00 60.37 59.24 3ias h HIS 93 Cb 0.43 -0.08 -0.04 0.00 1.06 0.00 0.00 27.41 28.77 3ias h HIS 93 CO 0.01 0.58 -0.45 -0.44 0.86 0.00 0.00 177.93 178.49 3ias h ASP 94 N 0.02 -1.31 -0.46 2.45 5.19 -1.00 -1.88 116.42 119.42 3ias h ASP 94 Ca 0.04 0.14 0.04 0.00 -0.62 0.00 0.00 57.03 56.63 3ias h ASP 94 Cb 0.46 0.48 -0.03 0.00 0.18 0.00 0.00 39.33 40.43 3ias h ASP 94 CO 0.02 -0.52 0.31 0.25 -3.12 0.00 0.00 179.24 176.17 3ias h LEU 95 N -0.71 0.40 -0.80 1.55 5.85 -1.16 0.13 115.31 120.56 3ias h LEU 95 Ca 0.01 -0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.61 3ias h LEU 95 Cb 0.72 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.64 3ias h LEU 95 CO -0.23 0.27 -0.38 0.00 -0.34 0.00 0.00 178.44 177.75 3ias h ALA 96 N 1.74 0.98 0.18 1.25 0.00 -0.55 -0.30 119.26 122.56 3ias h ALA 96 Ca 0.19 -0.42 -0.35 0.00 0.00 0.00 0.00 54.91 54.34 3ias h ALA 96 Cb 0.19 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.89 3ias h ALA 96 CO -0.05 0.61 -1.74 -0.92 0.00 0.00 0.00 179.25 177.16 3ias h TYR 97 N 0.37 0.71 0.04 0.00 3.20 -0.97 -3.20 116.97 117.11 3ias h TYR 97 Ca 0.04 -0.52 0.02 0.00 3.14 0.00 0.00 58.73 61.41 3ias h TYR 97 Cb 0.84 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 39.06 3ias h TYR 97 CO 0.03 1.68 -0.13 0.00 -1.64 0.00 0.00 178.16 178.09 3ias h ALA 98 N 0.10 -0.19 -0.82 1.82 0.00 -0.62 -2.05 119.26 117.51 3ias h ALA 98 Ca -0.34 -0.01 0.13 0.00 0.00 0.00 0.00 54.91 54.69 3ias h ALA 98 Cb 2.08 0.22 -0.06 0.00 0.00 0.00 0.00 17.79 20.03 3ias h ALA 98 CO 0.17 -0.64 0.53 -0.07 0.00 0.00 0.00 179.25 179.25 3ias h LEU 99 N -0.25 0.56 -0.57 0.00 -0.00 -1.19 0.14 115.31 114.00 3ias h LEU 99 Ca 0.03 0.03 -0.16 0.00 -0.00 0.00 0.00 57.88 57.79 3ias h LEU 99 Cb 0.28 -0.08 -0.01 0.00 -0.00 0.00 0.00 40.66 40.85 3ias h LEU 99 CO -0.10 0.29 -0.59 0.00 -0.00 0.00 0.00 178.44 178.04 3ias h ALA 100 N 1.62 0.76 0.16 1.53 0.00 -1.38 -2.51 119.26 119.43 3ias h ALA 100 Ca 0.40 -0.53 -0.25 0.00 0.00 0.00 0.00 54.91 54.53 3ias h ALA 100 Cb 0.71 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 18.44 3ias h ALA 100 CO -0.16 0.71 -1.14 0.28 0.00 0.00 0.00 179.25 178.94 3ias h VAL 101 N 0.30 1.32 -0.42 0.00 2.07 -0.78 -2.87 116.25 115.86 3ias h VAL 101 Ca -0.00 -2.53 0.09 0.00 0.82 0.00 0.00 66.70 65.07 3ias h VAL 101 Cb 1.12 3.03 -0.09 0.00 -1.52 0.00 0.00 31.29 33.82 3ias h VAL 101 CO 0.10 0.74 -0.27 -0.33 0.02 0.00 0.00 177.57 177.83 3ias h GLU 102 N -0.24 -0.18 -0.32 1.57 5.08 -0.76 -1.32 114.58 118.41 3ias h GLU 102 Ca -0.22 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.15 3ias h GLU 102 Cb 1.79 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 31.07 3ias h GLU 102 CO 0.15 -0.12 0.17 0.87 -1.00 0.00 0.00 179.01 179.08 3ias h LYS 103 N -0.19 0.44 -0.17 2.33 1.57 -1.56 0.44 116.57 119.43 3ias h LYS 103 Ca 0.19 -0.06 0.05 0.00 -1.87 0.00 0.00 60.65 58.97 3ias h LYS 103 Cb 0.50 -0.09 -0.06 0.00 0.08 0.00 0.00 32.23 32.67 3ias h LYS 103 CO -0.53 0.39 -0.20 1.25 -0.57 0.00 0.00 179.45 179.79 3ias h LEU 104 N 0.39 -0.62 -2.15 2.94 6.46 -1.09 -0.17 115.31 121.06 3ias h LEU 104 Ca 0.11 0.11 0.00 0.00 -0.12 0.00 0.00 57.88 57.98 3ias h LEU 104 Cb 0.07 0.29 0.00 0.00 -0.73 0.00 0.00 40.66 40.29 3ias h LEU 104 CO -0.02 -0.24 0.00 0.00 -0.62 0.00 0.00 178.44 177.56 3ias n LEU 105 N -5.34 3.16 -2.89 2.25 -0.00 -0.58 -4.59 117.00 109.01 3ias n LEU 105 Ca -0.02 -1.50 -0.10 0.00 -0.00 0.00 0.00 56.01 54.39 3ias n LEU 105 Cb 0.25 -0.34 0.01 0.00 -0.00 0.00 0.00 43.42 43.35 3ias n LEU 105 CO 0.19 0.75 -0.05 0.61 -0.00 0.00 0.00 177.39 178.89 3ias n GLY 106 N 1.45 -1.54 3.45 1.47 0.00 0.14 -4.99 105.19 105.17 3ias n GLY 106 Ca 0.20 1.15 -0.22 0.00 0.00 0.00 0.00 46.02 47.15 3ias n GLY 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ias s ALA 107 N -2.38 2.51 -0.17 4.61 0.00 -0.16 -5.00 121.76 121.17 3ias s ALA 107 Ca 0.23 -1.90 0.01 0.00 0.00 0.00 0.00 51.96 50.29 3ias s ALA 107 Cb -0.06 0.00 0.02 0.00 0.00 0.00 0.00 23.12 23.08 3ias s ALA 107 CO 0.77 0.05 -0.19 0.14 0.00 0.00 0.00 175.76 176.54 3ias s VAL 108 N -2.82 1.95 -0.04 0.00 -7.23 -1.26 -4.75 120.40 106.24 3ias s VAL 108 Ca 0.29 -0.87 -0.29 0.00 -1.81 0.00 0.00 61.98 59.30 3ias s VAL 108 Cb 0.01 -1.77 -0.02 0.00 0.56 0.00 0.00 36.38 35.15 3ias s VAL 108 CO 0.13 0.52 0.96 -0.69 -0.31 0.00 0.00 175.10 175.71 3ias s VAL 109 N 1.33 4.86 1.21 1.32 1.01 -1.26 -4.08 120.40 124.78 3ias s VAL 109 Ca 0.05 1.99 -0.16 0.00 0.00 0.00 0.00 61.98 63.85 3ias s VAL 109 Cb -0.13 -4.29 0.25 0.00 0.00 0.00 0.00 36.38 32.21 3ias s VAL 109 CO -0.12 0.12 0.65 -2.65 0.00 0.00 0.00 175.10 173.09 3ias n PRO 110 N 4.28 -2.63 0.38 2.72 -0.02 -1.26 -4.68 135.00 133.79 3ias n PRO 110 Ca 0.06 -0.75 -0.19 0.00 -2.02 0.00 0.00 63.50 60.60 3ias n PRO 110 Cb 0.50 -1.95 -0.09 0.00 -0.02 0.00 0.00 33.50 31.94 3ias n PRO 110 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 3ias h PRO 111 N -2.68 -1.03 0.00 0.52 0.13 -1.95 -2.57 132.00 124.42 3ias h PRO 111 Ca -0.56 0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3ias h PRO 111 Cb 1.32 0.23 0.00 0.00 0.13 0.00 0.00 31.00 32.68 3ias h PRO 111 CO 0.42 -0.69 0.00 -0.09 -0.23 0.00 0.00 178.00 177.41 3ias h ARG 112 N -1.07 0.00 0.21 0.86 2.43 -1.82 -2.39 114.38 112.60 3ias h ARG 112 Ca -0.09 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.07 3ias h ARG 112 Cb 0.87 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.42 3ias h ARG 112 CO 0.08 0.00 -0.10 0.00 -1.51 0.00 0.00 179.97 178.43 3ias h ALA 113 N 2.00 -0.28 -0.95 2.80 0.00 -1.71 -1.85 119.26 119.26 3ias h ALA 113 Ca 0.00 -0.20 0.14 0.00 0.00 0.00 0.00 54.91 54.85 3ias h ALA 113 Cb 0.23 0.11 -0.09 0.00 0.00 0.00 0.00 17.79 18.04 3ias h ALA 113 CO 0.00 -0.34 0.57 1.49 0.00 0.00 0.00 179.25 180.97 3ias h GLU 114 N -0.92 0.83 0.24 0.00 4.81 -1.18 0.22 114.58 118.58 3ias h GLU 114 Ca -0.03 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.14 3ias h GLU 114 Cb 0.49 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.69 3ias h GLU 114 CO 0.05 0.55 -0.12 1.15 -0.73 0.00 0.00 179.01 179.91 3ias h THR 115 N 0.85 0.81 -0.73 0.32 2.02 -1.48 -2.62 112.91 112.07 3ias h THR 115 Ca 0.49 -0.33 0.04 0.00 0.77 0.00 0.00 66.41 67.39 3ias h THR 115 Cb 0.58 1.01 -0.04 0.00 -1.74 0.00 0.00 68.15 67.96 3ias h THR 115 CO -0.30 0.07 0.48 0.40 0.37 0.00 0.00 175.52 176.54 3ias h ILE 116 N -0.49 1.08 0.00 3.11 2.04 -0.56 -2.38 117.51 120.30 3ias h ILE 116 Ca -0.03 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.54 3ias h ILE 116 Cb 0.37 0.16 0.00 0.00 -0.74 0.00 0.00 36.82 36.61 3ias h ILE 116 CO 0.05 0.15 0.00 0.54 0.00 0.00 0.00 178.15 178.90 3ias n ARG 117 N -4.46 0.20 -0.10 2.37 1.74 0.72 -0.48 116.66 116.65 3ias n ARG 117 Ca 0.10 0.44 -0.14 0.00 -0.77 0.00 0.00 57.85 57.48 3ias n ARG 117 Cb 0.16 -1.89 -0.14 0.00 -1.02 0.00 0.00 32.46 29.56 3ias n ARG 117 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 3ias n VAL 118 N -2.28 1.47 -0.09 1.55 0.24 -0.94 -2.37 118.33 115.91 3ias n VAL 118 Ca 0.02 -0.72 0.05 0.00 -2.04 0.00 0.00 64.34 61.65 3ias n VAL 118 Cb 0.22 -1.00 0.38 0.00 -1.47 0.00 0.00 33.84 31.98 3ias n VAL 118 CO 0.00 0.00 0.00 0.40 -2.14 0.00 0.00 176.83 175.09 3ias h ILE 119 N 0.00 1.08 0.12 1.34 2.04 -1.06 0.17 117.51 121.21 3ias h ILE 119 Ca -0.54 -0.23 -0.20 0.00 1.00 0.00 0.00 64.86 64.89 3ias h ILE 119 Cb 2.07 0.35 0.02 0.00 -0.74 0.00 0.00 36.82 38.52 3ias h ILE 119 CO -0.01 0.12 -0.86 0.25 0.00 0.00 0.00 178.15 177.65 3ias h LEU 120 N 0.67 0.54 0.63 1.44 7.12 -0.94 -2.72 115.31 122.06 3ias h LEU 120 Ca 0.23 -0.91 -0.03 0.00 0.13 0.00 0.00 57.88 57.30 3ias h LEU 120 Cb 0.07 -0.17 0.01 0.00 -0.53 0.00 0.00 40.66 40.04 3ias h LEU 120 CO -0.06 1.40 -0.30 -1.13 -0.13 0.00 0.00 178.44 178.22 3ias h ASN 121 N -0.24 -0.72 0.46 1.25 -1.24 -1.02 -2.69 115.58 111.39 3ias h ASN 121 Ca -0.14 0.02 -0.11 0.00 0.71 0.00 0.00 56.30 56.78 3ias h ASN 121 Cb 1.64 0.19 -0.01 0.00 0.73 0.00 0.00 38.32 40.87 3ias h ASN 121 CO 0.16 -0.51 -0.50 -0.33 -1.29 0.00 0.00 177.43 174.97 3ias h GLU 122 N -0.87 0.04 -0.07 6.67 4.39 -0.83 -1.18 114.58 122.73 3ias h GLU 122 Ca -0.09 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.58 3ias h GLU 122 Cb 0.66 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.31 3ias h GLU 122 CO 0.14 0.53 -0.00 1.25 -1.16 0.00 0.00 179.01 179.77 3ias h LEU 123 N 0.03 0.08 0.13 1.33 5.85 -1.39 -0.82 115.31 120.53 3ias h LEU 123 Ca -0.00 -0.00 -0.29 0.00 0.84 0.00 0.00 57.88 58.43 3ias h LEU 123 Cb 0.90 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.91 3ias h LEU 123 CO 0.07 0.10 -1.34 -1.28 -0.34 0.00 0.00 178.44 175.64 3ias h SER 124 N 0.09 0.44 -1.00 1.25 0.87 -1.03 -3.06 113.55 111.11 3ias h SER 124 Ca 0.02 -0.51 0.06 0.00 -1.23 0.00 0.00 61.79 60.13 3ias h SER 124 Cb 0.07 -0.14 -0.06 0.00 -0.44 0.00 0.00 62.40 61.82 3ias h SER 124 CO 0.00 1.40 0.65 -0.09 -0.53 0.00 0.00 176.83 178.26 3ias h ARG 125 N 0.08 1.16 -0.86 2.24 2.43 -0.37 0.01 114.38 119.08 3ias h ARG 125 Ca -0.17 -0.07 0.01 0.00 -0.81 0.00 0.00 59.98 58.93 3ias h ARG 125 Cb 2.00 -0.26 -0.04 0.00 -0.42 0.00 0.00 29.97 31.24 3ias h ARG 125 CO 0.20 0.77 0.56 -0.07 -1.51 0.00 0.00 179.97 179.92 3ias h LEU 126 N 1.20 1.00 -1.05 3.80 3.38 -1.21 -1.57 115.31 120.86 3ias h LEU 126 Ca 0.42 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 58.30 3ias h LEU 126 Cb 0.11 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 3ias h LEU 126 CO -0.16 0.73 0.01 0.00 0.09 0.00 0.00 178.44 179.12 3ias h ALA 127 N 1.45 1.22 0.00 1.53 0.00 -0.92 0.11 119.26 122.65 3ias h ALA 127 Ca 0.31 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 3ias h ALA 127 Cb -0.12 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 3ias h ALA 127 CO -0.07 0.52 -0.46 1.03 0.00 0.00 0.00 179.25 180.27 3ias h SER 128 N 0.65 0.00 0.59 0.00 0.87 -0.83 -3.07 113.55 111.75 3ias h SER 128 Ca 0.13 0.00 -0.28 0.00 -1.23 0.00 0.00 61.79 60.41 3ias h SER 128 Cb 0.39 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.33 3ias h SER 128 CO 0.01 0.44 -1.44 0.45 -0.53 0.00 0.00 176.83 175.76 3ias h HIS 129 N 0.00 0.27 -0.50 2.24 -0.00 -1.14 -3.04 115.15 112.98 3ias h HIS 129 Ca -0.01 -0.19 0.04 0.00 -0.00 0.00 0.00 60.37 60.21 3ias h HIS 129 Cb 1.34 -0.01 -0.03 0.00 -0.00 0.00 0.00 27.41 28.71 3ias h HIS 129 CO 0.00 1.23 0.33 -0.07 -0.00 0.00 0.00 177.93 179.42 3ias h LEU 130 N 0.04 0.47 0.00 2.43 3.38 -0.77 0.18 115.31 121.04 3ias h LEU 130 Ca -0.20 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 3ias h LEU 130 Cb 1.96 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.60 3ias h LEU 130 CO 0.14 0.32 -0.00 0.58 0.09 0.00 0.00 178.44 179.57 3ias h VAL 131 N 0.55 1.44 -0.26 1.22 2.07 -1.60 -1.17 116.25 118.49 3ias h VAL 131 Ca 0.21 -1.29 0.02 0.00 0.82 0.00 0.00 66.70 66.46 3ias h VAL 131 Cb 0.14 2.32 -0.03 0.00 -1.52 0.00 0.00 31.29 32.20 3ias h VAL 131 CO -0.05 0.33 0.10 0.15 0.02 0.00 0.00 177.57 178.12 3ias h PHE 132 N -0.55 0.18 -0.27 1.57 3.57 -1.31 -0.76 116.94 119.37 3ias h PHE 132 Ca -0.00 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 3ias h PHE 132 Cb 0.55 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.23 3ias h PHE 132 CO 0.12 0.09 0.09 1.25 -2.23 0.00 0.00 178.31 177.63 3ias h LEU 133 N 0.22 0.34 -0.40 0.59 5.85 -0.74 -2.98 115.31 118.19 3ias h LEU 133 Ca 0.11 -0.03 -0.18 0.00 0.84 0.00 0.00 57.88 58.62 3ias h LEU 133 Cb 0.07 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.01 3ias h LEU 133 CO -0.11 0.33 -0.67 1.23 -0.34 0.00 0.00 178.44 178.88 3ias h GLY 134 N 0.55 0.59 2.00 3.75 0.00 -0.23 -2.37 103.07 107.37 3ias h GLY 134 Ca 0.09 -0.78 0.00 0.00 0.00 0.00 0.00 47.33 46.65 3ias h GLY 134 CO -0.01 0.70 0.00 -1.30 0.00 0.00 0.00 176.54 175.93 3ias n THR 135 N -3.90 0.68 0.28 4.70 -2.24 -0.38 -2.64 114.28 110.77 3ias n THR 135 Ca -0.04 -0.12 0.11 0.00 -2.27 0.00 0.00 64.05 61.74 3ias n THR 135 Cb 0.67 -0.78 0.02 0.00 -2.10 0.00 0.00 70.33 68.14 3ias n THR 135 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ias n GLY 136 N 0.86 -1.36 0.19 3.38 0.00 -1.13 -3.36 105.19 103.77 3ias n GLY 136 Ca 0.04 -0.30 -0.15 0.00 0.00 0.00 0.00 46.02 45.62 3ias n GLY 136 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3ias h LEU 137 N 0.00 0.72 -0.02 0.99 3.38 -1.18 -3.09 115.31 116.10 3ias h LEU 137 Ca 0.00 -0.50 -0.00 0.00 0.09 0.00 0.00 57.88 57.46 3ias h LEU 137 Cb 0.90 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.43 3ias h LEU 137 CO 0.00 1.28 -0.00 -0.07 0.09 0.00 0.00 178.44 179.74 3ias h LEU 138 N 0.38 0.04 0.00 1.67 4.07 -1.64 -1.63 115.31 118.19 3ias h LEU 138 Ca -0.06 -0.34 0.00 0.00 0.08 0.00 0.00 57.88 57.56 3ias h LEU 138 Cb 1.45 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 43.18 3ias h LEU 138 CO 0.16 0.36 0.00 0.47 -1.08 0.00 0.00 178.44 178.35 3ias n ASP 139 N -4.90 0.00 -0.27 -0.43 8.00 -1.21 0.17 116.55 117.90 3ias n ASP 139 Ca -0.08 0.20 0.04 0.00 0.71 0.00 0.00 54.79 55.66 3ias n ASP 139 Cb 0.19 -0.25 0.02 0.00 -0.02 0.00 0.00 41.12 41.06 3ias n ASP 139 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 3ias n LEU 140 N -1.25 1.48 0.00 0.64 0.00 -1.02 -5.01 117.00 111.84 3ias n LEU 140 Ca 0.02 -0.94 0.00 0.00 0.00 0.00 0.00 56.01 55.09 3ias n LEU 140 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.44 3ias n LEU 140 CO 0.02 0.30 0.00 0.61 0.00 0.00 0.00 177.39 178.32 3ias n GLY 141 N 0.53 1.58 3.50 -3.96 0.00 0.13 -4.95 105.19 102.03 3ias n GLY 141 Ca 0.04 -0.22 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 3ias n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ias n ALA 142 N 0.00 0.34 -0.04 4.61 0.00 -1.06 -4.76 120.51 119.60 3ias n ALA 142 Ca 0.00 -0.34 0.02 0.00 0.00 0.00 0.00 53.44 53.12 3ias n ALA 142 Cb 0.00 -2.36 -0.13 0.00 0.00 0.00 0.00 19.45 16.96 3ias n ALA 142 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3ias n LEU 143 N 11.02 0.00 0.04 0.00 0.00 -1.26 -3.55 117.00 123.25 3ias n LEU 143 Ca 0.63 0.00 -0.09 0.00 0.00 0.00 0.00 56.01 56.55 3ias n LEU 143 Cb 0.08 0.17 -0.13 0.00 0.00 0.00 0.00 43.42 43.54 3ias n LEU 143 CO 0.92 0.17 -0.14 0.74 0.00 0.00 0.00 177.39 179.08 3ias h THR 144 N 0.00 1.36 -0.02 1.96 2.02 -1.98 -2.61 112.91 113.64 3ias h THR 144 Ca -0.18 -3.10 -0.01 0.00 0.77 0.00 0.00 66.41 63.88 3ias h THR 144 Cb 1.31 2.71 -0.00 0.00 -1.74 0.00 0.00 68.15 70.42 3ias h THR 144 CO 0.01 0.80 -0.05 -0.65 0.37 0.00 0.00 175.52 176.01 3ias h PRO 145 N 0.01 0.02 0.02 6.66 0.11 -1.96 -2.97 132.00 133.90 3ias h PRO 145 Ca -0.13 -0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.78 3ias h PRO 145 Cb 1.89 -0.00 0.02 0.00 0.11 0.00 0.00 31.00 33.01 3ias h PRO 145 CO 0.12 0.07 -0.79 0.35 -0.21 0.00 0.00 178.00 177.54 3ias h PHE 146 N 0.02 0.76 0.00 0.65 3.57 -1.60 -2.74 116.94 117.60 3ias h PHE 146 Ca 0.01 -0.43 0.00 0.00 3.53 0.00 0.00 57.97 61.08 3ias h PHE 146 Cb 0.10 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 38.76 3ias h PHE 146 CO 0.00 1.26 0.00 0.34 -2.23 0.00 0.00 178.31 177.68 3ias n PHE 147 N -4.08 0.00 -0.12 0.41 7.35 -0.99 -1.86 117.46 118.18 3ias n PHE 147 Ca -0.11 0.00 -0.21 0.00 -0.76 0.00 0.00 57.45 56.37 3ias n PHE 147 Cb 0.77 -0.29 -0.08 0.00 0.35 0.00 0.00 39.48 40.23 3ias n PHE 147 CO 0.00 0.00 0.00 0.66 -0.76 0.00 0.00 176.76 176.66 3ias n TYR 148 N -1.29 0.30 -0.08 -5.13 4.01 -1.14 -4.07 117.16 109.76 3ias n TYR 148 Ca 0.02 0.13 0.19 0.00 -0.16 0.00 0.00 57.90 58.08 3ias n TYR 148 Cb 0.04 -0.89 0.62 0.00 -0.31 0.00 0.00 39.34 38.79 3ias n TYR 148 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3ias h ALA 149 N -0.89 2.38 0.00 -0.72 0.00 -1.11 0.28 119.26 119.19 3ias h ALA 149 Ca -0.42 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3ias h ALA 149 Cb 1.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.11 3ias h ALA 149 CO -0.25 -0.56 0.00 0.35 0.00 0.00 0.00 179.25 178.79 3ias h PHE 150 N 0.16 0.00 0.19 0.00 3.57 -1.59 -2.23 116.94 117.04 3ias h PHE 150 Ca 0.31 0.00 -0.34 0.00 3.53 0.00 0.00 57.97 61.48 3ias h PHE 150 Cb 1.00 0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.76 3ias h PHE 150 CO -0.00 0.00 -1.63 -0.09 -2.23 0.00 0.00 178.31 174.36 3ias h ARG 151 N 0.00 0.39 0.39 1.11 2.43 -0.74 -3.15 114.38 114.81 3ias h ARG 151 Ca 0.00 -0.67 -0.01 0.00 -0.81 0.00 0.00 59.98 58.50 3ias h ARG 151 Cb 0.94 0.25 -0.02 0.00 -0.42 0.00 0.00 29.97 30.72 3ias h ARG 151 CO 0.00 1.30 -0.36 0.93 -1.51 0.00 0.00 179.97 180.33 3ias h GLU 152 N 0.11 -0.73 -0.59 0.20 3.07 -0.71 -1.41 114.58 114.52 3ias h GLU 152 Ca -0.30 0.05 0.10 0.00 -0.50 0.00 0.00 59.36 58.71 3ias h GLU 152 Cb 2.09 0.17 -0.11 0.00 -0.84 0.00 0.00 28.75 30.06 3ias h GLU 152 CO 0.20 -0.49 -0.37 -0.09 -1.40 0.00 0.00 179.01 176.86 3ias h ARG 153 N -0.76 -0.18 -0.05 2.33 2.43 -1.55 0.19 114.38 116.79 3ias h ARG 153 Ca -0.03 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.16 3ias h ARG 153 Cb 0.67 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.26 3ias h ARG 153 CO -0.04 -0.12 0.05 0.93 -1.51 0.00 0.00 179.97 179.27 3ias h GLU 154 N -0.19 0.00 -0.02 0.20 4.39 -1.44 0.70 114.58 118.22 3ias h GLU 154 Ca 0.21 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.73 3ias h GLU 154 Cb 0.56 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.20 3ias h GLU 154 CO -0.68 0.00 -0.81 1.15 -1.16 0.00 0.00 179.01 177.51 3ias h THR 155 N 0.00 1.46 -0.17 1.13 2.02 0.45 -1.08 112.91 116.72 3ias h THR 155 Ca 0.02 -2.43 -0.07 0.00 0.77 0.00 0.00 66.41 64.71 3ias h THR 155 Cb 0.11 2.33 -0.00 0.00 -1.74 0.00 0.00 68.15 68.85 3ias h THR 155 CO -0.00 0.71 -0.15 0.40 0.37 0.00 0.00 175.52 176.85 3ias h ILE 156 N 0.14 1.34 0.00 3.11 2.04 0.04 -3.04 117.51 121.14 3ias h ILE 156 Ca -0.04 -1.30 -0.02 0.00 1.00 0.00 0.00 64.86 64.51 3ias h ILE 156 Cb 1.41 1.82 -0.00 0.00 -0.74 0.00 0.00 36.82 39.30 3ias h ILE 156 CO 0.13 0.39 -0.09 -0.07 0.00 0.00 0.00 178.15 178.50 3ias h LEU 157 N 0.04 0.00 -0.97 1.44 3.38 -0.96 -0.07 115.31 118.18 3ias h LEU 157 Ca 0.03 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 3ias h LEU 157 Cb 0.68 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 3ias h LEU 157 CO 0.04 0.09 -0.14 0.44 0.09 0.00 0.00 178.44 178.96 3ias h ASP 158 N 0.00 0.58 -0.43 -0.43 3.32 -1.10 -2.59 116.42 115.78 3ias h ASP 158 Ca -0.00 -0.17 -0.10 0.00 0.02 0.00 0.00 57.03 56.78 3ias h ASP 158 Cb 0.31 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 3ias h ASP 158 CO 0.01 0.75 -0.12 -0.07 -1.72 0.00 0.00 179.24 178.09 3ias h LEU 159 N 0.54 0.85 -1.86 1.55 3.38 -0.91 -1.73 115.31 117.13 3ias h LEU 159 Ca 0.09 -0.37 -0.03 0.00 0.09 0.00 0.00 57.88 57.67 3ias h LEU 159 Cb 0.55 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 3ias h LEU 159 CO 0.03 1.02 -0.13 -0.26 0.09 0.00 0.00 178.44 179.19 3ias h PHE 160 N 0.67 0.00 0.00 1.13 0.04 -1.32 -1.25 116.94 116.21 3ias h PHE 160 Ca 0.11 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.81 3ias h PHE 160 Cb 0.66 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.80 3ias h PHE 160 CO 0.05 0.13 -0.53 1.49 -0.60 0.00 0.00 178.31 178.86 3ias h GLU 161 N 0.00 0.00 0.26 1.51 4.81 -1.09 -1.25 114.58 118.83 3ias h GLU 161 Ca -0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 3ias h GLU 161 Cb 0.29 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.68 3ias h GLU 161 CO 0.02 0.25 -0.13 -1.49 -0.73 0.00 0.00 179.01 176.93 3ias h TRP 162 N 0.00 -0.33 0.08 0.92 4.06 -0.34 -2.69 115.95 117.66 3ias h TRP 162 Ca -0.02 -0.01 -0.15 0.00 2.06 0.00 0.00 58.89 60.77 3ias h TRP 162 Cb 1.24 0.11 0.01 0.00 -1.00 0.00 0.00 29.16 29.52 3ias h TRP 162 CO 0.00 0.02 -0.72 -0.24 -3.56 0.00 0.00 178.44 173.94 3ias h VAL 163 N -0.75 1.46 -0.02 1.49 3.04 -1.53 -3.39 116.25 116.56 3ias h VAL 163 Ca -0.04 -2.43 0.00 0.00 -1.01 0.00 0.00 66.70 63.22 3ias h VAL 163 Cb 0.50 3.09 0.00 0.00 -2.01 0.00 0.00 31.29 32.87 3ias h VAL 163 CO 0.06 0.65 -0.07 0.35 -1.01 0.00 0.00 177.57 177.55 3ias n THR 164 N -4.25 0.00 -1.23 3.17 -2.24 -0.49 -4.88 114.28 104.35 3ias n THR 164 Ca -0.16 -0.46 -0.08 0.00 -2.27 0.00 0.00 64.05 61.08 3ias n THR 164 Cb 0.73 1.31 -0.03 0.00 -2.10 0.00 0.00 70.33 70.23 3ias n THR 164 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ias n GLY 165 N 0.98 0.92 3.00 3.38 0.00 -1.01 -4.71 105.19 107.74 3ias n GLY 165 Ca 0.09 -0.26 -0.11 0.00 0.00 0.00 0.00 46.02 45.74 3ias n GLY 165 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ias s GLN 166 N -2.38 0.25 0.08 1.61 -0.21 -1.21 -4.91 119.66 112.88 3ias s GLN 166 Ca 0.00 -0.22 -0.24 0.00 0.02 0.00 0.00 55.36 54.92 3ias s GLN 166 Cb 0.00 0.10 -0.16 0.00 1.00 0.00 0.00 33.01 33.95 3ias s GLN 166 CO 0.00 -0.05 1.71 0.00 -2.12 0.00 0.00 175.29 174.83 3ias h ARG 167 N 5.21 -0.08 0.00 2.91 2.47 -1.84 -3.05 114.38 120.00 3ias h ARG 167 Ca -0.28 0.01 -0.10 0.00 -1.26 0.00 0.00 59.98 58.35 3ias h ARG 167 Cb 1.20 0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 29.53 3ias h ARG 167 CO 0.43 -0.03 0.16 1.97 0.56 0.00 0.00 179.97 183.06 3ias n PHE 168 N -5.12 -2.11 -3.41 3.04 1.16 -1.26 -4.80 117.46 104.97 3ias n PHE 168 Ca -0.08 -1.96 -0.20 0.00 -1.87 0.00 0.00 57.45 53.35 3ias n PHE 168 Cb 0.07 0.81 0.07 0.00 -1.61 0.00 0.00 39.48 38.82 3ias n PHE 168 CO 0.00 0.00 0.00 0.72 -1.87 0.00 0.00 176.76 175.61 3ias n HIS 169 N -0.54 -2.40 -2.19 2.97 8.25 -1.26 -4.94 115.22 115.11 3ias n HIS 169 Ca -0.06 0.85 -0.43 0.00 -0.26 0.00 0.00 57.72 57.82 3ias n HIS 169 Cb 0.58 -4.40 -0.02 0.00 1.12 0.00 0.00 29.99 27.27 3ias n HIS 169 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 3ias s HIS 170 N -3.27 2.35 -1.36 4.41 -3.43 -1.26 -4.91 115.29 107.82 3ias s HIS 170 Ca 0.47 0.56 -0.16 0.00 -0.80 0.00 0.00 55.06 55.13 3ias s HIS 170 Cb -0.21 -3.76 0.04 0.00 -1.43 0.00 0.00 32.58 27.23 3ias s HIS 170 CO 0.61 -2.86 2.02 0.09 -2.00 0.00 0.00 174.74 172.60 3ias n ASN 171 N 7.05 4.21 -0.02 7.38 4.13 -1.26 -4.41 115.26 132.34 3ias n ASN 171 Ca 0.16 -2.86 -0.04 0.00 1.68 0.00 0.00 54.58 53.52 3ias n ASN 171 Cb 0.44 -1.67 -0.02 0.00 -1.54 0.00 0.00 39.78 36.99 3ias n ASN 171 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3ias n TYR 172 N 7.26 0.00 -1.86 3.10 9.36 -1.26 -4.71 117.16 129.05 3ias n TYR 172 Ca 0.51 0.00 -0.42 0.00 3.32 0.00 0.00 57.90 61.31 3ias n TYR 172 Cb 0.42 -0.16 -0.03 0.00 -0.63 0.00 0.00 39.34 38.94 3ias n TYR 172 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 3ias s ILE 173 N -2.08 2.74 0.28 2.97 2.07 -1.26 0.46 121.20 126.38 3ias s ILE 173 Ca -0.06 0.34 0.11 0.00 -1.41 0.00 0.00 60.65 59.63 3ias s ILE 173 Cb 0.02 -3.22 -0.05 0.00 0.13 0.00 0.00 42.46 39.35 3ias s ILE 173 CO 0.08 0.01 -0.11 -0.13 -1.91 0.00 0.00 174.94 172.87 3ias s ARG 174 N 2.21 1.93 0.38 3.50 1.81 -0.54 -4.76 118.95 123.48 3ias s ARG 174 Ca 0.75 -1.65 0.11 0.00 -1.72 0.00 0.00 55.73 53.23 3ias s ARG 174 Cb -0.43 -1.92 0.91 0.00 -0.45 0.00 0.00 34.95 33.06 3ias s ARG 174 CO 0.33 0.33 1.89 0.82 -0.68 0.00 0.00 175.30 177.98 3ias h ILE 175 N 2.10 0.82 0.00 1.52 1.08 -1.93 -0.46 117.51 120.64 3ias h ILE 175 Ca -0.42 -0.20 0.00 0.00 -0.39 0.00 0.00 64.86 63.85 3ias h ILE 175 Cb 1.26 0.18 0.00 0.00 -3.07 0.00 0.00 36.82 35.18 3ias h ILE 175 CO 0.61 0.11 -0.49 1.23 -0.69 0.00 0.00 178.15 178.91 3ias h GLY 176 N 0.59 0.00 0.00 5.37 0.00 -1.91 -3.43 103.07 103.69 3ias h GLY 176 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.75 3ias h GLY 176 CO -0.17 0.00 0.00 0.61 0.00 0.00 0.00 176.54 176.98 3ias n GLY 177 N 1.22 -1.61 3.38 4.60 0.00 -0.18 -2.86 105.19 109.74 3ias n GLY 177 Ca 0.03 0.61 -0.14 0.00 0.00 0.00 0.00 46.02 46.52 3ias n GLY 177 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3ias s VAL 178 N 0.00 0.00 0.18 1.61 -7.23 -1.04 -1.47 120.40 112.46 3ias s VAL 178 Ca 0.00 -0.03 -0.26 0.00 -1.81 0.00 0.00 61.98 59.89 3ias s VAL 178 Cb 0.00 -0.69 0.05 0.00 0.56 0.00 0.00 36.38 36.30 3ias s VAL 178 CO 0.00 -0.01 1.52 1.17 -0.31 0.00 0.00 175.10 177.47 3ias n LYS 179 N 2.67 -0.36 -4.10 4.82 4.81 0.17 -4.63 118.16 121.54 3ias n LYS 179 Ca -0.14 1.50 -0.14 0.00 -0.87 0.00 0.00 58.31 58.66 3ias n LYS 179 Cb 0.57 -2.21 -0.05 0.00 0.02 0.00 0.00 35.03 33.36 3ias n LYS 179 CO 0.00 0.00 0.00 -1.83 1.17 0.00 0.00 177.40 176.74 3ias s GLU 180 N -5.66 1.80 0.97 1.64 -1.05 -1.26 -5.04 118.70 110.10 3ias s GLU 180 Ca -0.12 -1.70 -0.13 0.00 -0.15 0.00 0.00 54.97 52.87 3ias s GLU 180 Cb 0.14 0.43 0.17 0.00 -0.44 0.00 0.00 34.13 34.43 3ias s GLU 180 CO 0.64 -0.73 1.12 0.34 0.95 0.00 0.00 175.26 177.58 3ias s ASP 181 N -3.21 2.96 0.37 0.83 -1.08 -1.26 -5.03 116.67 110.25 3ias s ASP 181 Ca 0.31 1.03 -0.14 0.00 -0.52 0.00 0.00 52.55 53.23 3ias s ASP 181 Cb 0.00 -1.63 -0.08 0.00 -1.46 0.00 0.00 42.92 39.75 3ias s ASP 181 CO 0.19 -2.90 0.77 -1.48 0.52 0.00 0.00 175.17 172.27 3ias s LEU 182 N -6.27 3.95 1.00 -1.34 0.05 -1.26 -5.05 118.68 109.77 3ias s LEU 182 Ca 0.65 1.28 -0.15 0.00 0.05 0.00 0.00 54.13 55.95 3ias s LEU 182 Cb -0.16 -4.11 0.19 0.00 -2.05 0.00 0.00 46.19 40.06 3ias s LEU 182 CO 0.55 -0.30 1.19 -2.16 -0.55 0.00 0.00 176.35 175.09 3ias s PRO 183 N -3.33 0.41 0.23 1.48 0.04 -1.26 -4.97 135.00 127.59 3ias s PRO 183 Ca 0.54 -0.04 -0.05 0.00 0.04 0.00 0.00 61.00 61.49 3ias s PRO 183 Cb -0.10 -1.78 0.22 0.00 0.04 0.00 0.00 34.50 32.88 3ias s PRO 183 CO 0.22 -2.63 1.71 0.93 0.04 0.00 0.00 177.00 177.28 3ias h GLU 184 N -1.80 0.92 -0.88 4.56 3.07 -1.98 -3.12 114.58 115.35 3ias h GLU 184 Ca -0.47 -0.26 -0.01 0.00 -0.50 0.00 0.00 59.36 58.11 3ias h GLU 184 Cb 1.29 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 29.09 3ias h GLU 184 CO 0.47 0.91 0.02 0.39 -1.40 0.00 0.00 179.01 179.40 3ias n GLU 185 N -4.20 2.14 -0.06 2.33 4.71 -1.26 -3.87 120.64 120.44 3ias n GLU 185 Ca 0.03 -0.97 -0.21 0.00 -0.01 0.00 0.00 57.16 56.00 3ias n GLU 185 Cb 0.32 -1.71 -0.13 0.00 -1.01 0.00 0.00 31.44 28.92 3ias n GLU 185 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 3ias n PHE 186 N 0.18 0.74 0.02 -0.32 7.35 -1.18 -4.05 117.46 120.20 3ias n PHE 186 Ca 0.09 0.18 -0.12 0.00 -0.76 0.00 0.00 57.45 56.84 3ias n PHE 186 Cb 0.57 -1.09 -0.07 0.00 0.35 0.00 0.00 39.48 39.23 3ias n PHE 186 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 3ias h VAL 187 N -0.14 1.10 0.26 -2.13 2.07 -1.78 -1.92 116.25 113.70 3ias h VAL 187 Ca -0.49 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 66.74 3ias h VAL 187 Cb 1.88 1.27 -0.03 0.00 -1.52 0.00 0.00 31.29 32.89 3ias h VAL 187 CO -0.04 0.08 -0.48 1.55 0.02 0.00 0.00 177.57 178.70 3ias h PRO 188 N -0.09 -0.76 -0.67 1.57 0.13 -1.79 -2.69 132.00 127.69 3ias h PRO 188 Ca 0.01 0.05 0.02 0.00 -0.87 0.00 0.00 66.00 65.20 3ias h PRO 188 Cb 0.12 0.17 -0.03 0.00 0.13 0.00 0.00 31.00 31.39 3ias h PRO 188 CO -0.00 -0.51 0.44 0.93 -0.23 0.00 0.00 178.00 178.63 3ias h GLU 189 N -0.79 0.84 0.00 0.86 4.39 -1.70 0.69 114.58 118.87 3ias h GLU 189 Ca -0.03 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.61 3ias h GLU 189 Cb 0.74 -0.19 -0.00 0.00 -0.10 0.00 0.00 28.75 29.20 3ias h GLU 189 CO -0.18 0.56 -0.06 1.25 -1.16 0.00 0.00 179.01 179.43 3ias h LEU 190 N 0.87 0.00 -0.13 1.33 5.85 -1.26 -2.15 115.31 119.82 3ias h LEU 190 Ca 0.25 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.83 3ias h LEU 190 Cb -0.04 0.00 0.00 0.00 0.37 0.00 0.00 40.66 40.99 3ias h LEU 190 CO -0.06 0.06 -0.46 0.11 -0.34 0.00 0.00 178.44 177.75 3ias h LYS 191 N 0.00 0.54 -0.20 1.25 1.57 -0.52 -1.16 116.57 118.04 3ias h LYS 191 Ca -0.00 -0.41 0.05 0.00 -1.87 0.00 0.00 60.65 58.43 3ias h LYS 191 Cb 0.32 0.07 -0.05 0.00 0.08 0.00 0.00 32.23 32.65 3ias h LYS 191 CO 0.01 1.03 -0.14 0.87 -0.57 0.00 0.00 179.45 180.64 3ias h LYS 192 N 0.15 -0.14 0.00 3.15 1.57 -1.15 -1.71 116.57 118.44 3ias h LYS 192 Ca -0.02 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3ias h LYS 192 Cb 1.09 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.43 3ias h LYS 192 CO 0.10 -0.09 0.00 1.25 -0.57 0.00 0.00 179.45 180.14 3ias h LEU 193 N -0.14 0.00 -2.41 2.94 6.46 -1.57 -2.96 115.31 117.62 3ias h LEU 193 Ca 0.12 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.88 3ias h LEU 193 Cb 0.32 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.25 3ias h LEU 193 CO -0.29 0.00 0.00 -0.11 -0.62 0.00 0.00 178.44 177.42 3ias n LEU 194 N -2.98 3.64 0.00 2.25 7.94 -0.44 -3.52 117.00 123.90 3ias n LEU 194 Ca 0.03 -1.84 0.00 0.00 -1.11 0.00 0.00 56.01 53.10 3ias n LEU 194 Cb 0.46 -0.49 0.00 0.00 0.53 0.00 0.00 43.42 43.92 3ias n LEU 194 CO 0.32 0.63 -0.47 1.21 -1.11 0.00 0.00 177.39 177.97 3ias n GLU 195 N 0.80 0.94 0.12 1.96 2.13 -0.70 -4.72 120.64 121.16 3ias n GLU 195 Ca 0.19 0.00 0.12 0.00 0.66 0.00 0.00 57.16 58.14 3ias n GLU 195 Cb 0.69 -0.97 0.25 0.00 0.27 0.00 0.00 31.44 31.67 3ias n GLU 195 CO 0.00 0.00 0.00 -0.24 -0.41 0.00 0.00 177.13 176.48 3ias h VAL 196 N 0.00 0.00 -0.04 6.31 3.04 -1.67 -3.35 116.25 120.53 3ias h VAL 196 Ca 0.00 -0.65 -0.24 0.00 -1.01 0.00 0.00 66.70 64.80 3ias h VAL 196 Cb 0.94 1.48 0.01 0.00 -2.01 0.00 0.00 31.29 31.71 3ias h VAL 196 CO 0.00 0.00 -0.93 -0.07 -1.01 0.00 0.00 177.57 175.56 3ias h LEU 197 N 0.00 0.77 0.00 3.16 3.38 -1.84 -3.24 115.31 117.54 3ias h LEU 197 Ca 0.00 -0.58 0.00 0.00 0.09 0.00 0.00 57.88 57.39 3ias h LEU 197 Cb 0.83 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.34 3ias h LEU 197 CO 0.00 1.38 0.00 -2.65 0.09 0.00 0.00 178.44 177.26 3ias n PRO 198 N -3.84 0.00 0.22 1.13 -0.02 -1.26 -0.60 135.00 130.64 3ias n PRO 198 Ca -0.08 0.72 0.08 0.00 -2.02 0.00 0.00 63.50 62.19 3ias n PRO 198 Cb 0.82 -1.21 0.51 0.00 -0.02 0.00 0.00 33.50 33.61 3ias n PRO 198 CO 0.00 0.00 0.00 1.12 1.98 0.00 0.00 175.50 178.60 3ias h HIS 199 N 0.00 0.00 -0.93 6.00 2.07 -1.86 -3.08 115.15 117.35 3ias h HIS 199 Ca 0.00 0.00 0.01 0.00 -2.85 0.00 0.00 60.37 57.53 3ias h HIS 199 Cb 0.00 0.00 -0.05 0.00 2.57 0.00 0.00 27.41 29.93 3ias h HIS 199 CO -0.42 0.25 0.61 -0.09 -3.07 0.00 0.00 177.93 175.21 3ias h ARG 200 N 0.00 1.23 -0.09 5.12 9.65 -1.26 -0.72 114.38 128.31 3ias h ARG 200 Ca -0.00 -0.08 -0.05 0.00 -1.10 0.00 0.00 59.98 58.75 3ias h ARG 200 Cb 0.57 -0.28 -0.01 0.00 -1.39 0.00 0.00 29.97 28.87 3ias h ARG 200 CO 0.03 0.82 -0.17 0.82 2.80 0.00 0.00 179.97 184.28 3ias h ILE 201 N 1.27 1.17 -0.18 1.20 5.03 -0.75 -2.45 117.51 122.80 3ias h ILE 201 Ca 0.34 -0.79 -0.15 0.00 -0.12 0.00 0.00 64.86 64.14 3ias h ILE 201 Cb -0.14 1.29 -0.01 0.00 -3.03 0.00 0.00 36.82 34.94 3ias h ILE 201 CO -0.07 0.24 -0.52 0.44 -0.68 0.00 0.00 178.15 177.55 3ias h ASP 202 N 0.14 0.56 -0.82 1.72 3.32 -1.28 -1.82 116.42 118.25 3ias h ASP 202 Ca 0.03 -0.29 0.04 0.00 0.02 0.00 0.00 57.03 56.83 3ias h ASP 202 Cb 0.39 -0.16 -0.05 0.00 0.22 0.00 0.00 39.33 39.73 3ias h ASP 202 CO 0.03 0.98 0.54 -0.33 -1.72 0.00 0.00 179.24 178.73 3ias h GLU 203 N 0.39 0.96 -0.10 3.56 4.39 -0.84 0.88 114.58 123.82 3ias h GLU 203 Ca 0.01 -0.06 -0.18 0.00 0.34 0.00 0.00 59.36 59.48 3ias h GLU 203 Cb 1.05 -0.22 -0.00 0.00 -0.10 0.00 0.00 28.75 29.47 3ias h GLU 203 CO 0.10 0.64 -0.69 1.88 -1.16 0.00 0.00 179.01 179.77 3ias h TYR 204 N 0.99 0.58 -0.14 4.33 -1.99 -1.26 -2.60 116.97 116.87 3ias h TYR 204 Ca 0.33 -0.24 -0.14 0.00 2.00 0.00 0.00 58.73 60.68 3ias h TYR 204 Cb 0.06 -0.09 -0.01 0.00 2.00 0.00 0.00 36.73 38.69 3ias h TYR 204 CO -0.00 0.99 -0.50 1.49 -0.00 0.00 0.00 178.16 180.14 3ias h GLU 205 N 0.31 0.39 0.21 4.88 4.81 -0.57 -3.15 114.58 121.45 3ias h GLU 205 Ca -0.02 -0.22 -0.01 0.00 -0.13 0.00 0.00 59.36 58.97 3ias h GLU 205 Cb 1.26 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.65 3ias h GLU 205 CO 0.12 0.80 -0.15 0.00 -0.73 0.00 0.00 179.01 179.06 3ias h ALA 206 N 1.16 -0.96 -1.01 2.92 0.00 0.91 -0.73 119.26 121.54 3ias h ALA 206 Ca 0.01 -0.07 0.24 0.00 0.00 0.00 0.00 54.91 55.10 3ias h ALA 206 Cb 0.99 0.30 -0.09 0.00 0.00 0.00 0.00 17.79 18.99 3ias h ALA 206 CO 0.09 -0.96 0.65 -0.07 0.00 0.00 0.00 179.25 178.96 3ias h LEU 207 N -0.34 0.47 0.00 0.00 3.38 -1.55 -0.18 115.31 117.09 3ias h LEU 207 Ca -0.03 0.07 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 3ias h LEU 207 Cb 0.28 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3ias h LEU 207 CO 0.02 0.12 -0.81 -0.26 0.09 0.00 0.00 178.44 177.60 3ias h PHE 208 N 0.44 0.00 0.18 1.13 -1.00 -1.50 -3.36 116.94 112.83 3ias h PHE 208 Ca 0.56 0.00 -0.35 0.00 2.81 0.00 0.00 57.97 60.99 3ias h PHE 208 Cb 1.37 0.00 0.01 0.00 3.61 0.00 0.00 35.95 40.93 3ias h PHE 208 CO -0.00 0.26 -1.77 0.00 -1.61 0.00 0.00 178.31 175.19 3ias h ALA 209 N 1.74 0.19 -0.18 2.45 0.00 0.32 -3.33 119.26 120.45 3ias h ALA 209 Ca -0.04 -1.17 -0.69 0.00 0.00 0.00 0.00 54.91 53.00 3ias h ALA 209 Cb 1.24 0.48 -0.02 0.00 0.00 0.00 0.00 17.79 19.49 3ias h ALA 209 CO 0.03 1.06 3.37 0.39 0.00 0.00 0.00 179.25 184.10 3ias n GLU 210 N -3.57 3.77 -2.05 0.00 1.02 -0.22 -4.94 120.64 114.65 3ias n GLU 210 Ca -0.25 -2.59 -0.32 0.00 -0.02 0.00 0.00 57.16 53.98 3ias n GLU 210 Cb 1.07 -2.84 -0.04 0.00 -0.02 0.00 0.00 31.44 29.61 3ias n GLU 210 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3ias s SER 211 N 1.87 5.21 0.00 1.62 1.04 -1.25 -4.88 113.70 117.31 3ias s SER 211 Ca 0.62 -0.21 0.00 0.00 0.48 0.00 0.00 55.95 56.84 3ias s SER 211 Cb 0.17 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.75 3ias s SER 211 CO -0.07 -2.57 0.12 -0.81 0.98 0.00 0.00 173.24 170.89 3ias n PRO 212 N 9.01 0.00 -0.09 4.02 -0.04 -1.26 -3.56 135.00 143.09 3ias n PRO 212 Ca 0.31 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.65 3ias n PRO 212 Cb 0.49 -0.61 -0.04 0.00 -0.04 0.00 0.00 33.50 33.31 3ias n PRO 212 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 3ias h ILE 213 N 0.00 1.27 -0.93 0.52 5.03 -1.96 -3.34 117.51 118.10 3ias h ILE 213 Ca 0.00 -0.99 0.27 0.00 -0.12 0.00 0.00 64.86 64.02 3ias h ILE 213 Cb 0.00 1.40 -0.16 0.00 -3.03 0.00 0.00 36.82 35.03 3ias h ILE 213 CO 0.00 0.31 0.18 0.15 -0.68 0.00 0.00 178.15 178.11 3ias h PHE 214 N 0.24 0.23 0.06 1.37 3.57 -1.95 0.78 116.94 121.25 3ias h PHE 214 Ca 0.07 0.06 0.02 0.00 3.53 0.00 0.00 57.97 61.65 3ias h PHE 214 Cb 0.47 0.05 -0.05 0.00 2.79 0.00 0.00 35.95 39.21 3ias h PHE 214 CO 0.04 -0.33 -0.41 -0.92 -2.23 0.00 0.00 178.31 174.46 3ias h TYR 215 N 0.10 -1.15 0.00 0.41 -0.00 -1.68 -1.39 116.97 113.26 3ias h TYR 215 Ca 0.60 0.03 0.00 0.00 -0.00 0.00 0.00 58.73 59.36 3ias h TYR 215 Cb 1.27 0.50 0.00 0.00 -0.00 0.00 0.00 36.73 38.50 3ias h TYR 215 CO -0.34 -0.50 0.00 -1.91 -0.00 0.00 0.00 178.16 175.42 3ias n GLU 216 N -5.45 0.02 -0.03 1.82 2.13 0.21 -2.01 120.64 117.33 3ias n GLU 216 Ca -0.06 0.21 0.00 0.00 0.66 0.00 0.00 57.16 57.97 3ias n GLU 216 Cb 0.37 -1.53 -0.14 0.00 0.27 0.00 0.00 31.44 30.40 3ias n GLU 216 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 3ias n ARG 217 N -1.57 0.66 0.00 5.31 5.12 -0.60 -4.79 116.66 120.79 3ias n ARG 217 Ca 0.04 -0.01 0.00 0.00 -1.93 0.00 0.00 57.85 55.95 3ias n ARG 217 Cb 0.21 -1.60 0.00 0.00 -1.16 0.00 0.00 32.46 29.92 3ias n ARG 217 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3ias n ALA 218 N -2.49 1.94 -0.19 7.54 0.00 -0.77 -4.86 120.51 121.70 3ias n ALA 218 Ca -0.17 0.00 0.25 0.00 0.00 0.00 0.00 53.44 53.52 3ias n ALA 218 Cb 0.87 0.19 0.38 0.00 0.00 0.00 0.00 19.45 20.89 3ias n ALA 218 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3ias n ARG 219 N -1.83 0.01 -0.03 0.00 0.00 -0.85 -1.71 116.66 112.25 3ias n ARG 219 Ca 0.00 0.91 -0.04 0.00 -0.00 0.00 0.00 57.85 58.72 3ias n ARG 219 Cb 0.20 -2.27 -0.04 0.00 0.00 0.00 0.00 32.46 30.36 3ias n ARG 219 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3ias n GLY 220 N -1.62 -0.15 3.82 5.14 0.00 -1.26 -4.85 105.19 106.27 3ias n GLY 220 Ca 0.21 -0.06 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 3ias n GLY 220 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3ias s VAL 221 N -2.13 3.67 -0.49 1.61 -7.23 -0.69 -4.43 120.40 110.71 3ias s VAL 221 Ca -0.07 0.54 -0.02 0.00 -1.81 0.00 0.00 61.98 60.63 3ias s VAL 221 Cb 0.02 -3.32 0.00 0.00 0.56 0.00 0.00 36.38 33.65 3ias s VAL 221 CO 0.18 -0.71 0.48 0.61 -0.31 0.00 0.00 175.10 175.35 3ias n GLY 222 N -2.14 -0.98 3.59 2.32 0.00 -1.24 -2.80 105.19 103.94 3ias n GLY 222 Ca 0.07 0.35 -0.43 0.00 0.00 0.00 0.00 46.02 46.01 3ias n GLY 222 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3ias s VAL 223 N -2.88 4.07 -0.46 1.61 -7.23 -1.19 -3.50 120.40 110.81 3ias s VAL 223 Ca 0.02 1.01 -0.09 0.00 -1.81 0.00 0.00 61.98 61.12 3ias s VAL 223 Cb -0.01 -4.64 0.11 0.00 0.56 0.00 0.00 36.38 32.41 3ias s VAL 223 CO 0.52 -1.18 0.33 -0.63 -0.31 0.00 0.00 175.10 173.83 3ias s ILE 224 N 4.87 4.16 -0.12 -0.62 1.01 0.18 -4.67 121.20 126.01 3ias s ILE 224 Ca 0.46 -1.76 -0.29 0.00 0.00 0.00 0.00 60.65 59.06 3ias s ILE 224 Cb -0.08 -3.73 -0.05 0.00 0.01 0.00 0.00 42.46 38.61 3ias s ILE 224 CO 0.28 -0.74 1.82 -2.16 0.00 0.00 0.00 174.94 174.14 3ias s PRO 225 N 1.36 3.84 0.58 2.79 0.04 -1.26 -3.52 135.00 138.83 3ias s PRO 225 Ca 0.06 2.07 0.34 0.00 0.04 0.00 0.00 61.00 63.51 3ias s PRO 225 Cb -0.26 -4.12 1.33 0.00 0.04 0.00 0.00 34.50 31.50 3ias s PRO 225 CO -0.01 -1.26 1.59 -1.35 0.04 0.00 0.00 177.00 176.01 3ias h PRO 226 N 11.22 0.00 -0.01 0.56 0.11 -1.96 1.00 132.00 142.91 3ias h PRO 226 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3ias h PRO 226 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3ias h PRO 226 CO 0.97 0.00 -0.32 0.39 -0.21 0.00 0.00 178.00 178.83 3ias n GLU 227 N -3.66 1.57 -0.05 1.05 1.02 -1.26 -3.96 120.64 115.35 3ias n GLU 227 Ca 0.24 -0.96 -0.04 0.00 -0.02 0.00 0.00 57.16 56.37 3ias n GLU 227 Cb 1.37 -1.33 -0.14 0.00 -0.02 0.00 0.00 31.44 31.32 3ias n GLU 227 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3ias n VAL 228 N 0.07 1.15 -0.25 2.62 0.31 0.22 -4.04 118.33 118.41 3ias n VAL 228 Ca 0.08 -0.76 -0.02 0.00 -0.01 0.00 0.00 64.34 63.63 3ias n VAL 228 Cb 0.38 -0.52 0.16 0.00 -0.91 0.00 0.00 33.84 32.95 3ias n VAL 228 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3ias h ALA 229 N 1.25 1.26 -0.16 3.52 0.00 -1.40 0.24 119.26 123.96 3ias h ALA 229 Ca -0.35 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 3ias h ALA 229 Cb 1.88 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 19.35 3ias h ALA 229 CO 0.04 0.59 0.01 -0.89 0.00 0.00 0.00 179.25 179.00 3ias n ILE 230 N -4.34 0.80 0.00 0.00 5.41 -1.25 -1.13 119.36 118.84 3ias n ILE 230 Ca 0.08 -0.39 0.00 0.00 1.00 0.00 0.00 62.75 63.44 3ias n ILE 230 Cb 0.11 -0.46 0.00 0.00 -0.71 0.00 0.00 39.64 38.57 3ias n ILE 230 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 3ias n ASP 231 N 0.16 4.91 0.01 4.38 -0.08 -0.03 -4.68 116.55 121.22 3ias n ASP 231 Ca 0.08 0.00 0.11 0.00 -1.51 0.00 0.00 54.79 53.47 3ias n ASP 231 Cb 0.53 0.46 -0.06 0.00 2.34 0.00 0.00 41.12 44.39 3ias n ASP 231 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 3ias n LEU 232 N -2.04 0.56 0.00 -2.67 4.77 -0.58 -4.98 117.00 112.06 3ias n LEU 232 Ca 0.00 -0.12 0.00 0.00 -0.03 0.00 0.00 56.01 55.86 3ias n LEU 232 Cb 0.50 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 3ias n LEU 232 CO 0.00 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 176.75 3ias n GLY 233 N 1.37 1.05 3.27 -0.72 0.00 -0.35 -4.76 105.19 105.06 3ias n GLY 233 Ca 0.01 -0.48 -0.39 0.00 0.00 0.00 0.00 46.02 45.16 3ias n GLY 233 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3ias n LEU 234 N 0.00 3.48 -0.11 0.99 -0.00 -0.29 -4.44 117.00 116.63 3ias n LEU 234 Ca 0.00 -2.83 0.13 0.00 -0.00 0.00 0.00 56.01 53.31 3ias n LEU 234 Cb 0.19 -1.24 0.39 0.00 -0.00 0.00 0.00 43.42 42.76 3ias n LEU 234 CO 0.00 -0.98 0.64 0.41 -0.00 0.00 0.00 177.39 177.46 3ias n THR 235 N 6.64 0.00 -1.06 1.96 -1.04 -1.26 -3.66 114.28 115.86 3ias n THR 235 Ca 0.48 -0.06 -0.26 0.00 -2.04 0.00 0.00 64.05 62.17 3ias n THR 235 Cb 0.42 0.19 -0.07 0.00 -1.82 0.00 0.00 70.33 69.05 3ias n THR 235 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3ias n GLY 236 N 1.41 3.53 4.20 3.41 0.00 -1.25 -4.28 105.19 112.20 3ias n GLY 236 Ca 0.09 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.88 3ias n GLY 236 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ias n GLY 237 N 3.24 0.00 0.84 -0.02 0.00 -1.26 -4.27 105.19 103.72 3ias n GLY 237 Ca 0.59 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.70 3ias n GLY 237 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3ias n SER 238 N 0.00 2.88 -0.05 1.61 3.41 -1.26 -3.82 113.62 116.40 3ias n SER 238 Ca 0.00 -1.85 -0.12 0.00 -0.26 0.00 0.00 58.87 56.65 3ias n SER 238 Cb 0.00 -0.14 -0.10 0.00 -0.26 0.00 0.00 64.21 63.70 3ias n SER 238 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3ias h LEU 239 N 3.45 -0.02 -0.97 1.04 6.46 -1.76 -3.33 115.31 120.17 3ias h LEU 239 Ca 0.00 -0.74 0.00 0.00 -0.12 0.00 0.00 57.88 57.02 3ias h LEU 239 Cb 0.80 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.73 3ias h LEU 239 CO 0.00 0.81 0.00 0.08 -0.62 0.00 0.00 178.44 178.71 3ias h ARG 240 N -0.94 0.00 0.00 1.25 0.11 -1.72 -1.63 114.38 111.45 3ias h ARG 240 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3ias h ARG 240 Cb 0.76 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.84 3ias h ARG 240 CO 0.00 0.00 0.00 0.00 0.10 0.00 0.00 179.97 180.07 3ias h ALA 241 N 2.14 1.00 -0.08 0.08 0.00 -1.67 0.84 119.26 121.57 3ias h ALA 241 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3ias h ALA 241 Cb 0.50 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 3ias h ALA 241 CO 0.00 0.00 -0.20 -1.13 0.00 0.00 0.00 179.25 177.92 3ias n SER 242 N -2.51 2.28 0.00 0.00 3.41 -0.62 -3.83 113.62 112.36 3ias n SER 242 Ca 0.01 -3.49 0.00 0.00 -0.26 0.00 0.00 58.87 55.13 3ias n SER 242 Cb 0.20 -0.51 0.00 0.00 -0.26 0.00 0.00 64.21 63.64 3ias n SER 242 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ias n GLY 243 N -1.18 1.24 3.62 5.00 0.00 -0.79 -4.17 105.19 108.91 3ias n GLY 243 Ca 0.20 -0.25 -0.26 0.00 0.00 0.00 0.00 46.02 45.72 3ias n GLY 243 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ias s VAL 244 N -2.00 3.45 -0.48 1.61 1.01 -1.23 -5.01 120.40 117.75 3ias s VAL 244 Ca 0.00 -1.60 0.04 0.00 0.00 0.00 0.00 61.98 60.42 3ias s VAL 244 Cb 0.00 -2.75 0.42 0.00 0.00 0.00 0.00 36.38 34.05 3ias s VAL 244 CO 0.00 -0.16 1.31 -3.20 0.00 0.00 0.00 175.10 173.06 3ias n ASN 245 N -0.19 5.33 -4.22 3.32 5.15 -1.26 -4.07 115.26 119.32 3ias n ASN 245 Ca -0.10 -3.75 -0.41 0.00 -0.60 0.00 0.00 54.58 49.72 3ias n ASN 245 Cb 0.56 -0.55 -0.04 0.00 -0.53 0.00 0.00 39.78 39.21 3ias n ASN 245 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 3ias s TYR 246 N -3.65 3.86 -0.24 1.20 5.04 -1.26 -4.98 117.35 117.32 3ias s TYR 246 Ca 0.50 -2.61 -0.08 0.00 -2.44 0.00 0.00 57.07 52.44 3ias s TYR 246 Cb 0.41 -3.54 -0.03 0.00 0.35 0.00 0.00 41.96 39.15 3ias s TYR 246 CO -0.17 -0.88 0.08 0.34 -1.34 0.00 0.00 175.55 173.58 3ias s ASP 247 N 1.00 5.25 0.50 4.32 -1.08 -1.26 -4.90 116.67 120.50 3ias s ASP 247 Ca 0.24 -0.16 0.15 0.00 -0.52 0.00 0.00 52.55 52.26 3ias s ASP 247 Cb -0.11 -1.94 1.18 0.00 -1.46 0.00 0.00 42.92 40.58 3ias s ASP 247 CO -0.09 -0.01 2.10 0.58 0.52 0.00 0.00 175.17 178.28 3ias h VAL 248 N 5.45 1.04 0.00 1.11 2.07 -1.95 0.12 116.25 124.09 3ias h VAL 248 Ca -0.38 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 66.98 3ias h VAL 248 Cb 1.18 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 32.00 3ias h VAL 248 CO 0.59 0.05 0.00 0.54 0.02 0.00 0.00 177.57 178.77 3ias n ARG 249 N -4.48 0.15 -0.06 1.57 1.74 -1.26 -1.26 116.66 113.06 3ias n ARG 249 Ca -0.03 0.47 -0.10 0.00 -0.77 0.00 0.00 57.85 57.42 3ias n ARG 249 Cb 0.13 -1.84 -0.05 0.00 -1.02 0.00 0.00 32.46 29.67 3ias n ARG 249 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3ias n LYS 250 N -2.14 0.28 0.06 5.56 4.76 -0.45 -4.35 118.16 121.88 3ias n LYS 250 Ca 0.01 0.09 -0.12 0.00 -2.87 0.00 0.00 58.31 55.42 3ias n LYS 250 Cb 0.16 -1.12 -0.07 0.00 -1.84 0.00 0.00 35.03 32.16 3ias n LYS 250 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3ias h ALA 251 N -0.19 -0.06 -2.11 7.82 0.00 -0.69 -3.35 119.26 120.69 3ias h ALA 251 Ca -0.29 -0.03 -0.52 0.00 0.00 0.00 0.00 54.91 54.07 3ias h ALA 251 Cb 1.36 0.02 -0.41 0.00 0.00 0.00 0.00 17.79 18.76 3ias h ALA 251 CO -0.11 -0.52 -0.99 0.66 0.00 0.00 0.00 179.25 178.30 3ias n TYR 252 N -5.10 1.61 -1.40 0.00 4.01 -0.39 -5.06 117.16 110.84 3ias n TYR 252 Ca -0.07 -3.88 -0.41 0.00 -0.16 0.00 0.00 57.90 53.37 3ias n TYR 252 Cb 0.06 -0.45 0.01 0.00 -0.31 0.00 0.00 39.34 38.66 3ias n TYR 252 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 3ias n PRO 253 N 0.15 0.37 0.00 -0.72 -0.02 -1.24 -4.84 135.00 128.69 3ias n PRO 253 Ca 0.27 0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 3ias n PRO 253 Cb 0.55 -1.36 0.00 0.00 -0.02 0.00 0.00 33.50 32.67 3ias n PRO 253 CO 0.00 0.00 0.00 2.48 1.98 0.00 0.00 175.50 179.96 3ias n TYR 254 N -1.09 0.00 0.00 6.00 0.18 -1.26 -4.92 117.16 116.07 3ias n TYR 254 Ca 0.11 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.89 3ias n TYR 254 Cb 0.42 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.38 3ias n TYR 254 CO 0.00 0.00 0.00 -1.13 -2.08 0.00 0.00 176.86 173.65 3ias n SER 255 N 0.00 0.00 0.00 9.48 3.41 -1.26 -3.72 113.62 121.53 3ias n SER 255 Ca 0.00 -0.34 0.00 0.00 -0.26 0.00 0.00 58.87 58.27 3ias n SER 255 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3ias n SER 255 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ias n GLY 256 N 1.31 0.86 0.28 5.00 0.00 -1.26 -4.88 105.19 106.51 3ias n GLY 256 Ca 0.00 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.19 3ias n GLY 256 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3ias h TYR 257 N 0.00 0.00 0.00 1.61 0.99 -1.88 -0.13 116.97 117.56 3ias h TYR 257 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 3ias h TYR 257 Cb 0.00 0.00 0.00 0.00 1.00 0.00 0.00 36.73 37.73 3ias h TYR 257 CO 0.00 0.00 0.02 -1.91 -0.00 0.00 0.00 178.16 176.27 3ias n GLU 258 N -2.75 0.13 -2.30 4.88 2.13 -1.26 -3.17 120.64 118.31 3ias n GLU 258 Ca -0.02 0.62 -0.19 0.00 0.66 0.00 0.00 57.16 58.23 3ias n GLU 258 Cb 0.17 -1.94 0.02 0.00 0.27 0.00 0.00 31.44 29.96 3ias n GLU 258 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 3ias n THR 259 N -2.18 2.17 -4.18 6.31 -2.24 -0.06 -5.07 114.28 109.02 3ias n THR 259 Ca -0.01 -4.01 -0.14 0.00 -2.27 0.00 0.00 64.05 57.61 3ias n THR 259 Cb 0.05 -0.57 -0.11 0.00 -2.10 0.00 0.00 70.33 67.60 3ias n THR 259 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 3ias s TYR 260 N -3.60 1.07 -0.59 4.78 1.51 -1.19 -5.09 117.35 114.23 3ias s TYR 260 Ca 0.44 -0.66 -0.27 0.00 -1.01 0.00 0.00 57.07 55.57 3ias s TYR 260 Cb 0.39 -0.58 -0.02 0.00 -0.11 0.00 0.00 41.96 41.64 3ias s TYR 260 CO -0.01 0.00 1.79 0.99 -1.11 0.00 0.00 175.55 177.21 3ias s THR 261 N -2.50 3.41 -0.10 -0.71 2.01 -1.26 -4.95 115.64 111.54 3ias s THR 261 Ca 0.06 0.27 -0.01 0.00 0.31 0.00 0.00 61.69 62.32 3ias s THR 261 Cb -0.02 -4.00 0.03 0.00 0.01 0.00 0.00 72.50 68.51 3ias s THR 261 CO -0.00 -0.94 -0.06 0.12 -0.69 0.00 0.00 174.62 173.05 3ias s PHE 262 N 8.51 1.27 -0.21 4.92 5.36 -1.26 -4.62 117.98 131.94 3ias s PHE 262 Ca 0.65 -0.59 -0.01 0.00 -0.96 0.00 0.00 56.93 56.02 3ias s PHE 262 Cb -0.13 -1.12 0.01 0.00 -0.34 0.00 0.00 43.02 41.44 3ias s PHE 262 CO 0.22 -0.46 -0.11 -0.51 -1.46 0.00 0.00 175.22 172.90 3ias s ASP 263 N 1.75 3.84 -0.48 6.13 1.01 -1.26 -5.08 116.67 122.58 3ias s ASP 263 Ca 0.04 -0.59 -0.20 0.00 0.71 0.00 0.00 52.55 52.52 3ias s ASP 263 Cb -0.13 -1.62 0.04 0.00 1.01 0.00 0.00 42.92 42.22 3ias s ASP 263 CO -0.07 -0.03 0.66 -0.69 0.21 0.00 0.00 175.17 175.25 3ias s VAL 264 N 1.37 4.80 0.48 -1.27 1.01 -1.26 -4.86 120.40 120.68 3ias s VAL 264 Ca 0.04 -0.14 -0.24 0.00 0.00 0.00 0.00 61.98 61.64 3ias s VAL 264 Cb -0.14 -4.28 -0.07 0.00 0.00 0.00 0.00 36.38 31.89 3ias s VAL 264 CO -0.07 -0.74 1.37 -2.84 0.00 0.00 0.00 175.10 172.81 3ias s PRO 265 N 2.85 3.55 0.10 2.72 0.02 -1.26 -5.03 135.00 137.94 3ias s PRO 265 Ca 0.20 2.27 0.08 0.00 0.02 0.00 0.00 61.00 63.57 3ias s PRO 265 Cb -0.16 -2.52 -0.03 0.00 0.02 0.00 0.00 34.50 31.81 3ias s PRO 265 CO 0.16 -0.88 -0.21 -0.51 -0.33 0.00 0.00 177.00 175.24 3ias s LEU 266 N -2.97 2.30 0.07 -5.54 1.43 -1.26 -4.72 118.68 107.99 3ias s LEU 266 Ca 0.64 -0.68 0.07 0.00 -1.03 0.00 0.00 54.13 53.14 3ias s LEU 266 Cb -0.41 -0.88 -0.04 0.00 0.03 0.00 0.00 46.19 44.90 3ias s LEU 266 CO 0.51 0.06 -0.16 -0.83 0.23 0.00 0.00 176.35 176.16 3ias s GLY 267 N -1.88 1.66 -0.01 -3.19 0.00 0.29 -4.88 107.32 99.30 3ias s GLY 267 Ca 0.06 -1.24 -0.01 0.00 0.00 0.00 0.00 44.72 43.53 3ias s GLY 267 CO 0.04 -1.18 0.11 0.83 0.00 0.00 0.00 173.10 172.90 3ias h GLU 268 N 4.11 -0.02 -6.10 2.90 4.39 -1.85 -2.11 114.58 115.90 3ias h GLU 268 Ca -0.49 0.00 -0.64 0.00 0.34 0.00 0.00 59.36 58.57 3ias h GLU 268 Cb 1.16 0.00 -0.30 0.00 -0.10 0.00 0.00 28.75 29.51 3ias h GLU 268 CO 0.48 -0.01 -0.87 0.50 -1.16 0.00 0.00 179.01 177.95 3ias s ARG 269 N -1.31 1.99 -0.12 2.33 6.06 -1.26 -4.43 118.95 122.20 3ias s ARG 269 Ca -0.00 -0.81 -0.01 0.00 -2.50 0.00 0.00 55.73 52.40 3ias s ARG 269 Cb 0.00 -1.84 -0.03 0.00 0.06 0.00 0.00 34.95 33.14 3ias s ARG 269 CO 0.01 0.44 1.16 0.41 -2.50 0.00 0.00 175.30 174.82 3ias n GLY 270 N 2.68 1.67 0.00 8.12 0.00 -1.23 -4.77 105.19 111.66 3ias n GLY 270 Ca -0.16 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.64 3ias n GLY 270 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3ias n ASP 271 N 3.76 0.00 -0.01 1.61 5.68 -1.23 0.48 116.55 126.84 3ias n ASP 271 Ca 0.10 -0.75 -0.03 0.00 -0.50 0.00 0.00 54.79 53.61 3ias n ASP 271 Cb 0.10 0.00 -0.12 0.00 -1.14 0.00 0.00 41.12 39.96 3ias n ASP 271 CO 0.00 0.00 0.00 0.55 -1.33 0.00 0.00 177.20 176.42 3ias n VAL 272 N -1.27 1.27 -0.08 2.12 3.14 -1.12 -3.76 118.33 118.63 3ias n VAL 272 Ca 0.00 -0.74 -0.07 0.00 -2.96 0.00 0.00 64.34 60.57 3ias n VAL 272 Cb 0.00 -0.73 -0.00 0.00 -1.06 0.00 0.00 33.84 32.05 3ias n VAL 272 CO 0.00 0.00 0.00 0.15 -6.46 0.00 0.00 176.83 170.52 3ias h PHE 273 N 0.00 -0.06 -0.56 1.45 3.57 -1.86 -1.72 116.94 117.75 3ias h PHE 273 Ca -0.26 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.22 3ias h PHE 273 Cb 1.78 0.07 -0.02 0.00 2.79 0.00 0.00 35.95 40.57 3ias h PHE 273 CO 0.00 -0.08 0.18 -0.44 -2.23 0.00 0.00 178.31 175.74 3ias h ASP 274 N 0.05 0.81 0.11 0.41 3.32 -1.86 -2.85 116.42 116.42 3ias h ASP 274 Ca 0.14 -0.20 -0.02 0.00 0.02 0.00 0.00 57.03 56.97 3ias h ASP 274 Cb 0.20 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.53 3ias h ASP 274 CO -0.26 0.80 -0.10 0.03 -1.72 0.00 0.00 179.24 178.00 3ias h ARG 275 N 0.78 0.00 0.00 3.56 3.08 -1.54 0.32 114.38 120.58 3ias h ARG 275 Ca 0.18 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 60.11 3ias h ARG 275 Cb 0.28 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.31 3ias h ARG 275 CO -0.01 0.10 -0.57 1.98 -1.07 0.00 0.00 179.97 180.41 3ias h MET 276 N 0.00 0.00 0.01 0.04 4.05 -1.13 -3.26 114.93 114.64 3ias h MET 276 Ca -0.00 0.00 -0.11 0.00 -0.28 0.00 0.00 59.70 59.31 3ias h MET 276 Cb 0.18 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 30.97 3ias h MET 276 CO 0.01 0.57 -0.59 -0.07 0.23 0.00 0.00 176.91 177.06 3ias h LEU 277 N 0.00 0.02 -0.66 3.39 3.38 -0.94 -3.27 115.31 117.24 3ias h LEU 277 Ca -0.01 -0.79 0.12 0.00 0.09 0.00 0.00 57.88 57.29 3ias h LEU 277 Cb 1.41 -0.01 -0.12 0.00 0.09 0.00 0.00 40.66 42.02 3ias h LEU 277 CO 0.07 1.23 -0.28 0.58 0.09 0.00 0.00 178.44 180.14 3ias h VAL 278 N -0.96 0.20 0.00 1.22 2.07 -0.59 0.40 116.25 118.59 3ias h VAL 278 Ca -0.16 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.36 3ias h VAL 278 Cb 1.17 0.20 -0.00 0.00 -1.52 0.00 0.00 31.29 31.14 3ias h VAL 278 CO -0.08 0.00 -0.01 0.03 0.02 0.00 0.00 177.57 177.52 3ias h ARG 279 N -0.10 0.00 0.06 1.57 3.08 -1.71 0.31 114.38 117.60 3ias h ARG 279 Ca 0.28 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 60.06 3ias h ARG 279 Cb 0.55 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.58 3ias h ARG 279 CO -0.72 0.01 -1.39 0.82 -1.07 0.00 0.00 179.97 177.63 3ias h ILE 280 N 0.00 1.29 0.00 2.04 2.04 -0.51 -3.26 117.51 119.11 3ias h ILE 280 Ca -0.00 -2.98 -0.05 0.00 1.00 0.00 0.00 64.86 62.83 3ias h ILE 280 Cb 0.18 2.74 -0.01 0.00 -0.74 0.00 0.00 36.82 38.99 3ias h ILE 280 CO 0.00 0.81 -0.25 0.03 0.00 0.00 0.00 178.15 178.75 3ias h ARG 281 N 0.04 0.00 -0.14 2.37 2.47 0.15 -2.82 114.38 116.45 3ias h ARG 281 Ca -0.17 0.00 -0.17 0.00 -1.26 0.00 0.00 59.98 58.38 3ias h ARG 281 Cb 1.94 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 30.26 3ias h ARG 281 CO 0.14 0.25 -0.62 0.93 0.56 0.00 0.00 179.97 181.23 3ias h GLU 282 N 0.00 0.48 -0.53 0.04 5.08 -1.10 -2.81 114.58 115.74 3ias h GLU 282 Ca -0.00 -0.33 -0.04 0.00 -1.00 0.00 0.00 59.36 57.98 3ias h GLU 282 Cb 0.50 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 3ias h GLU 282 CO 0.03 0.95 0.15 0.52 -1.00 0.00 0.00 179.01 179.66 3ias h MET 283 N 0.36 0.80 -0.77 2.33 2.86 -1.56 0.89 114.93 119.84 3ias h MET 283 Ca -0.01 -0.15 0.09 0.00 -2.06 0.00 0.00 59.70 57.57 3ias h MET 283 Cb 1.17 -0.13 -0.07 0.00 0.06 0.00 0.00 31.60 32.63 3ias h MET 283 CO 0.11 0.70 0.42 -0.09 1.06 0.00 0.00 176.91 179.12 3ias h ARG 284 N 0.77 0.70 0.15 1.72 9.65 -1.42 -2.38 114.38 123.57 3ias h ARG 284 Ca 0.18 -0.04 -0.22 0.00 -1.10 0.00 0.00 59.98 58.79 3ias h ARG 284 Cb 0.25 -0.16 0.02 0.00 -1.39 0.00 0.00 29.97 28.69 3ias h ARG 284 CO -0.01 0.46 -1.03 0.93 2.80 0.00 0.00 179.97 183.12 3ias h GLU 285 N 0.72 0.31 -0.50 0.20 4.39 -1.32 -3.15 114.58 115.23 3ias h GLU 285 Ca 0.37 -0.53 0.07 0.00 0.34 0.00 0.00 59.36 59.61 3ias h GLU 285 Cb 0.34 0.20 -0.03 0.00 -0.10 0.00 0.00 28.75 29.16 3ias h GLU 285 CO -0.24 1.25 0.33 0.77 -1.16 0.00 0.00 179.01 179.96 3ias h SER 286 N -0.31 0.34 -0.16 1.42 0.02 -0.80 0.21 113.55 114.27 3ias h SER 286 Ca -0.20 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.64 3ias h SER 286 Cb 1.72 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 64.18 3ias h SER 286 CO 0.14 0.22 -0.27 0.58 -1.14 0.00 0.00 176.83 176.36 3ias h VAL 287 N 0.38 1.28 -0.69 2.27 2.07 -1.48 -1.74 116.25 118.33 3ias h VAL 287 Ca 0.22 -1.36 -0.06 0.00 0.82 0.00 0.00 66.70 66.32 3ias h VAL 287 Cb 0.38 1.33 -0.03 0.00 -1.52 0.00 0.00 31.29 31.44 3ias h VAL 287 CO -0.05 0.44 0.21 0.11 0.02 0.00 0.00 177.57 178.29 3ias h LYS 288 N 0.55 1.06 0.09 1.57 1.57 -0.95 -1.67 116.57 118.79 3ias h LYS 288 Ca 0.07 -0.22 -0.00 0.00 -1.87 0.00 0.00 60.65 58.63 3ias h LYS 288 Cb 0.75 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.90 3ias h LYS 288 CO 0.06 0.91 -0.04 0.82 -0.57 0.00 0.00 179.45 180.63 3ias h ILE 289 N 1.02 1.00 -0.66 1.86 1.08 -0.94 -0.73 117.51 120.14 3ias h ILE 289 Ca 0.22 -0.31 0.09 0.00 -0.39 0.00 0.00 64.86 64.48 3ias h ILE 289 Cb 0.30 1.20 -0.07 0.00 -3.07 0.00 0.00 36.82 35.18 3ias h ILE 289 CO -0.01 0.08 0.30 0.40 -0.69 0.00 0.00 178.15 178.23 3ias h ILE 290 N -0.26 0.81 -0.54 -0.67 1.08 -1.18 0.98 117.51 117.74 3ias h ILE 290 Ca -0.01 -0.18 -0.04 0.00 -0.39 0.00 0.00 64.86 64.24 3ias h ILE 290 Cb 0.21 0.26 -0.02 0.00 -3.07 0.00 0.00 36.82 34.20 3ias h ILE 290 CO 0.02 0.09 0.17 0.11 -0.69 0.00 0.00 178.15 177.85 3ias h LYS 291 N 0.51 0.84 -0.33 2.37 1.57 -1.11 -0.67 116.57 119.76 3ias h LYS 291 Ca 0.33 -0.18 -0.17 0.00 -1.87 0.00 0.00 60.65 58.75 3ias h LYS 291 Cb 0.37 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.56 3ias h LYS 291 CO -0.28 0.77 -0.47 0.37 -0.57 0.00 0.00 179.45 179.27 3ias h GLN 292 N 0.75 0.89 -0.06 3.15 4.15 -0.37 -3.07 115.11 120.55 3ias h GLN 292 Ca 0.17 -0.53 -0.19 0.00 0.77 0.00 0.00 58.65 58.87 3ias h GLN 292 Cb 0.28 0.05 -0.00 0.00 0.21 0.00 0.00 27.48 28.02 3ias h GLN 292 CO -0.01 1.17 -0.78 0.00 -1.93 0.00 0.00 178.83 177.28 3ias h ALA 293 N 0.71 0.53 0.00 3.38 0.00 -0.82 -3.01 119.26 120.06 3ias h ALA 293 Ca 0.03 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.31 3ias h ALA 293 Cb 1.08 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3ias h ALA 293 CO 0.11 0.78 0.06 1.25 0.00 0.00 0.00 179.25 181.45 3ias h LEU 294 N 0.27 0.00 0.01 0.00 6.46 -1.03 -2.04 115.31 118.98 3ias h LEU 294 Ca -0.04 0.00 -0.21 0.00 -0.12 0.00 0.00 57.88 57.51 3ias h LEU 294 Cb 1.38 0.00 0.02 0.00 -0.73 0.00 0.00 40.66 41.32 3ias h LEU 294 CO 0.14 0.00 -0.82 -0.33 -0.62 0.00 0.00 178.44 176.81 3ias h GLU 295 N 0.00 0.53 -1.19 1.25 5.08 -1.45 -3.30 114.58 115.50 3ias h GLU 295 Ca 0.00 -0.59 -0.26 0.00 -1.00 0.00 0.00 59.36 57.51 3ias h GLU 295 Cb 0.12 0.17 -0.14 0.00 0.50 0.00 0.00 28.75 29.41 3ias h GLU 295 CO 0.00 1.21 0.34 2.89 -1.00 0.00 0.00 179.01 182.45 3ias n ARG 296 N -4.05 1.64 -2.89 2.33 1.85 -0.77 -4.76 116.66 110.01 3ias n ARG 296 Ca -0.11 -1.42 -0.43 0.00 -1.00 0.00 0.00 57.85 54.88 3ias n ARG 296 Cb 0.78 -1.56 0.01 0.00 -1.05 0.00 0.00 32.46 30.64 3ias n ARG 296 CO 0.00 0.00 0.00 -0.11 -0.01 0.00 0.00 177.63 177.51 3ias n LEU 297 N -0.02 6.20 -4.85 2.89 -0.00 -1.23 -4.95 117.00 115.03 3ias n LEU 297 Ca 0.28 -4.96 -0.37 0.00 -0.00 0.00 0.00 56.01 50.95 3ias n LEU 297 Cb 0.87 -1.40 -0.06 0.00 -0.00 0.00 0.00 43.42 42.84 3ias n LEU 297 CO 0.31 1.45 0.07 -0.70 -0.00 0.00 0.00 177.39 178.52 3ias s GLU 298 N -1.26 3.84 0.94 1.96 2.12 -1.26 -5.07 118.70 119.97 3ias s GLU 298 Ca 0.34 0.32 -0.14 0.00 0.36 0.00 0.00 54.97 55.85 3ias s GLU 298 Cb 0.02 -3.19 -0.03 0.00 0.26 0.00 0.00 34.13 31.20 3ias s GLU 298 CO 0.04 0.68 0.04 -0.35 -0.54 0.00 0.00 175.26 175.13 3ias n PRO 299 N 1.71 -0.15 0.00 4.30 -0.04 -1.26 -4.64 135.00 134.91 3ias n PRO 299 Ca -0.14 -0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.31 3ias n PRO 299 Cb 0.53 -1.58 0.00 0.00 -0.04 0.00 0.00 33.50 32.41 3ias n PRO 299 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3ias n GLY 300 N 2.13 -0.52 3.90 0.55 0.00 -1.26 -4.95 105.19 105.03 3ias n GLY 300 Ca 0.04 -0.44 -0.28 0.00 0.00 0.00 0.00 46.02 45.34 3ias n GLY 300 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ias s PRO 301 N -1.88 3.47 0.00 1.61 0.04 -1.26 -5.03 135.00 131.94 3ias s PRO 301 Ca 0.00 0.31 0.00 0.00 0.04 0.00 0.00 61.00 61.35 3ias s PRO 301 Cb 0.00 -2.29 0.00 0.00 0.04 0.00 0.00 34.50 32.25 3ias s PRO 301 CO 0.00 -0.37 0.00 1.33 0.04 0.00 0.00 177.00 178.00 3ias n VAL 302 N -2.43 0.00 -4.09 -0.36 0.24 -1.26 -4.33 118.33 106.10 3ias n VAL 302 Ca 0.02 0.00 -0.08 0.00 -2.04 0.00 0.00 64.34 62.24 3ias n VAL 302 Cb 0.55 0.34 -0.10 0.00 -1.47 0.00 0.00 33.84 33.16 3ias n VAL 302 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3ias s ARG 303 N -1.83 0.61 -0.05 7.34 1.70 -1.26 -2.50 118.95 122.95 3ias s ARG 303 Ca 0.00 -1.12 -0.29 0.00 -0.47 0.00 0.00 55.73 53.84 3ias s ARG 303 Cb 0.00 0.08 -0.07 0.00 -0.57 0.00 0.00 34.95 34.38 3ias s ARG 303 CO 0.00 -0.07 2.00 0.34 -1.08 0.00 0.00 175.30 176.49 3ias s ASP 304 N -2.65 6.20 0.11 -2.89 -1.08 -1.14 -4.85 116.67 110.38 3ias s ASP 304 Ca 0.04 2.40 0.14 0.00 -0.52 0.00 0.00 52.55 54.60 3ias s ASP 304 Cb 0.04 -2.53 0.63 0.00 -1.46 0.00 0.00 42.92 39.60 3ias s ASP 304 CO -0.07 -1.29 1.43 -0.81 0.52 0.00 0.00 175.17 174.95 3ias n PRO 305 N 7.84 0.07 -1.46 4.34 -0.04 -1.26 -4.57 135.00 139.92 3ias n PRO 305 Ca 0.22 0.42 -0.50 0.00 -0.04 0.00 0.00 63.50 63.60 3ias n PRO 305 Cb 0.42 -1.66 -0.07 0.00 -0.04 0.00 0.00 33.50 32.16 3ias n PRO 305 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 3ias n ASN 306 N -1.79 2.19 0.20 3.54 2.85 -1.26 -4.82 115.26 116.17 3ias n ASN 306 Ca 0.01 0.38 0.16 0.00 -0.11 0.00 0.00 54.58 55.02 3ias n ASN 306 Cb 0.12 -1.29 0.79 0.00 1.24 0.00 0.00 39.78 40.64 3ias n ASN 306 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3ias h PRO 307 N 12.68 0.00 0.00 1.20 0.11 -1.87 -0.86 132.00 143.27 3ias h PRO 307 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3ias h PRO 307 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 3ias h PRO 307 CO 1.02 0.00 0.00 1.96 -0.21 0.00 0.00 178.00 180.77 3ias h GLN 308 N 0.00 0.00 0.00 1.05 1.08 -1.97 -3.26 115.11 112.01 3ias h GLN 308 Ca 0.08 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.28 3ias h GLN 308 Cb 0.40 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.83 3ias h GLN 308 CO -0.00 0.00 -0.16 -0.89 -0.95 0.00 0.00 178.83 176.83 3ias n ILE 309 N -2.63 0.00 -3.87 2.54 5.41 -0.40 -4.80 119.36 115.60 3ias n ILE 309 Ca 0.03 -0.43 -0.14 0.00 1.00 0.00 0.00 62.75 63.21 3ias n ILE 309 Cb 0.34 0.94 -0.15 0.00 -0.71 0.00 0.00 39.64 40.06 3ias n ILE 309 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 3ias s THR 310 N -1.21 0.05 0.57 1.39 2.01 -0.74 -4.75 115.64 112.96 3ias s THR 310 Ca 0.00 0.07 -0.20 0.00 0.31 0.00 0.00 61.69 61.87 3ias s THR 310 Cb 0.01 -0.12 -0.04 0.00 0.01 0.00 0.00 72.50 72.36 3ias s THR 310 CO 0.05 0.07 1.28 -2.16 -0.69 0.00 0.00 174.62 173.17 3ias s PRO 311 N 0.57 3.06 0.33 4.92 0.04 -1.26 -4.41 135.00 138.25 3ias s PRO 311 Ca -0.05 2.03 -0.29 0.00 0.04 0.00 0.00 61.00 62.73 3ias s PRO 311 Cb -0.07 -2.10 -0.11 0.00 0.04 0.00 0.00 34.50 32.25 3ias s PRO 311 CO -0.01 -1.19 1.54 -1.25 0.04 0.00 0.00 177.00 176.13 3ias s PRO 312 N -3.09 4.12 -0.46 0.56 0.04 -1.26 -4.86 135.00 130.05 3ias s PRO 312 Ca 0.74 2.57 -0.45 0.00 0.04 0.00 0.00 61.00 63.91 3ias s PRO 312 Cb -0.36 -3.00 -0.19 0.00 0.04 0.00 0.00 34.50 31.00 3ias s PRO 312 CO 0.40 -0.58 1.72 -0.35 0.04 0.00 0.00 177.00 178.23 3ias n PRO 313 N 1.35 0.21 -0.24 0.56 -0.04 -1.26 -4.73 135.00 130.84 3ias n PRO 313 Ca 0.05 0.08 0.23 0.00 -0.04 0.00 0.00 63.50 63.81 3ias n PRO 313 Cb 0.38 -1.62 0.42 0.00 -0.04 0.00 0.00 33.50 32.64 3ias n PRO 313 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 3ias n ARG 314 N 4.87 -0.05 0.15 0.54 3.00 -1.26 -2.09 116.66 121.83 3ias n ARG 314 Ca 0.34 1.04 0.00 0.00 -0.00 0.00 0.00 57.85 59.23 3ias n ARG 314 Cb -0.02 -1.84 0.19 0.00 0.00 0.00 0.00 32.46 30.79 3ias n ARG 314 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.63 178.75 3ias h HIS 315 N 0.00 0.00 -0.15 -0.14 2.07 -2.03 -3.06 115.15 111.84 3ias h HIS 315 Ca 0.62 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.14 3ias h HIS 315 Cb 1.61 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.59 3ias h HIS 315 CO -0.04 0.57 0.00 1.47 -3.07 0.00 0.00 177.93 176.86 3ias n LEU 316 N -3.67 1.71 0.00 6.12 -0.00 -0.89 -3.77 117.00 116.50 3ias n LEU 316 Ca -0.01 -0.70 0.02 0.00 -0.00 0.00 0.00 56.01 55.33 3ias n LEU 316 Cb 0.61 -0.09 0.14 0.00 -0.00 0.00 0.00 43.42 44.08 3ias n LEU 316 CO 0.41 0.35 0.36 -0.11 -0.00 0.00 0.00 177.39 178.40 3ias n LEU 317 N 0.35 0.00 -0.87 1.47 7.94 -1.16 -0.71 117.00 124.03 3ias n LEU 317 Ca 0.17 0.00 0.07 0.00 -1.11 0.00 0.00 56.01 55.14 3ias n LEU 317 Cb 0.34 0.00 0.23 0.00 0.53 0.00 0.00 43.42 44.52 3ias n LEU 317 CO 0.14 0.00 0.69 -1.84 -1.11 0.00 0.00 177.39 175.26 3ias n GLU 318 N -0.96 3.02 0.16 1.96 0.28 -1.25 -4.80 120.64 119.05 3ias n GLU 318 Ca 0.04 -2.54 0.00 0.00 -0.16 0.00 0.00 57.16 54.50 3ias n GLU 318 Cb 0.02 -1.63 0.00 0.00 1.43 0.00 0.00 31.44 31.26 3ias n GLU 318 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 3ias n THR 319 N 0.05 0.00 -2.52 3.84 -1.04 0.12 -5.10 114.28 109.63 3ias n THR 319 Ca 0.18 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.77 3ias n THR 319 Cb 0.71 -0.33 -0.03 0.00 -1.82 0.00 0.00 70.33 68.87 3ias n THR 319 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 3ias s SER 320 N -3.97 7.13 0.01 8.00 0.15 -0.90 -4.91 113.70 119.21 3ias s SER 320 Ca 0.00 1.80 -0.23 0.00 0.70 0.00 0.00 55.95 58.22 3ias s SER 320 Cb 0.00 -2.56 -0.17 0.00 -1.71 0.00 0.00 66.02 61.57 3ias s SER 320 CO 0.00 -0.49 1.33 -0.03 1.20 0.00 0.00 173.24 175.25 3ias h MET 321 N 7.16 0.16 -1.08 5.44 4.05 -1.96 -2.09 114.93 126.62 3ias h MET 321 Ca -0.36 -0.08 0.31 0.00 -0.28 0.00 0.00 59.70 59.29 3ias h MET 321 Cb 1.18 -0.00 -0.12 0.00 -0.80 0.00 0.00 31.60 31.86 3ias h MET 321 CO 0.84 0.57 0.67 0.93 0.23 0.00 0.00 176.91 180.15 3ias h GLU 322 N -0.25 0.34 0.14 0.39 3.07 -1.99 0.15 114.58 116.43 3ias h GLU 322 Ca 0.01 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 58.85 3ias h GLU 322 Cb 0.54 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.37 3ias h GLU 322 CO 0.01 0.22 -0.07 0.00 -1.40 0.00 0.00 179.01 177.78 3ias h ALA 323 N 1.70 -0.19 -0.80 3.43 0.00 -1.79 0.01 119.26 121.62 3ias h ALA 323 Ca 0.69 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 55.50 3ias h ALA 323 Cb 1.72 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 19.52 3ias h ALA 323 CO -0.44 -0.47 0.49 0.28 0.00 0.00 0.00 179.25 179.11 3ias h VAL 324 N -0.46 1.05 0.19 0.00 2.07 -0.42 0.19 116.25 118.88 3ias h VAL 324 Ca -0.02 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 3ias h VAL 324 Cb 0.36 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.19 3ias h VAL 324 CO 0.03 0.17 -0.09 0.40 0.02 0.00 0.00 177.57 178.10 3ias h ILE 325 N 0.92 0.90 -0.37 4.57 2.04 -0.67 0.12 117.51 125.02 3ias h ILE 325 Ca 0.34 -0.49 0.03 0.00 1.00 0.00 0.00 64.86 65.74 3ias h ILE 325 Cb 0.12 1.20 -0.03 0.00 -0.74 0.00 0.00 36.82 37.36 3ias h ILE 325 CO -0.15 0.11 0.18 1.88 0.00 0.00 0.00 178.15 180.17 3ias h TYR 326 N -0.50 0.33 0.03 1.37 0.05 -0.74 0.14 116.97 117.65 3ias h TYR 326 Ca -0.03 0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.77 3ias h TYR 326 Cb 0.38 -0.09 0.00 0.00 1.01 0.00 0.00 36.73 38.03 3ias h TYR 326 CO 0.01 0.17 -0.01 1.25 -1.05 0.00 0.00 178.16 178.52 3ias h HIS 327 N 0.37 -0.04 -0.80 4.88 2.76 -0.55 0.84 115.15 122.62 3ias h HIS 327 Ca 0.16 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.33 3ias h HIS 327 Cb 0.08 0.01 -0.04 0.00 1.55 0.00 0.00 27.41 29.01 3ias h HIS 327 CO -0.11 -0.01 0.51 0.35 -1.30 0.00 0.00 177.93 177.37 3ias h PHE 328 N -0.06 1.02 0.03 5.26 3.57 -0.47 -2.62 116.94 123.67 3ias h PHE 328 Ca -0.00 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.41 3ias h PHE 328 Cb 0.05 -0.34 0.01 0.00 2.79 0.00 0.00 35.95 38.45 3ias h PHE 328 CO -0.07 0.66 -0.40 -0.22 -2.23 0.00 0.00 178.31 176.05 3ias h LYS 329 N 1.09 0.22 -0.85 1.11 1.63 -0.28 -3.16 116.57 116.33 3ias h LYS 329 Ca 0.29 -0.28 0.17 0.00 -0.85 0.00 0.00 60.65 59.98 3ias h LYS 329 Cb -0.09 0.09 -0.10 0.00 -0.60 0.00 0.00 32.23 31.52 3ias h LYS 329 CO -0.06 1.03 0.41 1.25 -3.45 0.00 0.00 179.45 178.62 3ias h HIS 330 N -0.45 0.70 -0.01 1.91 2.76 0.10 -1.14 115.15 119.02 3ias h HIS 330 Ca -0.06 0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.15 3ias h HIS 330 Cb 1.19 -0.18 0.00 0.00 1.55 0.00 0.00 27.41 29.97 3ias h HIS 330 CO 0.19 0.09 -0.29 0.66 -1.30 0.00 0.00 177.93 177.29 3ias n TYR 331 N -4.94 0.00 -0.05 5.26 4.01 -1.02 -3.77 117.16 116.65 3ias n TYR 331 Ca 0.18 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.88 3ias n TYR 331 Cb 0.50 -0.13 -0.02 0.00 -0.31 0.00 0.00 39.34 39.39 3ias n TYR 331 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 3ias n THR 332 N -0.71 0.97 -3.98 -0.72 -2.24 -0.47 -4.86 114.28 102.27 3ias n THR 332 Ca 0.11 0.28 -0.34 0.00 -2.27 0.00 0.00 64.05 61.83 3ias n THR 332 Cb 0.35 -2.07 -0.15 0.00 -2.10 0.00 0.00 70.33 66.36 3ias n THR 332 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3ias s GLU 333 N -2.09 3.08 0.00 -0.78 2.12 -0.95 -5.09 118.70 114.98 3ias s GLU 333 Ca -0.16 -0.81 0.00 0.00 0.36 0.00 0.00 54.97 54.37 3ias s GLU 333 Cb 0.02 -2.89 0.00 0.00 0.26 0.00 0.00 34.13 31.53 3ias s GLU 333 CO 0.23 -0.27 0.00 0.41 -0.54 0.00 0.00 175.26 175.09 3ias n GLY 334 N 4.70 -3.18 3.88 -1.50 0.00 -1.25 -4.26 105.19 103.59 3ias n GLY 334 Ca -0.18 -1.28 -0.30 0.00 0.00 0.00 0.00 46.02 44.26 3ias n GLY 334 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3ias s PHE 335 N -0.61 3.13 -0.33 1.61 -0.12 -1.26 -4.79 117.98 115.61 3ias s PHE 335 Ca 0.00 0.93 0.02 0.00 -0.05 0.00 0.00 56.93 57.83 3ias s PHE 335 Cb 0.00 -3.25 0.09 0.00 -0.63 0.00 0.00 43.02 39.23 3ias s PHE 335 CO 0.00 -1.48 0.04 -1.01 -0.05 0.00 0.00 175.22 172.72 3ias s HIS 336 N -3.44 3.61 0.58 3.49 3.76 -1.26 -4.30 115.29 117.74 3ias s HIS 336 Ca 0.60 -2.70 -0.12 0.00 -0.15 0.00 0.00 55.06 52.69 3ias s HIS 336 Cb -0.11 -2.73 -0.05 0.00 1.11 0.00 0.00 32.58 30.80 3ias s HIS 336 CO 0.51 -0.93 1.00 -2.14 -0.85 0.00 0.00 174.74 172.33 3ias s PRO 337 N 1.00 3.67 1.01 8.40 0.02 -1.26 -4.92 135.00 142.93 3ias s PRO 337 Ca 0.06 0.75 -0.11 0.00 0.02 0.00 0.00 61.00 61.71 3ias s PRO 337 Cb -0.20 -2.12 0.20 0.00 0.02 0.00 0.00 34.50 32.40 3ias s PRO 337 CO -0.06 -0.47 1.09 -2.14 -0.33 0.00 0.00 177.00 175.09 3ias s PRO 338 N -4.89 0.29 0.49 5.54 0.02 -1.26 -3.55 135.00 131.64 3ias s PRO 338 Ca 0.55 1.16 -0.22 0.00 0.02 0.00 0.00 61.00 62.51 3ias s PRO 338 Cb -0.11 -1.67 -0.07 0.00 0.02 0.00 0.00 34.50 32.68 3ias s PRO 338 CO 0.48 -3.01 1.23 0.15 -0.33 0.00 0.00 177.00 175.52 3ias s LYS 339 N -4.62 3.55 0.00 5.54 1.02 -1.26 -4.29 119.74 119.68 3ias s LYS 339 Ca 0.67 1.92 0.00 0.00 0.02 0.00 0.00 55.97 58.57 3ias s LYS 339 Cb -0.23 -2.35 0.00 0.00 -0.52 0.00 0.00 37.83 34.73 3ias s LYS 339 CO 0.60 -0.76 0.00 0.41 -0.92 0.00 0.00 175.35 174.68 3ias n GLY 340 N 0.53 1.31 2.89 -3.33 0.00 -0.99 -4.98 105.19 100.62 3ias n GLY 340 Ca 0.08 -1.62 -0.25 0.00 0.00 0.00 0.00 46.02 44.24 3ias n GLY 340 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ias s GLU 341 N -1.64 1.26 0.36 1.61 2.02 -1.26 -1.45 118.70 119.61 3ias s GLU 341 Ca 0.00 -0.18 0.05 0.00 0.02 0.00 0.00 54.97 54.86 3ias s GLU 341 Cb 0.00 -1.33 -0.07 0.00 0.10 0.00 0.00 34.13 32.84 3ias s GLU 341 CO 0.00 -0.21 0.04 0.54 0.02 0.00 0.00 175.26 175.66 3ias s VAL 342 N 1.50 1.46 -0.28 2.63 0.11 -0.83 -5.00 120.40 119.99 3ias s VAL 342 Ca -0.00 -2.00 -0.25 0.00 -2.93 0.00 0.00 61.98 56.80 3ias s VAL 342 Cb -0.13 -2.83 0.12 0.00 -1.53 0.00 0.00 36.38 32.01 3ias s VAL 342 CO -0.05 0.00 1.04 -0.47 -3.33 0.00 0.00 175.10 172.29 3ias s TYR 343 N -3.07 -0.46 -0.10 1.54 6.14 -1.26 -1.83 117.35 118.30 3ias s TYR 343 Ca 0.35 1.11 -0.05 0.00 0.64 0.00 0.00 57.07 59.12 3ias s TYR 343 Cb 0.09 0.37 0.05 0.00 0.42 0.00 0.00 41.96 42.89 3ias s TYR 343 CO 0.16 -0.23 0.23 0.14 0.64 0.00 0.00 175.55 176.49 3ias s VAL 344 N 0.16 -0.13 0.04 3.14 -7.23 -1.25 -5.03 120.40 110.11 3ias s VAL 344 Ca 0.03 0.19 -0.24 0.00 -1.81 0.00 0.00 61.98 60.15 3ias s VAL 344 Cb -0.05 -0.37 -0.06 0.00 0.56 0.00 0.00 36.38 36.46 3ias s VAL 344 CO -0.06 0.08 0.73 -2.16 -0.31 0.00 0.00 175.10 173.38 3ias s PRO 345 N 1.54 4.46 0.47 4.82 0.04 -1.26 -4.00 135.00 141.07 3ias s PRO 345 Ca -0.06 1.00 0.01 0.00 0.04 0.00 0.00 61.00 61.99 3ias s PRO 345 Cb -0.11 -3.35 -0.00 0.00 0.04 0.00 0.00 34.50 31.08 3ias s PRO 345 CO -0.08 0.32 0.03 -2.37 0.04 0.00 0.00 177.00 174.95 3ias n THR 346 N 2.69 0.00 -3.81 1.26 5.66 0.11 -4.84 114.28 115.35 3ias n THR 346 Ca -0.04 -2.31 -0.29 0.00 -3.05 0.00 0.00 64.05 58.37 3ias n THR 346 Cb 0.50 0.54 -0.16 0.00 -1.55 0.00 0.00 70.33 69.67 3ias n THR 346 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 175.07 171.32 3ias s GLU 347 N -3.71 0.99 1.04 1.09 2.12 -1.26 -1.08 118.70 117.89 3ias s GLU 347 Ca 0.04 -0.70 -0.17 0.00 0.36 0.00 0.00 54.97 54.50 3ias s GLU 347 Cb 0.00 -2.27 0.23 0.00 0.26 0.00 0.00 34.13 32.36 3ias s GLU 347 CO 0.03 -0.67 1.29 -1.54 -0.54 0.00 0.00 175.26 173.83 3ias s SER 348 N 1.66 2.43 0.43 -1.70 1.04 -0.33 -4.87 113.70 112.38 3ias s SER 348 Ca -0.01 0.27 0.30 0.00 0.48 0.00 0.00 55.95 56.99 3ias s SER 348 Cb -0.18 -0.30 1.46 0.00 0.10 0.00 0.00 66.02 67.11 3ias s SER 348 CO -0.09 -3.16 1.91 0.00 0.98 0.00 0.00 173.24 172.88 3ias h ALA 349 N -1.93 1.00 -0.45 5.32 0.00 -1.93 -1.43 119.26 119.85 3ias h ALA 349 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3ias h ALA 349 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3ias h ALA 349 CO 0.33 0.00 0.00 0.54 0.00 0.00 0.00 179.25 180.12 3ias n ARG 350 N -2.62 3.39 0.00 0.00 1.74 -1.26 -4.65 116.66 113.27 3ias n ARG 350 Ca -0.00 -2.71 0.00 0.00 -0.77 0.00 0.00 57.85 54.36 3ias n ARG 350 Cb 0.15 -1.77 0.00 0.00 -1.02 0.00 0.00 32.46 29.82 3ias n ARG 350 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ias n GLY 351 N 0.41 -0.33 3.76 -0.13 0.00 -0.54 -3.92 105.19 104.43 3ias n GLY 351 Ca 0.21 -2.11 -0.41 0.00 0.00 0.00 0.00 46.02 43.71 3ias n GLY 351 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ias s GLU 352 N 0.00 4.24 -0.06 1.61 2.12 -1.26 -1.18 118.70 124.17 3ias s GLU 352 Ca 0.00 2.36 -0.02 0.00 0.36 0.00 0.00 54.97 57.67 3ias s GLU 352 Cb 0.00 -3.07 0.04 0.00 0.26 0.00 0.00 34.13 31.36 3ias s GLU 352 CO 0.00 -0.42 0.11 -1.17 -0.54 0.00 0.00 175.26 173.24 3ias s LEU 353 N -0.90 0.39 -0.05 2.70 2.96 -0.24 -3.51 118.68 120.03 3ias s LEU 353 Ca 0.57 0.23 -0.12 0.00 -0.22 0.00 0.00 54.13 54.59 3ias s LEU 353 Cb -0.43 0.16 0.02 0.00 0.50 0.00 0.00 46.19 46.44 3ias s LEU 353 CO 0.49 -0.20 0.28 -0.83 -1.32 0.00 0.00 176.35 174.77 3ias s GLY 354 N 1.74 -0.15 -0.20 7.98 0.00 -1.23 0.06 107.32 115.51 3ias s GLY 354 Ca -0.02 0.46 -0.07 0.00 0.00 0.00 0.00 44.72 45.09 3ias s GLY 354 CO -0.05 0.30 0.05 -0.19 0.00 0.00 0.00 173.10 173.21 3ias s TYR 355 N -0.74 3.16 -0.43 1.90 1.51 -1.26 -0.17 117.35 121.32 3ias s TYR 355 Ca -0.08 -0.14 -0.10 0.00 -1.01 0.00 0.00 57.07 55.74 3ias s TYR 355 Cb -0.04 -2.11 0.08 0.00 -0.11 0.00 0.00 41.96 39.78 3ias s TYR 355 CO 0.02 -0.03 0.28 -0.47 -1.11 0.00 0.00 175.55 174.24 3ias s TYR 356 N 0.75 3.34 -0.11 2.71 5.04 -0.38 -3.78 117.35 124.92 3ias s TYR 356 Ca 0.03 -1.51 -0.03 0.00 -2.44 0.00 0.00 57.07 53.12 3ias s TYR 356 Cb -0.14 -3.05 -0.03 0.00 0.35 0.00 0.00 41.96 39.10 3ias s TYR 356 CO 0.02 -0.86 -0.00 0.42 -1.34 0.00 0.00 175.55 173.79 3ias s ILE 357 N 1.44 4.25 -0.33 3.14 1.01 -0.76 -2.09 121.20 127.86 3ias s ILE 357 Ca 0.03 -0.26 -0.01 0.00 0.00 0.00 0.00 60.65 60.42 3ias s ILE 357 Cb -0.24 -2.81 0.07 0.00 0.01 0.00 0.00 42.46 39.50 3ias s ILE 357 CO 0.02 0.57 0.05 -0.69 0.00 0.00 0.00 174.94 174.88 3ias s VAL 358 N -0.48 2.85 -0.03 2.92 1.01 0.11 -1.97 120.40 124.81 3ias s VAL 358 Ca 0.08 -1.74 -0.16 0.00 0.00 0.00 0.00 61.98 60.16 3ias s VAL 358 Cb -0.12 -2.80 -0.05 0.00 0.00 0.00 0.00 36.38 33.41 3ias s VAL 358 CO 0.02 -0.33 0.45 -0.55 0.00 0.00 0.00 175.10 174.69 3ias s SER 359 N 1.32 6.79 -0.17 3.32 0.15 -0.53 -0.05 113.70 124.54 3ias s SER 359 Ca 0.00 0.94 0.16 0.00 0.70 0.00 0.00 55.95 57.76 3ias s SER 359 Cb -0.20 -2.27 0.55 0.00 -1.71 0.00 0.00 66.02 62.38 3ias s SER 359 CO -0.03 0.21 1.44 -0.90 1.20 0.00 0.00 173.24 175.16 3ias n ASP 360 N 2.44 4.00 -0.78 5.45 5.75 -1.26 -2.35 116.55 129.80 3ias n ASP 360 Ca -0.11 -2.95 -0.08 0.00 -0.01 0.00 0.00 54.79 51.64 3ias n ASP 360 Cb 0.52 -0.54 -0.01 0.00 -1.03 0.00 0.00 41.12 40.06 3ias n ASP 360 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3ias n GLY 361 N -0.35 0.32 2.97 6.12 0.00 -1.23 -4.82 105.19 108.19 3ias n GLY 361 Ca 0.21 -0.61 -0.18 0.00 0.00 0.00 0.00 46.02 45.44 3ias n GLY 361 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ias n GLY 362 N -1.31 2.53 0.24 -0.02 0.00 -1.26 -4.80 105.19 100.57 3ias n GLY 362 Ca -0.09 -2.25 0.15 0.00 0.00 0.00 0.00 46.02 43.83 3ias n GLY 362 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3ias h SER 363 N 0.36 0.00 -3.59 1.61 0.87 -1.87 -3.38 113.55 107.55 3ias h SER 363 Ca -0.25 0.00 -0.53 0.00 -1.23 0.00 0.00 61.79 59.78 3ias h SER 363 Cb 0.98 0.00 -0.18 0.00 -0.44 0.00 0.00 62.40 62.75 3ias h SER 363 CO 0.38 0.00 -0.79 -0.04 -0.53 0.00 0.00 176.83 175.85 3ias s MET 364 N -3.43 1.27 0.58 2.24 -1.94 -1.26 -3.45 119.30 113.31 3ias s MET 364 Ca 0.04 -1.39 -0.19 0.00 -1.71 0.00 0.00 55.69 52.44 3ias s MET 364 Cb 0.07 -1.36 -0.04 0.00 2.01 0.00 0.00 34.83 35.52 3ias s MET 364 CO 0.60 0.28 1.21 -1.25 -0.01 0.00 0.00 175.02 175.85 3ias s PRO 365 N -2.71 3.04 -0.04 2.03 0.04 -1.26 -4.65 135.00 131.45 3ias s PRO 365 Ca 0.15 1.84 -0.03 0.00 0.04 0.00 0.00 61.00 63.00 3ias s PRO 365 Cb -0.06 -1.98 -0.27 0.00 0.04 0.00 0.00 34.50 32.23 3ias s PRO 365 CO 0.06 -1.15 0.69 -0.92 0.04 0.00 0.00 177.00 175.72 3ias h TYR 366 N 1.00 0.44 -2.86 0.56 3.20 -0.80 -3.41 116.97 115.09 3ias h TYR 366 Ca -0.50 -0.32 -0.13 0.00 3.14 0.00 0.00 58.73 60.92 3ias h TYR 366 Cb 1.29 -0.02 -0.23 0.00 1.54 0.00 0.00 36.73 39.32 3ias h TYR 366 CO 0.47 1.47 -0.27 0.50 -1.64 0.00 0.00 178.16 178.70 3ias s ARG 367 N -2.60 0.51 -0.10 1.82 3.52 -0.80 -4.94 118.95 116.37 3ias s ARG 367 Ca -0.13 0.32 -0.00 0.00 -0.13 0.00 0.00 55.73 55.80 3ias s ARG 367 Cb 0.07 0.24 0.02 0.00 -1.56 0.00 0.00 34.95 33.72 3ias s ARG 367 CO 0.83 -0.09 -0.06 0.08 -0.81 0.00 0.00 175.30 175.24 3ias s VAL 368 N -0.24 0.90 0.01 7.11 1.01 -1.26 0.07 120.40 128.00 3ias s VAL 368 Ca -0.04 -0.22 0.06 0.00 0.00 0.00 0.00 61.98 61.78 3ias s VAL 368 Cb -0.03 -0.93 -0.03 0.00 0.00 0.00 0.00 36.38 35.39 3ias s VAL 368 CO 0.02 0.34 -0.18 -0.75 0.00 0.00 0.00 175.10 174.53 3ias s LYS 369 N 1.64 2.17 -0.14 2.72 2.36 -0.89 -4.64 119.74 122.96 3ias s LYS 369 Ca 0.03 -0.91 -0.00 0.00 -2.55 0.00 0.00 55.97 52.53 3ias s LYS 369 Cb -0.13 -2.21 -0.01 0.00 -1.05 0.00 0.00 37.83 34.43 3ias s LYS 369 CO -0.06 0.56 -0.13 0.08 1.55 0.00 0.00 175.35 177.35 3ias s VAL 370 N -0.84 2.99 -0.85 4.02 1.01 -1.26 -1.25 120.40 124.22 3ias s VAL 370 Ca 0.13 -0.68 -0.25 0.00 0.00 0.00 0.00 61.98 61.19 3ias s VAL 370 Cb -0.10 -2.26 0.04 0.00 0.00 0.00 0.00 36.38 34.06 3ias s VAL 370 CO 0.03 0.52 1.32 -0.60 0.00 0.00 0.00 175.10 176.37 3ias s ARG 371 N 0.47 3.35 -0.45 2.72 3.52 0.77 -4.95 118.95 124.37 3ias s ARG 371 Ca -0.10 -0.67 -0.27 0.00 -0.13 0.00 0.00 55.73 54.56 3ias s ARG 371 Cb -0.16 -4.66 0.03 0.00 -1.56 0.00 0.00 34.95 28.60 3ias s ARG 371 CO 0.05 -2.14 1.04 0.00 -0.81 0.00 0.00 175.30 173.44 3ias s ALA 372 N 5.24 3.22 0.24 6.12 0.00 -1.26 -3.55 121.76 131.77 3ias s ALA 372 Ca 0.38 -0.56 -0.05 0.00 0.00 0.00 0.00 51.96 51.73 3ias s ALA 372 Cb -0.05 -3.77 0.32 0.00 0.00 0.00 0.00 23.12 19.62 3ias s ALA 372 CO 0.04 -2.09 1.87 -1.00 0.00 0.00 0.00 175.76 174.58 3ias h PRO 373 N 9.05 1.04 0.00 0.00 0.13 -1.83 -1.45 132.00 138.94 3ias h PRO 373 Ca -0.23 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 3ias h PRO 373 Cb 1.07 -0.23 0.00 0.00 0.13 0.00 0.00 31.00 31.96 3ias h PRO 373 CO 1.08 0.69 0.00 0.43 -0.23 0.00 0.00 178.00 179.96 3ias n SER 374 N -4.56 0.00 -0.04 1.44 7.64 -1.26 -0.83 113.62 116.01 3ias n SER 374 Ca 0.12 -0.01 -0.22 0.00 1.01 0.00 0.00 58.87 59.77 3ias n SER 374 Cb 0.14 -0.27 -0.13 0.00 -1.01 0.00 0.00 64.21 62.94 3ias n SER 374 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 3ias h PHE 375 N 0.00 0.27 0.00 1.43 3.57 -1.54 -3.26 116.94 117.41 3ias h PHE 375 Ca 0.00 -0.20 -0.16 0.00 3.53 0.00 0.00 57.97 61.15 3ias h PHE 375 Cb 0.17 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.88 3ias h PHE 375 CO 0.00 1.62 -0.76 -0.39 -2.23 0.00 0.00 178.31 176.55 3ias h VAL 376 N -0.46 1.31 -0.40 1.41 -1.51 -1.45 -3.13 116.25 112.02 3ias h VAL 376 Ca -0.37 -2.83 0.02 0.00 -1.23 0.00 0.00 66.70 62.29 3ias h VAL 376 Cb 1.67 2.63 -0.02 0.00 -2.13 0.00 0.00 31.29 33.44 3ias h VAL 376 CO -0.05 0.74 0.26 0.78 -1.23 0.00 0.00 177.57 178.08 3ias h ASN 377 N 0.00 0.41 0.45 4.19 4.21 -1.14 -2.69 115.58 121.02 3ias h ASN 377 Ca -0.01 -0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.49 3ias h ASN 377 Cb 1.57 -0.10 0.00 0.00 -1.12 0.00 0.00 38.32 38.67 3ias h ASN 377 CO 0.10 0.29 0.00 -0.11 -1.29 0.00 0.00 177.43 176.42 3ias n LEU 378 N -4.48 0.00 0.20 1.61 7.94 -1.18 -2.19 117.00 118.90 3ias n LEU 378 Ca 0.03 0.33 0.10 0.00 -1.11 0.00 0.00 56.01 55.37 3ias n LEU 378 Cb 0.10 -0.33 0.14 0.00 0.53 0.00 0.00 43.42 43.86 3ias n LEU 378 CO 0.35 -0.10 0.71 1.56 -1.11 0.00 0.00 177.39 178.80 3ias h GLN 379 N 0.00 0.00 -1.92 1.96 4.20 -1.64 -3.25 115.11 114.46 3ias h GLN 379 Ca 0.00 0.00 -0.51 0.00 0.06 0.00 0.00 58.65 58.20 3ias h GLN 379 Cb 0.23 0.00 -0.18 0.00 0.30 0.00 0.00 27.48 27.82 3ias h GLN 379 CO 0.00 0.08 0.46 0.43 -0.67 0.00 0.00 178.83 179.13 3ias n SER 380 N -3.10 6.59 0.00 1.46 7.64 -0.93 -4.11 113.62 121.17 3ias n SER 380 Ca 0.03 -3.25 0.00 0.00 1.01 0.00 0.00 58.87 56.66 3ias n SER 380 Cb 0.56 -1.19 0.00 0.00 -1.01 0.00 0.00 64.21 62.57 3ias n SER 380 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 3ias n LEU 381 N 0.66 1.76 -0.08 -3.43 7.94 -1.23 -3.83 117.00 118.79 3ias n LEU 381 Ca 0.47 0.00 -0.06 0.00 -1.11 0.00 0.00 56.01 55.31 3ias n LEU 381 Cb 0.53 0.00 -0.00 0.00 0.53 0.00 0.00 43.42 44.48 3ias n LEU 381 CO 0.36 0.26 0.76 -0.65 -1.11 0.00 0.00 177.39 177.02 3ias h PRO 382 N 0.00 -0.09 -0.12 1.96 0.11 -1.76 -2.21 132.00 129.89 3ias h PRO 382 Ca 0.00 0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.11 3ias h PRO 382 Cb 0.77 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.89 3ias h PRO 382 CO 0.00 -0.06 0.06 -0.92 -0.21 0.00 0.00 178.00 176.87 3ias h TYR 383 N -0.09 0.17 -0.65 0.65 5.03 -1.84 -3.05 116.97 117.19 3ias h TYR 383 Ca 0.16 -0.01 0.06 0.00 2.58 0.00 0.00 58.73 61.52 3ias h TYR 383 Cb 0.34 -0.05 -0.08 0.00 1.55 0.00 0.00 36.73 38.48 3ias h TYR 383 CO -0.35 0.23 -0.38 0.00 -1.32 0.00 0.00 178.16 176.34 3ias n ALA 384 N -2.19 -0.42 -1.91 1.82 0.00 -0.86 -1.12 120.51 115.84 3ias n ALA 384 Ca -0.05 0.55 -0.33 0.00 0.00 0.00 0.00 53.44 53.61 3ias n ALA 384 Cb 0.09 -0.04 0.04 0.00 0.00 0.00 0.00 19.45 19.54 3ias n ALA 384 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ias s LYS 386 N -3.80 4.27 -1.24 0.00 2.47 -0.27 -3.64 119.74 117.53 3ias s LYS 386 Ca 0.54 1.90 0.00 0.00 -1.56 0.00 0.00 55.97 56.85 3ias s LYS 386 Cb 0.44 -3.66 0.00 0.00 -1.46 0.00 0.00 37.83 33.15 3ias s LYS 386 CO -0.17 -0.62 0.00 0.41 0.16 0.00 0.00 175.35 175.13 3ias n GLY 387 N 3.66 1.11 2.63 5.54 0.00 0.12 -4.91 105.19 113.35 3ias n GLY 387 Ca 0.13 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.96 3ias n GLY 387 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3ias n GLU 388 N -1.04 -0.71 -1.21 1.61 -0.58 -1.24 -4.11 120.64 113.36 3ias n GLU 388 Ca -0.12 -1.48 -0.29 0.00 -0.42 0.00 0.00 57.16 54.85 3ias n GLU 388 Cb 0.56 -0.85 0.20 0.00 -0.57 0.00 0.00 31.44 30.78 3ias n GLU 388 CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 3ias s GLN 389 N -4.85 -0.26 -0.24 3.49 2.00 -1.26 -3.06 119.66 115.48 3ias s GLN 389 Ca 0.50 0.17 0.02 0.00 -2.00 0.00 0.00 55.36 54.06 3ias s GLN 389 Cb -0.02 -1.69 -0.19 0.00 0.80 0.00 0.00 33.01 31.92 3ias s GLN 389 CO 0.35 -3.12 -0.14 0.28 -0.50 0.00 0.00 175.29 172.16 3ias n VAL 390 N -4.38 1.51 0.17 1.34 0.31 -1.26 -4.14 118.33 111.88 3ias n VAL 390 Ca 0.09 -0.60 0.04 0.00 -0.01 0.00 0.00 64.34 63.86 3ias n VAL 390 Cb 0.59 -1.38 0.19 0.00 -0.91 0.00 0.00 33.84 32.33 3ias n VAL 390 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 3ias n PRO 391 N -3.24 0.03 0.06 5.55 -0.02 -1.26 -0.57 135.00 135.55 3ias n PRO 391 Ca -0.43 0.46 0.12 0.00 -2.02 0.00 0.00 63.50 61.62 3ias n PRO 391 Cb 1.01 -1.59 0.18 0.00 -0.02 0.00 0.00 33.50 33.08 3ias n PRO 391 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3ias n ASP 392 N -1.66 0.69 0.00 2.55 8.00 -1.26 -4.25 116.55 120.62 3ias n ASP 392 Ca 0.01 0.11 0.10 0.00 0.71 0.00 0.00 54.79 55.72 3ias n ASP 392 Cb 0.06 0.15 0.53 0.00 -0.02 0.00 0.00 41.12 41.84 3ias n ASP 392 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61 3ias n MET 393 N -2.08 0.30 -0.04 -1.24 1.56 0.26 -2.14 117.12 113.75 3ias n MET 393 Ca 0.03 0.09 -0.00 0.00 -0.27 0.00 0.00 57.70 57.55 3ias n MET 393 Cb 0.43 -1.50 -0.00 0.00 2.15 0.00 0.00 33.22 34.30 3ias n MET 393 CO 0.00 0.00 0.00 0.28 -0.73 0.00 0.00 175.97 175.52 3ias h VAL 394 N 0.00 0.00 0.00 1.12 2.07 -1.76 -3.25 116.25 114.43 3ias h VAL 394 Ca 0.00 -0.71 0.00 0.00 0.82 0.00 0.00 66.70 66.81 3ias h VAL 394 Cb 0.20 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.97 3ias h VAL 394 CO 0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.59 3ias n ALA 395 N -2.60 1.57 0.06 1.67 0.00 -1.20 -1.75 120.51 118.27 3ias n ALA 395 Ca -0.00 -0.04 -0.14 0.00 0.00 0.00 0.00 53.44 53.26 3ias n ALA 395 Cb 0.01 -1.14 -0.14 0.00 0.00 0.00 0.00 19.45 18.19 3ias n ALA 395 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 3ias h ILE 396 N 0.00 1.31 0.14 0.00 6.09 -1.54 -2.99 117.51 120.52 3ias h ILE 396 Ca 0.00 -2.97 -0.26 0.00 -1.37 0.00 0.00 64.86 60.26 3ias h ILE 396 Cb 0.08 2.78 0.01 0.00 0.47 0.00 0.00 36.82 40.16 3ias h ILE 396 CO 0.00 0.83 -1.28 0.40 -3.07 0.00 0.00 178.15 175.03 3ias h ILE 397 N 0.05 1.17 0.00 2.19 2.04 -1.37 -3.33 117.51 118.25 3ias h ILE 397 Ca -0.18 -2.46 0.00 0.00 1.00 0.00 0.00 64.86 63.22 3ias h ILE 397 Cb 1.95 2.86 0.00 0.00 -0.74 0.00 0.00 36.82 40.90 3ias h ILE 397 CO 0.15 0.72 0.00 0.00 0.00 0.00 0.00 178.15 179.03 3ias h ALA 398 N 0.01 1.00 -0.01 1.87 0.00 -1.50 0.43 119.26 121.06 3ias h ALA 398 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3ias h ALA 398 Cb 1.78 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.57 3ias h ALA 398 CO 0.10 0.00 -0.18 -1.13 0.00 0.00 0.00 179.25 178.04 3ias n SER 399 N -2.53 1.10 0.08 0.00 3.41 -1.13 -3.06 113.62 111.49 3ias n SER 399 Ca -0.01 -1.02 0.10 0.00 -0.26 0.00 0.00 58.87 57.68 3ias n SER 399 Cb 0.10 0.08 -0.03 0.00 -0.26 0.00 0.00 64.21 64.10 3ias n SER 399 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3ias n LEU 400 N -0.47 0.75 -3.47 1.04 4.77 0.13 -4.82 117.00 114.94 3ias n LEU 400 Ca 0.14 0.29 -0.22 0.00 -0.03 0.00 0.00 56.01 56.20 3ias n LEU 400 Cb 0.34 -0.04 0.04 0.00 -2.33 0.00 0.00 43.42 41.44 3ias n LEU 400 CO 0.23 -0.14 0.01 -0.67 -1.33 0.00 0.00 177.39 175.50 3ias n ASP 401 N -2.65 -6.08 -4.81 -1.43 2.03 -1.17 -4.97 116.55 97.48 3ias n ASP 401 Ca -0.01 -0.79 -0.37 0.00 0.52 0.00 0.00 54.79 54.14 3ias n ASP 401 Cb 0.58 -4.11 -0.06 0.00 -0.72 0.00 0.00 41.12 36.81 3ias n ASP 401 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 3ias s PRO 402 N -5.00 4.31 -0.17 -0.67 0.04 -1.26 -4.91 135.00 127.33 3ias s PRO 402 Ca 0.37 0.90 -0.04 0.00 0.04 0.00 0.00 61.00 62.28 3ias s PRO 402 Cb -0.10 -3.05 -0.02 0.00 0.04 0.00 0.00 34.50 31.36 3ias s PRO 402 CO 0.81 0.49 -0.03 0.08 0.04 0.00 0.00 177.00 178.39 3ias s VAL 403 N -1.34 3.79 0.34 -0.36 1.01 -1.26 -5.03 120.40 117.54 3ias s VAL 403 Ca 0.38 -0.38 0.08 0.00 0.00 0.00 0.00 61.98 62.06 3ias s VAL 403 Cb -0.19 -2.68 0.09 0.00 0.00 0.00 0.00 36.38 33.61 3ias s VAL 403 CO 0.22 0.47 1.80 0.24 0.00 0.00 0.00 175.10 177.83 3ias h MET 404 N 7.10 0.21 0.00 2.72 2.86 -1.97 -0.35 114.93 125.51 3ias h MET 404 Ca -0.33 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.23 3ias h MET 404 Cb 1.19 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.83 3ias h MET 404 CO 0.61 0.49 0.00 0.78 1.06 0.00 0.00 176.91 179.85 3ias h GLY 405 N 1.02 0.00 0.00 8.32 0.00 -1.90 0.39 103.07 110.90 3ias h GLY 405 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.36 3ias h GLY 405 CO 0.04 0.00 -0.22 -1.80 0.00 0.00 0.00 176.54 174.56 3ias h ASP 406 N 0.00 0.00 -0.18 0.19 1.82 -0.76 -2.69 116.42 114.80 3ias h ASP 406 Ca 0.00 0.00 0.04 0.00 -0.39 0.00 0.00 57.03 56.68 3ias h ASP 406 Cb 0.30 0.00 -0.05 0.00 0.68 0.00 0.00 39.33 40.27 3ias h ASP 406 CO 0.00 0.53 -0.11 1.62 -1.61 0.00 0.00 179.24 179.67 3ias h VAL 407 N -0.84 0.68 0.28 2.25 3.04 -1.36 -3.31 116.25 116.99 3ias h VAL 407 Ca 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.68 3ias h VAL 407 Cb 0.22 0.68 0.00 0.00 -2.01 0.00 0.00 31.29 30.18 3ias h VAL 407 CO 0.00 0.00 -0.13 0.44 -1.01 0.00 0.00 177.57 176.87 3ias h ASP 408 N -0.10 -0.32 0.00 3.17 3.32 -1.11 -3.44 116.42 117.94 3ias h ASP 408 Ca 0.10 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.16 3ias h ASP 408 Cb 0.25 0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.88 3ias h ASP 408 CO -0.24 0.01 0.00 -2.11 -1.72 0.00 0.00 179.24 175.18