#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hll s PRO 6 N 0.00 1.19 -0.07 -0.14 0.04 -1.26 -5.03 135.00 129.73 3hll s PRO 6 Ca 0.00 0.64 -0.24 0.00 0.04 0.00 0.00 61.00 61.44 3hll s PRO 6 Cb 0.00 -1.82 -0.03 0.00 0.04 0.00 0.00 34.50 32.69 3hll s PRO 6 CO 0.00 -2.24 0.75 0.99 0.04 0.00 0.00 177.00 176.54 3hll s THR 7 N -3.03 5.00 0.07 1.26 2.01 -1.26 -4.98 115.64 114.72 3hll s THR 7 Ca 0.63 1.53 -0.01 0.00 0.31 0.00 0.00 61.69 64.15 3hll s THR 7 Cb -0.17 -4.08 -0.04 0.00 0.01 0.00 0.00 72.50 68.21 3hll s THR 7 CO 0.56 0.21 0.25 -0.36 -0.69 0.00 0.00 174.62 174.59 3hll s PHE 8 N 1.03 3.51 0.10 4.92 0.40 -1.26 -0.50 117.98 126.17 3hll s PHE 8 Ca 0.39 0.34 0.05 0.00 -0.60 0.00 0.00 56.93 57.11 3hll s PHE 8 Cb -0.18 -1.83 -0.03 0.00 0.51 0.00 0.00 43.02 41.49 3hll s PHE 8 CO 0.18 0.56 -0.14 1.52 0.70 0.00 0.00 175.22 178.04 3hll s TYR 9 N -1.53 1.28 -0.01 0.36 1.13 -0.44 -4.87 117.35 113.28 3hll s TYR 9 Ca 0.36 -0.52 0.06 0.00 -1.41 0.00 0.00 57.07 55.56 3hll s TYR 9 Cb -0.13 -0.70 -0.03 0.00 -1.10 0.00 0.00 41.96 40.01 3hll s TYR 9 CO 0.26 0.09 -0.20 0.50 -2.51 0.00 0.00 175.55 173.69 3hll s ARG 10 N -2.25 2.21 0.18 -3.49 3.52 -1.26 -2.26 118.95 115.59 3hll s ARG 10 Ca 0.03 -0.88 -0.19 0.00 -0.13 0.00 0.00 55.73 54.57 3hll s ARG 10 Cb -0.07 -2.19 0.04 0.00 -1.56 0.00 0.00 34.95 31.17 3hll s ARG 10 CO 0.02 0.57 0.54 1.14 -0.81 0.00 0.00 175.30 176.76 3hll s GLN 11 N -0.93 1.33 -0.14 5.12 -2.07 -0.46 -5.00 119.66 117.52 3hll s GLN 11 Ca 0.12 -0.75 -0.02 0.00 -1.82 0.00 0.00 55.36 52.89 3hll s GLN 11 Cb -0.10 0.54 -0.03 0.00 -1.09 0.00 0.00 33.01 32.33 3hll s GLN 11 CO 0.01 -0.57 -0.06 -2.00 -1.32 0.00 0.00 175.29 171.36 3hll s GLU 12 N -3.83 3.50 -0.22 9.60 2.12 -1.26 0.09 118.70 128.69 3hll s GLU 12 Ca 0.06 -0.56 -0.03 0.00 0.36 0.00 0.00 54.97 54.81 3hll s GLU 12 Cb -0.01 -2.81 0.07 0.00 0.26 0.00 0.00 34.13 31.64 3hll s GLU 12 CO -0.06 0.29 0.06 -0.51 -0.54 0.00 0.00 175.26 174.50 3hll s LEU 13 N 0.20 1.24 -0.98 2.70 1.43 0.14 -4.89 118.68 118.52 3hll s LEU 13 Ca -0.04 -1.01 -0.08 0.00 -1.03 0.00 0.00 54.13 51.97 3hll s LEU 13 Cb -0.14 -0.59 -0.03 0.00 0.03 0.00 0.00 46.19 45.46 3hll s LEU 13 CO 0.03 -0.34 0.81 0.59 0.23 0.00 0.00 176.35 177.67 3hll n ASN 14 N 5.05 -6.50 0.00 2.29 3.02 -1.26 -2.43 115.26 115.44 3hll n ASN 14 Ca -0.07 -0.65 0.00 0.00 -0.03 0.00 0.00 54.58 53.83 3hll n ASN 14 Cb 0.46 -4.55 0.00 0.00 -0.61 0.00 0.00 39.78 35.08 3hll n ASN 14 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 3hll n LYS 15 N -3.08 0.00 -3.39 3.52 3.00 -1.26 -4.94 118.16 112.01 3hll n LYS 15 Ca -0.07 0.00 -0.38 0.00 -0.00 0.00 0.00 58.31 57.86 3hll n LYS 15 Cb 0.59 -2.70 -0.06 0.00 0.00 0.00 0.00 35.03 32.86 3hll n LYS 15 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 3hll s THR 16 N -0.44 5.03 0.06 3.15 2.01 -1.02 -5.07 115.64 119.36 3hll s THR 16 Ca 0.00 0.95 -0.20 0.00 0.31 0.00 0.00 61.69 62.75 3hll s THR 16 Cb 0.00 -3.79 -0.06 0.00 0.01 0.00 0.00 72.50 68.66 3hll s THR 16 CO 0.00 0.48 0.58 -0.63 -0.69 0.00 0.00 174.62 174.37 3hll s ILE 17 N -0.46 4.75 -0.12 1.82 1.01 -1.26 0.26 121.20 127.19 3hll s ILE 17 Ca 0.25 1.25 -0.01 0.00 0.00 0.00 0.00 60.65 62.14 3hll s ILE 17 Cb -0.17 -3.92 0.03 0.00 0.01 0.00 0.00 42.46 38.42 3hll s ILE 17 CO 0.13 0.53 -0.06 0.26 0.00 0.00 0.00 174.94 175.80 3hll s TRP 18 N -0.94 1.43 -0.34 3.97 0.52 0.11 -4.96 118.94 118.73 3hll s TRP 18 Ca 0.30 -0.76 0.02 0.00 0.02 0.00 0.00 56.10 55.67 3hll s TRP 18 Cb -0.19 -1.20 0.09 0.00 -1.15 0.00 0.00 33.47 31.02 3hll s TRP 18 CO 0.19 -0.52 0.06 -1.21 0.02 0.00 0.00 176.95 175.49 3hll s GLU 19 N 1.73 1.74 0.10 4.98 2.02 -1.26 -1.35 118.70 126.66 3hll s GLU 19 Ca 0.04 -1.77 0.07 0.00 0.02 0.00 0.00 54.97 53.33 3hll s GLU 19 Cb -0.13 -3.25 -0.03 0.00 0.10 0.00 0.00 34.13 30.81 3hll s GLU 19 CO -0.08 -0.90 -0.18 0.14 0.02 0.00 0.00 175.26 174.26 3hll s VAL 20 N 1.00 1.53 0.54 2.63 -7.23 -0.96 -4.58 120.40 113.33 3hll s VAL 20 Ca 0.07 -1.53 -0.22 0.00 -1.81 0.00 0.00 61.98 58.49 3hll s VAL 20 Cb -0.20 -1.46 -0.06 0.00 0.56 0.00 0.00 36.38 35.23 3hll s VAL 20 CO -0.06 -0.16 1.28 -2.65 -0.31 0.00 0.00 175.10 173.19 3hll n PRO 21 N 1.01 1.58 0.33 4.82 -0.02 -1.26 -1.33 135.00 140.12 3hll n PRO 21 Ca -0.19 0.58 0.20 0.00 -2.02 0.00 0.00 63.50 62.07 3hll n PRO 21 Cb 0.54 -2.47 1.08 0.00 -0.02 0.00 0.00 33.50 32.63 3hll n PRO 21 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 3hll h GLU 22 N 1.36 0.00 -0.42 -0.52 4.11 -1.13 -1.74 114.58 116.25 3hll h GLU 22 Ca -0.50 0.00 0.12 0.00 0.07 0.00 0.00 59.36 59.05 3hll h GLU 22 Cb 1.31 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.55 3hll h GLU 22 CO 0.56 0.00 0.32 0.07 0.07 0.00 0.00 179.01 180.04 3hll h ARG 23 N 0.00 0.00 -5.05 1.06 0.11 -1.90 -3.39 114.38 105.21 3hll h ARG 23 Ca 0.01 0.00 -0.63 0.00 0.10 0.00 0.00 59.98 59.45 3hll h ARG 23 Cb 0.21 0.00 -0.16 0.00 1.11 0.00 0.00 29.97 31.13 3hll h ARG 23 CO -0.00 0.00 -0.35 0.71 0.10 0.00 0.00 179.97 180.43 3hll s TYR 24 N -4.94 3.24 0.25 4.08 1.51 -0.65 -0.38 117.35 120.46 3hll s TYR 24 Ca -0.05 0.29 0.10 0.00 -1.01 0.00 0.00 57.07 56.40 3hll s TYR 24 Cb 0.18 -2.49 -0.05 0.00 -0.11 0.00 0.00 41.96 39.49 3hll s TYR 24 CO 0.68 -0.20 -0.17 -0.65 -1.11 0.00 0.00 175.55 174.11 3hll s GLN 25 N 1.94 1.55 -1.29 -0.62 -1.52 0.60 -4.84 119.66 115.48 3hll s GLN 25 Ca 0.12 -1.71 -0.01 0.00 -1.95 0.00 0.00 55.36 51.81 3hll s GLN 25 Cb -0.16 -1.49 0.00 0.00 -0.22 0.00 0.00 33.01 31.15 3hll s GLN 25 CO 0.10 0.25 0.82 0.09 -0.25 0.00 0.00 175.29 176.31 3hll n ASN 26 N -0.53 -1.76 -4.76 5.90 3.02 -1.26 -0.59 115.26 115.27 3hll n ASN 26 Ca -0.06 -0.75 -0.41 0.00 -0.03 0.00 0.00 54.58 53.33 3hll n ASN 26 Cb 0.60 -4.42 -0.01 0.00 -0.61 0.00 0.00 39.78 35.34 3hll n ASN 26 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3hll s LEU 27 N -6.62 4.33 -0.06 3.41 1.02 -1.26 -4.45 118.68 115.05 3hll s LEU 27 Ca 0.05 2.99 -0.03 0.00 0.02 0.00 0.00 54.13 57.17 3hll s LEU 27 Cb -0.02 -3.64 0.04 0.00 0.02 0.00 0.00 46.19 42.58 3hll s LEU 27 CO 0.78 -0.92 0.11 -0.55 0.02 0.00 0.00 176.35 175.80 3hll s SER 28 N 0.33 0.93 0.18 2.29 0.15 0.32 -4.94 113.70 112.96 3hll s SER 28 Ca 0.61 0.21 -0.33 0.00 0.70 0.00 0.00 55.95 57.13 3hll s SER 28 Cb -0.48 0.07 -0.13 0.00 -1.71 0.00 0.00 66.02 63.77 3hll s SER 28 CO 0.52 -0.25 1.66 -2.65 1.20 0.00 0.00 173.24 173.72 3hll n PRO 29 N 5.30 2.48 -0.08 5.44 -0.02 -1.26 -0.15 135.00 146.69 3hll n PRO 29 Ca -0.04 0.89 0.06 0.00 -2.02 0.00 0.00 63.50 62.39 3hll n PRO 29 Cb 0.50 -2.70 0.10 0.00 -0.02 0.00 0.00 33.50 31.38 3hll n PRO 29 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 3hll n VAL 30 N 3.72 1.57 0.00 -1.45 0.24 0.70 -4.82 118.33 118.28 3hll n VAL 30 Ca 0.17 -1.73 0.00 0.00 -2.04 0.00 0.00 64.34 60.74 3hll n VAL 30 Cb 0.32 0.06 0.00 0.00 -1.47 0.00 0.00 33.84 32.75 3hll n VAL 30 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hll n GLY 31 N -0.93 3.18 3.82 7.63 0.00 -1.21 -4.93 105.19 112.76 3hll n GLY 31 Ca 0.11 -1.81 -0.37 0.00 0.00 0.00 0.00 46.02 43.95 3hll n GLY 31 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hll s SER 32 N 0.00 6.96 -0.17 1.61 0.01 -1.26 -2.19 113.70 118.66 3hll s SER 32 Ca 0.00 1.18 0.19 0.00 1.31 0.00 0.00 55.95 58.63 3hll s SER 32 Cb 0.00 -2.33 0.46 0.00 0.21 0.00 0.00 66.02 64.36 3hll s SER 32 CO 0.00 0.21 1.17 0.61 0.41 0.00 0.00 173.24 175.64 3hll n GLY 33 N 1.36 3.08 1.26 3.44 0.00 -1.00 -5.02 105.19 108.32 3hll n GLY 33 Ca -0.09 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.59 3hll n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hll n ALA 34 N -0.37 -2.56 -1.16 4.61 0.00 -1.26 -4.78 120.51 114.99 3hll n ALA 34 Ca 0.16 0.22 -0.06 0.00 0.00 0.00 0.00 53.44 53.76 3hll n ALA 34 Cb 0.92 -0.91 -0.02 0.00 0.00 0.00 0.00 19.45 19.44 3hll n ALA 34 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3hll n TYR 35 N 0.87 0.00 0.00 0.00 4.02 -1.26 -4.96 117.16 115.83 3hll n TYR 35 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 3hll n TYR 35 Cb 0.00 -1.35 0.00 0.00 -0.02 0.00 0.00 39.34 37.97 3hll n TYR 35 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3hll n GLY 36 N -1.99 2.21 3.43 2.72 0.00 -1.26 -1.39 105.19 108.91 3hll n GLY 36 Ca -0.06 -0.82 -0.29 0.00 0.00 0.00 0.00 46.02 44.85 3hll n GLY 36 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hll s SER 37 N 0.00 3.56 -0.05 1.61 0.01 -0.82 -2.36 113.70 115.64 3hll s SER 37 Ca 0.00 -0.65 0.05 0.00 1.31 0.00 0.00 55.95 56.66 3hll s SER 37 Cb 0.00 -0.37 -0.00 0.00 0.21 0.00 0.00 66.02 65.86 3hll s SER 37 CO 0.00 0.19 -0.19 -0.69 0.41 0.00 0.00 173.24 172.95 3hll s VAL 38 N -1.07 1.62 -0.01 3.43 1.01 -0.93 -0.87 120.40 123.58 3hll s VAL 38 Ca 0.15 -0.81 0.06 0.00 0.00 0.00 0.00 61.98 61.38 3hll s VAL 38 Cb -0.10 -1.39 -0.03 0.00 0.00 0.00 0.00 36.38 34.86 3hll s VAL 38 CO 0.07 0.46 -0.18 0.00 0.00 0.00 0.00 175.10 175.45 3hll s ALA 40 N -0.78 3.04 0.24 0.00 0.00 0.78 -0.42 121.76 124.62 3hll s ALA 40 Ca 0.12 0.51 -0.14 0.00 0.00 0.00 0.00 51.96 52.45 3hll s ALA 40 Cb -0.10 -3.19 0.00 0.00 0.00 0.00 0.00 23.12 19.82 3hll s ALA 40 CO 0.02 -0.00 0.49 0.00 0.00 0.00 0.00 175.76 176.26 3hll s ALA 41 N -1.97 -0.38 -0.17 0.00 0.00 0.42 -0.52 121.76 119.13 3hll s ALA 41 Ca 0.61 -0.76 -0.03 0.00 0.00 0.00 0.00 51.96 51.77 3hll s ALA 41 Cb -0.14 1.01 -0.02 0.00 0.00 0.00 0.00 23.12 23.97 3hll s ALA 41 CO 0.18 -0.85 -0.05 0.12 0.00 0.00 0.00 175.76 175.16 3hll s PHE 42 N -3.99 2.96 -0.46 0.00 5.36 0.24 -1.08 117.98 121.01 3hll s PHE 42 Ca 0.20 -0.55 -0.20 0.00 -0.96 0.00 0.00 56.93 55.42 3hll s PHE 42 Cb -0.01 -1.99 0.03 0.00 -0.34 0.00 0.00 43.02 40.72 3hll s PHE 42 CO 0.07 -0.23 0.61 0.34 -1.46 0.00 0.00 175.22 174.55 3hll s ASP 43 N 0.73 6.27 0.41 6.13 2.15 -0.14 -0.29 116.67 131.93 3hll s ASP 43 Ca -0.02 -0.57 0.19 0.00 0.43 0.00 0.00 52.55 52.58 3hll s ASP 43 Cb -0.15 -2.30 0.90 0.00 -0.30 0.00 0.00 42.92 41.08 3hll s ASP 43 CO 0.02 -0.80 1.86 0.71 -0.17 0.00 0.00 175.17 176.79 3hll h THR 44 N 5.85 0.92 -0.28 1.71 1.35 -1.02 0.16 112.91 121.59 3hll h THR 44 Ca -0.26 -1.17 -0.13 0.00 -0.55 0.00 0.00 66.41 64.30 3hll h THR 44 Cb 1.10 1.69 -0.00 0.00 -1.73 0.00 0.00 68.15 69.20 3hll h THR 44 CO 0.90 0.30 -0.34 0.50 -0.25 0.00 0.00 175.52 176.63 3hll h LYS 45 N 0.00 0.73 0.01 4.72 3.64 -1.92 -3.34 116.57 120.40 3hll h LYS 45 Ca -0.00 -0.41 -0.35 0.00 -1.27 0.00 0.00 60.65 58.62 3hll h LYS 45 Cb 0.67 0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 32.45 3hll h LYS 45 CO 0.04 1.03 -2.18 0.25 -2.27 0.00 0.00 179.45 176.31 3hll n THR 46 N -4.22 1.48 -0.49 1.00 -2.24 -1.15 -4.99 114.28 103.67 3hll n THR 46 Ca -0.04 -0.81 0.00 0.00 -2.27 0.00 0.00 64.05 60.93 3hll n THR 46 Cb 0.50 -0.76 0.00 0.00 -2.10 0.00 0.00 70.33 67.98 3hll n THR 46 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hll n GLY 47 N 1.75 0.75 3.87 3.38 0.00 0.54 -5.07 105.19 110.41 3hll n GLY 47 Ca -0.29 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.40 3hll n GLY 47 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hll s LEU 48 N 0.00 4.21 -0.05 0.99 1.43 -1.20 -4.87 118.68 119.19 3hll s LEU 48 Ca 0.00 0.91 -0.27 0.00 -1.03 0.00 0.00 54.13 53.74 3hll s LEU 48 Cb 0.00 -3.56 -0.03 0.00 0.03 0.00 0.00 46.19 42.64 3hll s LEU 48 CO 0.00 -0.02 0.86 -0.13 0.23 0.00 0.00 176.35 177.29 3hll s ARG 49 N -2.63 4.47 0.18 1.70 0.52 -1.26 -0.96 118.95 120.96 3hll s ARG 49 Ca 0.45 1.17 0.08 0.00 -0.52 0.00 0.00 55.73 56.91 3hll s ARG 49 Cb -0.12 -3.48 -0.04 0.00 0.52 0.00 0.00 34.95 31.83 3hll s ARG 49 CO 0.21 -0.07 -0.16 0.14 0.02 0.00 0.00 175.30 175.45 3hll s VAL 50 N 1.17 1.70 -0.17 3.52 -7.23 -0.24 -1.44 120.40 117.71 3hll s VAL 50 Ca 0.45 -2.03 -0.07 0.00 -1.81 0.00 0.00 61.98 58.52 3hll s VAL 50 Cb -0.19 -1.89 -0.04 0.00 0.56 0.00 0.00 36.38 34.82 3hll s VAL 50 CO 0.22 -0.47 0.05 0.00 -0.31 0.00 0.00 175.10 174.58 3hll s ALA 51 N -2.53 3.37 -0.18 1.32 0.00 0.76 -0.44 121.76 124.06 3hll s ALA 51 Ca 0.18 -0.75 -0.01 0.00 0.00 0.00 0.00 51.96 51.37 3hll s ALA 51 Cb -0.03 -1.85 -0.00 0.00 0.00 0.00 0.00 23.12 21.24 3hll s ALA 51 CO 0.06 0.23 -0.11 0.08 0.00 0.00 0.00 175.76 176.03 3hll s VAL 52 N 0.22 2.97 -0.22 0.00 1.01 0.44 -1.54 120.40 123.28 3hll s VAL 52 Ca 0.03 -0.65 -0.05 0.00 0.00 0.00 0.00 61.98 61.31 3hll s VAL 52 Cb -0.12 -2.30 -0.02 0.00 0.00 0.00 0.00 36.38 33.94 3hll s VAL 52 CO 0.01 0.48 0.00 -0.75 0.00 0.00 0.00 175.10 174.84 3hll s LYS 53 N 1.06 3.55 -0.30 2.72 2.20 0.40 -0.85 119.74 128.53 3hll s LYS 53 Ca -0.00 -0.54 -0.13 0.00 -0.36 0.00 0.00 55.97 54.93 3hll s LYS 53 Cb -0.15 -3.11 -0.03 0.00 -1.51 0.00 0.00 37.83 33.03 3hll s LYS 53 CO -0.02 -0.09 0.29 0.21 -0.36 0.00 0.00 175.35 175.38 3hll s LYS 54 N 1.26 3.81 0.32 4.03 2.20 -0.05 -0.88 119.74 130.44 3hll s LYS 54 Ca 0.04 -0.28 -0.29 0.00 -0.36 0.00 0.00 55.97 55.08 3hll s LYS 54 Cb -0.15 -3.71 -0.10 0.00 -1.51 0.00 0.00 37.83 32.36 3hll s LYS 54 CO 0.01 -0.33 1.33 -0.51 -0.36 0.00 0.00 175.35 175.49 3hll s LEU 55 N 1.91 4.42 -0.16 5.43 1.43 -0.61 -1.95 118.68 129.15 3hll s LEU 55 Ca 0.10 2.69 -0.23 0.00 -1.03 0.00 0.00 54.13 55.67 3hll s LEU 55 Cb -0.16 -3.65 -0.02 0.00 0.03 0.00 0.00 46.19 42.39 3hll s LEU 55 CO 0.11 -0.57 0.72 -0.44 0.23 0.00 0.00 176.35 176.40 3hll s SER 56 N -0.34 6.84 -1.22 2.29 0.01 -0.48 -4.49 113.70 116.30 3hll s SER 56 Ca 0.50 1.02 -0.24 0.00 1.31 0.00 0.00 55.95 58.55 3hll s SER 56 Cb -0.40 -2.40 0.02 0.00 0.21 0.00 0.00 66.02 63.45 3hll s SER 56 CO 0.52 -0.29 0.66 0.54 0.41 0.00 0.00 173.24 175.08 3hll n ARG 57 N 4.89 -0.99 0.28 12.44 5.12 -1.26 -4.78 116.66 132.36 3hll n ARG 57 Ca 0.01 0.26 0.14 0.00 -1.93 0.00 0.00 57.85 56.33 3hll n ARG 57 Cb 0.50 -3.44 0.83 0.00 -1.16 0.00 0.00 32.46 29.18 3hll n ARG 57 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 3hll h PRO 58 N -2.21 0.00 -0.37 5.56 0.13 -1.82 -2.90 132.00 130.39 3hll h PRO 58 Ca -0.68 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.17 3hll h PRO 58 Cb 1.38 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.27 3hll h PRO 58 CO 0.53 0.06 -0.73 1.19 -0.23 0.00 0.00 178.00 178.82 3hll n PHE 59 N -3.75 1.33 0.14 1.56 3.01 -1.26 -2.19 117.46 116.29 3hll n PHE 59 Ca -0.02 -1.80 0.00 0.00 1.01 0.00 0.00 57.45 56.64 3hll n PHE 59 Cb 0.15 -0.28 0.29 0.00 -0.01 0.00 0.00 39.48 39.63 3hll n PHE 59 CO 0.00 0.00 0.00 0.37 1.01 0.00 0.00 176.76 178.14 3hll h GLN 60 N 1.65 0.11 -3.31 -1.08 4.15 -1.86 -3.46 115.11 111.31 3hll h GLN 60 Ca 0.14 -0.05 -0.05 0.00 0.77 0.00 0.00 58.65 59.46 3hll h GLN 60 Cb 1.32 -0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.97 3hll h GLN 60 CO 0.36 0.50 0.11 -1.54 -1.93 0.00 0.00 178.83 176.33 3hll s SER 61 N -6.90 0.08 0.25 -0.69 1.04 -1.26 -5.01 113.70 101.21 3hll s SER 61 Ca -0.03 -1.03 -0.06 0.00 0.48 0.00 0.00 55.95 55.30 3hll s SER 61 Cb 0.14 0.74 0.27 0.00 0.10 0.00 0.00 66.02 67.27 3hll s SER 61 CO 0.75 -1.44 1.92 0.40 0.98 0.00 0.00 173.24 175.84 3hll h ILE 62 N 2.06 1.23 -0.13 -1.02 2.04 -1.94 -0.68 117.51 119.07 3hll h ILE 62 Ca -0.27 -0.45 0.01 0.00 1.00 0.00 0.00 64.86 65.15 3hll h ILE 62 Cb 1.25 -0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 3hll h ILE 62 CO 0.35 0.24 0.07 0.40 0.00 0.00 0.00 178.15 179.20 3hll h ILE 63 N 1.30 1.00 -0.29 -0.67 1.08 -1.97 0.25 117.51 118.20 3hll h ILE 63 Ca 0.37 -0.05 -0.02 0.00 -0.39 0.00 0.00 64.86 64.77 3hll h ILE 63 Cb -0.11 0.84 -0.01 0.00 -3.07 0.00 0.00 36.82 34.47 3hll h ILE 63 CO -0.09 0.03 0.11 0.45 -0.69 0.00 0.00 178.15 177.96 3hll h HIS 64 N 0.15 0.46 -0.34 1.37 3.86 -1.80 -0.40 115.15 118.45 3hll h HIS 64 Ca 0.05 -0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 3hll h HIS 64 Cb 0.01 -0.14 -0.02 0.00 1.06 0.00 0.00 27.41 28.32 3hll h HIS 64 CO -0.09 0.46 0.22 0.00 0.86 0.00 0.00 177.93 179.38 3hll h ALA 65 N 0.95 0.43 -0.77 2.45 0.00 -0.62 0.12 119.26 121.81 3hll h ALA 65 Ca 0.10 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 3hll h ALA 65 Cb 0.20 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3hll h ALA 65 CO -0.01 -0.10 0.31 -0.22 0.00 0.00 0.00 179.25 179.24 3hll h LYS 66 N 0.45 1.15 -0.45 0.00 3.64 -0.94 -1.77 116.57 118.66 3hll h LYS 66 Ca 0.12 -0.21 -0.02 0.00 -1.27 0.00 0.00 60.65 59.28 3hll h LYS 66 Cb -0.03 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 31.58 3hll h LYS 66 CO -0.03 0.93 0.21 -0.09 -2.27 0.00 0.00 179.45 178.20 3hll h ARG 67 N 1.12 0.65 -0.26 1.90 2.43 -0.60 -0.21 114.38 119.41 3hll h ARG 67 Ca 0.26 -0.10 0.03 0.00 -0.81 0.00 0.00 59.98 59.36 3hll h ARG 67 Cb 0.21 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.61 3hll h ARG 67 CO -0.02 0.57 0.06 1.15 -1.51 0.00 0.00 179.97 180.21 3hll h THR 68 N 0.58 0.89 -0.06 0.20 2.02 -0.62 -0.96 112.91 114.95 3hll h THR 68 Ca 0.15 -0.06 0.02 0.00 0.77 0.00 0.00 66.41 67.29 3hll h THR 68 Cb 0.14 0.71 -0.02 0.00 -1.74 0.00 0.00 68.15 67.24 3hll h THR 68 CO -0.02 0.03 -0.04 0.22 0.37 0.00 0.00 175.52 176.08 3hll h TYR 69 N 0.16 -0.09 -0.51 3.16 3.20 -1.09 -2.03 116.97 119.78 3hll h TYR 69 Ca 0.12 0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.06 3hll h TYR 69 Cb 0.12 0.05 -0.06 0.00 1.54 0.00 0.00 36.73 38.38 3hll h TYR 69 CO -0.16 -0.06 0.19 -0.09 -1.64 0.00 0.00 178.16 176.41 3hll h ARG 70 N -0.04 0.37 -0.49 1.82 2.43 -0.84 0.08 114.38 117.71 3hll h ARG 70 Ca 0.04 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.09 3hll h ARG 70 Cb 0.09 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.54 3hll h ARG 70 CO -0.08 0.24 -0.07 1.49 -1.51 0.00 0.00 179.97 180.04 3hll h GLU 71 N 0.38 0.90 -0.19 0.20 4.81 -1.04 -0.03 114.58 119.62 3hll h GLU 71 Ca 0.24 -0.32 -0.01 0.00 -0.13 0.00 0.00 59.36 59.14 3hll h GLU 71 Cb 0.25 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 3hll h GLU 71 CO -0.24 0.97 0.07 1.25 -0.73 0.00 0.00 179.01 180.33 3hll h LEU 72 N 0.76 0.26 -0.46 1.64 5.85 -1.05 -0.57 115.31 121.74 3hll h LEU 72 Ca 0.13 -0.18 0.05 0.00 0.84 0.00 0.00 57.88 58.72 3hll h LEU 72 Cb 0.60 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.52 3hll h LEU 72 CO 0.04 0.38 0.19 0.03 -0.34 0.00 0.00 178.44 178.74 3hll h ARG 73 N 0.13 0.38 -0.08 1.25 2.47 -0.85 -0.38 114.38 117.30 3hll h ARG 73 Ca 0.06 -0.02 -0.00 0.00 -1.26 0.00 0.00 59.98 58.76 3hll h ARG 73 Cb 0.20 -0.09 -0.00 0.00 -1.65 0.00 0.00 29.97 28.43 3hll h ARG 73 CO -0.00 0.25 0.04 -0.07 0.56 0.00 0.00 179.97 180.75 3hll h LEU 74 N 0.39 0.10 -0.96 3.04 3.38 -0.88 -2.36 115.31 118.02 3hll h LEU 74 Ca 0.21 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 58.04 3hll h LEU 74 Cb 0.18 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 3hll h LEU 74 CO -0.19 0.14 0.02 -0.07 0.09 0.00 0.00 178.44 178.43 3hll h LEU 75 N 0.04 0.74 -1.42 1.67 3.38 -0.86 -1.41 115.31 117.45 3hll h LEU 75 Ca 0.03 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 57.78 3hll h LEU 75 Cb 0.07 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 3hll h LEU 75 CO -0.00 0.80 -0.22 0.11 0.09 0.00 0.00 178.44 179.22 3hll h LYS 76 N 0.73 0.00 0.18 1.13 1.57 -1.03 -3.21 116.57 115.93 3hll h LYS 76 Ca 0.15 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.61 3hll h LYS 76 Cb 0.42 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.74 3hll h LYS 76 CO 0.02 0.22 -1.49 1.25 -0.57 0.00 0.00 179.45 178.87 3hll h HIS 77 N 0.00 0.68 -3.22 -1.35 2.76 -0.75 -3.46 115.15 109.81 3hll h HIS 77 Ca -0.00 -0.49 -0.57 0.00 -2.20 0.00 0.00 60.37 57.11 3hll h HIS 77 Cb 0.60 -0.03 -0.05 0.00 1.55 0.00 0.00 27.41 29.48 3hll h HIS 77 CO 0.00 1.47 1.04 -1.64 -1.30 0.00 0.00 177.93 177.50 3hll s MET 78 N -2.61 3.70 -0.53 5.26 -1.94 -0.63 -4.93 119.30 117.62 3hll s MET 78 Ca -0.09 1.07 0.04 0.00 -1.71 0.00 0.00 55.69 54.99 3hll s MET 78 Cb 0.06 -3.97 0.16 0.00 2.01 0.00 0.00 34.83 33.08 3hll s MET 78 CO 0.89 -1.40 0.37 0.15 -0.01 0.00 0.00 175.02 175.02 3hll s LYS 79 N 4.66 1.62 -0.16 2.03 1.02 -1.26 -4.41 119.74 123.24 3hll s LYS 79 Ca 0.60 -2.56 -0.20 0.00 0.02 0.00 0.00 55.97 53.82 3hll s LYS 79 Cb -0.15 -2.47 0.05 0.00 -0.52 0.00 0.00 37.83 34.74 3hll s LYS 79 CO 0.29 -1.28 0.54 -1.58 -0.92 0.00 0.00 175.35 172.40 3hll s HIS 80 N -0.44 -0.56 0.52 3.18 2.46 -1.26 -5.06 115.29 114.13 3hll s HIS 80 Ca 0.25 1.26 0.20 0.00 0.47 0.00 0.00 55.06 57.24 3hll s HIS 80 Cb -0.08 0.23 1.37 0.00 -0.13 0.00 0.00 32.58 33.97 3hll s HIS 80 CO -0.13 -0.36 2.14 0.93 -2.47 0.00 0.00 174.74 174.86 3hll h GLU 81 N 4.71 0.00 -0.40 2.88 3.07 -1.98 -2.07 114.58 120.80 3hll h GLU 81 Ca -0.28 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.58 3hll h GLU 81 Cb 1.17 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.08 3hll h GLU 81 CO 0.23 0.04 0.00 0.09 -1.40 0.00 0.00 179.01 177.97 3hll n ASN 82 N -4.28 4.68 -3.97 1.42 5.03 -1.26 -4.73 115.26 112.15 3hll n ASN 82 Ca -0.03 -2.97 -0.19 0.00 0.87 0.00 0.00 54.58 52.26 3hll n ASN 82 Cb 0.12 -0.60 -0.15 0.00 -1.02 0.00 0.00 39.78 38.13 3hll n ASN 82 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3hll s VAL 83 N -2.78 0.65 0.18 2.41 1.01 -0.78 -1.29 120.40 119.80 3hll s VAL 83 Ca 0.48 -0.28 -0.31 0.00 0.00 0.00 0.00 61.98 61.86 3hll s VAL 83 Cb 0.37 -0.60 -0.10 0.00 0.00 0.00 0.00 36.38 36.05 3hll s VAL 83 CO 0.12 0.22 1.59 -0.63 0.00 0.00 0.00 175.10 176.40 3hll s ILE 84 N 0.29 2.49 0.43 2.22 -1.09 -0.84 -4.46 121.20 120.24 3hll s ILE 84 Ca -0.04 0.35 0.03 0.00 -2.23 0.00 0.00 60.65 58.76 3hll s ILE 84 Cb -0.09 -3.23 -0.01 0.00 -1.58 0.00 0.00 42.46 37.56 3hll s ILE 84 CO 0.00 0.03 0.11 0.61 -1.23 0.00 0.00 174.94 174.46 3hll n GLY 85 N 3.65 3.34 3.54 6.18 0.00 -1.26 -4.82 105.19 115.82 3hll n GLY 85 Ca 0.14 -2.18 -0.37 0.00 0.00 0.00 0.00 46.02 43.60 3hll n GLY 85 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hll s LEU 86 N 0.00 3.77 0.06 0.99 1.43 -1.23 -4.50 118.68 119.20 3hll s LEU 86 Ca 0.15 -0.07 0.08 0.00 -1.03 0.00 0.00 54.13 53.26 3hll s LEU 86 Cb 0.01 -2.02 -0.22 0.00 0.03 0.00 0.00 46.19 43.98 3hll s LEU 86 CO 0.11 -0.01 1.07 -0.07 0.23 0.00 0.00 176.35 177.67 3hll h LEU 87 N 8.09 0.03 -7.00 1.79 3.38 -1.06 -3.41 115.31 117.12 3hll h LEU 87 Ca -0.37 -0.04 0.04 0.00 0.09 0.00 0.00 57.88 57.60 3hll h LEU 87 Cb 1.18 -0.01 -0.20 0.00 0.09 0.00 0.00 40.66 41.72 3hll h LEU 87 CO 0.58 1.03 0.41 -0.62 0.09 0.00 0.00 178.44 179.94 3hll s ASP 88 N -6.55 -0.46 -0.03 -0.43 2.15 -1.17 -4.65 116.67 105.53 3hll s ASP 88 Ca -0.01 0.39 -0.02 0.00 0.43 0.00 0.00 52.55 53.33 3hll s ASP 88 Cb 0.09 0.40 0.02 0.00 -0.30 0.00 0.00 42.92 43.13 3hll s ASP 88 CO 0.82 -0.51 0.08 0.54 -0.17 0.00 0.00 175.17 175.93 3hll s VAL 89 N -1.70 -0.02 0.11 1.11 0.11 -1.26 -1.21 120.40 117.54 3hll s VAL 89 Ca -0.03 0.07 -0.15 0.00 -2.93 0.00 0.00 61.98 58.95 3hll s VAL 89 Cb -0.00 -0.13 0.03 0.00 -1.53 0.00 0.00 36.38 34.74 3hll s VAL 89 CO 0.01 0.03 0.36 0.72 -3.33 0.00 0.00 175.10 172.89 3hll s PHE 90 N 0.44 -0.14 0.01 1.54 -0.12 -0.75 -4.96 117.98 114.01 3hll s PHE 90 Ca -0.03 -0.19 0.01 0.00 -0.05 0.00 0.00 56.93 56.67 3hll s PHE 90 Cb -0.05 0.19 -0.01 0.00 -0.63 0.00 0.00 43.02 42.53 3hll s PHE 90 CO -0.02 -0.66 -0.04 -0.08 -0.05 0.00 0.00 175.22 174.37 3hll s THR 91 N -3.75 0.29 -0.37 -4.49 -1.32 -1.26 -1.23 115.64 103.50 3hll s THR 91 Ca 0.03 -0.45 0.26 0.00 -1.21 0.00 0.00 61.69 60.32 3hll s THR 91 Cb 0.02 -0.30 0.28 0.00 -1.51 0.00 0.00 72.50 70.99 3hll s THR 91 CO -0.11 -0.11 1.78 1.55 -2.21 0.00 0.00 174.62 175.51 3hll h PRO 92 N 5.52 0.00 -6.91 7.08 0.13 -1.82 -3.45 132.00 132.55 3hll h PRO 92 Ca -0.29 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.31 3hll h PRO 92 Cb 1.20 0.00 0.09 0.00 0.13 0.00 0.00 31.00 32.42 3hll h PRO 92 CO 0.47 0.00 0.73 0.00 -0.23 0.00 0.00 178.00 178.97 3hll s ALA 93 N -3.38 3.55 -2.16 -0.56 0.00 -1.26 -4.94 121.76 113.02 3hll s ALA 93 Ca 0.04 1.44 0.20 0.00 0.00 0.00 0.00 51.96 53.65 3hll s ALA 93 Cb 0.09 -3.56 0.35 0.00 0.00 0.00 0.00 23.12 20.01 3hll s ALA 93 CO 0.45 -0.88 1.30 -2.13 0.00 0.00 0.00 175.76 174.49 3hll n ARG 94 N 0.73 2.28 -3.87 0.00 0.63 -1.26 -4.94 116.66 110.23 3hll n ARG 94 Ca 0.01 -2.10 -0.08 0.00 -0.92 0.00 0.00 57.85 54.77 3hll n ARG 94 Cb 0.40 -1.44 -0.02 0.00 0.45 0.00 0.00 32.46 31.85 3hll n ARG 94 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 3hll s SER 95 N -1.38 -0.19 0.11 6.15 1.04 -1.26 -5.04 113.70 113.13 3hll s SER 95 Ca 0.33 -0.73 -0.16 0.00 0.48 0.00 0.00 55.95 55.87 3hll s SER 95 Cb 0.20 0.73 -0.04 0.00 0.10 0.00 0.00 66.02 67.00 3hll s SER 95 CO 0.27 -1.38 1.54 0.25 0.98 0.00 0.00 173.24 174.90 3hll h LEU 96 N 2.03 0.63 -1.73 2.42 5.85 -1.96 -2.28 115.31 120.26 3hll h LEU 96 Ca -0.22 -0.33 -0.02 0.00 0.84 0.00 0.00 57.88 58.15 3hll h LEU 96 Cb 1.25 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.10 3hll h LEU 96 CO 0.27 0.81 -0.03 1.05 -0.34 0.00 0.00 178.44 180.20 3hll h GLU 97 N 0.43 0.13 0.00 1.25 9.09 -2.02 -1.71 114.58 121.75 3hll h GLU 97 Ca 0.09 -0.02 0.00 0.00 0.05 0.00 0.00 59.36 59.49 3hll h GLU 97 Cb 0.50 -0.02 0.00 0.00 -1.65 0.00 0.00 28.75 27.58 3hll h GLU 97 CO 0.02 0.17 -0.21 -1.91 0.05 0.00 0.00 179.01 177.13 3hll n GLU 98 N -4.43 0.06 -2.16 1.06 2.13 -1.11 -4.90 120.64 111.30 3hll n GLU 98 Ca -0.01 0.04 -0.43 0.00 0.66 0.00 0.00 57.16 57.41 3hll n GLU 98 Cb 0.16 -1.56 -0.02 0.00 0.27 0.00 0.00 31.44 30.28 3hll n GLU 98 CO 0.00 0.00 0.00 0.12 -0.41 0.00 0.00 177.13 176.84 3hll s PHE 99 N -3.03 2.17 0.00 4.31 5.99 -0.65 -4.69 117.98 122.08 3hll s PHE 99 Ca 0.12 0.61 0.00 0.00 0.00 0.00 0.00 56.93 57.66 3hll s PHE 99 Cb 0.17 -4.02 0.00 0.00 0.00 0.00 0.00 43.02 39.17 3hll s PHE 99 CO 0.61 -2.69 0.22 -1.71 -0.00 0.00 0.00 175.22 171.65 3hll n ASN 100 N 8.59 0.00 -3.82 6.13 5.15 -1.26 -5.04 115.26 125.00 3hll n ASN 100 Ca 0.19 -1.00 -0.13 0.00 -0.60 0.00 0.00 54.58 53.04 3hll n ASN 100 Cb 0.46 0.00 -0.13 0.00 -0.53 0.00 0.00 39.78 39.57 3hll n ASN 100 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 3hll s ASP 101 N 0.00 -0.09 -0.10 1.20 1.01 -1.26 -4.61 116.67 112.81 3hll s ASP 101 Ca 0.00 0.20 0.02 0.00 0.71 0.00 0.00 52.55 53.48 3hll s ASP 101 Cb 0.00 0.18 0.01 0.00 1.01 0.00 0.00 42.92 44.12 3hll s ASP 101 CO 0.00 -0.05 -0.16 -0.69 0.21 0.00 0.00 175.17 174.48 3hll s VAL 102 N 0.25 1.52 -0.07 -1.27 1.01 -1.26 -4.55 120.40 116.04 3hll s VAL 102 Ca -0.02 -0.67 0.02 0.00 0.00 0.00 0.00 61.98 61.31 3hll s VAL 102 Cb -0.03 -1.38 -0.02 0.00 0.00 0.00 0.00 36.38 34.95 3hll s VAL 102 CO -0.01 0.44 -0.12 -0.31 0.00 0.00 0.00 175.10 175.11 3hll s TYR 103 N 0.87 2.79 -0.03 5.22 1.51 -0.37 -1.57 117.35 125.77 3hll s TYR 103 Ca -0.09 -0.21 0.07 0.00 -1.01 0.00 0.00 57.07 55.83 3hll s TYR 103 Cb -0.15 -1.70 -0.01 0.00 -0.11 0.00 0.00 41.96 39.98 3hll s TYR 103 CO 0.00 0.14 -0.23 -0.51 -1.11 0.00 0.00 175.55 173.84 3hll s LEU 104 N -0.51 2.04 -0.05 -1.29 1.43 -0.06 -1.80 118.68 118.43 3hll s LEU 104 Ca 0.07 -0.44 0.03 0.00 -1.03 0.00 0.00 54.13 52.76 3hll s LEU 104 Cb -0.12 -1.23 0.01 0.00 0.03 0.00 0.00 46.19 44.88 3hll s LEU 104 CO 0.02 0.26 -0.13 0.68 0.23 0.00 0.00 176.35 177.41 3hll s VAL 105 N -0.36 1.11 0.17 -1.59 -7.23 -0.35 -0.45 120.40 111.70 3hll s VAL 105 Ca 0.04 -0.51 -0.01 0.00 -1.81 0.00 0.00 61.98 59.69 3hll s VAL 105 Cb -0.11 -0.99 -0.04 0.00 0.56 0.00 0.00 36.38 35.80 3hll s VAL 105 CO 0.01 0.34 0.09 0.28 -0.31 0.00 0.00 175.10 175.51 3hll s THR 106 N 0.36 0.08 0.20 5.32 -1.32 -0.59 -0.36 115.64 119.32 3hll s THR 106 Ca -0.08 -1.96 -0.31 0.00 -1.21 0.00 0.00 61.69 58.12 3hll s THR 106 Cb -0.13 -2.30 -0.11 0.00 -1.51 0.00 0.00 72.50 68.46 3hll s THR 106 CO 0.02 -0.21 1.59 -1.00 -2.21 0.00 0.00 174.62 172.81 3hll s HIS 107 N -4.09 3.00 0.19 9.09 3.76 -1.26 -0.17 115.29 125.81 3hll s HIS 107 Ca 0.32 0.63 -0.30 0.00 -0.15 0.00 0.00 55.06 55.56 3hll s HIS 107 Cb 0.07 -3.97 -0.08 0.00 1.11 0.00 0.00 32.58 29.71 3hll s HIS 107 CO 0.07 -3.54 1.24 -1.17 -0.85 0.00 0.00 174.74 170.50 3hll s LEU 108 N 0.81 4.44 -0.20 0.89 2.96 -0.52 -4.54 118.68 122.52 3hll s LEU 108 Ca 0.69 2.31 -0.13 0.00 -0.22 0.00 0.00 54.13 56.78 3hll s LEU 108 Cb -0.45 -3.61 -0.08 0.00 0.50 0.00 0.00 46.19 42.55 3hll s LEU 108 CO 0.34 -0.44 -0.30 0.23 -1.32 0.00 0.00 176.35 174.87 3hll n MET 109 N 2.50 0.48 -0.09 1.98 2.81 -1.26 -4.91 117.12 118.64 3hll n MET 109 Ca 0.05 0.20 0.00 0.00 -1.81 0.00 0.00 57.70 56.14 3hll n MET 109 Cb 0.44 -1.32 0.00 0.00 -0.71 0.00 0.00 33.22 31.63 3hll n MET 109 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3hll n GLY 110 N 1.62 0.51 3.55 3.03 0.00 -1.26 -4.15 105.19 108.49 3hll n GLY 110 Ca -0.32 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.59 3hll n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hll s ALA 111 N -2.20 0.03 0.35 4.61 0.00 -1.08 -5.03 121.76 118.44 3hll s ALA 111 Ca 0.00 -1.05 0.04 0.00 0.00 0.00 0.00 51.96 50.95 3hll s ALA 111 Cb 0.00 1.10 -0.03 0.00 0.00 0.00 0.00 23.12 24.18 3hll s ALA 111 CO 0.00 -0.83 0.14 0.16 0.00 0.00 0.00 175.76 175.23 3hll s ASP 112 N -3.07 2.22 0.46 0.00 1.47 -1.26 -1.17 116.67 115.31 3hll s ASP 112 Ca 0.25 -1.59 0.20 0.00 1.18 0.00 0.00 52.55 52.59 3hll s ASP 112 Cb -0.00 0.38 1.10 0.00 -0.34 0.00 0.00 42.92 44.06 3hll s ASP 112 CO 0.11 -0.88 1.96 -0.07 0.68 0.00 0.00 175.17 176.98 3hll h LEU 113 N 2.01 0.00 -0.51 2.11 3.38 -0.80 -1.12 115.31 120.37 3hll h LEU 113 Ca -0.35 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.61 3hll h LEU 113 Cb 1.26 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.98 3hll h LEU 113 CO 0.56 0.22 0.28 0.78 0.09 0.00 0.00 178.44 180.37 3hll h ASN 114 N 0.00 0.64 0.16 -0.43 2.35 -1.88 -0.18 115.58 116.23 3hll h ASN 114 Ca -0.00 -0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.66 3hll h ASN 114 Cb 0.46 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.67 3hll h ASN 114 CO 0.03 0.54 0.00 0.59 -1.65 0.00 0.00 177.43 176.94 3hll n ASN 115 N -4.65 0.00 -0.06 5.81 5.03 -0.44 -2.00 115.26 118.95 3hll n ASN 115 Ca 0.02 0.45 -0.09 0.00 0.87 0.00 0.00 54.58 55.83 3hll n ASN 115 Cb 0.08 -0.46 -0.06 0.00 -1.02 0.00 0.00 39.78 38.32 3hll n ASN 115 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05 3hll n ILE 116 N -1.46 0.72 0.25 2.41 2.08 -1.01 -4.57 119.36 117.78 3hll n ILE 116 Ca 0.01 -0.27 0.09 0.00 0.56 0.00 0.00 62.75 63.15 3hll n ILE 116 Cb 0.06 -1.02 0.64 0.00 -0.75 0.00 0.00 39.64 38.56 3hll n ILE 116 CO 0.00 0.00 0.00 0.58 0.56 0.00 0.00 176.55 177.69 3hll h VAL 117 N -0.05 0.85 -3.13 1.39 2.07 -0.91 -3.39 116.25 113.07 3hll h VAL 117 Ca -0.29 -0.51 -0.58 0.00 0.82 0.00 0.00 66.70 66.14 3hll h VAL 117 Cb 1.42 1.30 -0.06 0.00 -1.52 0.00 0.00 31.29 32.43 3hll h VAL 117 CO -0.06 0.13 0.72 -0.75 0.02 0.00 0.00 177.57 177.63 3hll s LYS 118 N -4.48 4.26 0.00 1.57 2.47 -0.85 -4.16 119.74 118.57 3hll s LYS 118 Ca -0.04 1.29 0.00 0.00 -1.56 0.00 0.00 55.97 55.66 3hll s LYS 118 Cb 0.15 -3.63 0.00 0.00 -1.46 0.00 0.00 37.83 32.89 3hll s LYS 118 CO 0.64 -0.58 0.00 0.00 0.16 0.00 0.00 175.35 175.57 3hll s GLN 120 N 0.00 4.68 -0.24 0.00 2.00 -1.26 -5.06 119.66 119.78 3hll s GLN 120 Ca 0.00 1.74 0.01 0.00 -2.00 0.00 0.00 55.36 55.11 3hll s GLN 120 Cb 0.00 -3.21 0.04 0.00 0.80 0.00 0.00 33.01 30.64 3hll s GLN 120 CO 0.00 0.26 -0.11 0.21 -0.50 0.00 0.00 175.29 175.15 3hll s LYS 121 N -1.31 2.62 0.37 1.67 2.47 -1.26 -4.58 119.74 119.73 3hll s LYS 121 Ca 0.44 -1.10 -0.25 0.00 -1.56 0.00 0.00 55.97 53.50 3hll s LYS 121 Cb -0.31 -2.87 -0.09 0.00 -1.46 0.00 0.00 37.83 33.11 3hll s LYS 121 CO 0.39 -0.43 1.06 -0.51 0.16 0.00 0.00 175.35 176.01 3hll s LEU 122 N 1.23 4.23 0.71 5.43 1.02 -1.26 -5.04 118.68 125.00 3hll s LEU 122 Ca -0.02 2.09 -0.12 0.00 0.02 0.00 0.00 54.13 56.09 3hll s LEU 122 Cb -0.17 -4.07 0.02 0.00 0.02 0.00 0.00 46.19 41.99 3hll s LEU 122 CO -0.06 -0.42 1.09 0.42 0.02 0.00 0.00 176.35 177.39 3hll s THR 123 N -1.55 3.51 0.37 5.49 -4.23 -1.26 -4.88 115.64 113.09 3hll s THR 123 Ca 0.55 0.57 0.14 0.00 -1.18 0.00 0.00 61.69 61.77 3hll s THR 123 Cb -0.24 -3.12 0.36 0.00 1.34 0.00 0.00 72.50 70.84 3hll s THR 123 CO 0.30 -0.56 1.79 -0.78 -0.54 0.00 0.00 174.62 174.84 3hll h ASP 124 N -0.55 0.55 -0.68 3.99 3.58 -1.96 -1.59 116.42 119.76 3hll h ASP 124 Ca -0.45 0.08 -0.05 0.00 0.42 0.00 0.00 57.03 57.03 3hll h ASP 124 Cb 1.23 -0.02 -0.03 0.00 1.72 0.00 0.00 39.33 42.23 3hll h ASP 124 CO 0.54 0.17 0.24 0.44 -2.88 0.00 0.00 179.24 177.75 3hll h ASP 125 N 0.52 0.97 -0.48 2.28 3.32 -2.00 -0.37 116.42 120.66 3hll h ASP 125 Ca 0.56 -0.19 -0.09 0.00 0.02 0.00 0.00 57.03 57.32 3hll h ASP 125 Cb 1.22 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 40.50 3hll h ASP 125 CO -0.30 0.90 -0.06 0.45 -1.72 0.00 0.00 179.24 178.52 3hll h HIS 126 N 0.99 0.99 -0.52 4.55 3.86 -1.73 -2.68 115.15 120.61 3hll h HIS 126 Ca 0.22 -0.19 0.05 0.00 -1.16 0.00 0.00 60.37 59.29 3hll h HIS 126 Cb 0.26 -0.25 -0.05 0.00 1.06 0.00 0.00 27.41 28.44 3hll h HIS 126 CO 0.02 0.95 0.26 0.28 0.86 0.00 0.00 177.93 180.29 3hll h VAL 127 N 0.74 0.94 -0.68 2.45 2.07 -0.90 -0.32 116.25 120.56 3hll h VAL 127 Ca 0.13 -0.17 0.07 0.00 0.82 0.00 0.00 66.70 67.55 3hll h VAL 127 Cb 0.59 0.40 -0.06 0.00 -1.52 0.00 0.00 31.29 30.70 3hll h VAL 127 CO 0.04 0.09 0.36 1.56 0.02 0.00 0.00 177.57 179.63 3hll h GLN 128 N 0.50 0.62 -0.12 1.57 4.20 -0.96 -0.82 115.11 120.11 3hll h GLN 128 Ca 0.23 -0.04 -0.18 0.00 0.06 0.00 0.00 58.65 58.72 3hll h GLN 128 Cb 0.15 -0.14 0.01 0.00 0.30 0.00 0.00 27.48 27.80 3hll h GLN 128 CO -0.17 0.41 -0.65 0.35 -0.67 0.00 0.00 178.83 178.11 3hll h PHE 129 N 0.64 0.87 -0.08 2.96 3.57 -1.06 -0.83 116.94 123.01 3hll h PHE 129 Ca 0.32 -0.39 -0.01 0.00 3.53 0.00 0.00 57.97 61.41 3hll h PHE 129 Cb 0.26 -0.13 -0.00 0.00 2.79 0.00 0.00 35.95 38.86 3hll h PHE 129 CO -0.09 1.20 0.01 -0.07 -2.23 0.00 0.00 178.31 177.13 3hll h LEU 130 N 0.30 0.13 -0.63 0.59 -0.00 -0.95 -2.45 115.31 112.30 3hll h LEU 130 Ca -0.05 -0.27 -0.13 0.00 -0.00 0.00 0.00 57.88 57.44 3hll h LEU 130 Cb 1.29 -0.03 -0.01 0.00 -0.00 0.00 0.00 40.66 41.90 3hll h LEU 130 CO 0.13 0.36 -0.33 0.40 -0.00 0.00 0.00 178.44 179.01 3hll h ILE 131 N -0.11 1.28 -0.47 1.22 1.08 -1.21 -2.28 117.51 117.02 3hll h ILE 131 Ca 0.02 -1.47 0.09 0.00 -0.39 0.00 0.00 64.86 63.11 3hll h ILE 131 Cb 0.29 1.38 -0.08 0.00 -3.07 0.00 0.00 36.82 35.34 3hll h ILE 131 CO 0.00 0.48 -0.06 0.22 -0.69 0.00 0.00 178.15 178.10 3hll h TYR 132 N 0.61 -0.15 -0.62 1.37 3.20 -1.15 -1.37 116.97 118.86 3hll h TYR 132 Ca 0.07 0.04 -0.07 0.00 3.14 0.00 0.00 58.73 61.91 3hll h TYR 132 Cb 0.85 0.14 -0.03 0.00 1.54 0.00 0.00 36.73 39.23 3hll h TYR 132 CO 0.04 -0.16 0.12 1.96 -1.64 0.00 0.00 178.16 178.48 3hll h GLN 133 N 0.05 1.00 -0.16 1.82 4.20 -1.10 0.45 115.11 121.36 3hll h GLN 133 Ca 0.23 -0.24 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 3hll h GLN 133 Cb 0.35 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 3hll h GLN 133 CO -0.44 0.91 0.09 0.82 -0.67 0.00 0.00 178.83 179.53 3hll h ILE 134 N 0.94 1.10 -0.24 2.54 2.04 -1.10 -1.08 117.51 121.72 3hll h ILE 134 Ca 0.19 -0.27 -0.06 0.00 1.00 0.00 0.00 64.86 65.72 3hll h ILE 134 Cb 0.39 0.99 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 3hll h ILE 134 CO 0.01 0.09 -0.12 -0.07 0.00 0.00 0.00 178.15 178.07 3hll h LEU 135 N 0.16 0.37 -0.21 1.44 3.38 -0.90 0.18 115.31 119.73 3hll h LEU 135 Ca 0.06 -0.08 -0.08 0.00 0.09 0.00 0.00 57.88 57.87 3hll h LEU 135 Cb 0.07 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 3hll h LEU 135 CO -0.01 0.52 -0.17 -0.09 0.09 0.00 0.00 178.44 178.79 3hll h ARG 136 N 0.36 0.48 -0.74 1.13 2.43 -0.64 0.29 114.38 117.70 3hll h ARG 136 Ca 0.07 -0.24 -0.05 0.00 -0.81 0.00 0.00 59.98 58.95 3hll h ARG 136 Cb 0.43 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.95 3hll h ARG 136 CO 0.02 0.80 0.26 0.78 -1.51 0.00 0.00 179.97 180.33 3hll h GLY 137 N 0.17 1.20 1.36 2.80 0.00 -0.86 -3.02 103.07 104.72 3hll h GLY 137 Ca 0.04 -0.68 -0.10 0.00 0.00 0.00 0.00 47.33 46.59 3hll h GLY 137 CO 0.04 0.64 -0.14 1.41 0.00 0.00 0.00 176.54 178.49 3hll h LEU 138 N 1.09 0.75 -0.65 3.11 3.38 -0.44 -1.20 115.31 121.34 3hll h LEU 138 Ca 0.24 -0.23 0.07 0.00 0.09 0.00 0.00 57.88 58.05 3hll h LEU 138 Cb 0.26 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.74 3hll h LEU 138 CO -0.01 0.90 0.33 0.50 0.09 0.00 0.00 178.44 180.25 3hll h LYS 139 N 0.68 0.58 0.05 1.13 3.64 -0.82 0.92 116.57 122.76 3hll h LYS 139 Ca 0.11 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.45 3hll h LYS 139 Cb 0.62 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 3hll h LYS 139 CO 0.04 0.39 -0.03 -0.92 -2.27 0.00 0.00 179.45 176.66 3hll h TYR 140 N 0.60 -0.07 -0.45 1.91 3.20 -1.36 -1.72 116.97 119.08 3hll h TYR 140 Ca 0.30 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.17 3hll h TYR 140 Cb 0.26 0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.53 3hll h TYR 140 CO -0.10 0.27 0.25 0.82 -1.64 0.00 0.00 178.16 177.77 3hll h ILE 141 N -0.41 1.16 -0.20 1.81 2.04 -0.97 -2.57 117.51 118.36 3hll h ILE 141 Ca -0.01 -0.39 -0.03 0.00 1.00 0.00 0.00 64.86 65.43 3hll h ILE 141 Cb 0.37 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 3hll h ILE 141 CO 0.01 0.16 -0.03 0.45 0.00 0.00 0.00 178.15 178.75 3hll h HIS 142 N 0.59 0.29 0.00 1.37 3.86 -0.80 -1.96 115.15 118.50 3hll h HIS 142 Ca 0.16 -0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.34 3hll h HIS 142 Cb 0.04 -0.09 -0.00 0.00 1.06 0.00 0.00 27.41 28.42 3hll h HIS 142 CO -0.02 0.33 -0.03 0.66 0.86 0.00 0.00 177.93 179.73 3hll h SER 143 N 0.28 0.00 -0.41 2.45 4.64 -0.89 -1.39 113.55 118.23 3hll h SER 143 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 3hll h SER 143 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 3hll h SER 143 CO 0.01 0.03 0.00 0.00 -0.87 0.00 0.00 176.83 175.99 3hll n ALA 144 N -2.12 2.43 -2.43 5.18 0.00 -0.76 -4.76 120.51 118.06 3hll n ALA 144 Ca -0.01 -0.71 -0.15 0.00 0.00 0.00 0.00 53.44 52.57 3hll n ALA 144 Cb 0.24 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.72 3hll n ALA 144 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3hll n ASP 145 N 0.69 -4.47 -4.58 0.00 4.64 -0.52 -4.50 116.55 107.81 3hll n ASP 145 Ca 0.14 -0.07 -0.34 0.00 -1.38 0.00 0.00 54.79 53.13 3hll n ASP 145 Cb 0.34 -3.53 -0.11 0.00 -1.04 0.00 0.00 41.12 36.78 3hll n ASP 145 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 3hll s ILE 146 N -2.79 3.95 -0.12 5.18 1.01 -1.08 -5.03 121.20 122.32 3hll s ILE 146 Ca 0.06 -0.37 0.00 0.00 0.00 0.00 0.00 60.65 60.35 3hll s ILE 146 Cb -0.03 -2.67 -0.02 0.00 0.01 0.00 0.00 42.46 39.75 3hll s ILE 146 CO 0.08 0.56 -0.13 -0.63 0.00 0.00 0.00 174.94 174.83 3hll s ILE 147 N -0.43 3.09 0.02 2.92 1.01 -1.26 -3.72 121.20 122.84 3hll s ILE 147 Ca 0.07 -0.66 -0.28 0.00 0.00 0.00 0.00 60.65 59.78 3hll s ILE 147 Cb -0.12 -2.28 -0.16 0.00 0.01 0.00 0.00 42.46 39.90 3hll s ILE 147 CO 0.02 0.54 1.26 -0.74 0.00 0.00 0.00 174.94 176.02 3hll h HIS 148 N 6.44 -0.79 0.00 3.97 -0.00 -1.95 -3.30 115.15 119.53 3hll h HIS 148 Ca -0.30 -0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.05 3hll h HIS 148 Cb 1.20 0.26 0.00 0.00 -0.00 0.00 0.00 27.41 28.87 3hll h HIS 148 CO 0.50 -0.45 0.00 0.54 -0.00 0.00 0.00 177.93 178.53 3hll n ARG 149 N -5.38 0.00 -2.64 5.26 1.74 -1.26 -3.52 116.66 110.86 3hll n ARG 149 Ca -0.12 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 56.89 3hll n ARG 149 Cb 0.36 -0.59 0.04 0.00 -1.02 0.00 0.00 32.46 31.25 3hll n ARG 149 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3hll n ASP 150 N 0.26 2.32 -4.70 0.55 2.03 -1.26 -4.96 116.55 110.79 3hll n ASP 150 Ca 0.00 -2.53 -0.42 0.00 0.52 0.00 0.00 54.79 52.36 3hll n ASP 150 Cb 0.00 -0.46 -0.03 0.00 -0.72 0.00 0.00 41.12 39.91 3hll n ASP 150 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3hll s LEU 151 N -3.65 4.38 0.21 -2.67 1.43 -1.26 -4.89 118.68 112.23 3hll s LEU 151 Ca 0.32 2.61 -0.19 0.00 -1.03 0.00 0.00 54.13 55.84 3hll s LEU 151 Cb 0.36 -3.57 0.03 0.00 0.03 0.00 0.00 46.19 43.04 3hll s LEU 151 CO -0.02 -0.91 0.57 -1.59 0.23 0.00 0.00 176.35 174.63 3hll s LYS 152 N 2.27 1.44 0.40 1.70 -2.85 -1.26 -4.80 119.74 116.64 3hll s LYS 152 Ca 0.75 -0.84 0.15 0.00 -1.00 0.00 0.00 55.97 55.02 3hll s LYS 152 Cb -0.43 0.54 1.00 0.00 -2.06 0.00 0.00 37.83 36.89 3hll s LYS 152 CO 0.33 -0.63 1.88 -1.35 0.10 0.00 0.00 175.35 175.68 3hll h PRO 153 N 2.14 0.47 0.00 1.78 0.11 -1.94 -0.83 132.00 133.73 3hll h PRO 153 Ca -0.28 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.81 3hll h PRO 153 Cb 1.27 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3hll h PRO 153 CO 0.35 0.31 0.00 -1.13 -0.21 0.00 0.00 178.00 177.32 3hll n SER 154 N -4.52 0.43 -0.91 -2.05 3.41 -1.26 -2.12 113.62 106.61 3hll n SER 154 Ca 0.17 0.58 0.11 0.00 -0.26 0.00 0.00 58.87 59.48 3hll n SER 154 Cb 0.59 -0.68 0.27 0.00 -0.26 0.00 0.00 64.21 64.13 3hll n SER 154 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3hll n ASN 155 N -1.95 2.71 -4.14 4.04 5.03 -0.32 -4.81 115.26 115.82 3hll n ASN 155 Ca 0.04 -1.89 -0.35 0.00 0.87 0.00 0.00 54.58 53.25 3hll n ASN 155 Cb 0.26 -0.19 -0.13 0.00 -1.02 0.00 0.00 39.78 38.70 3hll n ASN 155 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3hll s LEU 156 N -1.50 4.43 0.05 3.41 1.43 -0.90 -0.39 118.68 125.20 3hll s LEU 156 Ca 0.36 -1.60 -0.23 0.00 -1.03 0.00 0.00 54.13 51.63 3hll s LEU 156 Cb 0.20 -1.75 -0.06 0.00 0.03 0.00 0.00 46.19 44.62 3hll s LEU 156 CO 0.29 -0.37 0.69 0.00 0.23 0.00 0.00 176.35 177.19 3hll s ALA 157 N 1.19 3.45 -0.04 4.21 0.00 -0.32 -1.56 121.76 128.68 3hll s ALA 157 Ca 0.01 0.18 0.01 0.00 0.00 0.00 0.00 51.96 52.16 3hll s ALA 157 Cb -0.21 -2.86 0.02 0.00 0.00 0.00 0.00 23.12 20.07 3hll s ALA 157 CO -0.03 0.18 -0.05 0.08 0.00 0.00 0.00 175.76 175.94 3hll s VAL 158 N -0.40 0.53 0.66 0.00 1.01 -0.32 -1.10 120.40 120.77 3hll s VAL 158 Ca 0.34 -0.14 0.05 0.00 0.00 0.00 0.00 61.98 62.24 3hll s VAL 158 Cb -0.20 -0.54 0.12 0.00 0.00 0.00 0.00 36.38 35.75 3hll s VAL 158 CO 0.21 0.21 0.91 0.54 0.00 0.00 0.00 175.10 176.98 3hll s ASN 159 N 0.80 4.65 0.40 3.32 2.20 -0.77 -2.65 114.94 122.90 3hll s ASN 159 Ca -0.11 -0.67 0.28 0.00 -0.94 0.00 0.00 52.86 51.43 3hll s ASN 159 Cb -0.13 0.26 1.38 0.00 -2.00 0.00 0.00 41.25 40.76 3hll s ASN 159 CO 0.00 -1.66 1.86 1.05 -2.94 0.00 0.00 177.10 175.41 3hll h GLU 160 N -0.21 0.00 -0.04 3.55 4.11 -1.91 -1.27 114.58 118.81 3hll h GLU 160 Ca -0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.11 3hll h GLU 160 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 3hll h GLU 160 CO 0.39 0.00 0.00 -3.47 0.07 0.00 0.00 179.01 176.00 3hll n ASP 161 N -2.54 0.76 -1.22 3.06 2.03 -1.26 -4.90 116.55 112.49 3hll n ASP 161 Ca -0.00 -1.37 -0.16 0.00 0.52 0.00 0.00 54.79 53.78 3hll n ASP 161 Cb 0.14 -0.02 -0.07 0.00 -0.72 0.00 0.00 41.12 40.45 3hll n ASP 161 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3hll s GLU 163 N -3.33 4.33 0.00 0.00 2.02 -1.26 -4.85 118.70 115.62 3hll s GLU 163 Ca 0.00 0.81 0.08 0.00 0.02 0.00 0.00 54.97 55.87 3hll s GLU 163 Cb 0.00 -3.31 -0.02 0.00 0.10 0.00 0.00 34.13 30.89 3hll s GLU 163 CO 0.00 0.44 -0.24 -1.17 0.02 0.00 0.00 175.26 174.31 3hll s LEU 164 N -0.46 2.24 0.02 1.80 0.20 -1.26 -1.85 118.68 119.38 3hll s LEU 164 Ca 0.32 -0.47 0.03 0.00 0.69 0.00 0.00 54.13 54.70 3hll s LEU 164 Cb -0.19 -1.37 -0.02 0.00 -0.43 0.00 0.00 46.19 44.18 3hll s LEU 164 CO 0.19 0.30 -0.10 -0.54 -0.29 0.00 0.00 176.35 175.91 3hll s LYS 165 N -0.92 0.68 -0.10 1.98 1.02 -0.26 -4.26 119.74 117.88 3hll s LYS 165 Ca 0.11 -0.58 -0.25 0.00 0.02 0.00 0.00 55.97 55.28 3hll s LYS 165 Cb -0.10 -0.61 -0.03 0.00 -0.52 0.00 0.00 37.83 36.57 3hll s LYS 165 CO 0.01 0.15 0.79 0.42 -0.92 0.00 0.00 175.35 175.80 3hll s ILE 166 N -0.76 4.95 0.22 2.17 1.01 -0.41 -1.17 121.20 127.22 3hll s ILE 166 Ca -0.01 1.61 0.06 0.00 0.00 0.00 0.00 60.65 62.31 3hll s ILE 166 Cb -0.07 -4.12 -0.04 0.00 0.01 0.00 0.00 42.46 38.25 3hll s ILE 166 CO 0.00 0.14 0.20 -0.76 0.00 0.00 0.00 174.94 174.53 3hll s LEU 167 N 1.40 3.88 -1.33 2.97 1.43 0.48 -1.99 118.68 125.52 3hll s LEU 167 Ca 0.40 -0.17 0.00 0.00 -1.03 0.00 0.00 54.13 53.33 3hll s LEU 167 Cb -0.18 -2.44 0.00 0.00 0.03 0.00 0.00 46.19 43.61 3hll s LEU 167 CO 0.17 -0.01 0.00 0.47 0.23 0.00 0.00 176.35 177.21 3hll n ASP 168 N -0.97 -4.47 -4.78 2.29 8.00 -1.26 -4.82 116.55 110.54 3hll n ASP 168 Ca -0.08 0.19 -0.34 0.00 0.71 0.00 0.00 54.79 55.28 3hll n ASP 168 Cb 0.57 -3.36 0.02 0.00 -0.02 0.00 0.00 41.12 38.32 3hll n ASP 168 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 3hll s PHE 169 N -2.58 2.76 0.00 1.24 -0.12 -1.26 -4.00 117.98 114.02 3hll s PHE 169 Ca 0.00 1.54 0.00 0.00 -0.05 0.00 0.00 56.93 58.42 3hll s PHE 169 Cb 0.00 -3.15 0.00 0.00 -0.63 0.00 0.00 43.02 39.24 3hll s PHE 169 CO 0.00 -1.43 0.00 0.41 -0.05 0.00 0.00 175.22 174.15 3hll n GLY 170 N -0.40 0.34 0.00 1.99 0.00 -1.23 -5.02 105.19 100.88 3hll n GLY 170 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3hll n GLY 170 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hll n LEU 171 N 0.00 0.68 0.22 0.99 4.77 -1.26 -4.99 117.00 117.42 3hll n LEU 171 Ca 0.00 0.02 0.15 0.00 -0.03 0.00 0.00 56.01 56.16 3hll n LEU 171 Cb 0.06 -0.09 0.56 0.00 -2.33 0.00 0.00 43.42 41.62 3hll n LEU 171 CO 0.00 -0.09 0.93 0.58 -1.33 0.00 0.00 177.39 177.48 3hll h VAL 183 N 0.00 0.00 -1.58 4.08 2.07 -2.00 -3.49 116.25 115.33 3hll h VAL 183 Ca 0.00 -0.49 -0.53 0.00 0.82 0.00 0.00 66.70 66.49 3hll h VAL 183 Cb 0.00 1.43 -0.08 0.00 -1.52 0.00 0.00 31.29 31.12 3hll h VAL 183 CO 0.00 0.00 1.24 0.00 0.02 0.00 0.00 177.57 178.83 3hll s ALA 184 N -3.50 2.54 0.51 1.67 0.00 -1.26 -4.90 121.76 116.83 3hll s ALA 184 Ca 0.03 -1.70 0.31 0.00 0.00 0.00 0.00 51.96 50.60 3hll s ALA 184 Cb 0.09 -4.42 1.43 0.00 0.00 0.00 0.00 23.12 20.22 3hll s ALA 184 CO 0.52 -3.68 1.82 1.79 0.00 0.00 0.00 175.76 176.21 3hll h THR 185 N 6.60 0.48 0.00 0.00 1.35 -1.99 -2.76 112.91 116.59 3hll h THR 185 Ca -0.03 -0.03 -0.01 0.00 -0.55 0.00 0.00 66.41 65.80 3hll h THR 185 Cb 1.04 0.37 -0.00 0.00 -1.73 0.00 0.00 68.15 67.83 3hll h THR 185 CO 1.33 0.02 -0.03 0.03 -0.25 0.00 0.00 175.52 176.62 3hll h ARG 186 N 0.10 0.00 0.00 4.72 2.47 -1.96 -2.76 114.38 116.94 3hll h ARG 186 Ca 0.53 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 59.22 3hll h ARG 186 Cb 1.92 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 30.24 3hll h ARG 186 CO -0.07 0.03 -0.16 -1.49 0.56 0.00 0.00 179.97 178.84 3hll h TRP 187 N 0.00 0.00 -0.17 3.04 6.55 -1.72 -2.91 115.95 120.75 3hll h TRP 187 Ca -0.00 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.84 3hll h TRP 187 Cb 0.24 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.54 3hll h TRP 187 CO 0.00 0.16 0.00 0.66 -1.05 0.00 0.00 178.44 178.21 3hll n TYR 188 N -3.65 0.21 -2.57 0.49 4.02 -1.04 -4.51 117.16 110.10 3hll n TYR 188 Ca -0.01 -0.16 -0.41 0.00 -0.01 0.00 0.00 57.90 57.31 3hll n TYR 188 Cb 0.28 -0.01 -0.04 0.00 -0.02 0.00 0.00 39.34 39.56 3hll n TYR 188 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 176.86 176.35 3hll s ARG 189 N -1.21 4.62 0.43 -0.72 6.06 -1.10 -3.73 118.95 123.30 3hll s ARG 189 Ca 0.23 1.64 -0.26 0.00 -2.50 0.00 0.00 55.73 54.84 3hll s ARG 189 Cb 0.14 -3.31 -0.09 0.00 0.06 0.00 0.00 34.95 31.76 3hll s ARG 189 CO 0.20 0.10 1.40 0.00 -2.50 0.00 0.00 175.30 174.51 3hll s ALA 190 N -0.12 3.30 0.41 6.12 0.00 -1.26 -4.87 121.76 125.33 3hll s ALA 190 Ca 0.49 1.42 0.09 0.00 0.00 0.00 0.00 51.96 53.96 3hll s ALA 190 Cb -0.28 -3.57 0.89 0.00 0.00 0.00 0.00 23.12 20.17 3hll s ALA 190 CO 0.33 -1.07 2.00 -1.00 0.00 0.00 0.00 175.76 176.02 3hll h PRO 191 N 2.53 0.54 0.00 0.00 0.13 -1.95 -1.15 132.00 132.10 3hll h PRO 191 Ca -0.50 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 64.57 3hll h PRO 191 Cb 1.26 -0.12 -0.00 0.00 0.13 0.00 0.00 31.00 32.26 3hll h PRO 191 CO 0.62 0.36 -0.09 1.05 -0.23 0.00 0.00 178.00 179.70 3hll h GLU 192 N 0.55 0.00 0.13 0.86 9.09 -1.91 -1.70 114.58 121.60 3hll h GLU 192 Ca 0.24 0.00 -0.28 0.00 0.05 0.00 0.00 59.36 59.38 3hll h GLU 192 Cb 0.26 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.38 3hll h GLU 192 CO -0.07 0.09 -1.23 0.82 0.05 0.00 0.00 179.01 178.67 3hll h ILE 193 N 0.00 1.43 -0.15 -1.06 2.04 -1.52 -1.31 117.51 116.94 3hll h ILE 193 Ca -0.00 -2.84 -0.03 0.00 1.00 0.00 0.00 64.86 62.99 3hll h ILE 193 Cb 0.26 2.85 -0.01 0.00 -0.74 0.00 0.00 36.82 39.18 3hll h ILE 193 CO 0.01 0.84 -0.05 0.24 0.00 0.00 0.00 178.15 179.19 3hll h MET 194 N 0.13 0.23 -0.00 2.37 2.86 -1.18 -1.50 114.93 117.84 3hll h MET 194 Ca -0.15 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.45 3hll h MET 194 Cb 1.93 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 33.56 3hll h MET 194 CO 0.21 0.30 -0.02 1.28 1.06 0.00 0.00 176.91 179.75 3hll n LEU 195 N -4.35 0.04 -0.58 1.22 4.77 -0.69 -4.93 117.00 112.47 3hll n LEU 195 Ca -0.01 0.33 -0.05 0.00 -0.03 0.00 0.00 56.01 56.25 3hll n LEU 195 Cb 0.21 -0.35 -0.01 0.00 -2.33 0.00 0.00 43.42 40.94 3hll n LEU 195 CO 0.37 0.01 -0.07 -3.20 -1.33 0.00 0.00 177.39 173.17 3hll n ASN 196 N -1.34 -2.45 -4.69 -1.43 4.05 -0.56 -4.97 115.26 103.86 3hll n ASN 196 Ca 0.12 0.01 -0.42 0.00 0.45 0.00 0.00 54.58 54.74 3hll n ASN 196 Cb 0.28 -1.63 -0.03 0.00 1.23 0.00 0.00 39.78 39.63 3hll n ASN 196 CO 0.00 0.00 0.00 0.86 -3.05 0.00 0.00 177.26 175.07 3hll s TRP 197 N -2.26 3.01 -0.98 1.20 -0.00 -0.50 -4.93 118.94 114.47 3hll s TRP 197 Ca 0.00 0.98 0.27 0.00 -0.00 0.00 0.00 56.10 57.36 3hll s TRP 197 Cb 0.00 -3.57 0.92 0.00 -0.00 0.00 0.00 33.47 30.82 3hll s TRP 197 CO 0.00 -2.00 1.71 -1.33 -0.00 0.00 0.00 176.95 175.33 3hll n MET 198 N 5.19 0.02 -0.94 5.86 2.81 -1.26 -4.02 117.12 124.77 3hll n MET 198 Ca 0.12 0.01 -0.10 0.00 -1.81 0.00 0.00 57.70 55.92 3hll n MET 198 Cb 0.45 -1.51 0.21 0.00 -0.71 0.00 0.00 33.22 31.65 3hll n MET 198 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 3hll n HIS 199 N -1.54 1.83 -0.93 2.03 8.25 -1.26 -5.02 115.22 118.59 3hll n HIS 199 Ca 0.06 -1.61 -0.32 0.00 -0.26 0.00 0.00 57.72 55.59 3hll n HIS 199 Cb 0.34 -0.65 0.15 0.00 1.12 0.00 0.00 29.99 30.95 3hll n HIS 199 CO 0.00 0.00 0.00 2.48 0.64 0.00 0.00 176.34 179.46 3hll n TYR 200 N -1.02 1.12 -3.97 4.41 0.18 -1.26 -5.05 117.16 111.57 3hll n TYR 200 Ca 0.42 0.40 -0.13 0.00 1.88 0.00 0.00 57.90 60.47 3hll n TYR 200 Cb 1.27 -2.06 -0.01 0.00 -0.38 0.00 0.00 39.34 38.15 3hll n TYR 200 CO 0.00 0.00 0.00 0.27 -2.08 0.00 0.00 176.86 175.05 3hll n ASN 201 N -3.69 2.18 0.28 9.48 0.23 -1.26 -5.02 115.26 117.45 3hll n ASN 201 Ca 0.13 -1.94 0.15 0.00 -0.53 0.00 0.00 54.58 52.39 3hll n ASN 201 Cb 0.51 0.06 0.83 0.00 -2.08 0.00 0.00 39.78 39.10 3hll n ASN 201 CO 0.00 0.00 0.00 1.56 -0.93 0.00 0.00 177.26 177.89 3hll h GLN 202 N 0.00 0.00 0.00 -3.83 4.20 -1.96 -2.59 115.11 110.93 3hll h GLN 202 Ca -0.18 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.53 3hll h GLN 202 Cb 0.59 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.37 3hll h GLN 202 CO 0.28 0.07 0.00 0.25 -0.67 0.00 0.00 178.83 178.76 3hll n THR 203 N -3.53 1.02 -0.31 -0.54 -2.24 -1.26 -1.39 114.28 106.03 3hll n THR 203 Ca -0.02 0.26 0.17 0.00 -2.27 0.00 0.00 64.05 62.18 3hll n THR 203 Cb 0.19 -1.07 0.35 0.00 -2.10 0.00 0.00 70.33 67.71 3hll n THR 203 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 3hll h VAL 204 N 0.00 0.32 -0.01 2.28 2.07 -1.84 -0.75 116.25 118.31 3hll h VAL 204 Ca 0.00 -0.09 -0.17 0.00 0.82 0.00 0.00 66.70 67.26 3hll h VAL 204 Cb 0.15 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 29.94 3hll h VAL 204 CO 0.00 0.05 -0.78 0.44 0.02 0.00 0.00 177.57 177.30 3hll h ASP 205 N 0.26 0.14 -0.48 0.57 3.45 -1.49 -2.94 116.42 115.93 3hll h ASP 205 Ca 0.62 -0.11 -0.10 0.00 0.43 0.00 0.00 57.03 57.87 3hll h ASP 205 Cb 1.30 -0.04 -0.02 0.00 -0.56 0.00 0.00 39.33 40.01 3hll h ASP 205 CO -0.63 0.86 -0.09 0.40 -1.57 0.00 0.00 179.24 178.21 3hll h ILE 206 N 0.07 1.26 -0.34 0.35 1.08 -1.38 -1.47 117.51 117.08 3hll h ILE 206 Ca -0.02 -1.22 0.07 0.00 -0.39 0.00 0.00 64.86 63.30 3hll h ILE 206 Cb 1.36 0.96 -0.07 0.00 -3.07 0.00 0.00 36.82 36.01 3hll h ILE 206 CO 0.11 0.43 -0.11 -0.25 -0.69 0.00 0.00 178.15 177.63 3hll h TRP 207 N 0.85 -0.26 -0.77 1.37 2.91 -1.07 -1.00 115.95 117.98 3hll h TRP 207 Ca 0.14 0.03 0.02 0.00 1.13 0.00 0.00 58.89 60.21 3hll h TRP 207 Cb 0.63 0.17 -0.04 0.00 -0.51 0.00 0.00 29.16 29.41 3hll h TRP 207 CO 0.04 -0.18 0.50 0.77 -1.03 0.00 0.00 178.44 178.54 3hll h SER 208 N -0.04 0.86 -0.90 2.65 0.02 -1.34 -1.43 113.55 113.36 3hll h SER 208 Ca 0.17 -0.01 0.01 0.00 -0.84 0.00 0.00 61.79 61.11 3hll h SER 208 Cb 0.30 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 62.59 3hll h SER 208 CO -0.38 0.61 0.59 0.58 -1.14 0.00 0.00 176.83 177.09 3hll h VAL 209 N 1.01 1.23 -0.69 2.27 2.07 -0.85 -0.51 116.25 120.79 3hll h VAL 209 Ca 0.29 -0.43 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 3hll h VAL 209 Cb -0.07 -0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 29.58 3hll h VAL 209 CO -0.08 0.22 0.40 1.23 0.02 0.00 0.00 177.57 179.37 3hll h GLY 210 N 1.22 1.00 0.96 2.17 0.00 -0.36 0.21 103.07 108.28 3hll h GLY 210 Ca 0.33 -0.43 -0.04 0.00 0.00 0.00 0.00 47.33 47.20 3hll h GLY 210 CO -0.07 0.41 0.16 0.00 0.00 0.00 0.00 176.54 177.04 3hll h ILE 212 N 0.64 1.17 -0.37 0.00 2.04 -0.79 -2.10 117.51 118.10 3hll h ILE 212 Ca 0.16 -0.52 0.02 0.00 1.00 0.00 0.00 64.86 65.51 3hll h ILE 212 Cb 0.25 1.29 -0.03 0.00 -0.74 0.00 0.00 36.82 37.60 3hll h ILE 212 CO -0.01 0.16 0.21 -0.03 0.00 0.00 0.00 178.15 178.48 3hll h MET 213 N 0.02 0.42 -0.63 2.37 4.05 -0.53 -1.20 114.93 119.43 3hll h MET 213 Ca 0.04 -0.03 0.11 0.00 -0.28 0.00 0.00 59.70 59.54 3hll h MET 213 Cb 0.21 -0.09 -0.08 0.00 -0.80 0.00 0.00 31.60 30.83 3hll h MET 213 CO -0.00 0.28 0.21 0.00 0.23 0.00 0.00 176.91 177.63 3hll h ALA 214 N 1.17 0.81 -0.76 0.39 0.00 -1.18 -1.33 119.26 118.36 3hll h ALA 214 Ca 0.15 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 3hll h ALA 214 Cb 0.02 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 3hll h ALA 214 CO -0.08 -0.22 0.33 1.49 0.00 0.00 0.00 179.25 180.77 3hll h GLU 215 N 0.38 1.12 -0.25 0.00 4.81 -0.81 -0.53 114.58 119.29 3hll h GLU 215 Ca 0.33 -0.19 -0.09 0.00 -0.13 0.00 0.00 59.36 59.28 3hll h GLU 215 Cb 0.44 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 3hll h GLU 215 CO -0.35 0.90 -0.21 -0.07 -0.73 0.00 0.00 179.01 178.55 3hll h LEU 216 N 1.09 0.46 -0.21 1.64 3.38 -0.90 0.30 115.31 121.07 3hll h LEU 216 Ca 0.26 -0.14 -0.22 0.00 0.09 0.00 0.00 57.88 57.87 3hll h LEU 216 Cb 0.18 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.81 3hll h LEU 216 CO -0.03 0.68 -0.89 -0.07 0.09 0.00 0.00 178.44 178.22 3hll h LEU 217 N 0.41 0.60 0.00 1.67 3.38 -0.88 -3.39 115.31 117.10 3hll h LEU 217 Ca 0.07 -0.45 0.00 0.00 0.09 0.00 0.00 57.88 57.59 3hll h LEU 217 Cb 0.60 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.17 3hll h LEU 217 CO 0.04 1.24 -1.32 0.35 0.09 0.00 0.00 178.44 178.83 3hll n THR 218 N -3.80 0.00 -1.02 0.22 -2.24 -0.24 -5.00 114.28 102.20 3hll n THR 218 Ca -0.07 -0.28 -0.01 0.00 -2.27 0.00 0.00 64.05 61.43 3hll n THR 218 Cb 0.80 0.45 -0.00 0.00 -2.10 0.00 0.00 70.33 69.48 3hll n THR 218 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hll n GLY 219 N 1.57 0.39 3.09 3.38 0.00 0.10 -5.03 105.19 108.70 3hll n GLY 219 Ca -0.01 -0.08 -0.11 0.00 0.00 0.00 0.00 46.02 45.82 3hll n GLY 219 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3hll s ARG 220 N -0.87 0.62 0.14 1.61 1.70 -1.24 -5.04 118.95 115.88 3hll s ARG 220 Ca 0.00 -0.98 -0.31 0.00 -0.47 0.00 0.00 55.73 53.97 3hll s ARG 220 Cb 0.00 -0.19 -0.11 0.00 -0.57 0.00 0.00 34.95 34.08 3hll s ARG 220 CO 0.00 0.01 1.82 0.99 -1.08 0.00 0.00 175.30 177.04 3hll s THR 221 N -2.33 2.40 0.10 4.99 2.01 -1.26 -4.11 115.64 117.43 3hll s THR 221 Ca -0.02 0.01 -0.18 0.00 0.31 0.00 0.00 61.69 61.81 3hll s THR 221 Cb -0.03 -3.00 -0.06 0.00 0.01 0.00 0.00 72.50 69.41 3hll s THR 221 CO -0.02 0.00 1.60 0.25 -0.69 0.00 0.00 174.62 175.76 3hll h LEU 222 N 8.29 0.42 -6.68 4.42 5.85 -1.91 -3.38 115.31 122.31 3hll h LEU 222 Ca -0.46 -0.22 -0.60 0.00 0.84 0.00 0.00 57.88 57.44 3hll h LEU 222 Cb 1.22 -0.11 -0.40 0.00 0.37 0.00 0.00 40.66 41.73 3hll h LEU 222 CO 0.95 0.53 -0.76 0.49 -0.34 0.00 0.00 178.44 179.31 3hll n PHE 223 N -4.70 1.44 -1.50 1.25 3.01 -1.26 -5.01 117.46 110.68 3hll n PHE 223 Ca -0.03 -3.87 -0.40 0.00 1.01 0.00 0.00 57.45 54.16 3hll n PHE 223 Cb 0.18 -0.25 -0.02 0.00 -0.01 0.00 0.00 39.48 39.38 3hll n PHE 223 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 3hll n PRO 224 N 2.20 2.80 -2.26 -1.08 -0.04 -1.26 -4.52 135.00 130.83 3hll n PRO 224 Ca 0.25 -2.34 -0.39 0.00 -0.04 0.00 0.00 63.50 60.98 3hll n PRO 224 Cb 0.41 -3.08 -0.02 0.00 -0.04 0.00 0.00 33.50 30.77 3hll n PRO 224 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3hll s GLY 225 N 3.25 2.89 0.11 0.55 0.00 -1.26 -4.96 107.32 107.90 3hll s GLY 225 Ca 0.53 1.02 0.23 0.00 0.00 0.00 0.00 44.72 46.50 3hll s GLY 225 CO -0.05 1.55 1.11 -1.30 0.00 0.00 0.00 173.10 174.41 3hll n THR 226 N 0.17 0.35 -3.53 0.90 -2.24 -1.26 -4.85 114.28 103.81 3hll n THR 226 Ca 0.04 -0.35 -0.04 0.00 -2.27 0.00 0.00 64.05 61.43 3hll n THR 226 Cb 0.46 -0.06 0.02 0.00 -2.10 0.00 0.00 70.33 68.64 3hll n THR 226 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3hll n ASP 227 N -2.22 -1.30 -0.26 3.42 3.85 -1.26 -5.01 116.55 113.77 3hll n ASP 227 Ca 0.02 -1.86 -0.05 0.00 -0.71 0.00 0.00 54.79 52.19 3hll n ASP 227 Cb 0.47 2.16 0.06 0.00 -1.35 0.00 0.00 41.12 42.46 3hll n ASP 227 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.20 176.64 3hll h HIS 228 N 1.59 0.90 -0.04 2.11 3.86 -1.95 -1.01 115.15 120.61 3hll h HIS 228 Ca -0.19 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.01 3hll h HIS 228 Cb 0.74 -0.30 -0.00 0.00 1.06 0.00 0.00 27.41 28.90 3hll h HIS 228 CO 0.00 0.56 -0.07 0.82 0.86 0.00 0.00 177.93 180.10 3hll h ILE 229 N 0.97 1.41 -0.72 2.45 1.08 -1.97 -2.52 117.51 118.21 3hll h ILE 229 Ca 0.27 -1.34 0.07 0.00 -0.39 0.00 0.00 64.86 63.47 3hll h ILE 229 Cb -0.10 2.21 -0.05 0.00 -3.07 0.00 0.00 36.82 35.82 3hll h ILE 229 CO -0.06 0.36 0.48 -0.78 -0.69 0.00 0.00 178.15 177.46 3hll h ASP 230 N -0.37 0.63 -0.07 1.72 3.58 -1.94 -2.25 116.42 117.71 3hll h ASP 230 Ca 0.00 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.45 3hll h ASP 230 Cb 0.63 -0.13 -0.00 0.00 1.72 0.00 0.00 39.33 41.55 3hll h ASP 230 CO 0.02 0.40 0.02 -0.61 -2.88 0.00 0.00 179.24 176.18 3hll h GLN 231 N 0.71 0.11 -0.64 0.28 5.75 -1.09 -2.01 115.11 118.22 3hll h GLN 231 Ca 0.32 -0.03 0.11 0.00 -0.15 0.00 0.00 58.65 58.90 3hll h GLN 231 Cb 0.33 -0.01 -0.08 0.00 1.07 0.00 0.00 27.48 28.79 3hll h GLN 231 CO -0.11 0.32 0.23 -0.07 -2.65 0.00 0.00 178.83 176.55 3hll h LEU 232 N -0.11 0.21 -0.49 -2.39 3.38 -1.22 -1.38 115.31 113.31 3hll h LEU 232 Ca 0.02 0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 3hll h LEU 232 Cb 0.25 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 3hll h LEU 232 CO 0.00 0.11 0.21 0.11 0.09 0.00 0.00 178.44 178.96 3hll h LYS 233 N 0.40 0.72 -0.57 1.13 1.57 -1.19 -0.10 116.57 118.52 3hll h LYS 233 Ca 0.33 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 58.97 3hll h LYS 233 Cb 0.44 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.60 3hll h LYS 233 CO -0.34 0.63 0.27 -0.07 -0.57 0.00 0.00 179.45 179.37 3hll h LEU 234 N 0.64 0.75 0.31 2.94 3.38 -1.09 -2.19 115.31 120.06 3hll h LEU 234 Ca 0.16 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3hll h LEU 234 Cb 0.17 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 3hll h LEU 234 CO -0.02 0.67 -0.17 0.40 0.09 0.00 0.00 178.44 179.41 3hll h ILE 235 N 0.78 0.64 -0.01 1.22 2.04 -0.82 -3.05 117.51 118.31 3hll h ILE 235 Ca 0.20 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.05 3hll h ILE 235 Cb 0.12 0.64 -0.00 0.00 -0.74 0.00 0.00 36.82 36.84 3hll h ILE 235 CO -0.02 0.00 -0.01 -0.07 0.00 0.00 0.00 178.15 178.04 3hll h LEU 236 N -0.45 0.02 -1.34 1.44 4.07 -0.90 -1.07 115.31 117.08 3hll h LEU 236 Ca -0.04 -0.00 -0.06 0.00 0.08 0.00 0.00 57.88 57.86 3hll h LEU 236 Cb 0.36 -0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.09 3hll h LEU 236 CO 0.05 0.03 -0.27 0.08 -1.08 0.00 0.00 178.44 177.26 3hll h ARG 237 N 0.02 0.09 0.00 1.13 -0.00 -1.28 0.18 114.38 114.53 3hll h ARG 237 Ca 0.01 -0.03 -0.00 0.00 -0.00 0.00 0.00 59.98 59.96 3hll h ARG 237 Cb 0.04 -0.01 0.00 0.00 -0.00 0.00 0.00 29.97 30.00 3hll h ARG 237 CO 0.00 0.36 -0.00 1.25 -0.00 0.00 0.00 179.97 181.58 3hll h LEU 238 N 0.09 -0.00 -0.64 0.08 5.85 -1.25 -3.41 115.31 116.03 3hll h LEU 238 Ca 0.01 -0.74 0.00 0.00 0.84 0.00 0.00 57.88 57.99 3hll h LEU 238 Cb 0.52 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.55 3hll h LEU 238 CO 0.04 0.87 -0.43 1.33 -0.34 0.00 0.00 178.44 179.91 3hll n VAL 239 N -4.66 0.00 0.00 1.05 0.24 -0.65 -0.27 118.33 114.04 3hll n VAL 239 Ca -0.07 -0.17 0.00 0.00 -2.04 0.00 0.00 64.34 62.06 3hll n VAL 239 Cb 0.36 0.80 0.00 0.00 -1.47 0.00 0.00 33.84 33.53 3hll n VAL 239 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hll n GLY 240 N 1.40 -0.62 3.75 7.63 0.00 0.63 -4.17 105.19 113.81 3hll n GLY 240 Ca 0.10 -1.54 -0.32 0.00 0.00 0.00 0.00 46.02 44.25 3hll n GLY 240 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hll s THR 241 N -3.09 3.00 0.25 2.61 -4.23 -0.61 -4.68 115.64 108.88 3hll s THR 241 Ca 0.00 0.39 -0.31 0.00 -1.18 0.00 0.00 61.69 60.60 3hll s THR 241 Cb 0.00 -2.84 -0.14 0.00 1.34 0.00 0.00 72.50 70.86 3hll s THR 241 CO 0.00 -0.36 1.26 -2.65 -0.54 0.00 0.00 174.62 172.34 3hll n PRO 242 N -3.12 1.72 -1.78 3.99 -0.02 -1.26 -4.88 135.00 129.64 3hll n PRO 242 Ca 0.10 0.61 -0.29 0.00 -2.02 0.00 0.00 63.50 61.90 3hll n PRO 242 Cb 0.52 -2.17 0.16 0.00 -0.02 0.00 0.00 33.50 32.00 3hll n PRO 242 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3hll s GLY 243 N -0.01 1.69 0.29 -1.23 0.00 -1.26 -4.80 107.32 102.00 3hll s GLY 243 Ca 0.66 -0.95 -0.03 0.00 0.00 0.00 0.00 44.72 44.40 3hll s GLY 243 CO 0.54 -0.26 1.96 0.00 0.00 0.00 0.00 173.10 175.33 3hll h ALA 244 N -1.58 1.39 -0.44 3.20 0.00 -1.99 -0.90 119.26 118.94 3hll h ALA 244 Ca -0.46 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.38 3hll h ALA 244 Cb 1.28 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 3hll h ALA 244 CO 0.48 0.56 0.21 1.49 0.00 0.00 0.00 179.25 181.99 3hll h GLU 245 N 1.16 0.63 -0.34 0.00 4.81 -2.00 -2.12 114.58 116.73 3hll h GLU 245 Ca 0.32 -0.09 -0.13 0.00 -0.13 0.00 0.00 59.36 59.33 3hll h GLU 245 Cb -0.13 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.13 3hll h GLU 245 CO -0.07 0.54 -0.30 1.25 -0.73 0.00 0.00 179.01 179.70 3hll h LEU 246 N 0.57 0.85 -1.13 1.64 5.85 -1.87 -3.17 115.31 118.04 3hll h LEU 246 Ca 0.15 -0.46 0.10 0.00 0.84 0.00 0.00 57.88 58.52 3hll h LEU 246 Cb 0.11 -0.24 -0.07 0.00 0.37 0.00 0.00 40.66 40.83 3hll h LEU 246 CO -0.02 1.13 0.60 -0.07 -0.34 0.00 0.00 178.44 179.74 3hll h LEU 247 N 0.58 0.85 -2.89 2.25 3.38 -1.01 -0.30 115.31 118.17 3hll h LEU 247 Ca 0.06 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 3hll h LEU 247 Cb 0.88 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.48 3hll h LEU 247 CO 0.08 0.49 -0.00 0.11 0.09 0.00 0.00 178.44 179.20 3hll h LYS 248 N 0.93 0.00 -0.02 1.13 1.57 -1.36 -2.49 116.57 116.34 3hll h LYS 248 Ca 0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.22 3hll h LYS 248 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.74 3hll h LYS 248 CO -0.20 0.00 -0.05 1.63 -0.57 0.00 0.00 179.45 180.26 3hll n LYS 249 N -3.16 1.71 -3.28 3.15 5.02 -0.12 -4.83 118.16 116.65 3hll n LYS 249 Ca -0.03 -1.15 -0.43 0.00 -2.02 0.00 0.00 58.31 54.68 3hll n LYS 249 Cb 0.08 -1.48 -0.08 0.00 -0.02 0.00 0.00 35.03 33.53 3hll n LYS 249 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3hll s ILE 250 N -2.08 5.04 0.08 -0.18 1.01 -0.94 -4.93 121.20 119.19 3hll s ILE 250 Ca 0.33 -0.24 -0.17 0.00 0.00 0.00 0.00 60.65 60.58 3hll s ILE 250 Cb 0.20 -4.06 -0.11 0.00 0.01 0.00 0.00 42.46 38.50 3hll s ILE 250 CO 0.36 -0.44 1.39 -1.28 0.00 0.00 0.00 174.94 174.96 3hll h SER 251 N 8.74 0.63 -2.53 3.58 0.87 -1.89 -3.45 113.55 119.51 3hll h SER 251 Ca -0.26 -0.48 -0.55 0.00 -1.23 0.00 0.00 61.79 59.27 3hll h SER 251 Cb 1.11 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 62.89 3hll h SER 251 CO 0.81 0.98 1.16 -0.55 -0.53 0.00 0.00 176.83 178.70 3hll s SER 252 N -6.42 6.50 0.09 6.23 0.15 -1.26 -4.90 113.70 114.09 3hll s SER 252 Ca -0.13 2.25 -0.22 0.00 0.70 0.00 0.00 55.95 58.55 3hll s SER 252 Cb 0.07 -2.53 -0.12 0.00 -1.71 0.00 0.00 66.02 61.73 3hll s SER 252 CO 0.81 -1.07 1.71 -0.08 1.20 0.00 0.00 173.24 175.81 3hll h GLU 253 N 10.30 0.12 -0.65 5.44 4.57 -1.99 -1.31 114.58 131.06 3hll h GLU 253 Ca -0.41 -0.01 0.04 0.00 -1.18 0.00 0.00 59.36 57.80 3hll h GLU 253 Cb 1.19 -0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 29.71 3hll h GLU 253 CO 0.96 0.13 0.38 0.66 -1.18 0.00 0.00 179.01 179.96 3hll h SER 254 N 0.07 0.59 -0.80 1.04 4.64 -1.99 0.14 113.55 117.24 3hll h SER 254 Ca 0.03 0.02 -0.04 0.00 -0.47 0.00 0.00 61.79 61.33 3hll h SER 254 Cb 0.04 -0.11 -0.04 0.00 -0.31 0.00 0.00 62.40 61.99 3hll h SER 254 CO -0.01 0.40 0.35 0.00 -0.87 0.00 0.00 176.83 176.70 3hll h ALA 255 N 1.31 1.04 -0.17 5.18 0.00 -1.91 -2.56 119.26 122.15 3hll h ALA 255 Ca 0.28 -0.18 -0.20 0.00 0.00 0.00 0.00 54.91 54.80 3hll h ALA 255 Cb 0.11 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 17.59 3hll h ALA 255 CO -0.14 0.64 -0.69 0.00 0.00 0.00 0.00 179.25 179.06 3hll h ARG 256 N 1.16 0.77 -0.76 0.00 3.08 -0.84 -2.06 114.38 115.74 3hll h ARG 256 Ca 0.27 -0.60 0.12 0.00 0.07 0.00 0.00 59.98 59.85 3hll h ARG 256 Cb 0.17 0.12 -0.09 0.00 0.08 0.00 0.00 29.97 30.25 3hll h ARG 256 CO -0.03 1.21 0.35 -0.91 -1.07 0.00 0.00 179.97 179.53 3hll h ASN 257 N 0.50 0.41 0.26 7.04 -0.26 -0.66 0.38 115.58 123.26 3hll h ASN 257 Ca -0.04 0.09 -0.01 0.00 -0.56 0.00 0.00 56.30 55.78 3hll h ASN 257 Cb 1.32 0.03 0.00 0.00 -1.06 0.00 0.00 38.32 38.61 3hll h ASN 257 CO 0.14 0.19 -0.13 0.22 -1.06 0.00 0.00 177.43 176.80 3hll h TYR 258 N 0.55 -0.33 0.11 1.19 3.20 -1.38 -2.08 116.97 118.24 3hll h TYR 258 Ca 0.40 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.27 3hll h TYR 258 Cb 0.53 0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.90 3hll h TYR 258 CO -0.13 0.03 -0.14 0.82 -1.64 0.00 0.00 178.16 177.10 3hll h ILE 259 N -0.76 0.69 0.00 1.81 2.04 -1.18 -2.37 117.51 117.74 3hll h ILE 259 Ca -0.04 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.82 3hll h ILE 259 Cb 0.50 0.69 0.00 0.00 -0.74 0.00 0.00 36.82 37.27 3hll h ILE 259 CO 0.06 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.21 3hll n GLN 260 N -5.26 0.14 0.05 2.37 6.02 0.11 -1.95 117.38 118.86 3hll n GLN 260 Ca -0.07 0.37 0.12 0.00 -0.01 0.00 0.00 57.00 57.41 3hll n GLN 260 Cb 0.18 -1.77 0.25 0.00 1.02 0.00 0.00 30.24 29.92 3hll n GLN 260 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 3hll n SER 261 N -2.04 0.63 -4.80 1.08 7.64 -0.78 -4.89 113.62 110.46 3hll n SER 261 Ca 0.03 0.16 -0.34 0.00 1.01 0.00 0.00 58.87 59.73 3hll n SER 261 Cb 0.22 -0.02 -0.03 0.00 -1.01 0.00 0.00 64.21 63.36 3hll n SER 261 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3hll s LEU 262 N -3.98 3.80 0.20 -3.43 1.43 -0.82 -4.98 118.68 110.90 3hll s LEU 262 Ca 0.08 1.88 -0.32 0.00 -1.03 0.00 0.00 54.13 54.74 3hll s LEU 262 Cb 0.14 -4.55 -0.11 0.00 0.03 0.00 0.00 46.19 41.70 3hll s LEU 262 CO 0.68 -0.78 1.67 -0.89 0.23 0.00 0.00 176.35 177.26 3hll s THR 263 N -2.08 2.20 0.30 5.49 2.01 -1.26 -4.92 115.64 117.37 3hll s THR 263 Ca 0.66 0.14 -0.29 0.00 0.31 0.00 0.00 61.69 62.51 3hll s THR 263 Cb -0.15 -3.09 -0.10 0.00 0.01 0.00 0.00 72.50 69.17 3hll s THR 263 CO 0.22 0.01 1.25 0.00 -0.69 0.00 0.00 174.62 175.41 3hll s GLN 264 N 1.02 4.44 -0.01 4.92 1.03 -1.26 -4.93 119.66 124.86 3hll s GLN 264 Ca 0.72 2.08 0.04 0.00 0.04 0.00 0.00 55.36 58.25 3hll s GLN 264 Cb -0.48 -3.12 -0.01 0.00 0.03 0.00 0.00 33.01 29.43 3hll s GLN 264 CO 0.33 -0.08 -0.14 -1.64 -2.54 0.00 0.00 175.29 171.22 3hll s MET 265 N -1.49 1.17 0.58 9.60 -1.94 -1.26 -4.97 119.30 120.99 3hll s MET 265 Ca 0.49 -0.50 -0.15 0.00 -1.71 0.00 0.00 55.69 53.81 3hll s MET 265 Cb -0.37 -1.12 -0.04 0.00 2.01 0.00 0.00 34.83 35.30 3hll s MET 265 CO 0.48 0.30 1.04 -1.25 -0.01 0.00 0.00 175.02 175.57 3hll s PRO 266 N -0.30 3.47 0.25 2.03 0.04 -1.26 -1.57 135.00 137.65 3hll s PRO 266 Ca 0.05 1.08 -0.30 0.00 0.04 0.00 0.00 61.00 61.86 3hll s PRO 266 Cb -0.06 -2.06 -0.11 0.00 0.04 0.00 0.00 34.50 32.31 3hll s PRO 266 CO -0.00 -0.68 1.56 0.21 0.04 0.00 0.00 177.00 178.13 3hll s LYS 267 N -4.25 4.18 0.79 4.56 2.20 -1.26 -3.80 119.74 122.17 3hll s LYS 267 Ca 0.61 2.46 -0.12 0.00 -0.36 0.00 0.00 55.97 58.57 3hll s LYS 267 Cb -0.14 -3.08 0.07 0.00 -1.51 0.00 0.00 37.83 33.17 3hll s LYS 267 CO 0.38 -0.58 1.11 -1.64 -0.36 0.00 0.00 175.35 174.27 3hll s MET 268 N 0.00 2.15 -0.45 4.03 -1.94 0.63 -4.89 119.30 118.83 3hll s MET 268 Ca 0.64 0.46 -0.26 0.00 -1.71 0.00 0.00 55.69 54.83 3hll s MET 268 Cb -0.46 -1.94 0.03 0.00 2.01 0.00 0.00 34.83 34.47 3hll s MET 268 CO 0.42 -1.53 0.94 1.21 -0.01 0.00 0.00 175.02 176.05 3hll s ASN 269 N -4.15 6.53 0.29 3.03 3.84 -1.26 -4.92 114.94 118.30 3hll s ASN 269 Ca 0.61 0.21 -0.01 0.00 0.21 0.00 0.00 52.86 53.88 3hll s ASN 269 Cb -0.13 -2.46 0.44 0.00 -0.55 0.00 0.00 41.25 38.55 3hll s ASN 269 CO 0.53 -1.04 1.88 -0.26 -2.79 0.00 0.00 177.10 175.41 3hll h PHE 270 N 9.01 0.88 -0.45 0.43 -1.00 -1.95 -1.35 116.94 122.51 3hll h PHE 270 Ca -0.24 -0.05 0.13 0.00 2.81 0.00 0.00 57.97 60.62 3hll h PHE 270 Cb 1.07 -0.27 -0.02 0.00 3.61 0.00 0.00 35.95 40.35 3hll h PHE 270 CO 0.87 0.68 0.32 0.00 -1.61 0.00 0.00 178.31 178.57 3hll h ALA 271 N 1.40 2.40 0.15 2.45 0.00 -1.91 -0.01 119.26 123.74 3hll h ALA 271 Ca 0.20 -0.02 -0.33 0.00 0.00 0.00 0.00 54.91 54.77 3hll h ALA 271 Cb 0.17 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3hll h ALA 271 CO -0.02 -0.53 -1.67 -0.91 0.00 0.00 0.00 179.25 176.12 3hll h ASN 272 N 0.02 0.50 -0.70 0.00 2.35 -1.65 -3.20 115.58 112.89 3hll h ASN 272 Ca 0.21 -0.91 -0.03 0.00 -0.55 0.00 0.00 56.30 55.03 3hll h ASN 272 Cb 0.83 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 39.01 3hll h ASN 272 CO -0.01 1.74 0.32 0.58 -1.65 0.00 0.00 177.43 178.42 3hll h VAL 273 N -0.06 1.24 -0.92 2.81 2.07 -0.88 -2.82 116.25 117.68 3hll h VAL 273 Ca -0.34 -0.68 -0.60 0.00 0.82 0.00 0.00 66.70 65.89 3hll h VAL 273 Cb 1.96 0.38 -0.30 0.00 -1.52 0.00 0.00 31.29 31.81 3hll h VAL 273 CO 0.12 0.28 0.52 0.49 0.02 0.00 0.00 177.57 179.00 3hll n PHE 274 N -4.42 3.00 -0.06 1.57 3.72 -0.05 -4.93 117.46 116.29 3hll n PHE 274 Ca 0.06 -2.65 0.04 0.00 -0.05 0.00 0.00 57.45 54.85 3hll n PHE 274 Cb 0.14 -1.15 0.07 0.00 -0.94 0.00 0.00 39.48 37.60 3hll n PHE 274 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 176.76 177.15 3hll n ILE 275 N -0.94 -0.08 0.28 4.37 -6.64 -1.07 -1.16 119.36 114.13 3hll n ILE 275 Ca 0.58 0.40 0.06 0.00 -1.77 0.00 0.00 62.75 62.02 3hll n ILE 275 Cb 0.88 -0.60 0.10 0.00 -1.44 0.00 0.00 39.64 38.58 3hll n ILE 275 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 3hll n GLY 276 N -1.08 0.85 3.82 3.28 0.00 -1.26 -4.94 105.19 105.86 3hll n GLY 276 Ca 0.05 -0.39 -0.31 0.00 0.00 0.00 0.00 46.02 45.36 3hll n GLY 276 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hll s ALA 277 N -1.05 2.74 -0.09 4.61 0.00 -0.31 -4.96 121.76 122.70 3hll s ALA 277 Ca 0.19 0.15 -0.38 0.00 0.00 0.00 0.00 51.96 51.92 3hll s ALA 277 Cb 0.12 -3.18 -0.16 0.00 0.00 0.00 0.00 23.12 19.90 3hll s ALA 277 CO 0.17 -1.05 1.58 -1.71 0.00 0.00 0.00 175.76 174.75 3hll n ASN 278 N -2.79 2.22 0.22 0.00 2.85 -1.26 -4.85 115.26 111.65 3hll n ASN 278 Ca 0.08 1.08 0.16 0.00 -0.11 0.00 0.00 54.58 55.79 3hll n ASN 278 Cb 0.53 -1.20 0.82 0.00 1.24 0.00 0.00 39.78 41.18 3hll n ASN 278 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3hll h PRO 279 N 6.24 0.00 -0.61 1.20 0.11 -1.96 0.43 132.00 137.42 3hll h PRO 279 Ca -0.47 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.54 3hll h PRO 279 Cb 1.32 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.41 3hll h PRO 279 CO 0.88 0.00 -0.01 -0.07 -0.21 0.00 0.00 178.00 178.60 3hll h LEU 280 N 0.00 1.05 -0.35 2.35 4.07 -1.99 -1.94 115.31 118.50 3hll h LEU 280 Ca 0.07 -0.30 -0.03 0.00 0.08 0.00 0.00 57.88 57.70 3hll h LEU 280 Cb 0.38 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 41.82 3hll h LEU 280 CO -0.00 1.10 0.11 0.00 -1.08 0.00 0.00 178.44 178.58 3hll h ALA 281 N 1.00 0.45 -0.51 1.53 0.00 -1.32 -1.11 119.26 119.31 3hll h ALA 281 Ca 0.17 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 54.96 3hll h ALA 281 Cb 0.57 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 3hll h ALA 281 CO 0.03 0.09 0.28 0.28 0.00 0.00 0.00 179.25 179.93 3hll h VAL 282 N 0.41 1.00 -0.22 0.00 2.07 -1.26 -0.26 116.25 117.99 3hll h VAL 282 Ca 0.11 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.45 3hll h VAL 282 Cb 0.24 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 3hll h VAL 282 CO -0.00 0.10 0.14 -0.78 0.02 0.00 0.00 177.57 177.05 3hll h ASP 283 N 0.55 0.25 -0.45 0.57 3.58 -1.14 -1.64 116.42 118.15 3hll h ASP 283 Ca 0.22 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.66 3hll h ASP 283 Cb 0.09 -0.06 -0.02 0.00 1.72 0.00 0.00 39.33 41.05 3hll h ASP 283 CO -0.13 0.19 0.28 0.25 -2.88 0.00 0.00 179.24 176.95 3hll h LEU 284 N 0.30 0.53 -0.54 2.28 5.85 -1.00 -2.64 115.31 120.09 3hll h LEU 284 Ca 0.08 -0.04 0.10 0.00 0.84 0.00 0.00 57.88 58.86 3hll h LEU 284 Cb -0.03 -0.13 -0.09 0.00 0.37 0.00 0.00 40.66 40.78 3hll h LEU 284 CO -0.02 0.42 0.03 -0.07 -0.34 0.00 0.00 178.44 178.46 3hll h LEU 285 N 0.60 -0.17 -1.49 2.25 4.07 -0.67 -0.81 115.31 119.09 3hll h LEU 285 Ca 0.16 0.12 -0.02 0.00 0.08 0.00 0.00 57.88 58.23 3hll h LEU 285 Cb -0.03 0.20 -0.00 0.00 1.08 0.00 0.00 40.66 41.91 3hll h LEU 285 CO -0.03 -0.06 -0.08 1.05 -1.08 0.00 0.00 178.44 178.24 3hll h GLU 286 N 0.15 0.00 0.00 1.13 4.11 -1.01 0.37 114.58 119.33 3hll h GLU 286 Ca 0.28 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.61 3hll h GLU 286 Cb 0.42 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 3hll h GLU 286 CO -0.43 0.08 -0.52 0.87 0.07 0.00 0.00 179.01 179.08 3hll h LYS 287 N 0.00 0.00 0.11 1.06 1.57 -0.86 -3.31 116.57 115.14 3hll h LYS 287 Ca -0.00 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.46 3hll h LYS 287 Cb 0.54 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 3hll h LYS 287 CO 0.01 0.44 -1.68 0.52 -0.57 0.00 0.00 179.45 178.17 3hll h MET 288 N 0.00 0.22 -1.01 3.15 2.86 -0.78 -1.43 114.93 117.95 3hll h MET 288 Ca -0.01 -0.38 -0.62 0.00 -2.06 0.00 0.00 59.70 56.62 3hll h MET 288 Cb 1.36 0.14 -0.29 0.00 0.06 0.00 0.00 31.60 32.87 3hll h MET 288 CO 0.06 1.05 0.80 1.28 1.06 0.00 0.00 176.91 181.16 3hll n LEU 289 N -3.40 7.38 -4.72 1.22 4.77 0.08 -4.19 117.00 118.14 3hll n LEU 289 Ca -0.21 -4.05 -0.42 0.00 -0.03 0.00 0.00 56.01 51.31 3hll n LEU 289 Cb 1.05 -0.94 -0.03 0.00 -2.33 0.00 0.00 43.42 41.17 3hll n LEU 289 CO 0.48 1.34 0.76 -0.69 -1.33 0.00 0.00 177.39 177.95 3hll s VAL 290 N -4.29 4.37 0.07 4.08 1.01 -1.24 -4.92 120.40 119.48 3hll s VAL 290 Ca 0.61 1.79 -0.30 0.00 0.00 0.00 0.00 61.98 64.09 3hll s VAL 290 Cb 0.49 -4.15 -0.18 0.00 0.00 0.00 0.00 36.38 32.55 3hll s VAL 290 CO 0.02 0.19 1.64 0.25 0.00 0.00 0.00 175.10 177.20 3hll h LEU 291 N 6.33 -0.55 -8.95 3.92 5.85 -1.92 -3.39 115.31 116.59 3hll h LEU 291 Ca -0.42 0.01 -0.57 0.00 0.84 0.00 0.00 57.88 57.74 3hll h LEU 291 Cb 1.22 0.14 -0.02 0.00 0.37 0.00 0.00 40.66 42.36 3hll h LEU 291 CO 0.76 -0.38 1.23 -0.62 -0.34 0.00 0.00 178.44 179.09 3hll s ASP 292 N -4.63 6.06 0.60 1.25 -1.08 -1.26 -4.86 116.67 112.76 3hll s ASP 292 Ca -0.16 1.50 0.33 0.00 -0.52 0.00 0.00 52.55 53.70 3hll s ASP 292 Cb 0.04 -2.53 1.95 0.00 -1.46 0.00 0.00 42.92 40.92 3hll s ASP 292 CO 0.63 -1.54 2.27 0.77 0.52 0.00 0.00 175.17 177.82 3hll h SER 293 N 12.15 0.00 0.79 -0.34 4.64 -1.98 -0.27 113.55 128.54 3hll h SER 293 Ca -0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 3hll h SER 293 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 3hll h SER 293 CO 1.01 0.01 0.00 0.44 -0.87 0.00 0.00 176.83 177.42 3hll h ASP 294 N 0.00 0.00 -0.13 4.97 3.32 -1.93 -3.03 116.42 119.62 3hll h ASP 294 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3hll h ASP 294 Cb 0.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.58 3hll h ASP 294 CO 0.00 0.00 0.00 0.29 -1.72 0.00 0.00 179.24 177.81 3hll n LYS 295 N -2.52 1.52 -2.94 3.56 4.76 -0.11 -5.00 118.16 117.42 3hll n LYS 295 Ca 0.01 -1.61 -0.37 0.00 -2.87 0.00 0.00 58.31 53.48 3hll n LYS 295 Cb 0.25 -1.31 -0.06 0.00 -1.84 0.00 0.00 35.03 32.06 3hll n LYS 295 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 3hll s ARG 296 N -1.21 4.46 0.49 1.97 3.52 -1.15 -4.93 118.95 122.10 3hll s ARG 296 Ca 0.21 1.12 -0.23 0.00 -0.13 0.00 0.00 55.73 56.70 3hll s ARG 296 Cb 0.14 -2.94 -0.06 0.00 -1.56 0.00 0.00 34.95 30.53 3hll s ARG 296 CO 0.20 0.39 1.26 -1.50 -0.81 0.00 0.00 175.30 174.84 3hll s ILE 297 N -1.47 2.60 0.57 4.11 2.07 -0.54 -5.02 121.20 123.52 3hll s ILE 297 Ca 0.44 0.46 -0.03 0.00 -1.41 0.00 0.00 60.65 60.11 3hll s ILE 297 Cb -0.19 -3.24 0.02 0.00 0.13 0.00 0.00 42.46 39.18 3hll s ILE 297 CO 0.23 0.00 0.84 0.42 -1.91 0.00 0.00 174.94 174.53 3hll s THR 298 N -1.41 3.36 0.18 4.00 -4.23 -1.26 -4.89 115.64 111.38 3hll s THR 298 Ca 0.66 -0.27 -0.13 0.00 -1.18 0.00 0.00 61.69 60.77 3hll s THR 298 Cb -0.35 -3.31 0.08 0.00 1.34 0.00 0.00 72.50 70.26 3hll s THR 298 CO 0.42 -0.28 1.83 0.00 -0.54 0.00 0.00 174.62 176.05 3hll h ALA 299 N -0.06 0.73 -0.44 3.99 0.00 -1.94 -0.14 119.26 121.40 3hll h ALA 299 Ca -0.45 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.39 3hll h ALA 299 Cb 1.27 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 3hll h ALA 299 CO 0.58 0.19 0.21 0.00 0.00 0.00 0.00 179.25 180.23 3hll h ALA 300 N 1.20 0.57 -0.86 0.00 0.00 -1.94 -1.59 119.26 116.64 3hll h ALA 300 Ca 0.21 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 3hll h ALA 300 Cb -0.06 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.51 3hll h ALA 300 CO -0.04 0.14 0.42 1.96 0.00 0.00 0.00 179.25 181.73 3hll h GLN 301 N 0.57 1.23 -0.54 0.00 4.20 -1.90 -2.88 115.11 115.79 3hll h GLN 301 Ca 0.15 -0.18 -0.08 0.00 0.06 0.00 0.00 58.65 58.60 3hll h GLN 301 Cb 0.13 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 27.67 3hll h GLN 301 CO -0.02 0.94 -0.00 0.00 -0.67 0.00 0.00 178.83 179.08 3hll h ALA 302 N 1.23 0.97 -0.20 3.87 0.00 -0.73 -2.39 119.26 122.02 3hll h ALA 302 Ca 0.29 -0.29 0.03 0.00 0.00 0.00 0.00 54.91 54.95 3hll h ALA 302 Cb 0.11 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3hll h ALA 302 CO -0.04 0.62 0.14 -0.07 0.00 0.00 0.00 179.25 179.90 3hll h LEU 303 N 0.86 0.11 -0.28 0.00 3.38 -1.08 -0.83 115.31 117.47 3hll h LEU 303 Ca 0.16 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3hll h LEU 303 Cb 0.51 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.23 3hll h LEU 303 CO 0.02 0.08 -0.09 0.00 0.09 0.00 0.00 178.44 178.55 3hll n ALA 304 N -2.54 2.73 -1.77 1.53 0.00 -0.91 -4.75 120.51 114.81 3hll n ALA 304 Ca 0.01 -0.28 -0.39 0.00 0.00 0.00 0.00 53.44 52.78 3hll n ALA 304 Cb 0.18 -1.34 -0.02 0.00 0.00 0.00 0.00 19.45 18.28 3hll n ALA 304 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3hll s HIS 305 N -2.37 3.01 0.63 0.00 5.04 -0.32 -4.91 115.29 116.38 3hll s HIS 305 Ca 0.32 1.48 0.35 0.00 -1.54 0.00 0.00 55.06 55.67 3hll s HIS 305 Cb 0.20 -3.55 1.97 0.00 0.04 0.00 0.00 32.58 31.24 3hll s HIS 305 CO 0.45 -1.67 2.19 0.00 -2.34 0.00 0.00 174.74 173.37 3hll h ALA 306 N 2.91 1.38 -0.63 1.58 0.00 -1.90 -0.94 119.26 121.66 3hll h ALA 306 Ca -0.49 -0.00 0.13 0.00 0.00 0.00 0.00 54.91 54.55 3hll h ALA 306 Cb 1.24 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.99 3hll h ALA 306 CO 0.63 -0.15 0.43 -0.92 0.00 0.00 0.00 179.25 179.24 3hll h TYR 307 N 0.00 0.32 -0.58 0.00 3.20 -1.91 -2.25 116.97 115.75 3hll h TYR 307 Ca 0.03 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.90 3hll h TYR 307 Cb 0.27 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.44 3hll h TYR 307 CO 0.00 0.14 0.00 1.19 -1.64 0.00 0.00 178.16 177.85 3hll n PHE 308 N -4.45 2.01 -0.30 -3.82 3.01 -0.36 -4.67 117.46 108.89 3hll n PHE 308 Ca 0.11 -0.71 0.13 0.00 1.01 0.00 0.00 57.45 58.00 3hll n PHE 308 Cb 0.50 -0.48 0.30 0.00 -0.01 0.00 0.00 39.48 39.79 3hll n PHE 308 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3hll h ALA 309 N 4.03 1.38 0.00 4.37 0.00 -1.54 0.15 119.26 127.65 3hll h ALA 309 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3hll h ALA 309 Cb 1.92 0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.93 3hll h ALA 309 CO 0.46 -0.41 0.00 -0.56 0.00 0.00 0.00 179.25 178.74 3hll h GLN 310 N 0.31 0.00 0.00 0.00 3.07 -1.86 -3.32 115.11 113.31 3hll h GLN 310 Ca 0.56 0.00 -0.14 0.00 0.09 0.00 0.00 58.65 59.16 3hll h GLN 310 Cb 1.11 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.64 3hll h GLN 310 CO -0.58 0.00 -1.51 0.66 0.09 0.00 0.00 178.83 177.49 3hll n TYR 311 N -2.39 0.00 -2.00 0.06 4.02 0.06 -5.06 117.16 111.86 3hll n TYR 311 Ca 0.03 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.50 3hll n TYR 311 Cb 0.30 -0.37 -0.03 0.00 -0.02 0.00 0.00 39.34 39.23 3hll n TYR 311 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 3hll s HIS 312 N -2.18 2.93 -0.20 -0.72 2.46 0.30 -5.01 115.29 112.87 3hll s HIS 312 Ca -0.04 0.63 -0.04 0.00 0.47 0.00 0.00 55.06 56.08 3hll s HIS 312 Cb 0.02 -3.87 0.09 0.00 -0.13 0.00 0.00 32.58 28.69 3hll s HIS 312 CO 0.30 -3.27 0.21 0.34 -2.47 0.00 0.00 174.74 169.86 3hll s ASP 313 N 1.49 1.39 0.48 9.88 -1.08 -1.26 -4.99 116.67 122.57 3hll s ASP 313 Ca 0.70 -0.21 0.15 0.00 -0.52 0.00 0.00 52.55 52.67 3hll s ASP 313 Cb -0.41 0.35 1.12 0.00 -1.46 0.00 0.00 42.92 42.52 3hll s ASP 313 CO 0.31 -0.32 2.05 -0.65 0.52 0.00 0.00 175.17 177.08 3hll h PRO 314 N 8.32 0.00 0.00 4.34 0.11 -1.95 -0.32 132.00 142.50 3hll h PRO 314 Ca -0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.94 3hll h PRO 314 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3hll h PRO 314 CO 0.27 0.11 0.00 -0.25 -0.21 0.00 0.00 178.00 177.93 3hll n ASP 315 N -4.38 0.00 -1.03 -2.05 8.00 -1.26 -3.39 116.55 112.44 3hll n ASP 315 Ca -0.03 0.14 0.03 0.00 0.71 0.00 0.00 54.79 55.64 3hll n ASP 315 Cb 0.19 -0.36 0.14 0.00 -0.02 0.00 0.00 41.12 41.07 3hll n ASP 315 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3hll n ASP 316 N -1.36 1.72 -3.42 -2.24 4.64 -0.14 -4.85 116.55 110.91 3hll n ASP 316 Ca 0.09 -3.28 -0.26 0.00 -1.38 0.00 0.00 54.79 49.96 3hll n ASP 316 Cb 0.21 -0.45 -0.09 0.00 -1.04 0.00 0.00 41.12 39.75 3hll n ASP 316 CO 0.00 0.00 0.00 -0.62 -0.82 0.00 0.00 177.20 175.76 3hll n GLU 317 N -0.60 1.32 -1.70 -0.67 1.02 -1.17 -4.91 120.64 113.93 3hll n GLU 317 Ca 0.17 -3.85 -0.34 0.00 -0.02 0.00 0.00 57.16 53.12 3hll n GLU 317 Cb 0.85 -1.79 0.06 0.00 -0.02 0.00 0.00 31.44 30.53 3hll n GLU 317 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3hll s PRO 318 N -1.35 2.64 0.25 3.49 0.04 -1.26 -4.97 135.00 133.84 3hll s PRO 318 Ca 0.34 1.53 0.03 0.00 0.04 0.00 0.00 61.00 62.95 3hll s PRO 318 Cb 0.10 -1.92 -0.03 0.00 0.04 0.00 0.00 34.50 32.69 3hll s PRO 318 CO -0.11 -1.40 0.40 0.08 0.04 0.00 0.00 177.00 176.01 3hll s VAL 319 N -2.17 5.23 0.31 -0.36 1.01 -1.26 -4.17 120.40 118.99 3hll s VAL 319 Ca 0.70 -0.80 -0.18 0.00 0.00 0.00 0.00 61.98 61.70 3hll s VAL 319 Cb -0.24 -3.84 -0.09 0.00 0.00 0.00 0.00 36.38 32.21 3hll s VAL 319 CO 0.41 -0.35 0.79 0.00 0.00 0.00 0.00 175.10 175.95 3hll s ALA 320 N -2.02 3.29 0.67 5.51 0.00 -1.25 -5.03 121.76 122.93 3hll s ALA 320 Ca 0.36 0.18 -0.17 0.00 0.00 0.00 0.00 51.96 52.33 3hll s ALA 320 Cb -0.09 -2.89 -0.01 0.00 0.00 0.00 0.00 23.12 20.13 3hll s ALA 320 CO 0.30 0.28 1.14 -0.25 0.00 0.00 0.00 175.76 177.23 3hll n ASP 321 N -0.01 1.31 -4.55 0.00 8.00 -1.26 -4.70 116.55 115.34 3hll n ASP 321 Ca 0.02 0.76 -0.54 0.00 0.71 0.00 0.00 54.79 55.75 3hll n ASP 321 Cb 0.52 -1.48 -0.06 0.00 -0.02 0.00 0.00 41.12 40.08 3hll n ASP 321 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 3hll n PRO 322 N -1.84 0.71 -3.98 -0.24 -0.02 -1.26 -4.76 135.00 123.61 3hll n PRO 322 Ca 0.15 0.25 -0.34 0.00 -2.02 0.00 0.00 63.50 61.54 3hll n PRO 322 Cb 0.48 -1.81 -0.15 0.00 -0.02 0.00 0.00 33.50 32.01 3hll n PRO 322 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3hll s TYR 323 N 0.18 2.91 -0.73 6.00 5.04 -1.26 -5.08 117.35 124.41 3hll s TYR 323 Ca 0.85 -1.13 -0.27 0.00 -2.44 0.00 0.00 57.07 54.08 3hll s TYR 323 Cb -1.05 -2.05 0.02 0.00 0.35 0.00 0.00 41.96 39.23 3hll s TYR 323 CO 0.51 -0.61 1.46 0.34 -1.34 0.00 0.00 175.55 175.91 3hll s ASP 324 N 1.41 5.92 -0.01 4.32 2.15 -1.26 -4.84 116.67 124.36 3hll s ASP 324 Ca 0.05 -0.32 0.18 0.00 0.43 0.00 0.00 52.55 52.89 3hll s ASP 324 Cb -0.14 -2.55 0.53 0.00 -0.30 0.00 0.00 42.92 40.46 3hll s ASP 324 CO -0.06 -1.98 1.44 0.00 -0.17 0.00 0.00 175.17 174.40 3hll n GLN 325 N 9.28 2.47 0.15 4.34 6.02 -1.26 -4.55 117.38 133.83 3hll n GLN 325 Ca 0.10 -2.14 0.06 0.00 -0.01 0.00 0.00 57.00 55.01 3hll n GLN 325 Cb 0.50 -1.50 0.54 0.00 1.02 0.00 0.00 30.24 30.80 3hll n GLN 325 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 3hll h SER 326 N 3.42 0.20 -0.26 1.08 4.64 -2.04 -1.04 113.55 119.55 3hll h SER 326 Ca 0.00 -0.01 0.08 0.00 -0.47 0.00 0.00 61.79 61.39 3hll h SER 326 Cb 0.84 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.87 3hll h SER 326 CO 0.02 0.16 0.30 2.19 -0.87 0.00 0.00 176.83 178.64 3hll h PHE 327 N 0.23 0.00 0.00 4.77 -5.15 -1.98 -1.99 116.94 112.82 3hll h PHE 327 Ca 0.06 0.00 -0.01 0.00 -0.20 0.00 0.00 57.97 57.82 3hll h PHE 327 Cb 0.01 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.17 3hll h PHE 327 CO 0.00 0.00 -0.05 0.93 -2.00 0.00 0.00 178.31 177.19 3hll h GLU 328 N 0.00 0.00 -0.00 6.09 4.39 -1.55 -1.26 114.58 122.25 3hll h GLU 328 Ca 0.13 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.83 3hll h GLU 328 Cb 0.73 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.38 3hll h GLU 328 CO -0.00 0.05 -0.15 -1.13 -1.16 0.00 0.00 179.01 176.62 3hll n SER 329 N -4.23 0.22 -4.84 1.42 3.41 -0.75 -4.92 113.62 103.93 3hll n SER 329 Ca -0.03 0.06 -0.37 0.00 -0.26 0.00 0.00 58.87 58.27 3hll n SER 329 Cb 0.13 -0.21 -0.06 0.00 -0.26 0.00 0.00 64.21 63.82 3hll n SER 329 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3hll s ARG 330 N -2.87 3.98 -0.42 4.33 0.52 -0.48 -5.05 118.95 118.97 3hll s ARG 330 Ca 0.17 0.48 -0.05 0.00 -0.52 0.00 0.00 55.73 55.81 3hll s ARG 330 Cb 0.19 -3.09 0.10 0.00 0.52 0.00 0.00 34.95 32.67 3hll s ARG 330 CO 0.56 0.59 0.23 -0.51 0.02 0.00 0.00 175.30 176.19 3hll s ASP 331 N -1.41 5.38 0.26 0.23 -0.00 -1.26 -5.07 116.67 114.80 3hll s ASP 331 Ca 0.31 -1.90 0.09 0.00 -0.00 0.00 0.00 52.55 51.06 3hll s ASP 331 Cb -0.16 -1.88 -0.05 0.00 -0.00 0.00 0.00 42.92 40.82 3hll s ASP 331 CO 0.17 -0.56 -0.15 -0.76 -0.00 0.00 0.00 175.17 173.88 3hll s LEU 332 N 1.23 2.58 0.62 1.23 1.02 -1.26 -5.14 118.68 118.96 3hll s LEU 332 Ca 0.06 -1.07 -0.13 0.00 0.02 0.00 0.00 54.13 53.01 3hll s LEU 332 Cb -0.23 -0.87 -0.03 0.00 0.02 0.00 0.00 46.19 45.08 3hll s LEU 332 CO -0.03 -0.12 1.04 -0.76 0.02 0.00 0.00 176.35 176.51 3hll s LEU 333 N -3.45 3.34 0.20 1.79 1.43 -1.26 -4.88 118.68 115.85 3hll s LEU 333 Ca 0.28 1.65 -0.11 0.00 -1.03 0.00 0.00 54.13 54.92 3hll s LEU 333 Cb -0.01 -4.51 0.25 0.00 0.03 0.00 0.00 46.19 41.96 3hll s LEU 333 CO 0.12 -1.14 1.72 0.40 0.23 0.00 0.00 176.35 177.68 3hll h ILE 334 N -0.03 0.72 0.00 -0.59 2.04 -1.93 -1.27 117.51 116.44 3hll h ILE 334 Ca -0.45 -0.11 -0.03 0.00 1.00 0.00 0.00 64.86 65.27 3hll h ILE 334 Cb 1.21 0.38 -0.00 0.00 -0.74 0.00 0.00 36.82 37.66 3hll h ILE 334 CO 0.58 0.06 -0.16 0.44 0.00 0.00 0.00 178.15 179.07 3hll h ASP 335 N 0.31 0.00 -0.06 1.72 3.45 -1.98 0.12 116.42 119.97 3hll h ASP 335 Ca 0.29 0.00 -0.07 0.00 0.43 0.00 0.00 57.03 57.68 3hll h ASP 335 Cb 0.39 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.16 3hll h ASP 335 CO -0.34 0.16 -0.25 -0.33 -1.57 0.00 0.00 179.24 176.91 3hll h GLU 336 N 0.00 0.28 -0.87 3.56 5.08 -1.63 -0.69 114.58 120.31 3hll h GLU 336 Ca -0.00 -0.22 0.02 0.00 -1.00 0.00 0.00 59.36 58.17 3hll h GLU 336 Cb 0.35 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.59 3hll h GLU 336 CO 0.02 0.85 0.57 -1.49 -1.00 0.00 0.00 179.01 177.97 3hll h TRP 337 N -0.24 1.07 -0.36 4.33 -0.00 -0.95 -0.77 115.95 119.03 3hll h TRP 337 Ca -0.01 0.03 -0.00 0.00 -0.00 0.00 0.00 58.89 58.90 3hll h TRP 337 Cb 0.89 -0.36 -0.02 0.00 -0.00 0.00 0.00 29.16 29.68 3hll h TRP 337 CO 0.13 0.64 0.22 -0.22 -0.00 0.00 0.00 178.44 179.21 3hll h LYS 338 N 1.13 0.49 -0.26 0.49 3.64 -0.76 -0.94 116.57 120.36 3hll h LYS 338 Ca 0.34 -0.04 -0.12 0.00 -1.27 0.00 0.00 60.65 59.56 3hll h LYS 338 Cb -0.05 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.66 3hll h LYS 338 CO -0.10 0.36 -0.32 1.03 -2.27 0.00 0.00 179.45 178.15 3hll h SER 339 N 0.47 0.57 -0.64 4.20 0.87 -0.79 -0.48 113.55 117.76 3hll h SER 339 Ca 0.13 -0.22 -0.04 0.00 -1.23 0.00 0.00 61.79 60.43 3hll h SER 339 Cb -0.01 -0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 61.77 3hll h SER 339 CO -0.03 0.86 0.24 -0.07 -0.53 0.00 0.00 176.83 177.31 3hll h LEU 340 N 0.47 0.89 -0.26 2.23 3.38 -0.97 -0.96 115.31 120.09 3hll h LEU 340 Ca 0.06 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 3hll h LEU 340 Cb 0.79 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 3hll h LEU 340 CO 0.06 0.82 0.03 0.74 0.09 0.00 0.00 178.44 180.19 3hll h THR 341 N 0.90 1.24 -0.38 0.22 2.02 -0.80 -2.32 112.91 113.78 3hll h THR 341 Ca 0.21 -0.82 0.07 0.00 0.77 0.00 0.00 66.41 66.64 3hll h THR 341 Cb 0.22 1.27 -0.06 0.00 -1.74 0.00 0.00 68.15 67.85 3hll h THR 341 CO -0.02 0.26 0.01 0.22 0.37 0.00 0.00 175.52 176.37 3hll h TYR 342 N 0.24 0.00 -0.77 3.16 3.20 -0.95 -0.95 116.97 120.90 3hll h TYR 342 Ca 0.08 0.03 0.15 0.00 3.14 0.00 0.00 58.73 62.12 3hll h TYR 342 Cb 0.36 0.06 -0.10 0.00 1.54 0.00 0.00 36.73 38.59 3hll h TYR 342 CO 0.03 -0.06 0.31 -0.44 -1.64 0.00 0.00 178.16 176.36 3hll h ASP 343 N 0.12 0.30 0.30 -2.11 3.32 -1.01 -1.44 116.42 115.90 3hll h ASP 343 Ca 0.18 0.11 -0.12 0.00 0.02 0.00 0.00 57.03 57.22 3hll h ASP 343 Cb 0.25 0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 3hll h ASP 343 CO -0.30 0.11 -0.49 -0.33 -1.72 0.00 0.00 179.24 176.51 3hll h GLU 344 N 0.45 0.22 -0.06 3.56 4.39 -0.70 -1.38 114.58 121.06 3hll h GLU 344 Ca 0.42 -0.12 -0.01 0.00 0.34 0.00 0.00 59.36 60.00 3hll h GLU 344 Cb 0.65 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.30 3hll h GLU 344 CO -0.41 0.66 0.01 0.28 -1.16 0.00 0.00 179.01 178.39 3hll h VAL 345 N 0.17 1.23 -0.23 3.13 2.07 -0.36 -3.10 116.25 119.16 3hll h VAL 345 Ca 0.01 -0.69 -0.08 0.00 0.82 0.00 0.00 66.70 66.76 3hll h VAL 345 Cb 0.93 1.57 -0.01 0.00 -1.52 0.00 0.00 31.29 32.25 3hll h VAL 345 CO 0.07 0.19 -0.21 0.40 0.02 0.00 0.00 177.57 178.05 3hll h ILE 346 N -0.15 1.24 -0.00 4.57 1.08 -1.22 -2.94 117.51 120.09 3hll h ILE 346 Ca 0.02 -1.13 0.00 0.00 -0.39 0.00 0.00 64.86 63.36 3hll h ILE 346 Cb 0.30 1.30 0.00 0.00 -3.07 0.00 0.00 36.82 35.35 3hll h ILE 346 CO 0.00 0.36 -0.04 -1.54 -0.69 0.00 0.00 178.15 176.24 3hll n SER 347 N -4.16 0.21 -4.73 1.72 3.41 -0.53 -4.92 113.62 104.61 3hll n SER 347 Ca -0.00 -0.46 -0.42 0.00 -0.26 0.00 0.00 58.87 57.73 3hll n SER 347 Cb 0.36 -0.16 -0.02 0.00 -0.26 0.00 0.00 64.21 64.13 3hll n SER 347 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 3hll n PHE 348 N -1.09 2.76 -4.01 7.33 7.35 -1.11 -4.99 117.46 123.70 3hll n PHE 348 Ca 0.16 0.18 -0.34 0.00 -0.76 0.00 0.00 57.45 56.69 3hll n PHE 348 Cb 0.24 -2.62 -0.15 0.00 0.35 0.00 0.00 39.48 37.30 3hll n PHE 348 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 3hll s VAL 349 N 0.49 2.56 0.89 -2.13 1.01 -1.26 -5.08 120.40 116.89 3hll s VAL 349 Ca 0.69 -1.22 -0.10 0.00 0.00 0.00 0.00 61.98 61.35 3hll s VAL 349 Cb -0.52 -2.34 0.13 0.00 0.00 0.00 0.00 36.38 33.66 3hll s VAL 349 CO 0.42 0.16 1.12 -2.16 0.00 0.00 0.00 175.10 174.64 3hll s PRO 350 N 1.25 1.22 0.61 2.72 0.04 -1.26 -4.88 135.00 134.71 3hll s PRO 350 Ca -0.02 1.38 0.29 0.00 0.04 0.00 0.00 61.00 62.68 3hll s PRO 350 Cb -0.17 -1.76 1.52 0.00 0.04 0.00 0.00 34.50 34.12 3hll s PRO 350 CO -0.06 -2.43 1.91 -1.35 0.04 0.00 0.00 177.00 175.11 3hll h PRO 351 N -1.72 0.00 0.00 0.56 0.11 -1.82 -3.53 132.00 125.60 3hll h PRO 351 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3hll h PRO 351 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3hll h PRO 351 CO 0.45 0.00 0.00 -2.30 -0.21 0.00 0.00 178.00 175.94