#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iqa h LEU 44 N 0.00 0.40 -0.93 -2.67 5.85 -1.99 -2.44 115.31 113.53 3iqa h LEU 44 Ca 0.00 -0.36 0.01 0.00 0.84 0.00 0.00 57.88 58.37 3iqa h LEU 44 Cb 0.00 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 40.87 3iqa h LEU 44 CO 0.00 0.66 0.62 0.00 -0.34 0.00 0.00 178.44 179.38 3iqa h ALA 45 N 0.75 1.18 -0.76 1.25 0.00 -1.99 -0.86 119.26 118.83 3iqa h ALA 45 Ca 0.05 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3iqa h ALA 45 Cb 0.48 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 3iqa h ALA 45 CO 0.02 0.58 0.32 -0.44 0.00 0.00 0.00 179.25 179.73 3iqa h ASP 46 N 1.26 1.02 -0.27 0.00 3.32 -1.98 -1.48 116.42 118.29 3iqa h ASP 46 Ca 0.34 -0.14 -0.05 0.00 0.02 0.00 0.00 57.03 57.20 3iqa h ASP 46 Cb -0.14 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.13 3iqa h ASP 46 CO -0.07 0.89 -0.02 0.03 -1.72 0.00 0.00 179.24 178.35 3iqa h ARG 47 N 1.10 0.50 -0.81 3.56 2.47 -0.92 -2.12 114.38 118.15 3iqa h ARG 47 Ca 0.26 -0.17 0.02 0.00 -1.26 0.00 0.00 59.98 58.83 3iqa h ARG 47 Cb 0.18 -0.04 -0.05 0.00 -1.65 0.00 0.00 29.97 28.42 3iqa h ARG 47 CO -0.02 0.68 0.52 0.74 0.56 0.00 0.00 179.97 182.45 3iqa h PHE 48 N 0.27 0.99 -0.45 3.04 0.04 -0.99 -1.87 116.94 117.95 3iqa h PHE 48 Ca 0.07 0.02 -0.05 0.00 2.80 0.00 0.00 57.97 60.82 3iqa h PHE 48 Cb 0.47 -0.33 -0.02 0.00 2.20 0.00 0.00 35.95 38.27 3iqa h PHE 48 CO 0.04 0.59 0.09 0.00 -0.60 0.00 0.00 178.31 178.43 3iqa h ALA 49 N 1.32 1.31 -0.24 2.45 0.00 -1.22 -1.89 119.26 120.99 3iqa h ALA 49 Ca 0.31 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3iqa h ALA 49 Cb -0.04 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3iqa h ALA 49 CO -0.09 0.49 0.13 0.93 0.00 0.00 0.00 179.25 180.70 3iqa h GLU 50 N 0.67 0.33 -0.90 0.00 5.08 -0.94 -2.24 114.58 116.58 3iqa h GLU 50 Ca 0.15 -0.04 0.06 0.00 -1.00 0.00 0.00 59.36 58.53 3iqa h GLU 50 Cb 0.29 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.41 3iqa h GLU 50 CO 0.00 0.30 0.57 -0.07 -1.00 0.00 0.00 179.01 178.81 3iqa h LEU 51 N 0.27 0.90 -0.89 1.33 3.38 -1.05 -0.55 115.31 118.70 3iqa h LEU 51 Ca 0.08 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3iqa h LEU 51 Cb 0.07 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 3iqa h LEU 51 CO -0.01 0.58 0.58 -0.33 0.09 0.00 0.00 178.44 179.34 3iqa h GLU 52 N 1.04 1.18 -0.44 1.13 5.08 -1.06 -1.68 114.58 119.83 3iqa h GLU 52 Ca 0.39 -0.08 -0.14 0.00 -1.00 0.00 0.00 59.36 58.52 3iqa h GLU 52 Cb 0.15 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 3iqa h GLU 52 CO -0.17 0.80 -0.29 0.00 -1.00 0.00 0.00 179.01 178.35 3iqa h ARG 53 N 1.21 0.98 -0.89 2.33 3.08 -0.89 -0.70 114.38 119.50 3iqa h ARG 53 Ca 0.32 -0.46 0.02 0.00 0.07 0.00 0.00 59.98 59.93 3iqa h ARG 53 Cb -0.11 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 29.88 3iqa h ARG 53 CO -0.07 1.13 0.58 -0.09 -1.07 0.00 0.00 179.97 180.45 3iqa h ARG 54 N 0.82 1.14 -0.40 0.04 2.43 -0.73 -3.05 114.38 114.64 3iqa h ARG 54 Ca 0.09 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 3iqa h ARG 54 Cb 0.88 -0.26 0.00 0.00 -0.42 0.00 0.00 29.97 30.17 3iqa h ARG 54 CO 0.08 0.76 0.00 0.66 -1.51 0.00 0.00 179.97 179.95 3iqa n TYR 55 N -4.48 0.52 -3.99 2.20 4.02 -0.67 -4.98 117.16 109.77 3iqa n TYR 55 Ca 0.10 -0.34 -0.40 0.00 -0.01 0.00 0.00 57.90 57.25 3iqa n TYR 55 Cb 0.04 -0.01 0.01 0.00 -0.02 0.00 0.00 39.34 39.36 3iqa n TYR 55 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 3iqa n ASP 56 N 1.11 -3.60 -4.27 7.72 2.03 -0.42 -4.95 116.55 114.17 3iqa n ASP 56 Ca 0.16 -1.20 -0.15 0.00 0.52 0.00 0.00 54.79 54.12 3iqa n ASP 56 Cb 0.51 -2.22 -0.10 0.00 -0.72 0.00 0.00 41.12 38.58 3iqa n ASP 56 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3iqa s ALA 57 N -3.64 1.51 -0.15 -1.67 0.00 -0.40 -4.62 121.76 112.79 3iqa s ALA 57 Ca 0.40 -1.69 -0.03 0.00 0.00 0.00 0.00 51.96 50.64 3iqa s ALA 57 Cb -0.20 0.67 -0.02 0.00 0.00 0.00 0.00 23.12 23.58 3iqa s ALA 57 CO 0.94 -0.35 -0.06 0.50 0.00 0.00 0.00 175.76 176.79 3iqa s ARG 58 N -3.94 3.58 -0.08 0.00 3.52 -0.10 -4.65 118.95 117.29 3iqa s ARG 58 Ca 0.28 -0.57 0.05 0.00 -0.13 0.00 0.00 55.73 55.36 3iqa s ARG 58 Cb 0.06 -2.84 -0.00 0.00 -1.56 0.00 0.00 34.95 30.61 3iqa s ARG 58 CO 0.07 0.22 -0.23 -1.17 -0.81 0.00 0.00 175.30 173.38 3iqa s LEU 59 N 0.39 2.04 -0.06 -0.88 2.96 -1.26 -2.18 118.68 119.68 3iqa s LEU 59 Ca -0.06 -0.51 0.05 0.00 -0.22 0.00 0.00 54.13 53.39 3iqa s LEU 59 Cb -0.15 -1.32 -0.00 0.00 0.50 0.00 0.00 46.19 45.22 3iqa s LEU 59 CO 0.04 0.19 -0.21 -0.83 -1.32 0.00 0.00 176.35 174.21 3iqa s GLY 60 N 0.13 1.15 -0.03 7.98 0.00 0.68 -4.46 107.32 112.78 3iqa s GLY 60 Ca -0.11 -0.87 0.01 0.00 0.00 0.00 0.00 44.72 43.75 3iqa s GLY 60 CO 0.06 -0.42 -0.04 0.14 0.00 0.00 0.00 173.10 172.83 3iqa s VAL 61 N 0.08 0.46 -0.05 1.40 1.01 0.33 -0.90 120.40 122.73 3iqa s VAL 61 Ca -0.08 -0.14 -0.02 0.00 0.00 0.00 0.00 61.98 61.74 3iqa s VAL 61 Cb -0.14 -0.46 0.04 0.00 0.00 0.00 0.00 36.38 35.81 3iqa s VAL 61 CO 0.04 0.18 0.09 -0.47 0.00 0.00 0.00 175.10 174.95 3iqa s TYR 62 N 0.55 -0.07 -0.19 5.22 5.04 -0.31 -1.32 117.35 126.27 3iqa s TYR 62 Ca -0.07 0.34 0.01 0.00 -2.44 0.00 0.00 57.07 54.91 3iqa s TYR 62 Cb -0.10 -0.21 0.04 0.00 0.35 0.00 0.00 41.96 42.03 3iqa s TYR 62 CO -0.00 -0.15 -0.11 0.08 -1.34 0.00 0.00 175.55 174.02 3iqa s VAL 63 N 1.41 1.64 0.61 3.14 1.01 0.22 -1.21 120.40 127.22 3iqa s VAL 63 Ca -0.06 -0.95 -0.19 0.00 0.00 0.00 0.00 61.98 60.78 3iqa s VAL 63 Cb -0.12 -1.68 -0.03 0.00 0.00 0.00 0.00 36.38 34.55 3iqa s VAL 63 CO -0.04 0.23 1.27 -2.84 0.00 0.00 0.00 175.10 173.72 3iqa s PRO 64 N 1.41 2.83 0.51 2.72 0.02 -1.25 -0.90 135.00 140.33 3iqa s PRO 64 Ca -0.00 2.01 -0.23 0.00 0.02 0.00 0.00 61.00 62.80 3iqa s PRO 64 Cb -0.16 -1.96 -0.06 0.00 0.02 0.00 0.00 34.50 32.34 3iqa s PRO 64 CO -0.09 -1.37 1.34 0.00 -0.33 0.00 0.00 177.00 176.55 3iqa s ALA 65 N -1.44 2.93 0.00 -1.55 0.00 -1.26 -4.62 121.76 115.81 3iqa s ALA 65 Ca 0.79 1.29 0.00 0.00 0.00 0.00 0.00 51.96 54.03 3iqa s ALA 65 Cb -0.36 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.23 3iqa s ALA 65 CO 0.39 -1.21 0.00 0.25 0.00 0.00 0.00 175.76 175.19 3iqa n THR 66 N -0.76 0.00 -0.09 0.00 -2.24 -0.58 -4.92 114.28 105.69 3iqa n THR 66 Ca 0.09 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.76 3iqa n THR 66 Cb 0.45 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.60 3iqa n THR 66 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3iqa h GLY 67 N 0.00 -1.22 0.00 3.38 0.00 -1.98 -3.35 103.07 99.90 3iqa h GLY 67 Ca 0.00 0.74 0.00 0.00 0.00 0.00 0.00 47.33 48.07 3iqa h GLY 67 CO 0.00 -0.26 0.00 -1.30 0.00 0.00 0.00 176.54 174.98 3iqa n THR 68 N -4.79 0.00 -4.55 4.70 -2.24 -1.26 -4.98 114.28 101.16 3iqa n THR 68 Ca -0.03 -0.47 -0.34 0.00 -2.27 0.00 0.00 64.05 60.94 3iqa n THR 68 Cb 0.27 1.05 -0.12 0.00 -2.10 0.00 0.00 70.33 69.43 3iqa n THR 68 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3iqa s THR 69 N -0.11 3.71 0.66 4.28 -4.23 -1.26 -5.11 115.64 113.59 3iqa s THR 69 Ca 0.00 -0.45 -0.14 0.00 -1.18 0.00 0.00 61.69 59.92 3iqa s THR 69 Cb 0.00 -2.57 -0.00 0.00 1.34 0.00 0.00 72.50 71.27 3iqa s THR 69 CO 0.00 0.55 1.09 0.00 -0.54 0.00 0.00 174.62 175.71 3iqa s ALA 70 N -0.19 2.54 0.29 3.99 0.00 -1.26 -1.53 121.76 125.60 3iqa s ALA 70 Ca 0.03 0.40 -0.30 0.00 0.00 0.00 0.00 51.96 52.09 3iqa s ALA 70 Cb -0.13 -3.27 -0.12 0.00 0.00 0.00 0.00 23.12 19.60 3iqa s ALA 70 CO 0.03 -1.21 1.51 0.00 0.00 0.00 0.00 175.76 176.09 3iqa n ALA 71 N -2.56 2.02 -2.69 0.00 0.00 -1.26 -4.57 120.51 111.45 3iqa n ALA 71 Ca 0.09 0.38 -0.37 0.00 0.00 0.00 0.00 53.44 53.54 3iqa n ALA 71 Cb 0.53 -2.39 -0.08 0.00 0.00 0.00 0.00 19.45 17.51 3iqa n ALA 71 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3iqa s ILE 72 N -0.17 5.28 -0.06 0.00 1.01 -0.08 -4.92 121.20 122.26 3iqa s ILE 72 Ca 0.64 0.50 -0.02 0.00 0.00 0.00 0.00 60.65 61.77 3iqa s ILE 72 Cb -0.55 -3.63 0.04 0.00 0.01 0.00 0.00 42.46 38.33 3iqa s ILE 72 CO 0.51 0.32 0.13 -1.83 0.00 0.00 0.00 174.94 174.07 3iqa s GLU 73 N 0.97 0.07 -0.09 2.79 -1.05 -1.26 -0.61 118.70 119.52 3iqa s GLU 73 Ca 0.15 0.36 -0.03 0.00 -0.15 0.00 0.00 54.97 55.29 3iqa s GLU 73 Cb -0.14 -0.19 0.05 0.00 -0.44 0.00 0.00 34.13 33.41 3iqa s GLU 73 CO 0.05 -0.17 0.10 -0.47 0.95 0.00 0.00 175.26 175.73 3iqa s TYR 74 N 1.19 0.00 -0.88 4.83 6.14 -0.43 -4.82 117.35 123.38 3iqa s TYR 74 Ca -0.09 0.23 -0.01 0.00 0.64 0.00 0.00 57.07 57.84 3iqa s TYR 74 Cb -0.12 -0.46 0.01 0.00 0.42 0.00 0.00 41.96 41.81 3iqa s TYR 74 CO -0.06 -0.31 0.04 0.54 0.64 0.00 0.00 175.55 176.41 3iqa n ARG 75 N 5.30 -2.47 0.22 4.97 1.74 -1.26 -0.52 116.66 124.65 3iqa n ARG 75 Ca -0.04 0.48 0.16 0.00 -0.77 0.00 0.00 57.85 57.67 3iqa n ARG 75 Cb 0.50 -5.07 0.66 0.00 -1.02 0.00 0.00 32.46 27.53 3iqa n ARG 75 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3iqa h ALA 76 N 1.00 1.00 -0.40 7.54 0.00 -1.88 -1.92 119.26 124.60 3iqa h ALA 76 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3iqa h ALA 76 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3iqa h ALA 76 CO 0.30 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.30 3iqa n ASP 77 N -2.73 3.10 -4.78 0.00 8.00 -1.26 -1.16 116.55 117.73 3iqa n ASP 77 Ca 0.01 -1.94 -0.37 0.00 0.71 0.00 0.00 54.79 53.20 3iqa n ASP 77 Cb 0.24 -0.26 -0.06 0.00 -0.02 0.00 0.00 41.12 41.01 3iqa n ASP 77 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3iqa s GLU 78 N -1.05 4.59 0.16 -1.24 2.02 -0.72 -4.98 118.70 117.48 3iqa s GLU 78 Ca 0.29 1.36 -0.30 0.00 0.02 0.00 0.00 54.97 56.35 3iqa s GLU 78 Cb 0.16 -2.84 -0.07 0.00 0.10 0.00 0.00 34.13 31.48 3iqa s GLU 78 CO 0.21 0.28 1.16 1.03 0.02 0.00 0.00 175.26 177.96 3iqa s ARG 79 N -1.99 4.52 0.05 1.61 0.52 -1.26 -4.30 118.95 118.10 3iqa s ARG 79 Ca 0.50 1.80 0.05 0.00 -0.52 0.00 0.00 55.73 57.55 3iqa s ARG 79 Cb -0.20 -3.27 -0.02 0.00 0.52 0.00 0.00 34.95 31.98 3iqa s ARG 79 CO 0.25 -0.05 -0.14 -0.06 0.02 0.00 0.00 175.30 175.32 3iqa s PHE 80 N 0.05 1.20 0.22 -0.53 0.40 -0.11 -4.95 117.98 114.26 3iqa s PHE 80 Ca 0.52 -0.39 -0.32 0.00 -0.60 0.00 0.00 56.93 56.14 3iqa s PHE 80 Cb -0.31 -0.70 -0.14 0.00 0.51 0.00 0.00 43.02 42.38 3iqa s PHE 80 CO 0.35 0.04 1.34 0.00 0.70 0.00 0.00 175.22 177.65 3iqa n ALA 81 N 1.66 0.58 -0.17 5.36 0.00 -1.26 -1.25 120.51 125.44 3iqa n ALA 81 Ca -0.19 0.43 -0.02 0.00 0.00 0.00 0.00 53.44 53.65 3iqa n ALA 81 Cb 0.54 -2.21 0.05 0.00 0.00 0.00 0.00 19.45 17.84 3iqa n ALA 81 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 3iqa h PHE 82 N 4.03 -0.22 0.00 0.00 -1.00 -1.51 -3.44 116.94 114.80 3iqa h PHE 82 Ca -0.45 0.04 0.00 0.00 2.81 0.00 0.00 57.97 60.38 3iqa h PHE 82 Cb 1.29 0.18 0.00 0.00 3.61 0.00 0.00 35.95 41.03 3iqa h PHE 82 CO 0.56 -0.20 0.00 0.00 -1.61 0.00 0.00 178.31 177.06 3iqa n SER 84 N -2.38 0.00 0.29 0.00 7.64 -1.26 -3.41 113.62 114.49 3iqa n SER 84 Ca 0.00 -0.33 0.16 0.00 1.01 0.00 0.00 58.87 59.70 3iqa n SER 84 Cb 0.00 -0.13 0.87 0.00 -1.01 0.00 0.00 64.21 63.95 3iqa n SER 84 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 3iqa h THR 85 N 0.00 0.40 0.00 0.44 1.35 -1.48 -2.30 112.91 111.32 3iqa h THR 85 Ca 0.00 -0.29 -0.00 0.00 -0.55 0.00 0.00 66.41 65.57 3iqa h THR 85 Cb 0.08 1.20 -0.00 0.00 -1.73 0.00 0.00 68.15 67.70 3iqa h THR 85 CO 0.00 0.05 -0.01 2.19 -0.25 0.00 0.00 175.52 177.51 3iqa h PHE 86 N 0.00 0.00 0.00 4.73 -5.15 -1.76 -2.84 116.94 111.92 3iqa h PHE 86 Ca -0.00 0.00 -0.03 0.00 -0.20 0.00 0.00 57.97 57.74 3iqa h PHE 86 Cb 0.20 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.36 3iqa h PHE 86 CO 0.00 0.01 -0.13 0.87 -2.00 0.00 0.00 178.31 177.06 3iqa h LYS 87 N 0.00 0.00 0.63 6.09 1.57 -1.70 -1.16 116.57 121.99 3iqa h LYS 87 Ca -0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 3iqa h LYS 87 Cb 0.18 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.49 3iqa h LYS 87 CO 0.00 0.13 -0.30 0.00 -0.57 0.00 0.00 179.45 178.71 3iqa h ALA 88 N 1.87 -0.96 0.00 3.86 0.00 -1.72 -2.25 119.26 120.06 3iqa h ALA 88 Ca -0.00 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 3iqa h ALA 88 Cb 0.43 0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 3iqa h ALA 88 CO 0.02 -0.90 -0.02 -1.00 0.00 0.00 0.00 179.25 177.34 3iqa h PRO 89 N -1.07 0.00 -0.03 0.00 0.13 -1.74 -2.61 132.00 126.68 3iqa h PRO 89 Ca -0.09 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.04 3iqa h PRO 89 Cb 0.65 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.78 3iqa h PRO 89 CO 0.14 0.02 0.00 1.25 -0.23 0.00 0.00 178.00 179.19 3iqa h LEU 90 N 0.00 0.06 -1.12 1.56 5.85 -1.20 -0.59 115.31 119.87 3iqa h LEU 90 Ca -0.00 -0.29 -0.00 0.00 0.84 0.00 0.00 57.88 58.43 3iqa h LEU 90 Cb 0.15 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.12 3iqa h LEU 90 CO 0.00 0.33 0.49 0.58 -0.34 0.00 0.00 178.44 179.50 3iqa h VAL 91 N -0.22 1.22 -0.49 1.05 2.07 -1.20 -0.55 116.25 118.13 3iqa h VAL 91 Ca 0.01 -0.49 -0.02 0.00 0.82 0.00 0.00 66.70 67.03 3iqa h VAL 91 Cb 0.30 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.13 3iqa h VAL 91 CO 0.00 0.23 0.23 0.00 0.02 0.00 0.00 177.57 178.05 3iqa h ALA 92 N 1.43 0.63 -0.32 1.67 0.00 -1.40 0.45 119.26 121.72 3iqa h ALA 92 Ca 0.29 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.10 3iqa h ALA 92 Cb -0.05 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 3iqa h ALA 92 CO -0.05 0.20 0.14 0.00 0.00 0.00 0.00 179.25 179.54 3iqa h ALA 93 N 1.07 0.39 -0.16 0.00 0.00 -0.46 0.11 119.26 120.21 3iqa h ALA 93 Ca 0.17 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 3iqa h ALA 93 Cb 0.13 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3iqa h ALA 93 CO -0.02 -0.24 0.06 0.28 0.00 0.00 0.00 179.25 179.33 3iqa h VAL 94 N 0.31 1.17 -0.19 0.00 2.07 -0.94 -1.76 116.25 116.91 3iqa h VAL 94 Ca 0.14 -0.52 0.05 0.00 0.82 0.00 0.00 66.70 67.19 3iqa h VAL 94 Cb 0.07 1.22 -0.06 0.00 -1.52 0.00 0.00 31.29 31.01 3iqa h VAL 94 CO -0.11 0.16 -0.17 -0.07 0.02 0.00 0.00 177.57 177.40 3iqa h LEU 95 N 0.09 -0.55 -1.09 2.57 3.38 -0.79 -2.97 115.31 115.95 3iqa h LEU 95 Ca 0.05 0.11 0.02 0.00 0.09 0.00 0.00 57.88 58.15 3iqa h LEU 95 Cb 0.20 0.27 -0.05 0.00 0.09 0.00 0.00 40.66 41.17 3iqa h LEU 95 CO -0.00 -0.22 0.61 -0.74 0.09 0.00 0.00 178.44 178.19 3iqa h HIS 96 N -0.19 1.15 0.00 1.13 2.76 -0.67 -3.06 115.15 116.27 3iqa h HIS 96 Ca 0.12 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.31 3iqa h HIS 96 Cb 0.36 -0.39 0.00 0.00 1.55 0.00 0.00 27.41 28.94 3iqa h HIS 96 CO -0.31 0.70 0.00 0.37 -1.30 0.00 0.00 177.93 177.38 3iqa h GLN 97 N 1.21 0.00 -5.16 5.26 5.75 -1.16 -3.46 115.11 117.55 3iqa h GLN 97 Ca 0.36 0.00 -0.35 0.00 -0.15 0.00 0.00 58.65 58.50 3iqa h GLN 97 Cb -0.07 0.00 -0.15 0.00 1.07 0.00 0.00 27.48 28.34 3iqa h GLN 97 CO -0.09 0.00 -0.71 -0.80 -2.65 0.00 0.00 178.83 174.57 3iqa s ASN 98 N -5.53 1.94 0.67 -0.69 0.01 -1.16 -5.10 114.94 105.08 3iqa s ASN 98 Ca 0.03 -1.02 -0.17 0.00 -0.71 0.00 0.00 52.86 50.99 3iqa s ASN 98 Cb 0.08 -0.03 0.00 0.00 0.41 0.00 0.00 41.25 41.71 3iqa s ASN 98 CO 0.55 -0.31 1.28 -2.84 -1.51 0.00 0.00 177.10 174.27 3iqa s PRO 99 N -3.73 2.44 0.47 -0.60 0.02 -1.26 -4.91 135.00 127.43 3iqa s PRO 99 Ca 0.18 2.01 0.17 0.00 0.02 0.00 0.00 61.00 63.38 3iqa s PRO 99 Cb 0.02 -1.84 1.15 0.00 0.02 0.00 0.00 34.50 33.85 3iqa s PRO 99 CO 0.02 -1.67 2.01 1.25 -0.33 0.00 0.00 177.00 178.28 3iqa h LEU 100 N 0.35 0.23 0.00 -5.54 6.46 -1.99 -1.58 115.31 113.24 3iqa h LEU 100 Ca -0.50 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.26 3iqa h LEU 100 Cb 1.33 -0.04 0.00 0.00 -0.73 0.00 0.00 40.66 41.22 3iqa h LEU 100 CO 0.52 0.14 0.00 0.35 -0.62 0.00 0.00 178.44 178.83 3iqa n THR 101 N -4.46 0.00 0.29 1.05 -2.24 -1.26 -2.21 114.28 105.45 3iqa n THR 101 Ca 0.08 0.00 0.15 0.00 -2.27 0.00 0.00 64.05 62.01 3iqa n THR 101 Cb 0.38 -0.53 0.85 0.00 -2.10 0.00 0.00 70.33 68.93 3iqa n THR 101 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 3iqa h HIS 102 N 0.00 0.00 -0.01 4.78 -0.00 -1.65 -2.47 115.15 115.80 3iqa h HIS 102 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 3iqa h HIS 102 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.41 3iqa h HIS 102 CO 0.00 0.06 0.12 -0.07 -0.00 0.00 0.00 177.93 178.03 3iqa h LEU 103 N 0.00 0.00 -1.29 0.26 3.38 -1.65 -1.67 115.31 114.35 3iqa h LEU 103 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3iqa h LEU 103 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 3iqa h LEU 103 CO 0.01 0.00 -0.22 0.47 0.09 0.00 0.00 178.44 178.78 3iqa n ASP 104 N -3.10 2.23 -4.71 -0.43 8.00 -0.93 -0.91 116.55 116.70 3iqa n ASP 104 Ca -0.02 -1.63 -0.42 0.00 0.71 0.00 0.00 54.79 53.43 3iqa n ASP 104 Cb 0.18 0.21 -0.03 0.00 -0.02 0.00 0.00 41.12 41.46 3iqa n ASP 104 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3iqa s LYS 105 N -2.25 4.33 0.05 -1.24 2.20 -0.63 -4.86 119.74 117.34 3iqa s LYS 105 Ca 0.25 1.98 -0.28 0.00 -0.36 0.00 0.00 55.97 57.56 3iqa s LYS 105 Cb 0.19 -3.38 -0.05 0.00 -1.51 0.00 0.00 37.83 33.08 3iqa s LYS 105 CO 0.44 -0.45 0.89 -1.17 -0.36 0.00 0.00 175.35 174.70 3iqa s LEU 106 N 1.55 4.43 -0.15 5.43 2.96 -1.26 -1.19 118.68 130.46 3iqa s LEU 106 Ca 0.63 1.61 -0.02 0.00 -0.22 0.00 0.00 54.13 56.14 3iqa s LEU 106 Cb -0.34 -3.45 -0.02 0.00 0.50 0.00 0.00 46.19 42.89 3iqa s LEU 106 CO 0.29 -0.10 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.49 3iqa s ILE 107 N 0.34 3.34 0.10 6.68 -1.09 0.47 -4.94 121.20 126.09 3iqa s ILE 107 Ca 0.45 -0.55 0.04 0.00 -2.23 0.00 0.00 60.65 58.36 3iqa s ILE 107 Cb -0.21 -2.44 -0.04 0.00 -1.58 0.00 0.00 42.46 38.19 3iqa s ILE 107 CO 0.26 0.50 0.06 0.42 -1.23 0.00 0.00 174.94 174.96 3iqa s THR 108 N 0.52 4.36 0.26 2.92 -4.23 -1.26 -1.18 115.64 117.04 3iqa s THR 108 Ca -0.06 -0.89 -0.21 0.00 -1.18 0.00 0.00 61.69 59.35 3iqa s THR 108 Cb -0.15 -3.11 0.03 0.00 1.34 0.00 0.00 72.50 70.60 3iqa s THR 108 CO 0.03 0.09 0.69 -0.72 -0.54 0.00 0.00 174.62 174.17 3iqa s TYR 109 N -1.42 -0.21 0.00 3.99 -0.85 -1.26 -5.04 117.35 112.55 3iqa s TYR 109 Ca 0.28 -0.21 0.00 0.00 -0.52 0.00 0.00 57.07 56.63 3iqa s TYR 109 Cb -0.12 0.66 0.00 0.00 0.38 0.00 0.00 41.96 42.89 3iqa s TYR 109 CO 0.21 -1.17 0.00 0.25 -1.52 0.00 0.00 175.55 173.32 3iqa n THR 110 N -0.44 0.00 -0.07 -3.49 -2.24 -1.26 -4.81 114.28 101.96 3iqa n THR 110 Ca -0.06 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.65 3iqa n THR 110 Cb 0.60 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.82 3iqa n THR 110 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3iqa h SER 111 N 0.00 -0.14 0.20 3.42 0.02 -1.97 -2.15 113.55 112.93 3iqa h SER 111 Ca 0.00 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 3iqa h SER 111 Cb 0.00 0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.66 3iqa h SER 111 CO 0.00 -0.04 0.00 -0.90 -1.14 0.00 0.00 176.83 174.75 3iqa n ASP 112 N -5.18 0.00 0.02 3.07 5.68 -1.26 -2.29 116.55 116.60 3iqa n ASP 112 Ca -0.01 -0.25 0.12 0.00 -0.50 0.00 0.00 54.79 54.16 3iqa n ASP 112 Cb 0.15 -0.17 0.26 0.00 -1.14 0.00 0.00 41.12 40.22 3iqa n ASP 112 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 3iqa n ASP 113 N -1.17 0.53 -4.33 -1.12 8.00 -0.81 -4.71 116.55 112.94 3iqa n ASP 113 Ca 0.11 -0.02 -0.46 0.00 0.71 0.00 0.00 54.79 55.13 3iqa n ASP 113 Cb 0.11 0.13 -0.04 0.00 -0.02 0.00 0.00 41.12 41.30 3iqa n ASP 113 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3iqa s ILE 114 N -3.07 5.17 0.00 0.53 1.01 -0.97 -4.79 121.20 119.08 3iqa s ILE 114 Ca 0.09 -1.53 0.00 0.00 0.00 0.00 0.00 60.65 59.21 3iqa s ILE 114 Cb 0.16 -4.41 0.00 0.00 0.01 0.00 0.00 42.46 38.22 3iqa s ILE 114 CO 0.69 -0.97 0.52 0.54 0.00 0.00 0.00 174.94 175.72 3iqa n ARG 115 N 5.35 0.57 -3.88 2.79 1.74 -1.26 -5.07 116.66 116.89 3iqa n ARG 115 Ca -0.08 -0.66 -0.08 0.00 -0.77 0.00 0.00 57.85 56.27 3iqa n ARG 115 Cb 0.42 -0.76 -0.02 0.00 -1.02 0.00 0.00 32.46 31.08 3iqa n ARG 115 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3iqa s SER 116 N -0.27 -0.14 -0.17 0.55 1.04 -1.26 -4.34 113.70 109.11 3iqa s SER 116 Ca 0.00 -0.80 -0.34 0.00 0.48 0.00 0.00 55.95 55.29 3iqa s SER 116 Cb 0.00 0.73 -0.11 0.00 0.10 0.00 0.00 66.02 66.74 3iqa s SER 116 CO 0.00 -1.39 1.96 -0.38 0.98 0.00 0.00 173.24 174.41 3iqa n ILE 117 N -0.47 0.46 -3.07 -1.02 5.41 -1.26 -4.69 119.36 114.73 3iqa n ILE 117 Ca -0.04 -0.16 -0.19 0.00 1.00 0.00 0.00 62.75 63.36 3iqa n ILE 117 Cb 0.60 -1.84 -0.04 0.00 -0.71 0.00 0.00 39.64 37.65 3iqa n ILE 117 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 3iqa n SER 118 N 7.61 -1.01 0.24 4.38 7.64 -1.26 -0.47 113.62 130.76 3iqa n SER 118 Ca 0.27 -2.83 0.07 0.00 1.01 0.00 0.00 58.87 57.39 3iqa n SER 118 Cb 0.28 0.21 0.58 0.00 -1.01 0.00 0.00 64.21 64.27 3iqa n SER 118 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 3iqa h PRO 119 N 4.30 0.00 0.00 1.43 0.11 -1.91 -2.42 132.00 133.51 3iqa h PRO 119 Ca 0.04 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.99 3iqa h PRO 119 Cb 0.94 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.03 3iqa h PRO 119 CO 0.38 0.08 -1.10 0.28 -0.21 0.00 0.00 178.00 177.43 3iqa n VAL 120 N -4.44 1.49 0.27 3.15 0.31 -1.26 -4.30 118.33 113.56 3iqa n VAL 120 Ca -0.03 0.04 0.16 0.00 -0.01 0.00 0.00 64.34 64.50 3iqa n VAL 120 Cb 0.16 -2.17 0.90 0.00 -0.91 0.00 0.00 33.84 31.82 3iqa n VAL 120 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3iqa h ALA 121 N -0.75 1.58 -0.09 3.52 0.00 -1.96 0.19 119.26 121.75 3iqa h ALA 121 Ca -0.24 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.54 3iqa h ALA 121 Cb 1.03 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 3iqa h ALA 121 CO -0.14 -0.09 -0.53 -0.56 0.00 0.00 0.00 179.25 177.93 3iqa h GLN 122 N 0.00 0.27 0.00 0.00 -0.00 -1.65 -2.86 115.11 110.87 3iqa h GLN 122 Ca 0.03 -0.16 0.00 0.00 -0.00 0.00 0.00 58.65 58.52 3iqa h GLN 122 Cb 0.15 0.02 0.00 0.00 -0.00 0.00 0.00 27.48 27.65 3iqa h GLN 122 CO -0.00 0.73 0.00 1.04 -0.00 0.00 0.00 178.83 180.60 3iqa n GLN 123 N -3.93 0.18 -0.03 0.06 6.02 0.05 -3.93 117.38 115.79 3iqa n GLN 123 Ca -0.02 0.33 0.01 0.00 -0.01 0.00 0.00 57.00 57.31 3iqa n GLN 123 Cb 0.57 -1.80 0.02 0.00 1.02 0.00 0.00 30.24 30.05 3iqa n GLN 123 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 3iqa n HIS 124 N -2.14 0.00 -0.12 1.08 8.25 -1.15 -4.77 115.22 116.37 3iqa n HIS 124 Ca 0.03 -0.44 0.02 0.00 -0.26 0.00 0.00 57.72 57.08 3iqa n HIS 124 Cb 0.28 -0.05 0.32 0.00 1.12 0.00 0.00 29.99 31.66 3iqa n HIS 124 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 3iqa h VAL 125 N 0.99 1.15 -0.34 1.59 3.04 -1.63 0.37 116.25 121.43 3iqa h VAL 125 Ca 0.00 -0.28 -0.09 0.00 -1.01 0.00 0.00 66.70 65.32 3iqa h VAL 125 Cb 0.72 0.27 -0.02 0.00 -2.01 0.00 0.00 31.29 30.25 3iqa h VAL 125 CO 0.00 0.15 -0.18 1.56 -1.01 0.00 0.00 177.57 178.09 3iqa h GLN 126 N 0.82 0.62 0.00 4.17 4.20 -1.87 -3.35 115.11 119.70 3iqa h GLN 126 Ca 0.22 -0.22 -0.19 0.00 0.06 0.00 0.00 58.65 58.52 3iqa h GLN 126 Cb -0.09 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 27.61 3iqa h GLN 126 CO -0.05 0.77 -2.14 0.25 -0.67 0.00 0.00 178.83 176.99 3iqa n THR 127 N -4.15 0.73 0.00 -0.54 -2.24 -0.93 -5.09 114.28 102.06 3iqa n THR 127 Ca 0.00 -0.66 0.00 0.00 -2.27 0.00 0.00 64.05 61.13 3iqa n THR 127 Cb 0.38 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.35 3iqa n THR 127 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3iqa n GLY 128 N 1.62 0.26 2.87 3.38 0.00 0.08 -4.97 105.19 108.42 3iqa n GLY 128 Ca -0.19 -1.86 -0.13 0.00 0.00 0.00 0.00 46.02 43.84 3iqa n GLY 128 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3iqa s MET 129 N -1.84 0.02 0.77 1.61 -1.94 -0.32 -4.85 119.30 112.74 3iqa s MET 129 Ca 0.00 0.07 -0.11 0.00 -1.71 0.00 0.00 55.69 53.94 3iqa s MET 129 Cb 0.00 -0.03 0.05 0.00 2.01 0.00 0.00 34.83 36.86 3iqa s MET 129 CO 0.00 -0.03 1.09 0.95 -0.01 0.00 0.00 175.02 177.02 3iqa s THR 130 N 0.21 3.28 0.28 2.05 -4.23 -1.26 -0.39 115.64 115.59 3iqa s THR 130 Ca -0.02 0.43 0.02 0.00 -1.18 0.00 0.00 61.69 60.95 3iqa s THR 130 Cb -0.03 -2.91 0.28 0.00 1.34 0.00 0.00 72.50 71.19 3iqa s THR 130 CO -0.01 -0.53 1.80 0.40 -0.54 0.00 0.00 174.62 175.75 3iqa h ILE 131 N -1.05 0.81 -0.54 2.99 1.08 -1.15 -0.90 117.51 118.75 3iqa h ILE 131 Ca -0.44 -0.29 -0.01 0.00 -0.39 0.00 0.00 64.86 63.73 3iqa h ILE 131 Cb 1.23 -0.10 -0.03 0.00 -3.07 0.00 0.00 36.82 34.85 3iqa h ILE 131 CO 0.51 0.15 0.31 1.23 -0.69 0.00 0.00 178.15 179.67 3iqa h GLY 132 N 0.84 0.80 1.01 5.37 0.00 -1.30 -0.64 103.07 109.16 3iqa h GLY 132 Ca 0.52 -0.35 -0.01 0.00 0.00 0.00 0.00 47.33 47.49 3iqa h GLY 132 CO -0.32 0.34 0.50 1.46 0.00 0.00 0.00 176.54 178.52 3iqa h GLN 133 N 0.73 1.15 -0.62 4.80 4.20 -1.65 -1.40 115.11 122.32 3iqa h GLN 133 Ca 0.19 -0.11 -0.06 0.00 0.06 0.00 0.00 58.65 58.73 3iqa h GLN 133 Cb 0.02 -0.24 -0.03 0.00 0.30 0.00 0.00 27.48 27.54 3iqa h GLN 133 CO -0.03 0.81 0.14 -0.07 -0.67 0.00 0.00 178.83 179.01 3iqa h LEU 134 N 1.16 0.96 -0.30 1.46 3.38 -0.92 -1.29 115.31 119.75 3iqa h LEU 134 Ca 0.30 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 3iqa h LEU 134 Cb -0.03 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 3iqa h LEU 134 CO -0.06 0.95 0.14 0.00 0.09 0.00 0.00 178.44 179.57 3iqa h ASP 136 N 0.35 0.06 -0.44 0.00 1.82 -1.15 -2.21 116.42 114.84 3iqa h ASP 136 Ca 0.10 0.04 -0.11 0.00 -0.39 0.00 0.00 57.03 56.67 3iqa h ASP 136 Cb 0.12 0.04 -0.01 0.00 0.68 0.00 0.00 39.33 40.16 3iqa h ASP 136 CO -0.01 0.07 -0.14 0.00 -1.61 0.00 0.00 179.24 177.55 3iqa h ALA 137 N 1.19 0.62 -0.67 -0.78 0.00 -1.16 0.72 119.26 119.17 3iqa h ALA 137 Ca 0.13 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3iqa h ALA 137 Cb 0.12 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3iqa h ALA 137 CO -0.15 0.53 0.43 0.00 0.00 0.00 0.00 179.25 180.06 3iqa h ALA 138 N 0.86 0.85 0.02 0.00 0.00 -0.98 -1.70 119.26 118.31 3iqa h ALA 138 Ca 0.11 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3iqa h ALA 138 Cb 0.69 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3iqa h ALA 138 CO 0.05 0.30 -0.01 0.82 0.00 0.00 0.00 179.25 180.41 3iqa h ILE 139 N 0.91 1.16 0.00 0.00 2.04 -1.35 -2.96 117.51 117.31 3iqa h ILE 139 Ca 0.24 -1.80 -0.22 0.00 1.00 0.00 0.00 64.86 64.09 3iqa h ILE 139 Cb -0.07 2.17 -0.03 0.00 -0.74 0.00 0.00 36.82 38.15 3iqa h ILE 139 CO -0.05 0.38 -1.07 0.03 0.00 0.00 0.00 178.15 177.44 3iqa h ARG 140 N -0.97 0.00 -0.01 2.37 3.08 -0.92 -3.30 114.38 114.63 3iqa h ARG 140 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3iqa h ARG 140 Cb 0.65 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.70 3iqa h ARG 140 CO 0.00 0.93 -0.06 0.66 -1.07 0.00 0.00 179.97 180.43 3iqa n TYR 141 N -3.31 0.00 -3.80 3.04 4.02 -0.84 -1.93 117.16 114.34 3iqa n TYR 141 Ca -0.02 0.00 -0.25 0.00 -0.01 0.00 0.00 57.90 57.62 3iqa n TYR 141 Cb 0.95 0.00 0.03 0.00 -0.02 0.00 0.00 39.34 40.29 3iqa n TYR 141 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 3iqa n SER 142 N -0.00 -2.57 -4.69 7.72 2.88 -0.83 -4.82 113.62 111.31 3iqa n SER 142 Ca 0.03 -0.82 -0.42 0.00 -1.33 0.00 0.00 58.87 56.33 3iqa n SER 142 Cb 0.14 -3.92 -0.03 0.00 -0.75 0.00 0.00 64.21 59.64 3iqa n SER 142 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3iqa s ASP 143 N -3.94 6.77 0.04 -3.46 -1.08 -0.70 -4.86 116.67 109.44 3iqa s ASP 143 Ca 0.27 2.24 -0.17 0.00 -0.52 0.00 0.00 52.55 54.37 3iqa s ASP 143 Cb -0.13 -2.56 -0.23 0.00 -1.46 0.00 0.00 42.92 38.53 3iqa s ASP 143 CO 0.82 -0.76 1.14 1.23 0.52 0.00 0.00 175.17 178.13 3iqa h GLY 144 N 8.25 0.62 1.03 2.66 0.00 -1.08 -3.01 103.07 111.54 3iqa h GLY 144 Ca -0.40 -1.08 -0.02 0.00 0.00 0.00 0.00 47.33 45.83 3iqa h GLY 144 CO 0.91 0.95 0.46 -0.84 0.00 0.00 0.00 176.54 178.02 3iqa h THR 145 N 0.14 1.26 -0.62 4.70 2.02 -1.84 -1.44 112.91 117.12 3iqa h THR 145 Ca -0.10 -0.67 0.03 0.00 0.77 0.00 0.00 66.41 66.44 3iqa h THR 145 Cb 1.50 0.10 -0.04 0.00 -1.74 0.00 0.00 68.15 67.96 3iqa h THR 145 CO 0.16 0.30 0.37 0.00 0.37 0.00 0.00 175.52 176.72 3iqa h ALA 146 N 1.25 0.81 -0.31 6.16 0.00 -1.89 0.13 119.26 125.41 3iqa h ALA 146 Ca 0.31 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 3iqa h ALA 146 Cb 0.06 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3iqa h ALA 146 CO -0.05 0.10 0.17 0.00 0.00 0.00 0.00 179.25 179.47 3iqa h ALA 147 N 1.28 0.39 -0.71 0.00 0.00 -1.32 -0.76 119.26 118.15 3iqa h ALA 147 Ca 0.26 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.15 3iqa h ALA 147 Cb 0.05 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 3iqa h ALA 147 CO -0.12 -0.08 0.42 -0.91 0.00 0.00 0.00 179.25 178.56 3iqa h ASN 148 N 0.38 0.66 0.30 0.00 4.21 -0.86 -0.12 115.58 120.14 3iqa h ASN 148 Ca 0.11 0.02 -0.12 0.00 1.21 0.00 0.00 56.30 57.52 3iqa h ASN 148 Cb 0.06 -0.12 -0.01 0.00 -1.12 0.00 0.00 38.32 37.13 3iqa h ASN 148 CO -0.02 0.43 -0.47 -0.07 -1.29 0.00 0.00 177.43 176.02 3iqa h LEU 149 N 0.79 0.23 -0.26 1.61 3.38 -0.74 -2.10 115.31 118.22 3iqa h LEU 149 Ca 0.30 -0.10 -0.21 0.00 0.09 0.00 0.00 57.88 57.96 3iqa h LEU 149 Cb 0.12 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.81 3iqa h LEU 149 CO -0.15 0.67 -0.82 -0.07 0.09 0.00 0.00 178.44 178.15 3iqa h LEU 150 N 0.17 0.63 -0.34 1.67 3.38 -0.81 -1.87 115.31 118.14 3iqa h LEU 150 Ca 0.01 -0.45 0.02 0.00 0.09 0.00 0.00 57.88 57.56 3iqa h LEU 150 Cb 0.90 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 3iqa h LEU 150 CO 0.07 1.22 0.17 -0.07 0.09 0.00 0.00 178.44 179.92 3iqa h LEU 151 N 0.33 0.25 -1.56 1.67 3.38 -0.85 -1.77 115.31 116.76 3iqa h LEU 151 Ca -0.06 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 3iqa h LEU 151 Cb 1.43 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 42.13 3iqa h LEU 151 CO 0.15 0.19 0.24 0.00 0.09 0.00 0.00 178.44 179.11 3iqa h ALA 152 N 1.17 1.68 -0.32 1.53 0.00 -1.31 -1.05 119.26 120.96 3iqa h ALA 152 Ca 0.14 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.86 3iqa h ALA 152 Cb 0.05 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3iqa h ALA 152 CO -0.10 0.29 -0.39 0.22 0.00 0.00 0.00 179.25 179.27 3iqa h ASP 153 N 0.55 0.81 -0.41 0.00 3.58 -0.94 -3.00 116.42 117.01 3iqa h ASP 153 Ca 0.15 -0.36 -0.12 0.00 0.42 0.00 0.00 57.03 57.11 3iqa h ASP 153 Cb -0.03 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 40.78 3iqa h ASP 153 CO -0.03 1.10 -0.19 0.25 -2.88 0.00 0.00 179.24 177.49 3iqa h LEU 154 N 0.62 0.92 0.00 2.28 5.85 -0.89 -3.49 115.31 120.60 3iqa h LEU 154 Ca 0.05 -0.33 0.00 0.00 0.84 0.00 0.00 57.88 58.44 3iqa h LEU 154 Cb 0.94 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.72 3iqa h LEU 154 CO 0.09 1.08 0.00 0.61 -0.34 0.00 0.00 178.44 179.88 3iqa n GLY 155 N -0.21 -2.14 0.52 3.75 0.00 -0.44 -4.99 105.19 101.68 3iqa n GLY 155 Ca 0.00 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.56 3iqa n GLY 155 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iqa n GLY 156 N -0.17 -2.84 3.49 -0.02 0.00 -1.26 -3.72 105.19 100.67 3iqa n GLY 156 Ca 0.00 -1.71 -0.37 0.00 0.00 0.00 0.00 46.02 43.94 3iqa n GLY 156 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3iqa n PRO 157 N -0.61 0.46 -1.81 1.61 -0.02 -1.26 -3.18 135.00 130.19 3iqa n PRO 157 Ca 0.00 0.19 -0.13 0.00 -2.02 0.00 0.00 63.50 61.54 3iqa n PRO 157 Cb 0.00 -1.84 -0.03 0.00 -0.02 0.00 0.00 33.50 31.61 3iqa n PRO 157 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3iqa n GLY 158 N 1.64 0.60 2.40 -1.23 0.00 -1.26 -2.86 105.19 104.48 3iqa n GLY 158 Ca 0.11 -0.39 -0.15 0.00 0.00 0.00 0.00 46.02 45.60 3iqa n GLY 158 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iqa n GLY 159 N -1.21 1.12 0.00 -0.02 0.00 -1.21 -2.51 105.19 101.36 3iqa n GLY 159 Ca -0.14 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.57 3iqa n GLY 159 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iqa n GLY 160 N -1.13 0.60 0.18 -0.02 0.00 -1.14 -3.08 105.19 100.62 3iqa n GLY 160 Ca -0.15 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.81 3iqa n GLY 160 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3iqa h THR 161 N 0.00 1.36 -0.36 2.61 1.35 -1.57 -0.70 112.91 115.61 3iqa h THR 161 Ca 0.00 -1.89 -0.06 0.00 -0.55 0.00 0.00 66.41 63.91 3iqa h THR 161 Cb 0.00 1.91 -0.01 0.00 -1.73 0.00 0.00 68.15 68.32 3iqa h THR 161 CO 0.00 0.57 -0.02 0.00 -0.25 0.00 0.00 175.52 175.81 3iqa h ALA 162 N 1.15 0.48 -0.36 6.62 0.00 -1.78 -2.24 119.26 123.14 3iqa h ALA 162 Ca -0.00 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.57 3iqa h ALA 162 Cb 1.08 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 3iqa h ALA 162 CO 0.09 0.27 -0.10 0.00 0.00 0.00 0.00 179.25 179.52 3iqa h ALA 163 N 0.85 1.16 -0.37 0.00 0.00 -1.76 0.54 119.26 119.67 3iqa h ALA 163 Ca 0.10 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3iqa h ALA 163 Cb 0.50 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3iqa h ALA 163 CO 0.02 0.54 0.24 0.35 0.00 0.00 0.00 179.25 180.40 3iqa h PHE 164 N 0.57 0.48 -0.52 0.00 3.04 -1.08 -1.27 116.94 118.15 3iqa h PHE 164 Ca 0.10 0.01 -0.08 0.00 3.98 0.00 0.00 57.97 61.98 3iqa h PHE 164 Cb 0.51 -0.16 -0.02 0.00 2.56 0.00 0.00 35.95 38.84 3iqa h PHE 164 CO 0.02 0.32 0.00 1.15 -2.02 0.00 0.00 178.31 177.78 3iqa h THR 165 N 0.50 1.26 -0.97 4.41 2.02 -1.10 -2.54 112.91 116.49 3iqa h THR 165 Ca 0.14 -1.09 0.15 0.00 0.77 0.00 0.00 66.41 66.37 3iqa h THR 165 Cb -0.03 0.94 -0.09 0.00 -1.74 0.00 0.00 68.15 67.23 3iqa h THR 165 CO -0.03 0.39 0.61 1.23 0.37 0.00 0.00 175.52 178.09 3iqa h GLY 166 N 0.79 1.51 0.97 2.16 0.00 -0.72 -0.60 103.07 107.19 3iqa h GLY 166 Ca 0.15 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 47.11 3iqa h GLY 166 CO 0.03 0.07 0.22 -1.82 0.00 0.00 0.00 176.54 175.04 3iqa h TYR 167 N 0.82 0.55 -0.57 5.60 5.03 -0.82 -1.92 116.97 125.66 3iqa h TYR 167 Ca 0.50 -0.01 -0.03 0.00 2.58 0.00 0.00 58.73 61.77 3iqa h TYR 167 Cb 0.71 -0.18 -0.03 0.00 1.55 0.00 0.00 36.73 38.78 3iqa h TYR 167 CO -0.00 0.42 0.24 -0.07 -1.32 0.00 0.00 178.16 177.42 3iqa h LEU 168 N 0.52 0.77 -0.85 2.82 3.38 -1.15 -2.25 115.31 118.56 3iqa h LEU 168 Ca 0.14 -0.16 0.14 0.00 0.09 0.00 0.00 57.88 58.09 3iqa h LEU 168 Cb 0.05 -0.20 -0.09 0.00 0.09 0.00 0.00 40.66 40.50 3iqa h LEU 168 CO -0.02 0.72 0.44 0.03 0.09 0.00 0.00 178.44 179.70 3iqa h ARG 169 N 0.78 0.61 0.00 1.13 2.47 -1.00 -0.99 114.38 117.38 3iqa h ARG 169 Ca 0.19 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.87 3iqa h ARG 169 Cb 0.19 -0.14 0.00 0.00 -1.65 0.00 0.00 29.97 28.37 3iqa h ARG 169 CO -0.02 0.40 0.00 0.66 0.56 0.00 0.00 179.97 181.58 3iqa h SER 170 N 0.63 0.00 -0.62 7.04 4.64 -0.74 -0.71 113.55 123.80 3iqa h SER 170 Ca 0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.78 3iqa h SER 170 Cb 0.64 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 3iqa h SER 170 CO -0.36 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 175.78 3iqa n LEU 171 N -2.95 3.89 0.00 5.97 4.77 -0.45 -4.94 117.00 123.30 3iqa n LEU 171 Ca -0.01 -1.96 0.00 0.00 -0.03 0.00 0.00 56.01 54.02 3iqa n LEU 171 Cb 0.19 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.79 3iqa n LEU 171 CO 0.23 0.80 0.00 0.61 -1.33 0.00 0.00 177.39 177.70 3iqa n GLY 172 N 1.29 0.55 3.50 -0.72 0.00 -0.27 -4.90 105.19 104.65 3iqa n GLY 172 Ca 0.22 -0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.80 3iqa n GLY 172 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3iqa s ASP 173 N -2.01 6.30 0.00 1.61 -1.08 -0.77 -4.88 116.67 115.85 3iqa s ASP 173 Ca 0.00 -0.52 0.20 0.00 -0.52 0.00 0.00 52.55 51.71 3iqa s ASP 173 Cb 0.00 -2.38 0.44 0.00 -1.46 0.00 0.00 42.92 39.51 3iqa s ASP 173 CO 0.00 -1.09 1.37 0.35 0.52 0.00 0.00 175.17 176.33 3iqa n THR 174 N 5.99 0.65 -0.12 1.71 -2.24 -1.26 -3.42 114.28 115.59 3iqa n THR 174 Ca -0.01 -0.83 -0.22 0.00 -2.27 0.00 0.00 64.05 60.72 3iqa n THR 174 Cb 0.47 0.83 -0.08 0.00 -2.10 0.00 0.00 70.33 69.45 3iqa n THR 174 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3iqa n VAL 175 N 1.34 1.52 -1.66 2.28 0.31 -1.26 -5.03 118.33 115.83 3iqa n VAL 175 Ca 0.19 -0.19 -0.33 0.00 -0.01 0.00 0.00 64.34 63.99 3iqa n VAL 175 Cb 0.56 -2.05 0.06 0.00 -0.91 0.00 0.00 33.84 31.51 3iqa n VAL 175 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 3iqa s SER 176 N -6.93 4.80 -0.15 4.52 0.01 -1.26 -4.91 113.70 109.78 3iqa s SER 176 Ca -0.35 2.13 -0.13 0.00 1.31 0.00 0.00 55.95 58.91 3iqa s SER 176 Cb 0.11 -2.57 0.04 0.00 0.21 0.00 0.00 66.02 63.81 3iqa s SER 176 CO 0.47 -1.84 0.39 0.00 0.41 0.00 0.00 173.24 172.67 3iqa s ARG 177 N -4.00 0.45 -0.11 12.44 1.70 -0.56 -4.99 118.95 123.89 3iqa s ARG 177 Ca 0.70 0.57 0.02 0.00 -0.47 0.00 0.00 55.73 56.54 3iqa s ARG 177 Cb -0.24 0.20 -0.01 0.00 -0.57 0.00 0.00 34.95 34.33 3iqa s ARG 177 CO 0.42 -0.06 -0.16 -1.17 -1.08 0.00 0.00 175.30 173.24 3iqa s LEU 178 N 0.32 2.54 0.00 -1.89 2.96 -1.26 -2.61 118.68 118.74 3iqa s LEU 178 Ca -0.01 -0.37 0.00 0.00 -0.22 0.00 0.00 54.13 53.53 3iqa s LEU 178 Cb -0.03 -1.54 0.00 0.00 0.50 0.00 0.00 46.19 45.11 3iqa s LEU 178 CO -0.01 0.20 0.00 0.47 -1.32 0.00 0.00 176.35 175.69 3iqa n ASP 179 N 3.30 4.40 -4.23 3.68 9.92 -1.26 -4.50 116.55 127.87 3iqa n ASP 179 Ca -0.18 0.00 -0.13 0.00 -0.53 0.00 0.00 54.79 53.95 3iqa n ASP 179 Cb 0.53 0.55 -0.10 0.00 -0.64 0.00 0.00 41.12 41.46 3iqa n ASP 179 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3iqa s ALA 180 N -1.85 1.28 0.09 2.24 0.00 -1.26 -4.99 121.76 117.27 3iqa s ALA 180 Ca 0.00 -1.68 0.01 0.00 0.00 0.00 0.00 51.96 50.29 3iqa s ALA 180 Cb 0.00 1.05 0.01 0.00 0.00 0.00 0.00 23.12 24.18 3iqa s ALA 180 CO 0.00 -0.49 0.09 -0.85 0.00 0.00 0.00 175.76 174.51 3iqa n GLU 181 N -0.28 1.24 -2.20 0.00 0.28 -1.26 -4.56 120.64 113.86 3iqa n GLU 181 Ca -0.02 -0.56 -0.40 0.00 -0.16 0.00 0.00 57.16 56.02 3iqa n GLU 181 Cb 0.65 0.03 -0.03 0.00 1.43 0.00 0.00 31.44 33.53 3iqa n GLU 181 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 3iqa s GLU 182 N -2.39 4.40 0.00 3.44 0.41 -1.26 -1.24 118.70 122.06 3iqa s GLU 182 Ca 0.07 2.10 0.27 0.00 -0.41 0.00 0.00 54.97 57.00 3iqa s GLU 182 Cb -0.01 -3.08 0.87 0.00 -1.78 0.00 0.00 34.13 30.13 3iqa s GLU 182 CO 0.04 -0.11 1.64 -0.35 -0.49 0.00 0.00 175.26 175.99 3iqa n PRO 183 N 0.85 1.60 0.24 0.39 -0.04 -1.26 -4.89 135.00 131.89 3iqa n PRO 183 Ca -0.00 -1.01 0.08 0.00 -0.04 0.00 0.00 63.50 62.53 3iqa n PRO 183 Cb 0.43 -1.48 0.60 0.00 -0.04 0.00 0.00 33.50 33.00 3iqa n PRO 183 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3iqa h GLU 184 N 2.47 0.00 0.00 0.54 3.07 -1.55 -3.02 114.58 116.09 3iqa h GLU 184 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3iqa h GLU 184 Cb 0.57 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.48 3iqa h GLU 184 CO 0.00 0.14 0.00 1.37 -1.40 0.00 0.00 179.01 179.12 3iqa h LEU 185 N 0.00 0.00 -1.47 1.33 8.10 -1.60 -2.04 115.31 119.64 3iqa h LEU 185 Ca -0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 3iqa h LEU 185 Cb 0.26 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.48 3iqa h LEU 185 CO 0.02 0.00 0.00 0.59 -4.11 0.00 0.00 178.44 174.94 3iqa n ASN 186 N -2.59 2.28 -0.12 0.17 3.02 -1.14 -4.55 115.26 112.33 3iqa n ASN 186 Ca -0.00 -1.76 0.06 0.00 -0.03 0.00 0.00 54.58 52.85 3iqa n ASN 186 Cb 0.15 -0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.28 3iqa n ASN 186 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3iqa n ARG 187 N 0.78 2.52 -1.75 3.52 1.74 -0.76 -3.34 116.66 119.38 3iqa n ARG 187 Ca 0.16 -0.28 -0.41 0.00 -0.77 0.00 0.00 57.85 56.55 3iqa n ARG 187 Cb 0.48 -1.12 0.01 0.00 -1.02 0.00 0.00 32.46 30.81 3iqa n ARG 187 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3iqa n ASP 188 N -0.85 3.27 -4.63 0.55 8.00 -1.26 -4.93 116.55 116.71 3iqa n ASP 188 Ca 0.04 1.16 -0.37 0.00 0.71 0.00 0.00 54.79 56.33 3iqa n ASP 188 Cb 0.22 -1.58 0.07 0.00 -0.02 0.00 0.00 41.12 39.82 3iqa n ASP 188 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 3iqa n PRO 189 N 0.12 0.74 -1.68 -0.24 -0.02 -1.26 -4.92 135.00 127.75 3iqa n PRO 189 Ca 0.04 0.30 -0.44 0.00 -2.02 0.00 0.00 63.50 61.39 3iqa n PRO 189 Cb 0.40 -2.23 -0.02 0.00 -0.02 0.00 0.00 33.50 31.62 3iqa n PRO 189 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3iqa n PRO 190 N -1.50 2.08 0.00 0.52 -0.02 -1.26 -2.25 135.00 132.58 3iqa n PRO 190 Ca 0.14 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.36 3iqa n PRO 190 Cb 0.48 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 3iqa n PRO 190 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3iqa n GLY 191 N 1.63 2.75 3.70 -1.23 0.00 -1.26 -5.04 105.19 105.73 3iqa n GLY 191 Ca 0.09 -0.31 -0.43 0.00 0.00 0.00 0.00 46.02 45.36 3iqa n GLY 191 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3iqa n ASP 192 N 0.72 3.09 0.04 1.61 -0.08 -0.95 -4.92 116.55 116.05 3iqa n ASP 192 Ca 0.00 1.16 0.12 0.00 -1.51 0.00 0.00 54.79 54.56 3iqa n ASP 192 Cb 0.00 -1.49 0.29 0.00 2.34 0.00 0.00 41.12 42.26 3iqa n ASP 192 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 3iqa n GLU 193 N 1.80 0.15 -1.73 -0.67 1.02 -1.26 -4.85 120.64 115.10 3iqa n GLU 193 Ca 0.09 0.06 -0.42 0.00 -0.02 0.00 0.00 57.16 56.87 3iqa n GLU 193 Cb 0.34 -1.61 -0.01 0.00 -0.02 0.00 0.00 31.44 30.14 3iqa n GLU 193 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3iqa n ARG 194 N -1.84 2.35 -3.08 3.49 1.74 -1.26 -3.01 116.66 115.05 3iqa n ARG 194 Ca 0.05 0.83 -0.22 0.00 -0.77 0.00 0.00 57.85 57.73 3iqa n ARG 194 Cb 0.39 -2.48 0.02 0.00 -1.02 0.00 0.00 32.46 29.37 3iqa n ARG 194 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3iqa n ASP 195 N 0.91 -5.32 -4.62 0.55 8.00 -1.17 -4.92 116.55 109.98 3iqa n ASP 195 Ca 0.04 -0.29 -0.26 0.00 0.71 0.00 0.00 54.79 54.99 3iqa n ASP 195 Cb 0.37 -4.33 -0.08 0.00 -0.02 0.00 0.00 41.12 37.05 3iqa n ASP 195 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3iqa s THR 196 N -3.08 3.47 0.04 -3.53 -4.23 -1.07 -1.34 115.64 105.90 3iqa s THR 196 Ca 0.31 -1.59 0.00 0.00 -1.18 0.00 0.00 61.69 59.23 3iqa s THR 196 Cb -0.15 -2.75 -0.00 0.00 1.34 0.00 0.00 72.50 70.94 3iqa s THR 196 CO 0.39 -0.15 0.02 1.07 -0.54 0.00 0.00 174.62 175.40 3iqa n THR 197 N -0.19 0.00 -4.22 3.99 5.66 -0.38 -1.49 114.28 117.65 3iqa n THR 197 Ca -0.10 -0.26 -0.17 0.00 -3.05 0.00 0.00 64.05 60.48 3iqa n THR 197 Cb 0.56 0.10 -0.11 0.00 -1.55 0.00 0.00 70.33 69.33 3iqa n THR 197 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3iqa s THR 198 N -1.76 1.21 0.29 1.09 -4.23 -1.26 -0.93 115.64 110.04 3iqa s THR 198 Ca 0.03 -1.70 0.03 0.00 -1.18 0.00 0.00 61.69 58.86 3iqa s THR 198 Cb 0.00 -1.49 0.28 0.00 1.34 0.00 0.00 72.50 72.63 3iqa s THR 198 CO 0.02 -0.47 1.76 -0.65 -0.54 0.00 0.00 174.62 174.74 3iqa h PRO 199 N 3.51 0.65 0.29 3.99 0.11 -1.73 -1.74 132.00 137.07 3iqa h PRO 199 Ca -0.39 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.67 3iqa h PRO 199 Cb 1.19 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3iqa h PRO 199 CO 0.52 0.43 -0.14 1.25 -0.21 0.00 0.00 178.00 179.84 3iqa h HIS 200 N 0.66 -0.36 -0.44 0.65 2.76 -1.47 -2.19 115.15 114.76 3iqa h HIS 200 Ca 0.53 -0.01 -0.06 0.00 -2.20 0.00 0.00 60.37 58.63 3iqa h HIS 200 Cb 0.83 0.12 -0.02 0.00 1.55 0.00 0.00 27.41 29.89 3iqa h HIS 200 CO -0.05 -0.19 0.03 0.00 -1.30 0.00 0.00 177.93 176.41 3iqa h ALA 201 N 0.27 0.59 -0.11 5.26 0.00 -1.69 -2.53 119.26 121.06 3iqa h ALA 201 Ca -0.04 -0.25 -0.12 0.00 0.00 0.00 0.00 54.91 54.49 3iqa h ALA 201 Cb 0.33 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3iqa h ALA 201 CO 0.07 0.36 -0.48 0.97 0.00 0.00 0.00 179.25 180.17 3iqa h ILE 202 N 0.61 1.34 -0.61 0.00 6.09 -1.38 -2.11 117.51 121.45 3iqa h ILE 202 Ca 0.13 -1.68 -0.09 0.00 -1.37 0.00 0.00 64.86 61.85 3iqa h ILE 202 Cb 0.45 1.78 -0.02 0.00 0.47 0.00 0.00 36.82 39.50 3iqa h ILE 202 CO 0.02 0.50 0.04 0.00 -3.07 0.00 0.00 178.15 175.64 3iqa h ALA 203 N 1.28 0.81 -0.40 0.18 0.00 -1.29 -0.68 119.26 119.17 3iqa h ALA 203 Ca 0.01 -0.29 -0.13 0.00 0.00 0.00 0.00 54.91 54.50 3iqa h ALA 203 Cb 0.93 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 3iqa h ALA 203 CO 0.08 0.62 -0.26 -0.07 0.00 0.00 0.00 179.25 179.62 3iqa h LEU 204 N 0.95 0.87 0.12 0.00 3.38 -1.31 -0.85 115.31 118.47 3iqa h LEU 204 Ca 0.18 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 3iqa h LEU 204 Cb 0.51 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.02 3iqa h LEU 204 CO 0.02 1.08 -0.06 0.58 0.09 0.00 0.00 178.44 180.16 3iqa h VAL 205 N 0.73 0.89 -0.78 1.22 2.07 -1.27 -2.59 116.25 116.52 3iqa h VAL 205 Ca 0.09 -0.02 -0.02 0.00 0.82 0.00 0.00 66.70 67.57 3iqa h VAL 205 Cb 0.80 0.90 -0.04 0.00 -1.52 0.00 0.00 31.29 31.44 3iqa h VAL 205 CO 0.07 0.01 0.40 0.25 0.02 0.00 0.00 177.57 178.31 3iqa h LEU 206 N -0.17 0.99 -0.19 2.57 5.85 -1.04 -1.58 115.31 121.74 3iqa h LEU 206 Ca -0.02 -0.10 0.04 0.00 0.84 0.00 0.00 57.88 58.65 3iqa h LEU 206 Cb 0.13 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 40.87 3iqa h LEU 206 CO 0.03 0.82 -0.08 -0.61 -0.34 0.00 0.00 178.44 178.25 3iqa h GLN 207 N 1.10 -0.05 -0.74 1.25 4.15 -1.10 -0.89 115.11 118.82 3iqa h GLN 207 Ca 0.27 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.66 3iqa h GLN 207 Cb 0.07 0.01 -0.03 0.00 0.21 0.00 0.00 27.48 27.74 3iqa h GLN 207 CO -0.04 -0.04 0.33 1.96 -1.93 0.00 0.00 178.83 179.11 3iqa h GLN 208 N -0.06 1.09 -0.35 1.69 4.20 -1.05 0.10 115.11 120.73 3iqa h GLN 208 Ca 0.10 -0.18 -0.03 0.00 0.06 0.00 0.00 58.65 58.60 3iqa h GLN 208 Cb 0.20 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 3iqa h GLN 208 CO -0.22 0.87 0.09 -0.07 -0.67 0.00 0.00 178.83 178.83 3iqa h LEU 209 N 1.05 0.53 0.03 1.46 3.38 -1.00 -2.72 115.31 118.05 3iqa h LEU 209 Ca 0.25 -0.22 -0.38 0.00 0.09 0.00 0.00 57.88 57.62 3iqa h LEU 209 Cb 0.16 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.72 3iqa h LEU 209 CO -0.03 0.62 -2.17 0.52 0.09 0.00 0.00 178.44 177.47 3iqa n VAL 210 N -4.62 1.58 -0.10 1.22 0.31 -0.36 -4.60 118.33 111.77 3iqa n VAL 210 Ca -0.01 -0.46 -0.13 0.00 -0.01 0.00 0.00 64.34 63.73 3iqa n VAL 210 Cb 0.19 -1.71 -0.15 0.00 -0.91 0.00 0.00 33.84 31.26 3iqa n VAL 210 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3iqa n LEU 211 N -3.74 0.99 0.00 7.52 4.77 0.20 -5.00 117.00 121.74 3iqa n LEU 211 Ca -0.42 -0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.56 3iqa n LEU 211 Cb 0.93 0.03 0.00 0.00 -2.33 0.00 0.00 43.42 42.05 3iqa n LEU 211 CO 0.24 0.63 0.00 0.61 -1.33 0.00 0.00 177.39 177.54 3iqa n GLY 212 N 1.89 0.98 1.43 -0.72 0.00 -0.29 -4.99 105.19 103.48 3iqa n GLY 212 Ca -0.35 -1.91 -0.10 0.00 0.00 0.00 0.00 46.02 43.66 3iqa n GLY 212 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3iqa n ASN 213 N -0.54 2.88 -0.26 1.61 3.02 -1.21 -4.62 115.26 116.14 3iqa n ASN 213 Ca 0.00 -3.77 -0.01 0.00 -0.03 0.00 0.00 54.58 50.77 3iqa n ASN 213 Cb 0.00 -0.68 0.18 0.00 -0.61 0.00 0.00 39.78 38.67 3iqa n ASN 213 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3iqa h ALA 214 N 1.06 1.34 -3.16 5.41 0.00 -1.82 -3.43 119.26 118.65 3iqa h ALA 214 Ca 0.32 -0.09 -0.64 0.00 0.00 0.00 0.00 54.91 54.50 3iqa h ALA 214 Cb 1.87 -0.33 -0.15 0.00 0.00 0.00 0.00 17.79 19.19 3iqa h ALA 214 CO 0.57 0.57 -0.73 -0.51 0.00 0.00 0.00 179.25 179.15 3iqa s LEU 215 N -9.86 2.97 0.66 0.00 1.43 -1.26 -5.05 118.68 107.58 3iqa s LEU 215 Ca -0.12 -0.53 -0.16 0.00 -1.03 0.00 0.00 54.13 52.29 3iqa s LEU 215 Cb 0.17 -1.69 0.00 0.00 0.03 0.00 0.00 46.19 44.70 3iqa s LEU 215 CO 0.80 0.12 1.18 -2.16 0.23 0.00 0.00 176.35 176.52 3iqa s PRO 216 N -2.66 2.61 0.34 1.29 0.04 -1.26 -4.68 135.00 130.67 3iqa s PRO 216 Ca 0.24 1.68 0.12 0.00 0.04 0.00 0.00 61.00 63.07 3iqa s PRO 216 Cb -0.09 -1.90 0.95 0.00 0.04 0.00 0.00 34.50 33.50 3iqa s PRO 216 CO 0.15 -1.45 1.73 -1.35 0.04 0.00 0.00 177.00 176.11 3iqa h PRO 217 N 0.21 0.51 -0.42 0.56 0.11 -1.97 -0.03 132.00 130.97 3iqa h PRO 217 Ca -0.48 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 65.48 3iqa h PRO 217 Cb 1.28 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 3iqa h PRO 217 CO 0.53 0.34 -0.20 0.38 -0.21 0.00 0.00 178.00 178.84 3iqa h ASP 218 N 0.52 0.90 0.22 -2.05 2.03 -2.00 -0.98 116.42 115.07 3iqa h ASP 218 Ca 0.64 -0.40 -0.18 0.00 -0.73 0.00 0.00 57.03 56.36 3iqa h ASP 218 Cb 1.33 -0.25 -0.00 0.00 -0.83 0.00 0.00 39.33 39.58 3iqa h ASP 218 CO -0.45 1.10 -0.72 0.11 -1.03 0.00 0.00 179.24 178.25 3iqa h LYS 219 N 0.70 0.44 -0.89 4.15 1.57 -1.77 -3.03 116.57 117.73 3iqa h LYS 219 Ca 0.09 -0.35 0.03 0.00 -1.87 0.00 0.00 60.65 58.55 3iqa h LYS 219 Cb 0.76 0.07 -0.05 0.00 0.08 0.00 0.00 32.23 33.09 3iqa h LYS 219 CO 0.06 0.99 0.58 -0.09 -0.57 0.00 0.00 179.45 180.42 3iqa h ARG 220 N 0.30 1.10 -0.33 3.15 2.43 -0.94 -2.40 114.38 117.69 3iqa h ARG 220 Ca -0.03 -0.07 -0.10 0.00 -0.81 0.00 0.00 59.98 58.98 3iqa h ARG 220 Cb 1.30 -0.25 -0.02 0.00 -0.42 0.00 0.00 29.97 30.59 3iqa h ARG 220 CO 0.13 0.73 -0.19 0.00 -1.51 0.00 0.00 179.97 179.12 3iqa h ALA 221 N 1.36 1.05 -0.30 2.80 0.00 -1.15 -1.08 119.26 121.94 3iqa h ALA 221 Ca 0.35 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3iqa h ALA 221 Cb -0.02 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3iqa h ALA 221 CO -0.11 0.57 0.09 -0.07 0.00 0.00 0.00 179.25 179.73 3iqa h LEU 222 N 0.54 0.44 -0.47 0.00 3.38 -1.37 -1.17 115.31 116.66 3iqa h LEU 222 Ca 0.09 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 3iqa h LEU 222 Cb 0.64 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 3iqa h LEU 222 CO 0.05 0.54 0.18 0.25 0.09 0.00 0.00 178.44 179.54 3iqa h LEU 223 N 0.33 0.67 -0.19 1.67 5.85 -1.30 -2.46 115.31 119.87 3iqa h LEU 223 Ca 0.10 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 3iqa h LEU 223 Cb 0.26 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 3iqa h LEU 223 CO -0.00 0.67 0.08 0.74 -0.34 0.00 0.00 178.44 179.58 3iqa h THR 224 N 0.63 1.15 -0.50 1.05 2.02 -1.17 -2.59 112.91 113.50 3iqa h THR 224 Ca 0.16 -0.45 -0.00 0.00 0.77 0.00 0.00 66.41 66.89 3iqa h THR 224 Cb 0.22 1.10 -0.02 0.00 -1.74 0.00 0.00 68.15 67.70 3iqa h THR 224 CO -0.01 0.15 0.31 0.44 0.37 0.00 0.00 175.52 176.78 3iqa h ASP 225 N 0.16 0.60 -0.28 4.18 3.32 -1.17 0.19 116.42 123.42 3iqa h ASP 225 Ca 0.06 -0.05 0.03 0.00 0.02 0.00 0.00 57.03 57.10 3iqa h ASP 225 Cb 0.16 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 3iqa h ASP 225 CO -0.01 0.47 0.07 -0.50 -1.72 0.00 0.00 179.24 177.55 3iqa h TRP 226 N 0.68 0.12 -0.42 4.55 6.55 -1.42 -1.29 115.95 124.73 3iqa h TRP 226 Ca 0.18 0.02 -0.05 0.00 0.95 0.00 0.00 58.89 59.99 3iqa h TRP 226 Cb -0.03 -0.02 -0.02 0.00 -0.86 0.00 0.00 29.16 28.24 3iqa h TRP 226 CO -0.03 0.05 0.04 0.52 -1.05 0.00 0.00 178.44 177.97 3iqa h MET 227 N 0.18 0.65 -0.03 0.49 2.86 -1.23 -1.93 114.93 115.92 3iqa h MET 227 Ca 0.13 -0.14 -0.02 0.00 -2.06 0.00 0.00 59.70 57.61 3iqa h MET 227 Cb 0.12 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 31.68 3iqa h MET 227 CO -0.15 0.63 -0.07 0.00 1.06 0.00 0.00 176.91 178.38 3iqa h ALA 228 N 1.43 1.83 -0.53 6.32 0.00 -0.52 -2.59 119.26 125.20 3iqa h ALA 228 Ca 0.13 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3iqa h ALA 228 Cb 0.32 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3iqa h ALA 228 CO 0.01 0.13 0.00 0.54 0.00 0.00 0.00 179.25 179.93 3iqa n ARG 229 N -4.43 4.22 -1.70 0.00 1.74 -0.52 -4.90 116.66 111.07 3iqa n ARG 229 Ca -0.02 -3.02 -0.43 0.00 -0.77 0.00 0.00 57.85 53.61 3iqa n ARG 229 Cb 0.17 -2.08 -0.02 0.00 -1.02 0.00 0.00 32.46 29.51 3iqa n ARG 229 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3iqa n ASN 230 N 0.52 3.09 -0.11 0.55 5.15 -1.00 -4.87 115.26 118.59 3iqa n ASN 230 Ca 0.26 1.15 0.09 0.00 -0.60 0.00 0.00 54.58 55.48 3iqa n ASN 230 Cb 1.05 -1.49 -0.08 0.00 -0.53 0.00 0.00 39.78 38.74 3iqa n ASN 230 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 3iqa n THR 231 N 1.74 0.00 0.98 -0.44 -2.24 -0.81 -4.58 114.28 108.92 3iqa n THR 231 Ca 0.10 -0.12 0.11 0.00 -2.27 0.00 0.00 64.05 61.87 3iqa n THR 231 Cb 0.34 1.06 0.03 0.00 -2.10 0.00 0.00 70.33 69.66 3iqa n THR 231 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3iqa n THR 232 N -1.09 0.00 -0.19 4.28 -2.24 -1.25 -4.60 114.28 109.18 3iqa n THR 232 Ca 0.05 -0.35 0.07 0.00 -2.27 0.00 0.00 64.05 61.55 3iqa n THR 232 Cb 0.32 1.34 0.19 0.00 -2.10 0.00 0.00 70.33 70.08 3iqa n THR 232 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3iqa n GLY 233 N 1.37 2.60 0.27 3.38 0.00 -1.26 -4.68 105.19 106.87 3iqa n GLY 233 Ca 0.11 -0.47 0.10 0.00 0.00 0.00 0.00 46.02 45.76 3iqa n GLY 233 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iqa h ALA 234 N 2.58 1.84 -0.51 4.61 0.00 -1.91 -2.73 119.26 123.14 3iqa h ALA 234 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3iqa h ALA 234 Cb 0.79 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.58 3iqa h ALA 234 CO 0.00 -0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.88 3iqa n LYS 235 N -4.30 3.34 0.00 0.00 5.02 -1.26 -3.41 118.16 117.55 3iqa n LYS 235 Ca -0.03 -2.67 0.00 0.00 -2.02 0.00 0.00 58.31 53.59 3iqa n LYS 235 Cb 0.09 -1.72 0.00 0.00 -0.02 0.00 0.00 35.03 33.38 3iqa n LYS 235 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3iqa n ARG 236 N 0.69 0.00 -0.35 1.97 1.74 -1.03 -4.23 116.66 115.45 3iqa n ARG 236 Ca 0.21 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.28 3iqa n ARG 236 Cb 0.77 0.00 0.12 0.00 -1.02 0.00 0.00 32.46 32.32 3iqa n ARG 236 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 3iqa h ILE 237 N 0.00 1.20 -0.95 0.55 2.04 -1.80 -2.33 117.51 116.23 3iqa h ILE 237 Ca 0.00 -0.43 0.23 0.00 1.00 0.00 0.00 64.86 65.66 3iqa h ILE 237 Cb 0.00 -0.15 -0.12 0.00 -0.74 0.00 0.00 36.82 35.80 3iqa h ILE 237 CO 0.00 0.23 0.50 -0.09 0.00 0.00 0.00 178.15 178.79 3iqa h ARG 238 N 1.25 0.50 0.00 2.37 9.65 -1.83 -1.37 114.38 124.94 3iqa h ARG 238 Ca 0.37 -0.03 -0.00 0.00 -1.10 0.00 0.00 59.98 59.22 3iqa h ARG 238 Cb -0.07 -0.11 -0.00 0.00 -1.39 0.00 0.00 29.97 28.40 3iqa h ARG 238 CO -0.10 0.33 -0.00 0.00 2.80 0.00 0.00 179.97 182.99 3iqa h ALA 239 N 1.71 1.00 0.00 2.80 0.00 -1.43 -3.10 119.26 120.23 3iqa h ALA 239 Ca 0.59 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.50 3iqa h ALA 239 Cb 1.11 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3iqa h ALA 239 CO -0.49 0.01 -0.75 0.78 0.00 0.00 0.00 179.25 178.80 3iqa h GLY 240 N 1.93 0.00 -5.07 0.00 0.00 -1.27 -3.47 103.07 95.18 3iqa h GLY 240 Ca -0.00 0.00 -0.67 0.00 0.00 0.00 0.00 47.33 46.66 3iqa h GLY 240 CO 0.00 0.00 -0.61 -1.36 0.00 0.00 0.00 176.54 174.57 3iqa s PHE 241 N -3.21 3.17 0.73 5.60 0.40 -1.17 -3.92 117.98 119.57 3iqa s PHE 241 Ca 0.04 0.16 -0.16 0.00 -0.60 0.00 0.00 56.93 56.38 3iqa s PHE 241 Cb 0.13 -1.73 0.04 0.00 0.51 0.00 0.00 43.02 41.96 3iqa s PHE 241 CO 0.74 0.50 1.24 -2.14 0.70 0.00 0.00 175.22 176.26 3iqa s PRO 242 N -1.38 2.10 0.53 0.24 0.02 -1.26 -4.90 135.00 130.35 3iqa s PRO 242 Ca 0.18 1.88 0.19 0.00 0.02 0.00 0.00 61.00 63.28 3iqa s PRO 242 Cb -0.12 -1.81 1.33 0.00 0.02 0.00 0.00 34.50 33.92 3iqa s PRO 242 CO 0.08 -1.89 2.12 0.00 -0.33 0.00 0.00 177.00 176.98 3iqa h ALA 243 N -0.20 2.08 0.00 -1.55 0.00 -1.99 -1.84 119.26 115.77 3iqa h ALA 243 Ca -0.48 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3iqa h ALA 243 Cb 1.31 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.11 3iqa h ALA 243 CO 0.50 -0.15 0.00 -0.40 0.00 0.00 0.00 179.25 179.19 3iqa n ASP 244 N -4.45 0.00 -4.74 0.00 5.75 -1.26 -4.67 116.55 107.18 3iqa n ASP 244 Ca -0.00 -0.36 -0.39 0.00 -0.01 0.00 0.00 54.79 54.04 3iqa n ASP 244 Cb 0.21 -0.20 -0.06 0.00 -1.03 0.00 0.00 41.12 40.04 3iqa n ASP 244 CO 0.00 0.00 0.00 0.26 -0.11 0.00 0.00 177.20 177.35 3iqa s TRP 245 N -2.41 3.59 0.20 2.11 0.52 -0.69 -3.78 118.94 118.48 3iqa s TRP 245 Ca 0.32 1.07 -0.30 0.00 0.02 0.00 0.00 56.10 57.21 3iqa s TRP 245 Cb 0.20 -2.61 -0.08 0.00 -1.15 0.00 0.00 33.47 29.82 3iqa s TRP 245 CO 0.41 0.23 0.96 0.21 0.02 0.00 0.00 176.95 178.78 3iqa s LYS 246 N 0.34 4.79 -0.08 4.98 2.20 -0.31 -4.89 119.74 126.77 3iqa s LYS 246 Ca 0.30 1.51 0.01 0.00 -0.36 0.00 0.00 55.97 57.43 3iqa s LYS 246 Cb -0.17 -3.30 0.02 0.00 -1.51 0.00 0.00 37.83 32.87 3iqa s LYS 246 CO 0.14 0.39 -0.09 0.08 -0.36 0.00 0.00 175.35 175.52 3iqa s VAL 247 N -0.81 0.97 0.01 4.02 1.01 -1.26 -1.08 120.40 123.26 3iqa s VAL 247 Ca 0.43 -0.32 0.07 0.00 0.00 0.00 0.00 61.98 62.17 3iqa s VAL 247 Cb -0.26 -0.95 -0.03 0.00 0.00 0.00 0.00 36.38 35.14 3iqa s VAL 247 CO 0.32 0.34 -0.22 0.27 0.00 0.00 0.00 175.10 175.81 3iqa s ILE 248 N 1.22 2.43 0.19 2.22 -4.36 -0.68 -4.77 121.20 117.45 3iqa s ILE 248 Ca -0.05 -1.16 -0.21 0.00 -0.26 0.00 0.00 60.65 58.98 3iqa s ILE 248 Cb -0.14 -1.94 0.05 0.00 1.25 0.00 0.00 42.46 41.68 3iqa s ILE 248 CO -0.02 0.45 0.59 1.51 0.24 0.00 0.00 174.94 177.71 3iqa s ASP 249 N -1.03 -0.41 -0.06 4.36 -4.77 -1.00 -1.74 116.67 112.01 3iqa s ASP 249 Ca 0.12 -0.27 0.01 0.00 -3.30 0.00 0.00 52.55 49.11 3iqa s ASP 249 Cb -0.10 0.61 0.02 0.00 -1.09 0.00 0.00 42.92 42.36 3iqa s ASP 249 CO 0.02 -1.06 -0.06 -0.75 0.70 0.00 0.00 175.17 174.02 3iqa s LYS 250 N -3.82 1.07 0.44 2.11 2.47 -0.34 -4.69 119.74 116.98 3iqa s LYS 250 Ca 0.05 -0.15 0.01 0.00 -1.56 0.00 0.00 55.97 54.33 3iqa s LYS 250 Cb -0.02 -1.10 -0.00 0.00 -1.46 0.00 0.00 37.83 35.25 3iqa s LYS 250 CO -0.06 -0.13 0.65 0.95 0.16 0.00 0.00 175.35 176.91 3iqa s THR 251 N 1.20 3.96 -0.07 3.43 -4.23 -1.26 -1.57 115.64 117.10 3iqa s THR 251 Ca -0.06 -0.58 -0.08 0.00 -1.18 0.00 0.00 61.69 59.79 3iqa s THR 251 Cb -0.14 -3.45 0.02 0.00 1.34 0.00 0.00 72.50 70.27 3iqa s THR 251 CO -0.02 -0.29 0.23 -0.83 -0.54 0.00 0.00 174.62 173.17 3iqa s GLY 252 N -4.22 -0.15 -0.02 3.99 0.00 -0.55 -3.31 107.32 103.06 3iqa s GLY 252 Ca 0.48 0.56 -0.02 0.00 0.00 0.00 0.00 44.72 45.74 3iqa s GLY 252 CO 0.37 0.46 0.05 -1.59 0.00 0.00 0.00 173.10 172.39 3iqa s THR 253 N -0.10 0.02 0.07 0.90 2.01 -1.26 0.62 115.64 117.91 3iqa s THR 253 Ca -0.02 -0.15 -0.02 0.00 0.31 0.00 0.00 61.69 61.81 3iqa s THR 253 Cb -0.02 -0.13 0.01 0.00 0.01 0.00 0.00 72.50 72.36 3iqa s THR 253 CO 0.01 -0.08 0.14 0.61 -0.69 0.00 0.00 174.62 174.60 3iqa n GLY 254 N 2.78 2.04 3.71 4.40 0.00 -0.57 -4.64 105.19 112.90 3iqa n GLY 254 Ca -0.14 -1.13 -0.29 0.00 0.00 0.00 0.00 46.02 44.46 3iqa n GLY 254 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3iqa s ASP 255 N -1.40 2.78 -1.62 1.61 1.01 -1.21 -2.86 116.67 114.98 3iqa s ASP 255 Ca 0.04 1.07 -0.03 0.00 0.71 0.00 0.00 52.55 54.33 3iqa s ASP 255 Cb -0.01 -1.68 0.01 0.00 1.01 0.00 0.00 42.92 42.25 3iqa s ASP 255 CO 0.03 -3.02 0.35 -1.22 0.21 0.00 0.00 175.17 171.52 3iqa n TYR 256 N -4.08 -1.58 -1.90 4.23 4.02 -0.50 -2.88 117.16 114.47 3iqa n TYR 256 Ca 0.06 0.30 -0.12 0.00 -0.01 0.00 0.00 57.90 58.13 3iqa n TYR 256 Cb 0.58 -4.18 -0.02 0.00 -0.02 0.00 0.00 39.34 35.70 3iqa n TYR 256 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3iqa n GLY 257 N -1.29 0.41 3.71 2.72 0.00 -0.84 0.10 105.19 109.99 3iqa n GLY 257 Ca -0.16 -0.42 -0.42 0.00 0.00 0.00 0.00 46.02 45.01 3iqa n GLY 257 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3iqa s ARG 258 N -4.00 4.43 -0.19 1.61 0.52 -1.14 -3.67 118.95 116.51 3iqa s ARG 258 Ca 0.00 1.68 -0.05 0.00 -0.52 0.00 0.00 55.73 56.84 3iqa s ARG 258 Cb 0.00 -3.42 0.09 0.00 0.52 0.00 0.00 34.95 32.14 3iqa s ARG 258 CO 0.00 -0.27 0.34 0.00 0.02 0.00 0.00 175.30 175.39 3iqa s ALA 259 N 1.36 -0.87 0.22 2.13 0.00 -0.78 -1.52 121.76 122.30 3iqa s ALA 259 Ca 0.57 1.06 0.09 0.00 0.00 0.00 0.00 51.96 53.68 3iqa s ALA 259 Cb -0.27 -1.32 -0.05 0.00 0.00 0.00 0.00 23.12 21.49 3iqa s ALA 259 CO 0.27 -0.89 -0.17 -0.80 0.00 0.00 0.00 175.76 174.16 3iqa s ASN 260 N 2.51 2.97 -0.21 0.00 0.01 0.20 -1.93 114.94 118.50 3iqa s ASN 260 Ca 0.04 -0.99 -0.10 0.00 -0.71 0.00 0.00 52.86 51.10 3iqa s ASN 260 Cb -0.13 -0.20 0.07 0.00 0.41 0.00 0.00 41.25 41.40 3iqa s ASN 260 CO -0.12 -0.06 0.48 -0.62 -1.51 0.00 0.00 177.10 175.27 3iqa s ASP 261 N -3.24 -0.58 -0.11 -1.22 2.15 0.29 -1.49 116.67 112.48 3iqa s ASP 261 Ca 0.24 1.08 0.02 0.00 0.43 0.00 0.00 52.55 54.31 3iqa s ASP 261 Cb -0.03 1.12 -0.01 0.00 -0.30 0.00 0.00 42.92 43.69 3iqa s ASP 261 CO 0.10 -0.21 -0.17 0.27 -0.17 0.00 0.00 175.17 174.99 3iqa s ILE 262 N 1.81 2.74 0.06 4.11 -4.36 -0.61 -0.90 121.20 124.06 3iqa s ILE 262 Ca -0.08 -0.78 -0.00 0.00 -0.26 0.00 0.00 60.65 59.53 3iqa s ILE 262 Cb -0.09 -2.11 -0.04 0.00 1.25 0.00 0.00 42.46 41.47 3iqa s ILE 262 CO -0.15 0.54 -0.04 0.00 0.24 0.00 0.00 174.94 175.54 3iqa s ALA 263 N 0.20 0.59 -0.11 2.27 0.00 0.38 -1.20 121.76 123.90 3iqa s ALA 263 Ca -0.10 -1.15 0.01 0.00 0.00 0.00 0.00 51.96 50.71 3iqa s ALA 263 Cb -0.16 0.22 -0.02 0.00 0.00 0.00 0.00 23.12 23.16 3iqa s ALA 263 CO 0.06 -0.29 -0.13 0.08 0.00 0.00 0.00 175.76 175.48 3iqa s VAL 264 N -3.43 3.10 0.11 0.00 1.01 -0.71 -1.03 120.40 119.44 3iqa s VAL 264 Ca 0.05 -0.66 0.10 0.00 0.00 0.00 0.00 61.98 61.46 3iqa s VAL 264 Cb 0.04 -2.28 -0.04 0.00 0.00 0.00 0.00 36.38 34.11 3iqa s VAL 264 CO -0.07 0.54 -0.25 0.68 0.00 0.00 0.00 175.10 176.00 3iqa s VAL 265 N 0.06 2.07 -0.11 2.92 -7.23 0.48 -1.68 120.40 116.91 3iqa s VAL 265 Ca -0.05 -1.62 0.02 0.00 -1.81 0.00 0.00 61.98 58.52 3iqa s VAL 265 Cb -0.14 -1.83 0.01 0.00 0.56 0.00 0.00 36.38 34.97 3iqa s VAL 265 CO 0.04 0.10 -0.18 0.26 -0.31 0.00 0.00 175.10 175.00 3iqa s TRP 266 N -1.03 2.23 0.99 2.82 0.51 -0.24 -0.39 118.94 123.83 3iqa s TRP 266 Ca 0.11 -1.03 -0.11 0.00 -2.12 0.00 0.00 56.10 52.95 3iqa s TRP 266 Cb -0.10 -1.56 0.19 0.00 -0.81 0.00 0.00 33.47 31.19 3iqa s TRP 266 CO 0.05 -0.49 1.10 -1.54 -0.51 0.00 0.00 176.95 175.56 3iqa s SER 267 N 0.79 2.39 0.66 2.95 1.04 -0.41 -1.16 113.70 119.96 3iqa s SER 267 Ca -0.10 1.92 0.27 0.00 0.48 0.00 0.00 55.95 58.53 3iqa s SER 267 Cb -0.16 -2.46 1.48 0.00 0.10 0.00 0.00 66.02 64.98 3iqa s SER 267 CO 0.01 -3.39 1.84 -0.65 0.98 0.00 0.00 173.24 172.03 3iqa h PRO 268 N -2.07 0.00 -0.55 4.02 0.11 -1.92 -1.12 132.00 130.47 3iqa h PRO 268 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3iqa h PRO 268 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3iqa h PRO 268 CO 0.45 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.49 3iqa n THR 269 N -2.93 1.25 -1.64 -1.15 -2.24 -1.26 -4.97 114.28 101.34 3iqa n THR 269 Ca -0.01 -1.10 0.00 0.00 -2.27 0.00 0.00 64.05 60.67 3iqa n THR 269 Cb 0.46 0.38 0.00 0.00 -2.10 0.00 0.00 70.33 69.07 3iqa n THR 269 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3iqa n GLY 270 N 1.00 0.46 3.56 3.38 0.00 -0.42 -5.03 105.19 108.14 3iqa n GLY 270 Ca 0.20 -0.88 -0.41 0.00 0.00 0.00 0.00 46.02 44.93 3iqa n GLY 270 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iqa s VAL 271 N -2.00 5.12 0.33 1.61 1.01 -1.26 -4.88 120.40 120.33 3iqa s VAL 271 Ca 0.00 0.25 -0.13 0.00 0.00 0.00 0.00 61.98 62.10 3iqa s VAL 271 Cb 0.00 -3.84 -0.08 0.00 0.00 0.00 0.00 36.38 32.46 3iqa s VAL 271 CO 0.00 -0.08 0.71 -2.16 0.00 0.00 0.00 175.10 173.58 3iqa s PRO 272 N 2.15 3.91 -0.02 2.72 0.04 -1.26 -1.28 135.00 141.25 3iqa s PRO 272 Ca 0.15 0.55 -0.04 0.00 0.04 0.00 0.00 61.00 61.69 3iqa s PRO 272 Cb -0.16 -2.46 0.00 0.00 0.04 0.00 0.00 34.50 31.93 3iqa s PRO 272 CO 0.12 0.13 0.10 0.71 0.04 0.00 0.00 177.00 178.10 3iqa s TYR 273 N -2.06 -0.03 -0.17 0.56 2.02 0.48 -4.98 117.35 113.17 3iqa s TYR 273 Ca 0.52 0.09 -0.08 0.00 -0.37 0.00 0.00 57.07 57.23 3iqa s TYR 273 Cb -0.10 -0.01 -0.04 0.00 -0.40 0.00 0.00 41.96 41.40 3iqa s TYR 273 CO 0.22 -0.14 0.11 0.08 -1.57 0.00 0.00 175.55 174.25 3iqa s VAL 274 N -0.51 5.24 -0.14 0.71 1.01 -1.26 -0.39 120.40 125.06 3iqa s VAL 274 Ca -0.06 0.12 -0.00 0.00 0.00 0.00 0.00 61.98 62.04 3iqa s VAL 274 Cb -0.04 -3.34 0.03 0.00 0.00 0.00 0.00 36.38 33.03 3iqa s VAL 274 CO 0.00 0.50 -0.09 -0.69 0.00 0.00 0.00 175.10 174.83 3iqa s VAL 275 N -0.10 1.25 -0.17 2.92 1.01 -0.20 -3.89 120.40 121.23 3iqa s VAL 275 Ca 0.09 -0.51 -0.00 0.00 0.00 0.00 0.00 61.98 61.56 3iqa s VAL 275 Cb -0.12 -1.27 0.00 0.00 0.00 0.00 0.00 36.38 34.99 3iqa s VAL 275 CO 0.00 0.33 -0.14 0.00 0.00 0.00 0.00 175.10 175.29 3iqa s ALA 276 N 1.61 2.53 -0.10 5.51 0.00 -0.35 -0.47 121.76 130.49 3iqa s ALA 276 Ca 0.04 -1.09 0.01 0.00 0.00 0.00 0.00 51.96 50.92 3iqa s ALA 276 Cb -0.13 -1.30 0.02 0.00 0.00 0.00 0.00 23.12 21.71 3iqa s ALA 276 CO -0.09 -0.14 -0.10 0.08 0.00 0.00 0.00 175.76 175.51 3iqa s VAL 277 N 0.98 1.15 0.02 0.00 1.01 -0.08 -1.17 120.40 122.32 3iqa s VAL 277 Ca -0.02 -0.41 0.04 0.00 0.00 0.00 0.00 61.98 61.59 3iqa s VAL 277 Cb -0.15 -1.11 -0.02 0.00 0.00 0.00 0.00 36.38 35.11 3iqa s VAL 277 CO -0.02 0.38 -0.12 -0.04 0.00 0.00 0.00 175.10 175.29 3iqa s MET 278 N 1.28 0.88 0.04 2.72 -1.94 -0.08 -0.55 119.30 121.66 3iqa s MET 278 Ca -0.02 -0.62 -0.17 0.00 -1.71 0.00 0.00 55.69 53.17 3iqa s MET 278 Cb -0.14 -0.86 0.03 0.00 2.01 0.00 0.00 34.83 35.87 3iqa s MET 278 CO -0.04 0.22 0.38 -1.54 -0.01 0.00 0.00 175.02 174.03 3iqa s SER 279 N -0.83 -0.24 0.15 3.03 1.04 -0.81 -0.23 113.70 115.81 3iqa s SER 279 Ca 0.02 -0.04 -0.06 0.00 0.48 0.00 0.00 55.95 56.35 3iqa s SER 279 Cb -0.07 0.40 -0.02 0.00 0.10 0.00 0.00 66.02 66.43 3iqa s SER 279 CO 0.01 -0.63 0.19 1.51 0.98 0.00 0.00 173.24 175.29 3iqa s ASP 280 N -1.96 0.15 -0.47 7.02 3.84 -0.93 -1.87 116.67 122.46 3iqa s ASP 280 Ca -0.06 -1.01 0.09 0.00 -0.00 0.00 0.00 52.55 51.57 3iqa s ASP 280 Cb -0.01 0.38 0.33 0.00 -1.38 0.00 0.00 42.92 42.24 3iqa s ASP 280 CO -0.02 -0.83 0.80 0.54 -0.00 0.00 0.00 175.17 175.66 3iqa n ARG 281 N -0.17 1.91 0.17 2.11 1.74 0.12 -0.92 116.66 121.61 3iqa n ARG 281 Ca -0.07 -4.01 0.18 0.00 -0.77 0.00 0.00 57.85 53.19 3iqa n ARG 281 Cb 0.63 -1.91 0.80 0.00 -1.02 0.00 0.00 32.46 30.96 3iqa n ARG 281 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3iqa h ALA 282 N 3.12 1.91 0.00 7.54 0.00 -1.83 -0.82 119.26 129.18 3iqa h ALA 282 Ca 0.11 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 3iqa h ALA 282 Cb 0.77 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 3iqa h ALA 282 CO 0.64 -0.44 -0.00 0.78 0.00 0.00 0.00 179.25 180.22 3iqa h GLY 283 N 0.00 0.00 -0.06 0.00 0.00 -1.91 -2.50 103.07 98.60 3iqa h GLY 283 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.46 3iqa h GLY 283 CO -0.00 0.00 -0.21 0.61 0.00 0.00 0.00 176.54 176.94 3iqa n GLY 284 N -0.74 -0.39 4.28 4.60 0.00 -0.31 -5.08 105.19 107.54 3iqa n GLY 284 Ca -0.02 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.56 3iqa n GLY 284 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iqa n GLY 285 N 1.31 -2.19 0.37 -0.02 0.00 -0.94 -3.66 105.19 100.06 3iqa n GLY 285 Ca 0.14 -1.57 0.13 0.00 0.00 0.00 0.00 46.02 44.71 3iqa n GLY 285 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3iqa h TYR 286 N 0.00 0.72 -0.30 1.61 3.20 -1.93 -2.17 116.97 118.10 3iqa h TYR 286 Ca 0.00 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.89 3iqa h TYR 286 Cb 0.00 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.04 3iqa h TYR 286 CO 0.00 0.28 0.00 -0.40 -1.64 0.00 0.00 178.16 176.40 3iqa n ASP 287 N -4.53 2.35 -4.61 -2.11 5.75 -1.26 -1.41 116.55 110.73 3iqa n ASP 287 Ca 0.16 -1.86 -0.52 0.00 -0.01 0.00 0.00 54.79 52.57 3iqa n ASP 287 Cb 0.47 -0.19 -0.06 0.00 -1.03 0.00 0.00 41.12 40.31 3iqa n ASP 287 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3iqa n ALA 288 N 0.77 -0.62 -2.16 2.12 0.00 -0.82 -4.88 120.51 114.92 3iqa n ALA 288 Ca 0.17 0.50 -0.42 0.00 0.00 0.00 0.00 53.44 53.69 3iqa n ALA 288 Cb 0.42 -2.12 -0.03 0.00 0.00 0.00 0.00 19.45 17.72 3iqa n ALA 288 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3iqa s GLU 289 N 0.75 4.31 0.53 0.00 0.41 -1.26 -1.99 118.70 121.45 3iqa s GLU 289 Ca 0.85 2.08 -0.21 0.00 -0.41 0.00 0.00 54.97 57.28 3iqa s GLU 289 Cb -0.92 -3.28 -0.05 0.00 -1.78 0.00 0.00 34.13 28.10 3iqa s GLU 289 CO 0.47 -0.46 1.22 -2.14 -0.49 0.00 0.00 175.26 173.86 3iqa s PRO 290 N 1.23 3.34 -0.40 0.39 0.02 -1.26 -4.60 135.00 133.72 3iqa s PRO 290 Ca 0.65 1.88 0.02 0.00 0.02 0.00 0.00 61.00 63.58 3iqa s PRO 290 Cb -0.37 -2.19 0.12 0.00 0.02 0.00 0.00 34.50 32.08 3iqa s PRO 290 CO 0.30 -0.93 0.15 1.03 -0.33 0.00 0.00 177.00 177.22 3iqa s ARG 291 N -2.99 1.35 0.37 5.54 1.81 -1.26 -4.97 118.95 118.80 3iqa s ARG 291 Ca 0.71 -1.88 0.09 0.00 -1.72 0.00 0.00 55.73 52.93 3iqa s ARG 291 Cb -0.31 -2.72 0.83 0.00 -0.45 0.00 0.00 34.95 32.29 3iqa s ARG 291 CO 0.36 -1.04 1.93 0.93 -0.68 0.00 0.00 175.30 176.80 3iqa h GLU 292 N 7.27 0.64 -0.06 3.54 5.08 -1.95 -2.47 114.58 126.63 3iqa h GLU 292 Ca -0.06 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 3iqa h GLU 292 Cb 0.97 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 30.07 3iqa h GLU 292 CO 0.53 0.43 0.04 0.00 -1.00 0.00 0.00 179.01 179.01 3iqa h ALA 293 N 1.62 1.98 -0.61 3.43 0.00 -1.94 -1.26 119.26 122.47 3iqa h ALA 293 Ca 0.35 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.26 3iqa h ALA 293 Cb 0.49 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 3iqa h ALA 293 CO -0.13 0.02 0.37 1.25 0.00 0.00 0.00 179.25 180.75 3iqa h LEU 294 N 0.07 0.74 -0.54 0.00 5.85 -1.81 -0.46 115.31 119.15 3iqa h LEU 294 Ca 0.02 -0.06 -0.15 0.00 0.84 0.00 0.00 57.88 58.54 3iqa h LEU 294 Cb 0.02 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 3iqa h LEU 294 CO -0.00 0.58 -0.43 -0.07 -0.34 0.00 0.00 178.44 178.17 3iqa h LEU 295 N 0.83 0.74 -0.39 2.25 3.38 -1.38 -0.30 115.31 120.44 3iqa h LEU 295 Ca 0.22 -0.35 -0.06 0.00 0.09 0.00 0.00 57.88 57.78 3iqa h LEU 295 Cb -0.02 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 3iqa h LEU 295 CO -0.04 1.07 0.03 0.00 0.09 0.00 0.00 178.44 179.59 3iqa h ALA 296 N 0.96 0.53 -0.29 1.53 0.00 -1.23 0.25 119.26 120.99 3iqa h ALA 296 Ca 0.04 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 3iqa h ALA 296 Cb 0.98 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 3iqa h ALA 296 CO 0.09 0.28 0.09 0.93 0.00 0.00 0.00 179.25 180.64 3iqa h GLU 297 N 0.51 0.46 -0.48 0.00 5.08 -1.04 -1.28 114.58 117.84 3iqa h GLU 297 Ca 0.12 -0.10 0.01 0.00 -1.00 0.00 0.00 59.36 58.38 3iqa h GLU 297 Cb 0.43 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 3iqa h GLU 297 CO 0.01 0.52 0.31 0.00 -1.00 0.00 0.00 179.01 178.86 3iqa h ALA 298 N 0.92 0.61 -0.45 3.43 0.00 -0.96 -2.22 119.26 120.59 3iqa h ALA 298 Ca 0.09 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3iqa h ALA 298 Cb 0.26 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3iqa h ALA 298 CO -0.00 0.04 0.23 0.00 0.00 0.00 0.00 179.25 179.52 3iqa h ALA 299 N 1.18 1.56 -0.65 0.00 0.00 -0.88 -1.77 119.26 118.70 3iqa h ALA 299 Ca 0.18 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 3iqa h ALA 299 Cb -0.06 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 3iqa h ALA 299 CO -0.04 0.36 0.20 1.15 0.00 0.00 0.00 179.25 180.91 3iqa h THR 300 N 0.62 1.25 -0.63 0.00 2.02 -0.69 0.23 112.91 115.71 3iqa h THR 300 Ca 0.16 -0.87 -0.05 0.00 0.77 0.00 0.00 66.41 66.41 3iqa h THR 300 Cb 0.05 0.58 -0.03 0.00 -1.74 0.00 0.00 68.15 67.01 3iqa h THR 300 CO -0.02 0.33 0.19 0.00 0.37 0.00 0.00 175.52 176.39 3iqa h VAL 302 N 0.91 1.06 -0.99 0.00 2.07 -1.04 -3.11 116.25 115.15 3iqa h VAL 302 Ca 0.20 -0.16 0.03 0.00 0.82 0.00 0.00 66.70 67.60 3iqa h VAL 302 Cb 0.30 1.09 -0.06 0.00 -1.52 0.00 0.00 31.29 31.10 3iqa h VAL 302 CO -0.01 0.05 0.65 0.00 0.02 0.00 0.00 177.57 178.28 3iqa h ALA 303 N 0.96 1.29 -0.88 1.67 0.00 -0.39 -1.83 119.26 120.08 3iqa h ALA 303 Ca 0.01 -0.05 0.09 0.00 0.00 0.00 0.00 54.91 54.97 3iqa h ALA 303 Cb 0.05 -0.36 -0.06 0.00 0.00 0.00 0.00 17.79 17.42 3iqa h ALA 303 CO -0.00 0.56 0.57 0.78 0.00 0.00 0.00 179.25 181.16 3iqa h GLY 304 N 1.27 1.27 1.35 0.00 0.00 -1.26 -1.35 103.07 104.34 3iqa h GLY 304 Ca 0.38 -0.37 -0.23 0.00 0.00 0.00 0.00 47.33 47.12 3iqa h GLY 304 CO -0.11 0.21 -0.89 -2.08 0.00 0.00 0.00 176.54 173.68 3iqa h VAL 305 N 0.89 1.32 0.00 4.60 2.07 -1.28 -3.30 116.25 120.55 3iqa h VAL 305 Ca 0.40 -2.19 0.00 0.00 0.82 0.00 0.00 66.70 65.73 3iqa h VAL 305 Cb 0.38 2.22 0.00 0.00 -1.52 0.00 0.00 31.29 32.37 3iqa h VAL 305 CO -0.17 0.67 -0.24 0.18 0.02 0.00 0.00 177.57 178.04 3iqa n LEU 306 N -3.85 0.54 -0.15 2.57 4.77 -0.89 -5.14 117.00 114.85 3iqa n LEU 306 Ca -0.08 0.38 0.15 0.00 -0.03 0.00 0.00 56.01 56.44 3iqa n LEU 306 Cb 0.80 -0.32 0.82 0.00 -2.33 0.00 0.00 43.42 42.39 3iqa n LEU 306 CO 0.53 -0.06 1.04 0.00 -1.33 0.00 0.00 177.39 177.56