#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iwz n ALA 24 N 0.00 1.51 0.36 2.12 0.00 -1.26 -0.97 120.51 122.27 3iwz n ALA 24 Ca 0.00 0.79 -0.17 0.00 0.00 0.00 0.00 53.44 54.06 3iwz n ALA 24 Cb 0.00 -1.07 -0.08 0.00 0.00 0.00 0.00 19.45 18.30 3iwz n ALA 24 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3iwz h GLY 25 N 0.00 -0.96 0.66 0.00 0.00 -2.05 -1.56 103.07 99.17 3iwz h GLY 25 Ca 0.88 0.35 0.06 0.00 0.00 0.00 0.00 47.33 48.63 3iwz h GLY 25 CO -0.32 -0.35 0.29 -0.84 0.00 0.00 0.00 176.54 175.33 3iwz h THR 26 N -1.08 0.93 0.10 4.70 2.02 -1.49 -2.20 112.91 115.90 3iwz h THR 26 Ca -0.09 -0.19 0.01 0.00 0.77 0.00 0.00 66.41 66.90 3iwz h THR 26 Cb 0.73 0.33 -0.03 0.00 -1.74 0.00 0.00 68.15 67.45 3iwz h THR 26 CO 0.15 0.10 -0.31 0.40 0.37 0.00 0.00 175.52 176.23 3iwz h ILE 27 N 0.55 0.00 -0.25 3.11 1.08 -1.34 0.11 117.51 120.77 3iwz h ILE 27 Ca 0.26 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.80 3iwz h ILE 27 Cb 0.19 0.00 -0.07 0.00 -3.07 0.00 0.00 36.82 33.86 3iwz h ILE 27 CO -0.19 0.00 -0.29 -0.33 -0.69 0.00 0.00 178.15 176.65 3iwz h GLU 28 N -0.47 -0.29 -0.08 2.37 5.08 -1.15 0.61 114.58 120.65 3iwz h GLU 28 Ca -0.01 0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.40 3iwz h GLU 28 Cb 0.46 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.77 3iwz h GLU 28 CO -0.15 -0.19 0.06 -0.09 -1.00 0.00 0.00 179.01 177.64 3iwz h ARG 29 N -0.30 0.00 -0.06 2.33 2.43 -1.29 0.42 114.38 117.92 3iwz h ARG 29 Ca 0.13 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 59.19 3iwz h ARG 29 Cb 0.51 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.07 3iwz h ARG 29 CO -0.42 0.00 -0.42 0.35 -1.51 0.00 0.00 179.97 177.97 3iwz h PHE 30 N 0.00 0.54 0.00 2.20 3.57 0.15 -3.26 116.94 120.14 3iwz h PHE 30 Ca 0.04 -0.25 -0.04 0.00 3.53 0.00 0.00 57.97 61.25 3iwz h PHE 30 Cb 0.16 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.82 3iwz h PHE 30 CO 0.00 1.02 -0.19 -0.07 -2.23 0.00 0.00 178.31 176.84 3iwz h LEU 31 N -0.09 0.00 -1.12 0.59 -0.00 0.19 -3.04 115.31 111.84 3iwz h LEU 31 Ca -0.04 0.00 0.07 0.00 -0.00 0.00 0.00 57.88 57.91 3iwz h LEU 31 Cb 1.09 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 41.69 3iwz h LEU 31 CO 0.09 0.19 0.60 0.00 -0.00 0.00 0.00 178.44 179.32 3iwz h ALA 32 N 1.81 1.49 -0.01 1.53 0.00 -0.28 -0.52 119.26 123.27 3iwz h ALA 32 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3iwz h ALA 32 Cb 0.61 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3iwz h ALA 32 CO 0.02 0.37 -0.04 0.72 0.00 0.00 0.00 179.25 180.32 3iwz n HIS 33 N -4.49 0.00 -3.67 0.00 8.25 -1.15 -4.90 115.22 109.25 3iwz n HIS 33 Ca 0.14 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.24 3iwz n HIS 33 Cb 0.20 -0.04 -0.06 0.00 1.12 0.00 0.00 29.99 31.21 3iwz n HIS 33 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3iwz s SER 34 N -2.13 6.59 -0.35 0.41 1.04 -0.21 -4.87 113.70 114.19 3iwz s SER 34 Ca 0.37 0.70 -0.17 0.00 0.48 0.00 0.00 55.95 57.33 3iwz s SER 34 Cb 0.21 -2.15 -0.01 0.00 0.10 0.00 0.00 66.02 64.18 3iwz s SER 34 CO 0.39 0.27 0.48 -2.28 0.98 0.00 0.00 173.24 173.08 3iwz s HIS 35 N -1.23 3.19 -0.42 5.02 5.65 0.12 -4.84 115.29 122.78 3iwz s HIS 35 Ca 0.26 0.14 -0.11 0.00 0.25 0.00 0.00 55.06 55.60 3iwz s HIS 35 Cb -0.14 -2.87 0.06 0.00 -1.18 0.00 0.00 32.58 28.46 3iwz s HIS 35 CO 0.14 -0.51 0.27 -0.98 -0.65 0.00 0.00 174.74 173.01 3iwz s ARG 36 N 2.31 2.74 0.03 2.88 1.70 -1.26 0.41 118.95 127.76 3iwz s ARG 36 Ca 0.17 -1.34 0.08 0.00 -0.47 0.00 0.00 55.73 54.17 3iwz s ARG 36 Cb -0.16 -3.84 -0.03 0.00 -0.57 0.00 0.00 34.95 30.35 3iwz s ARG 36 CO 0.13 -0.90 -0.21 -0.98 -1.08 0.00 0.00 175.30 172.26 3iwz s ARG 37 N 1.51 2.02 0.67 3.89 1.70 -0.99 -4.93 118.95 122.82 3iwz s ARG 37 Ca 0.03 -1.00 -0.10 0.00 -0.47 0.00 0.00 55.73 54.19 3iwz s ARG 37 Cb -0.22 -2.13 0.01 0.00 -0.57 0.00 0.00 34.95 32.04 3iwz s ARG 37 CO 0.04 0.54 1.05 1.03 -1.08 0.00 0.00 175.30 176.88 3iwz s ARG 38 N -1.26 2.92 -0.01 3.89 0.52 -1.26 -2.86 118.95 120.89 3iwz s ARG 38 Ca 0.13 0.38 -0.07 0.00 -0.52 0.00 0.00 55.73 55.65 3iwz s ARG 38 Cb -0.10 -2.08 0.00 0.00 0.52 0.00 0.00 34.95 33.29 3iwz s ARG 38 CO 0.03 -0.93 0.15 0.71 0.02 0.00 0.00 175.30 175.28 3iwz s TYR 39 N -3.27 -0.01 1.02 -0.53 2.02 0.15 -4.96 117.35 111.77 3iwz s TYR 39 Ca 0.57 -0.00 -0.14 0.00 -0.37 0.00 0.00 57.07 57.13 3iwz s TYR 39 Cb -0.11 -0.02 0.20 0.00 -0.40 0.00 0.00 41.96 41.63 3iwz s TYR 39 CO 0.50 -0.24 1.13 -2.14 -1.57 0.00 0.00 175.55 173.23 3iwz s PRO 40 N -1.06 0.27 0.81 -1.71 0.02 -1.26 -1.33 135.00 130.74 3iwz s PRO 40 Ca -0.11 0.24 -0.12 0.00 0.02 0.00 0.00 61.00 61.03 3iwz s PRO 40 Cb -0.06 -1.74 0.08 0.00 0.02 0.00 0.00 34.50 32.79 3iwz s PRO 40 CO 0.01 -2.78 1.11 -0.08 -0.33 0.00 0.00 177.00 174.93 3iwz s THR 41 N -3.14 2.86 -1.61 0.99 -1.32 -1.25 -3.75 115.64 108.41 3iwz s THR 41 Ca 0.67 0.28 -0.18 0.00 -1.21 0.00 0.00 61.69 61.25 3iwz s THR 41 Cb -0.14 -3.06 0.15 0.00 -1.51 0.00 0.00 72.50 67.94 3iwz s THR 41 CO 0.56 -0.37 0.71 0.54 -2.21 0.00 0.00 174.62 173.85 3iwz n ARG 42 N -3.45 -2.93 -4.58 7.08 1.74 -0.50 -4.93 116.66 109.08 3iwz n ARG 42 Ca 0.07 0.35 -0.34 0.00 -0.77 0.00 0.00 57.85 57.16 3iwz n ARG 42 Cb 0.57 -5.06 -0.11 0.00 -1.02 0.00 0.00 32.46 26.84 3iwz n ARG 42 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3iwz s THR 43 N -3.18 3.71 -0.59 0.55 2.01 -1.25 -4.87 115.64 112.02 3iwz s THR 43 Ca 0.69 -0.53 -0.19 0.00 0.31 0.00 0.00 61.69 61.96 3iwz s THR 43 Cb -0.38 -2.54 0.09 0.00 0.01 0.00 0.00 72.50 69.69 3iwz s THR 43 CO 0.85 0.56 0.74 -1.81 -0.69 0.00 0.00 174.62 174.26 3iwz s ASP 44 N -0.94 6.19 0.33 3.53 1.11 -1.26 -0.83 116.67 124.79 3iwz s ASP 44 Ca 0.13 -1.31 0.02 0.00 0.18 0.00 0.00 52.55 51.57 3iwz s ASP 44 Cb -0.11 -2.32 0.59 0.00 1.07 0.00 0.00 42.92 42.16 3iwz s ASP 44 CO 0.03 -1.14 1.95 0.58 1.18 0.00 0.00 175.17 177.76 3iwz h VAL 45 N 5.93 1.08 -1.91 -1.27 2.07 -1.17 -3.44 116.25 117.54 3iwz h VAL 45 Ca -0.29 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 66.89 3iwz h VAL 45 Cb 1.09 0.06 -0.20 0.00 -1.52 0.00 0.00 31.29 30.72 3iwz h VAL 45 CO 1.10 0.17 0.29 0.72 0.02 0.00 0.00 177.57 179.87 3iwz s PHE 46 N -5.82 -0.58 0.24 1.57 -0.12 -1.21 -5.00 117.98 107.07 3iwz s PHE 46 Ca -0.11 0.97 0.05 0.00 -0.05 0.00 0.00 56.93 57.79 3iwz s PHE 46 Cb 0.19 0.43 -0.05 0.00 -0.63 0.00 0.00 43.02 42.95 3iwz s PHE 46 CO 0.79 -0.54 -0.04 1.03 -0.05 0.00 0.00 175.22 176.41 3iwz s ARG 47 N -1.26 1.41 0.06 1.99 0.52 -1.26 -1.21 118.95 119.21 3iwz s ARG 47 Ca -0.08 -1.70 -0.35 0.00 -0.52 0.00 0.00 55.73 53.07 3iwz s ARG 47 Cb -0.00 -0.85 -0.14 0.00 0.52 0.00 0.00 34.95 34.47 3iwz s ARG 47 CO 0.07 -0.02 1.58 -2.30 0.02 0.00 0.00 175.30 174.65 3iwz n PRO 48 N -0.47 1.81 0.00 3.54 -0.02 -1.11 -1.82 135.00 136.93 3iwz n PRO 48 Ca -0.06 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 3iwz n PRO 48 Cb 0.63 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 3iwz n PRO 48 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3iwz n GLY 49 N 3.41 1.46 3.89 -1.23 0.00 -1.09 -4.92 105.19 106.71 3iwz n GLY 49 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 3iwz n GLY 49 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3iwz s ASP 50 N -1.85 5.96 0.64 1.61 1.01 -0.75 -4.70 116.67 118.59 3iwz s ASP 50 Ca 0.00 1.15 -0.18 0.00 0.71 0.00 0.00 52.55 54.22 3iwz s ASP 50 Cb 0.00 -2.19 -0.02 0.00 1.01 0.00 0.00 42.92 41.73 3iwz s ASP 50 CO 0.00 -0.95 1.31 -2.84 0.21 0.00 0.00 175.17 172.90 3iwz s PRO 51 N -5.10 2.61 -0.64 8.23 0.02 -1.25 -1.06 135.00 137.81 3iwz s PRO 51 Ca 0.54 2.10 0.05 0.00 0.02 0.00 0.00 61.00 63.70 3iwz s PRO 51 Cb -0.11 -1.89 0.16 0.00 0.02 0.00 0.00 34.50 32.68 3iwz s PRO 51 CO 0.50 -1.56 0.43 0.00 -0.33 0.00 0.00 177.00 176.04 3iwz s ALA 52 N -1.37 3.53 -0.01 -1.55 0.00 -1.07 -4.62 121.76 116.66 3iwz s ALA 52 Ca 0.81 -3.61 0.02 0.00 0.00 0.00 0.00 51.96 49.18 3iwz s ALA 52 Cb -0.38 -2.12 0.03 0.00 0.00 0.00 0.00 23.12 20.64 3iwz s ALA 52 CO 0.41 -2.07 0.79 0.41 0.00 0.00 0.00 175.76 175.29 3iwz n GLY 53 N 2.30 -0.12 3.04 0.00 0.00 -1.26 -4.83 105.19 104.32 3iwz n GLY 53 Ca 0.17 -0.12 -0.09 0.00 0.00 0.00 0.00 46.02 45.98 3iwz n GLY 53 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3iwz s THR 54 N -0.51 0.14 -0.10 2.61 -4.23 -1.26 -2.21 115.64 110.07 3iwz s THR 54 Ca 0.03 -1.12 0.02 0.00 -1.18 0.00 0.00 61.69 59.44 3iwz s THR 54 Cb 0.03 -0.67 -0.02 0.00 1.34 0.00 0.00 72.50 73.18 3iwz s THR 54 CO 0.00 -0.62 -0.15 -0.22 -0.54 0.00 0.00 174.62 173.09 3iwz s LEU 55 N -1.90 2.61 0.06 4.79 2.96 0.12 -4.71 118.68 122.61 3iwz s LEU 55 Ca -0.09 -0.33 0.04 0.00 -0.22 0.00 0.00 54.13 53.53 3iwz s LEU 55 Cb -0.04 -1.56 -0.04 0.00 0.50 0.00 0.00 46.19 45.05 3iwz s LEU 55 CO -0.03 0.22 0.01 -0.31 -1.32 0.00 0.00 176.35 174.91 3iwz s TYR 56 N 0.00 3.03 -0.10 5.38 2.02 -0.65 -1.40 117.35 125.63 3iwz s TYR 56 Ca -0.05 0.01 -0.00 0.00 -0.37 0.00 0.00 57.07 56.66 3iwz s TYR 56 Cb -0.14 -1.58 0.02 0.00 -0.40 0.00 0.00 41.96 39.86 3iwz s TYR 56 CO 0.04 0.48 -0.07 -0.47 -1.57 0.00 0.00 175.55 173.96 3iwz s TYR 57 N -1.25 1.35 -0.39 2.71 5.04 -0.02 -1.30 117.35 123.49 3iwz s TYR 57 Ca 0.24 -0.62 -0.29 0.00 -2.44 0.00 0.00 57.07 53.97 3iwz s TYR 57 Cb -0.12 -1.13 0.01 0.00 0.35 0.00 0.00 41.96 41.07 3iwz s TYR 57 CO 0.16 -0.44 1.37 0.08 -1.34 0.00 0.00 175.55 175.38 3iwz s VAL 58 N 1.55 3.98 -0.17 3.14 1.01 0.15 -0.97 120.40 129.08 3iwz s VAL 58 Ca 0.01 1.02 -0.18 0.00 0.00 0.00 0.00 61.98 62.84 3iwz s VAL 58 Cb -0.13 -4.21 -0.15 0.00 0.00 0.00 0.00 36.38 31.89 3iwz s VAL 58 CO -0.06 -0.70 0.17 0.40 0.00 0.00 0.00 175.10 174.91 3iwz h ILE 59 N 6.33 0.73 -3.90 2.22 2.04 -1.58 0.69 117.51 124.05 3iwz h ILE 59 Ca -0.27 -1.82 -0.22 0.00 1.00 0.00 0.00 64.86 63.55 3iwz h ILE 59 Cb 1.10 1.65 -0.24 0.00 -0.74 0.00 0.00 36.82 38.59 3iwz h ILE 59 CO 1.08 0.25 -0.72 -0.94 0.00 0.00 0.00 178.15 177.82 3iwz s SER 60 N -6.39 0.31 0.00 1.72 1.04 -1.01 -4.54 113.70 104.83 3iwz s SER 60 Ca -0.22 -0.31 0.00 0.00 0.48 0.00 0.00 55.95 55.90 3iwz s SER 60 Cb 0.03 0.04 0.00 0.00 0.10 0.00 0.00 66.02 66.19 3iwz s SER 60 CO 0.47 -0.15 0.00 0.61 0.98 0.00 0.00 173.24 175.14 3iwz n GLY 61 N 2.17 -2.95 2.91 7.32 0.00 -1.26 -2.14 105.19 111.25 3iwz n GLY 61 Ca -0.19 -2.07 -0.15 0.00 0.00 0.00 0.00 46.02 43.61 3iwz n GLY 61 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3iwz s SER 62 N -2.14 0.41 0.29 1.61 1.04 -1.26 -3.44 113.70 110.23 3iwz s SER 62 Ca 0.00 -0.06 0.07 0.00 0.48 0.00 0.00 55.95 56.44 3iwz s SER 62 Cb 0.00 -0.08 -0.06 0.00 0.10 0.00 0.00 66.02 65.98 3iwz s SER 62 CO 0.00 0.02 -0.06 0.68 0.98 0.00 0.00 173.24 174.86 3iwz s VAL 63 N 0.10 1.74 0.00 5.02 -7.23 0.50 -1.06 120.40 119.47 3iwz s VAL 63 Ca -0.01 -2.14 0.05 0.00 -1.81 0.00 0.00 61.98 58.08 3iwz s VAL 63 Cb -0.03 -2.50 -0.01 0.00 0.56 0.00 0.00 36.38 34.39 3iwz s VAL 63 CO -0.00 -0.27 -0.15 -0.94 -0.31 0.00 0.00 175.10 173.42 3iwz s SER 64 N -3.48 1.81 -0.24 4.85 1.04 0.19 0.36 113.70 118.23 3iwz s SER 64 Ca 0.30 -0.32 -0.10 0.00 0.48 0.00 0.00 55.95 56.31 3iwz s SER 64 Cb 0.04 -0.18 -0.05 0.00 0.10 0.00 0.00 66.02 65.92 3iwz s SER 64 CO 0.13 0.16 0.16 -0.63 0.98 0.00 0.00 173.24 174.04 3iwz s ILE 65 N -0.47 5.33 -0.08 -1.02 -1.09 -0.94 -1.05 121.20 121.88 3iwz s ILE 65 Ca 0.05 0.17 0.02 0.00 -2.23 0.00 0.00 60.65 58.67 3iwz s ILE 65 Cb -0.06 -3.48 0.01 0.00 -1.58 0.00 0.00 42.46 37.34 3iwz s ILE 65 CO -0.00 0.35 -0.15 -0.63 -1.23 0.00 0.00 174.94 173.28 3iwz s ILE 66 N 1.07 1.38 0.04 2.92 1.01 -0.06 -0.61 121.20 126.94 3iwz s ILE 66 Ca 0.07 -0.61 -0.17 0.00 0.00 0.00 0.00 60.65 59.95 3iwz s ILE 66 Cb -0.14 -1.24 -0.06 0.00 0.01 0.00 0.00 42.46 41.03 3iwz s ILE 66 CO 0.05 0.41 0.48 0.00 0.00 0.00 0.00 174.94 175.88 3iwz s ALA 67 N 0.69 3.65 0.19 9.38 0.00 -0.51 -0.59 121.76 134.57 3iwz s ALA 67 Ca -0.13 -0.10 0.10 0.00 0.00 0.00 0.00 51.96 51.83 3iwz s ALA 67 Cb -0.16 -2.50 -0.04 0.00 0.00 0.00 0.00 23.12 20.42 3iwz s ALA 67 CO 0.03 0.45 -0.21 -2.00 0.00 0.00 0.00 175.76 174.03 3iwz s GLU 68 N -1.11 1.43 0.48 0.00 2.12 -1.26 -1.52 118.70 118.83 3iwz s GLU 68 Ca 0.26 -1.50 0.07 0.00 0.36 0.00 0.00 54.97 54.16 3iwz s GLU 68 Cb -0.18 -1.62 0.01 0.00 0.26 0.00 0.00 34.13 32.61 3iwz s GLU 68 CO 0.16 0.34 0.42 -2.00 -0.54 0.00 0.00 175.26 173.64 3iwz s GLU 69 N -2.81 2.39 0.20 4.30 -6.30 -0.57 -4.98 118.70 110.93 3iwz s GLU 69 Ca 0.19 -1.73 0.10 0.00 -2.50 0.00 0.00 54.97 51.03 3iwz s GLU 69 Cb -0.07 -2.29 -0.00 0.00 0.00 0.00 0.00 34.13 31.78 3iwz s GLU 69 CO 0.09 -0.41 1.40 -0.44 0.02 0.00 0.00 175.26 175.92 3iwz h ASP 70 N 0.86 0.00 0.49 -1.70 3.32 -2.01 -2.97 116.42 114.40 3iwz h ASP 70 Ca -0.39 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.66 3iwz h ASP 70 Cb 1.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.83 3iwz h ASP 70 CO 0.56 0.78 0.00 -0.78 -1.72 0.00 0.00 179.24 178.08 3iwz h ASP 71 N 0.00 0.00 0.00 6.45 3.58 -2.06 -3.45 116.42 120.94 3iwz h ASP 71 Ca -0.01 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.44 3iwz h ASP 71 Cb 1.52 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.57 3iwz h ASP 71 CO 0.10 0.00 0.00 -0.67 -2.88 0.00 0.00 179.24 175.79 3iwz n ASP 72 N -2.39 -1.04 -4.82 2.28 2.03 -1.12 -5.07 116.55 106.42 3iwz n ASP 72 Ca 0.01 0.00 -0.38 0.00 0.52 0.00 0.00 54.79 54.93 3iwz n ASP 72 Cb 0.17 -0.25 -0.06 0.00 -0.72 0.00 0.00 41.12 40.26 3iwz n ASP 72 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 3iwz s ARG 73 N -1.66 4.14 0.05 -0.67 1.81 -1.26 -4.88 118.95 116.48 3iwz s ARG 73 Ca 0.00 0.67 0.08 0.00 -1.72 0.00 0.00 55.73 54.76 3iwz s ARG 73 Cb 0.00 -3.22 -0.03 0.00 -0.45 0.00 0.00 34.95 31.25 3iwz s ARG 73 CO 0.00 0.64 -0.22 -1.21 -0.68 0.00 0.00 175.30 173.83 3iwz s GLU 74 N -1.14 1.88 -0.19 3.54 2.02 -1.26 -1.51 118.70 122.04 3iwz s GLU 74 Ca 0.28 -1.08 -0.03 0.00 0.02 0.00 0.00 54.97 54.17 3iwz s GLU 74 Cb -0.19 -2.07 0.06 0.00 0.10 0.00 0.00 34.13 32.03 3iwz s GLU 74 CO 0.18 0.52 0.04 -1.17 0.02 0.00 0.00 175.26 174.84 3iwz s LEU 75 N -1.44 1.15 0.02 1.80 2.96 -0.58 -4.48 118.68 118.11 3iwz s LEU 75 Ca 0.13 -0.79 -0.30 0.00 -0.22 0.00 0.00 54.13 52.95 3iwz s LEU 75 Cb -0.10 -0.58 -0.05 0.00 0.50 0.00 0.00 46.19 45.95 3iwz s LEU 75 CO 0.04 -0.30 1.31 -0.69 -1.32 0.00 0.00 176.35 175.39 3iwz s VAL 76 N 1.87 3.83 -0.13 1.68 1.01 0.99 -1.43 120.40 128.22 3iwz s VAL 76 Ca -0.01 1.25 0.19 0.00 0.00 0.00 0.00 61.98 63.41 3iwz s VAL 76 Cb -0.17 -3.80 -0.18 0.00 0.00 0.00 0.00 36.38 32.22 3iwz s VAL 76 CO -0.08 0.04 0.64 0.18 0.00 0.00 0.00 175.10 175.88 3iwz n LEU 77 N 4.78 0.52 0.00 3.92 4.77 0.21 -4.67 117.00 126.53 3iwz n LEU 77 Ca 0.11 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.32 3iwz n LEU 77 Cb 0.45 0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 3iwz n LEU 77 CO 0.57 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.37 3iwz n GLY 78 N 1.40 0.96 3.38 -0.72 0.00 -1.23 -4.82 105.19 104.16 3iwz n GLY 78 Ca -0.11 -0.88 -0.32 0.00 0.00 0.00 0.00 46.02 44.71 3iwz n GLY 78 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3iwz s TYR 79 N -2.00 2.51 -0.01 1.61 2.02 -1.26 -2.21 117.35 118.00 3iwz s TYR 79 Ca 0.00 -0.33 0.03 0.00 -0.37 0.00 0.00 57.07 56.40 3iwz s TYR 79 Cb 0.00 -1.57 -0.01 0.00 -0.40 0.00 0.00 41.96 39.99 3iwz s TYR 79 CO 0.00 0.05 -0.10 -0.06 -1.57 0.00 0.00 175.55 173.87 3iwz s PHE 80 N -0.62 0.89 0.00 2.71 0.08 0.16 -4.95 117.98 116.24 3iwz s PHE 80 Ca 0.10 -0.17 0.00 0.00 0.12 0.00 0.00 56.93 56.97 3iwz s PHE 80 Cb -0.11 -0.57 0.00 0.00 -0.57 0.00 0.00 43.02 41.77 3iwz s PHE 80 CO -0.00 -0.01 0.00 0.41 -0.10 0.00 0.00 175.22 175.52 3iwz n GLY 81 N 2.81 4.17 3.59 4.36 0.00 -1.26 -0.37 105.19 118.49 3iwz n GLY 81 Ca -0.14 -2.15 -0.46 0.00 0.00 0.00 0.00 46.02 43.27 3iwz n GLY 81 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3iwz n SER 82 N -1.19 1.40 0.00 1.61 3.41 -1.22 -1.93 113.62 115.69 3iwz n SER 82 Ca 0.00 1.16 0.00 0.00 -0.26 0.00 0.00 58.87 59.77 3iwz n SER 82 Cb 0.00 -1.27 0.00 0.00 -0.26 0.00 0.00 64.21 62.68 3iwz n SER 82 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3iwz n GLY 83 N 1.62 2.63 3.79 5.00 0.00 0.24 -4.98 105.19 113.48 3iwz n GLY 83 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 3iwz n GLY 83 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3iwz s GLU 84 N -0.90 4.50 -0.13 1.61 0.41 -0.81 -4.81 118.70 118.57 3iwz s GLU 84 Ca 0.00 1.11 -0.12 0.00 -0.41 0.00 0.00 54.97 55.55 3iwz s GLU 84 Cb 0.00 -3.13 -0.05 0.00 -1.78 0.00 0.00 34.13 29.17 3iwz s GLU 84 CO 0.00 0.50 0.27 -0.06 -0.49 0.00 0.00 175.26 175.49 3iwz s PHE 85 N -1.28 3.53 0.06 1.61 0.08 -1.26 -0.67 117.98 120.05 3iwz s PHE 85 Ca 0.39 0.63 0.00 0.00 0.12 0.00 0.00 56.93 58.07 3iwz s PHE 85 Cb -0.21 -2.25 -0.04 0.00 -0.57 0.00 0.00 43.02 39.95 3iwz s PHE 85 CO 0.25 0.40 -0.05 0.14 -0.10 0.00 0.00 175.22 175.86 3iwz s VAL 86 N -0.06 0.43 -1.12 -0.44 -7.23 -0.42 -4.75 120.40 106.80 3iwz s VAL 86 Ca 0.17 -1.70 0.00 0.00 -1.81 0.00 0.00 61.98 58.64 3iwz s VAL 86 Cb -0.13 -1.37 0.00 0.00 0.56 0.00 0.00 36.38 35.44 3iwz s VAL 86 CO 0.05 -0.84 0.00 0.61 -0.31 0.00 0.00 175.10 174.61 3iwz n GLY 87 N 0.33 0.47 0.29 2.32 0.00 -1.26 -1.64 105.19 105.70 3iwz n GLY 87 Ca -0.15 -0.42 0.13 0.00 0.00 0.00 0.00 46.02 45.58 3iwz n GLY 87 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3iwz n GLU 88 N -2.36 0.99 -0.18 1.61 0.00 -1.26 -4.39 120.64 115.05 3iwz n GLU 88 Ca -0.13 -0.58 -0.06 0.00 0.00 0.00 0.00 57.16 56.39 3iwz n GLU 88 Cb 0.52 -1.49 0.04 0.00 0.00 0.00 0.00 31.44 30.51 3iwz n GLU 88 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.13 179.11 3iwz h MET 89 N 1.42 0.66 -0.03 3.44 4.05 -1.94 -1.81 114.93 120.72 3iwz h MET 89 Ca 0.00 -0.04 0.01 0.00 -0.28 0.00 0.00 59.70 59.39 3iwz h MET 89 Cb 0.50 -0.15 -0.00 0.00 -0.80 0.00 0.00 31.60 31.15 3iwz h MET 89 CO 0.00 0.44 0.25 0.78 0.23 0.00 0.00 176.91 178.61 3iwz h GLY 90 N 0.68 0.00 2.00 1.39 0.00 -1.77 0.12 103.07 105.49 3iwz h GLY 90 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.54 3iwz h GLY 90 CO -0.08 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.50 3iwz n LEU 91 N -3.03 0.57 0.00 3.11 4.77 -0.68 -3.95 117.00 117.79 3iwz n LEU 91 Ca -0.02 0.60 0.00 0.00 -0.03 0.00 0.00 56.01 56.56 3iwz n LEU 91 Cb 0.32 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 3iwz n LEU 91 CO 0.17 -0.33 -0.48 0.49 -1.33 0.00 0.00 177.39 175.91 3iwz n PHE 92 N -2.08 0.00 -4.65 -1.77 3.72 0.27 -5.02 117.46 107.94 3iwz n PHE 92 Ca 0.04 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.11 3iwz n PHE 92 Cb 0.31 0.00 -0.16 0.00 -0.94 0.00 0.00 39.48 38.69 3iwz n PHE 92 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3iwz s ILE 93 N -1.97 2.46 -0.24 4.37 -1.09 -0.40 -5.07 121.20 119.26 3iwz s ILE 93 Ca 0.00 -0.85 -0.28 0.00 -2.23 0.00 0.00 60.65 57.29 3iwz s ILE 93 Cb 0.00 -2.01 -0.05 0.00 -1.58 0.00 0.00 42.46 38.82 3iwz s ILE 93 CO 0.00 0.53 2.23 -0.70 -1.23 0.00 0.00 174.94 175.77 3iwz s GLU 94 N 0.74 3.04 -0.03 2.79 2.12 -1.26 -4.29 118.70 121.81 3iwz s GLU 94 Ca -0.07 1.97 -0.11 0.00 0.36 0.00 0.00 54.97 57.11 3iwz s GLU 94 Cb -0.16 -4.39 0.02 0.00 0.26 0.00 0.00 34.13 29.86 3iwz s GLU 94 CO 0.01 -2.21 0.25 -1.54 -0.54 0.00 0.00 175.26 171.22 3iwz s SER 95 N 8.63 -0.15 -0.03 -1.70 1.04 -1.26 -5.02 113.70 115.21 3iwz s SER 95 Ca 1.00 0.12 0.19 0.00 0.48 0.00 0.00 55.95 57.75 3iwz s SER 95 Cb -0.32 0.34 -0.30 0.00 0.10 0.00 0.00 66.02 65.85 3iwz s SER 95 CO 0.34 -0.33 0.42 0.47 0.98 0.00 0.00 173.24 175.12 3iwz n ASP 96 N 1.76 0.57 -4.55 7.02 10.43 -1.26 -4.57 116.55 125.94 3iwz n ASP 96 Ca -0.20 0.00 -0.25 0.00 2.57 0.00 0.00 54.79 56.92 3iwz n ASP 96 Cb 0.56 1.88 -0.09 0.00 1.84 0.00 0.00 41.12 45.31 3iwz n ASP 96 CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 3iwz s THR 97 N -3.34 2.58 0.18 -3.53 -4.23 -1.26 -2.58 115.64 103.46 3iwz s THR 97 Ca -0.07 -2.18 -0.17 0.00 -1.18 0.00 0.00 61.69 58.10 3iwz s THR 97 Cb 0.12 -2.59 -0.08 0.00 1.34 0.00 0.00 72.50 71.29 3iwz s THR 97 CO 0.81 -0.29 0.63 -0.13 -0.54 0.00 0.00 174.62 175.09 3iwz s ARG 98 N -3.61 4.09 0.18 3.99 1.81 -0.22 -4.65 118.95 120.54 3iwz s ARG 98 Ca 0.32 0.65 0.23 0.00 -1.72 0.00 0.00 55.73 55.21 3iwz s ARG 98 Cb -0.02 -2.90 0.03 0.00 -0.45 0.00 0.00 34.95 31.61 3iwz s ARG 98 CO 0.17 0.44 1.06 0.39 -0.68 0.00 0.00 175.30 176.67 3iwz n GLU 99 N 0.74 0.56 -1.92 3.54 -0.58 -1.26 -2.67 120.64 119.05 3iwz n GLU 99 Ca -0.04 0.11 -0.00 0.00 -0.42 0.00 0.00 57.16 56.81 3iwz n GLU 99 Cb 0.51 -1.80 -0.00 0.00 -0.57 0.00 0.00 31.44 29.59 3iwz n GLU 99 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 3iwz n VAL 100 N -2.58 0.00 -4.12 2.62 0.24 -1.26 -4.78 118.33 108.45 3iwz n VAL 100 Ca 0.00 -0.00 -0.35 0.00 -2.04 0.00 0.00 64.34 61.95 3iwz n VAL 100 Cb 0.53 0.00 -0.10 0.00 -1.47 0.00 0.00 33.84 32.81 3iwz n VAL 100 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 3iwz s ILE 101 N -2.08 4.64 -0.32 1.34 1.01 0.25 -2.73 121.20 123.30 3iwz s ILE 101 Ca 0.00 -0.10 -0.05 0.00 0.00 0.00 0.00 60.65 60.50 3iwz s ILE 101 Cb 0.00 -3.05 0.04 0.00 0.01 0.00 0.00 42.46 39.46 3iwz s ILE 101 CO 0.00 0.51 0.07 -0.22 0.00 0.00 0.00 174.94 175.30 3iwz s LEU 102 N 0.01 4.16 -0.05 2.97 2.96 -0.35 -0.88 118.68 127.49 3iwz s LEU 102 Ca 0.05 -1.13 0.04 0.00 -0.22 0.00 0.00 54.13 52.87 3iwz s LEU 102 Cb -0.12 -1.83 -0.00 0.00 0.50 0.00 0.00 46.19 44.74 3iwz s LEU 102 CO 0.01 -0.30 -0.19 -0.60 -1.32 0.00 0.00 176.35 173.96 3iwz s ARG 103 N 1.37 2.03 0.24 1.98 3.52 -0.22 -0.48 118.95 127.39 3iwz s ARG 103 Ca -0.02 -0.66 -0.30 0.00 -0.13 0.00 0.00 55.73 54.62 3iwz s ARG 103 Cb -0.19 -1.71 -0.09 0.00 -1.56 0.00 0.00 34.95 31.40 3iwz s ARG 103 CO 0.02 0.24 1.00 0.95 -0.81 0.00 0.00 175.30 176.69 3iwz s THR 104 N 0.10 3.88 -0.20 4.11 -4.23 -0.01 0.56 115.64 119.85 3iwz s THR 104 Ca -0.06 1.87 0.19 0.00 -1.18 0.00 0.00 61.69 62.51 3iwz s THR 104 Cb -0.13 -4.19 -0.28 0.00 1.34 0.00 0.00 72.50 69.24 3iwz s THR 104 CO 0.03 0.43 0.51 0.54 -0.54 0.00 0.00 174.62 175.59 3iwz n ARG 105 N 1.49 0.62 -3.22 3.99 1.74 -0.23 -1.41 116.66 119.64 3iwz n ARG 105 Ca -0.01 -0.14 -0.10 0.00 -0.77 0.00 0.00 57.85 56.82 3iwz n ARG 105 Cb 0.46 -1.45 -0.03 0.00 -1.02 0.00 0.00 32.46 30.43 3iwz n ARG 105 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3iwz n THR 106 N -2.03 0.00 -2.10 0.55 -2.24 -1.21 -4.62 114.28 102.62 3iwz n THR 106 Ca -0.02 -1.25 -0.41 0.00 -2.27 0.00 0.00 64.05 60.11 3iwz n THR 106 Cb 0.47 0.74 -0.02 0.00 -2.10 0.00 0.00 70.33 69.42 3iwz n THR 106 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 3iwz s GLN 107 N -2.58 4.35 0.06 -0.78 0.74 -1.26 -3.97 119.66 116.21 3iwz s GLN 107 Ca 0.20 2.23 0.01 0.00 0.05 0.00 0.00 55.36 57.85 3iwz s GLN 107 Cb -0.00 -3.07 -0.03 0.00 1.10 0.00 0.00 33.01 31.00 3iwz s GLN 107 CO 0.15 -0.21 -0.05 0.00 -0.55 0.00 0.00 175.29 174.62 3iwz s GLU 109 N -2.86 1.82 -0.04 0.00 2.12 -0.91 0.31 118.70 119.14 3iwz s GLU 109 Ca 0.00 -0.74 0.05 0.00 0.36 0.00 0.00 54.97 54.65 3iwz s GLU 109 Cb -0.01 -2.29 -0.01 0.00 0.26 0.00 0.00 34.13 32.09 3iwz s GLU 109 CO -0.04 -0.43 -0.21 -0.51 -0.54 0.00 0.00 175.26 173.52 3iwz s LEU 110 N 1.47 2.00 -0.25 2.70 1.43 -1.14 -1.45 118.68 123.45 3iwz s LEU 110 Ca -0.01 -0.42 -0.11 0.00 -1.03 0.00 0.00 54.13 52.56 3iwz s LEU 110 Cb -0.16 -1.16 -0.05 0.00 0.03 0.00 0.00 46.19 44.85 3iwz s LEU 110 CO -0.08 0.21 0.19 0.00 0.23 0.00 0.00 176.35 176.90 3iwz s ALA 111 N -0.15 3.58 0.15 4.21 0.00 -0.15 -2.33 121.76 127.07 3iwz s ALA 111 Ca -0.01 -0.94 0.05 0.00 0.00 0.00 0.00 51.96 51.05 3iwz s ALA 111 Cb -0.12 -2.41 -0.04 0.00 0.00 0.00 0.00 23.12 20.55 3iwz s ALA 111 CO 0.02 -0.35 0.13 -1.83 0.00 0.00 0.00 175.76 173.73 3iwz s GLU 112 N 1.38 2.90 -0.25 0.00 -1.05 0.17 -0.84 118.70 121.00 3iwz s GLU 112 Ca 0.08 -0.85 -0.23 0.00 -0.15 0.00 0.00 54.97 53.82 3iwz s GLU 112 Cb -0.15 -2.65 0.07 0.00 -0.44 0.00 0.00 34.13 30.96 3iwz s GLU 112 CO 0.07 0.49 0.67 -1.50 0.95 0.00 0.00 175.26 175.95 3iwz s ILE 113 N -1.70 -0.00 0.61 1.83 2.07 -0.49 0.11 121.20 123.63 3iwz s ILE 113 Ca 0.31 0.00 -0.18 0.00 -1.41 0.00 0.00 60.65 59.37 3iwz s ILE 113 Cb -0.10 -0.94 -0.02 0.00 0.13 0.00 0.00 42.46 41.52 3iwz s ILE 113 CO 0.23 0.00 1.18 -0.55 -1.91 0.00 0.00 174.94 173.89 3iwz s SER 114 N 0.42 5.15 0.03 4.50 0.15 -1.26 0.12 113.70 122.81 3iwz s SER 114 Ca -0.01 2.28 -0.24 0.00 0.70 0.00 0.00 55.95 58.68 3iwz s SER 114 Cb -0.05 -2.59 -0.17 0.00 -1.71 0.00 0.00 66.02 61.50 3iwz s SER 114 CO -0.00 -1.62 1.47 1.88 1.20 0.00 0.00 173.24 176.18 3iwz h TYR 115 N 0.65 0.03 -0.04 3.44 0.05 -1.78 0.30 116.97 119.62 3iwz h TYR 115 Ca -0.49 -0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.28 3iwz h TYR 115 Cb 1.28 -0.01 -0.00 0.00 1.01 0.00 0.00 36.73 39.01 3iwz h TYR 115 CO 0.49 0.30 0.03 0.93 -1.05 0.00 0.00 178.16 178.85 3iwz h GLU 116 N -0.25 0.06 -0.30 4.88 4.39 -1.93 -1.48 114.58 119.96 3iwz h GLU 116 Ca 0.01 -0.01 0.04 0.00 0.34 0.00 0.00 59.36 59.74 3iwz h GLU 116 Cb 0.29 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 28.88 3iwz h GLU 116 CO 0.00 0.08 0.05 0.00 -1.16 0.00 0.00 179.01 177.98 3iwz h ARG 117 N 0.02 0.15 0.00 2.33 2.47 -1.92 0.65 114.38 118.08 3iwz h ARG 117 Ca 0.01 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.73 3iwz h ARG 117 Cb 0.04 -0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 3iwz h ARG 117 CO -0.00 0.10 0.00 1.25 0.56 0.00 0.00 179.97 181.88 3iwz h LEU 118 N 0.16 0.00 0.10 3.04 5.85 -0.13 -0.86 115.31 123.47 3iwz h LEU 118 Ca 0.14 0.00 -0.37 0.00 0.84 0.00 0.00 57.88 58.49 3iwz h LEU 118 Cb 0.15 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 3iwz h LEU 118 CO -0.19 0.00 -2.09 1.67 -0.34 0.00 0.00 178.44 177.49 3iwz n GLN 119 N -3.07 0.74 0.33 1.25 7.27 0.39 -1.35 117.38 122.94 3iwz n GLN 119 Ca -0.03 0.24 0.21 0.00 0.07 0.00 0.00 57.00 57.49 3iwz n GLN 119 Cb 0.09 -1.67 1.13 0.00 2.41 0.00 0.00 30.24 32.20 3iwz n GLN 119 CO 0.00 0.00 0.00 1.96 0.07 0.00 0.00 177.06 179.09 3iwz h GLN 120 N 0.06 0.00 0.08 3.69 4.20 0.87 0.15 115.11 124.16 3iwz h GLN 120 Ca -0.45 0.00 -0.36 0.00 0.06 0.00 0.00 58.65 57.90 3iwz h GLN 120 Cb 2.01 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 29.76 3iwz h GLN 120 CO 0.05 0.00 -2.03 1.28 -0.67 0.00 0.00 178.83 177.47 3iwz n LEU 121 N -3.32 2.27 0.07 1.46 4.77 -0.39 -4.19 117.00 117.67 3iwz n LEU 121 Ca -0.03 0.19 0.05 0.00 -0.03 0.00 0.00 56.01 56.19 3iwz n LEU 121 Cb 0.08 -0.80 0.47 0.00 -2.33 0.00 0.00 43.42 40.84 3iwz n LEU 121 CO 0.22 0.77 1.12 -0.26 -1.33 0.00 0.00 177.39 177.91 3iwz h PHE 122 N 0.05 0.38 -0.69 -1.77 0.05 0.25 0.11 116.94 115.31 3iwz h PHE 122 Ca -0.43 0.01 -0.05 0.00 3.82 0.00 0.00 57.97 61.32 3iwz h PHE 122 Cb 2.02 -0.13 -0.03 0.00 2.00 0.00 0.00 35.95 39.82 3iwz h PHE 122 CO 0.05 0.25 0.23 1.96 -0.18 0.00 0.00 178.31 180.63 3iwz h GLN 123 N 0.40 1.07 0.00 1.51 4.20 -1.27 -3.25 115.11 117.76 3iwz h GLN 123 Ca 0.11 -0.22 0.00 0.00 0.06 0.00 0.00 58.65 58.60 3iwz h GLN 123 Cb -0.02 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.60 3iwz h GLN 123 CO -0.02 0.91 0.00 0.25 -0.67 0.00 0.00 178.83 179.30 3iwz n THR 124 N -4.33 0.00 -0.22 -0.54 -2.24 -0.87 -4.66 114.28 101.43 3iwz n THR 124 Ca 0.05 0.00 0.21 0.00 -2.27 0.00 0.00 64.05 62.04 3iwz n THR 124 Cb 0.21 -0.24 0.39 0.00 -2.10 0.00 0.00 70.33 68.59 3iwz n THR 124 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3iwz n SER 125 N -1.18 0.20 -0.22 3.42 2.88 -0.83 0.11 113.62 118.01 3iwz n SER 125 Ca 0.00 1.16 0.07 0.00 -1.33 0.00 0.00 58.87 58.77 3iwz n SER 125 Cb 0.00 -0.55 0.11 0.00 -0.75 0.00 0.00 64.21 63.02 3iwz n SER 125 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3iwz n LEU 126 N -4.61 1.83 -0.31 2.46 4.77 0.31 -4.83 117.00 116.62 3iwz n LEU 126 Ca 0.25 -2.66 0.15 0.00 -0.03 0.00 0.00 56.01 53.73 3iwz n LEU 126 Cb 0.85 -0.33 0.39 0.00 -2.33 0.00 0.00 43.42 42.00 3iwz n LEU 126 CO -0.00 0.64 1.21 -1.28 -1.33 0.00 0.00 177.39 176.63 3iwz h SER 127 N 0.07 0.64 1.27 -1.43 0.87 -0.36 0.32 113.55 114.93 3iwz h SER 127 Ca -0.00 0.07 -0.00 0.00 -1.23 0.00 0.00 61.79 60.62 3iwz h SER 127 Cb 1.10 -0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 63.01 3iwz h SER 127 CO 0.00 0.25 -0.01 -0.65 -0.53 0.00 0.00 176.83 175.90 3iwz h PRO 128 N 0.64 0.00 0.00 2.24 0.11 -1.88 -2.70 132.00 130.41 3iwz h PRO 128 Ca 0.53 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.64 3iwz h PRO 128 Cb 0.98 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.09 3iwz h PRO 128 CO -0.29 0.01 -0.75 -0.25 -0.21 0.00 0.00 178.00 176.50 3iwz n ASP 129 N -3.10 0.67 -0.21 -2.05 8.00 0.99 -4.35 116.55 116.51 3iwz n ASP 129 Ca 0.01 0.03 -0.05 0.00 0.71 0.00 0.00 54.79 55.49 3iwz n ASP 129 Cb 0.37 0.36 0.01 0.00 -0.02 0.00 0.00 41.12 41.84 3iwz n ASP 129 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3iwz h ALA 130 N 2.51 0.01 -0.80 2.24 0.00 -0.82 -0.34 119.26 122.06 3iwz h ALA 130 Ca 0.00 0.18 0.01 0.00 0.00 0.00 0.00 54.91 55.09 3iwz h ALA 130 Cb 0.74 0.76 -0.04 0.00 0.00 0.00 0.00 17.79 19.25 3iwz h ALA 130 CO 0.00 -0.65 0.53 -1.35 0.00 0.00 0.00 179.25 177.78 3iwz h PRO 131 N -0.14 1.06 -0.03 0.00 0.11 -1.77 -0.22 132.00 130.99 3iwz h PRO 131 Ca 0.24 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.28 3iwz h PRO 131 Cb 0.55 -0.24 -0.00 0.00 0.11 0.00 0.00 31.00 31.42 3iwz h PRO 131 CO -0.69 0.70 -0.01 0.00 -0.21 0.00 0.00 178.00 177.80 3iwz h ARG 132 N 1.09 0.06 -0.24 1.05 2.47 -1.37 -1.89 114.38 115.55 3iwz h ARG 132 Ca 0.30 -0.02 -0.06 0.00 -1.26 0.00 0.00 59.98 58.93 3iwz h ARG 132 Cb -0.12 -0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.19 3iwz h ARG 132 CO -0.06 0.41 -0.10 0.82 0.56 0.00 0.00 179.97 181.59 3iwz h ILE 133 N -0.29 1.30 -1.01 2.04 2.04 -1.08 -1.05 117.51 119.46 3iwz h ILE 133 Ca 0.01 -1.15 0.04 0.00 1.00 0.00 0.00 64.86 64.76 3iwz h ILE 133 Cb 0.38 1.54 -0.06 0.00 -0.74 0.00 0.00 36.82 37.94 3iwz h ILE 133 CO 0.00 0.36 0.66 -0.07 0.00 0.00 0.00 178.15 179.10 3iwz h LEU 134 N 0.22 1.09 -0.34 1.44 3.38 -1.08 -0.39 115.31 119.62 3iwz h LEU 134 Ca 0.06 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 3iwz h LEU 134 Cb 0.59 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 3iwz h LEU 134 CO 0.03 0.73 -0.17 0.22 0.09 0.00 0.00 178.44 179.34 3iwz h TYR 135 N 1.25 0.83 -0.44 1.13 3.20 -1.21 -1.15 116.97 120.58 3iwz h TYR 135 Ca 0.41 -0.21 -0.01 0.00 3.14 0.00 0.00 58.73 62.06 3iwz h TYR 135 Cb 0.04 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.10 3iwz h TYR 135 CO -0.00 0.93 0.23 0.00 -1.64 0.00 0.00 178.16 177.67 3iwz h ALA 136 N 0.78 0.57 -0.34 1.82 0.00 -0.65 0.65 119.26 122.09 3iwz h ALA 136 Ca 0.08 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 3iwz h ALA 136 Cb 0.71 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 3iwz h ALA 136 CO 0.05 0.11 -0.06 0.82 0.00 0.00 0.00 179.25 180.17 3iwz h ILE 137 N 0.58 1.22 -0.42 0.00 2.04 -1.06 -1.80 117.51 118.07 3iwz h ILE 137 Ca 0.15 -0.93 0.01 0.00 1.00 0.00 0.00 64.86 65.10 3iwz h ILE 137 Cb 0.08 1.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 3iwz h ILE 137 CO -0.02 0.31 0.26 1.23 0.00 0.00 0.00 178.15 179.93 3iwz h GLY 138 N 0.90 0.59 0.61 5.37 0.00 -0.28 0.26 103.07 110.52 3iwz h GLY 138 Ca 0.10 -0.20 0.04 0.00 0.00 0.00 0.00 47.33 47.27 3iwz h GLY 138 CO 0.02 0.19 -0.08 -2.08 0.00 0.00 0.00 176.54 174.59 3iwz h VAL 139 N 0.54 0.76 -0.21 4.60 2.07 -0.15 0.21 116.25 124.06 3iwz h VAL 139 Ca 0.16 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.68 3iwz h VAL 139 Cb -0.03 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 3iwz h VAL 139 CO -0.05 0.00 0.12 1.56 0.02 0.00 0.00 177.57 179.21 3iwz h GLN 140 N -0.07 0.30 -0.46 1.57 4.20 -0.95 -1.44 115.11 118.27 3iwz h GLN 140 Ca 0.08 -0.04 0.05 0.00 0.06 0.00 0.00 58.65 58.81 3iwz h GLN 140 Cb 0.19 -0.06 -0.05 0.00 0.30 0.00 0.00 27.48 27.87 3iwz h GLN 140 CO -0.19 0.28 0.20 -0.07 -0.67 0.00 0.00 178.83 178.38 3iwz h LEU 141 N 0.23 0.26 -0.48 1.46 3.38 -0.20 -1.56 115.31 118.40 3iwz h LEU 141 Ca 0.07 0.04 0.06 0.00 0.09 0.00 0.00 57.88 58.15 3iwz h LEU 141 Cb 0.07 -0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.76 3iwz h LEU 141 CO -0.01 0.18 0.17 0.28 0.09 0.00 0.00 178.44 179.15 3iwz h SER 142 N 0.40 0.17 -0.11 -0.43 0.02 -0.61 0.62 113.55 113.62 3iwz h SER 142 Ca 0.21 0.06 -0.00 0.00 -0.84 0.00 0.00 61.79 61.22 3iwz h SER 142 Cb 0.17 0.04 -0.00 0.00 0.14 0.00 0.00 62.40 62.74 3iwz h SER 142 CO -0.18 0.13 0.06 0.11 -1.14 0.00 0.00 176.83 175.81 3iwz h LYS 143 N 0.34 0.15 -0.93 3.45 1.79 -0.75 0.14 116.57 120.76 3iwz h LYS 143 Ca 0.23 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.69 3iwz h LYS 143 Cb 0.23 -0.03 -0.05 0.00 -1.58 0.00 0.00 32.23 30.81 3iwz h LYS 143 CO -0.23 0.17 0.60 0.00 -1.08 0.00 0.00 179.45 178.90 3iwz h ARG 144 N 0.08 1.24 -0.23 3.15 3.08 -0.98 0.24 114.38 120.96 3iwz h ARG 144 Ca 0.04 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 3iwz h ARG 144 Cb 0.06 -0.27 -0.01 0.00 0.08 0.00 0.00 29.97 29.83 3iwz h ARG 144 CO -0.01 0.83 0.10 1.25 -1.07 0.00 0.00 179.97 181.08 3iwz h LEU 145 N 1.27 0.32 -0.22 3.04 5.85 -0.47 0.25 115.31 125.35 3iwz h LEU 145 Ca 0.34 -0.15 0.02 0.00 0.84 0.00 0.00 57.88 58.93 3iwz h LEU 145 Cb -0.12 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 40.81 3iwz h LEU 145 CO -0.07 0.38 0.07 0.25 -0.34 0.00 0.00 178.44 178.73 3iwz h LEU 146 N 0.23 0.07 -0.95 2.25 5.85 -0.12 0.64 115.31 123.27 3iwz h LEU 146 Ca 0.08 0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.76 3iwz h LEU 146 Cb 0.16 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 3iwz h LEU 146 CO -0.01 0.07 0.04 0.44 -0.34 0.00 0.00 178.44 178.64 3iwz h ASP 147 N 0.17 0.77 0.46 1.25 3.32 -0.16 -1.92 116.42 120.31 3iwz h ASP 147 Ca 0.10 -0.17 -0.17 0.00 0.02 0.00 0.00 57.03 56.81 3iwz h ASP 147 Cb 0.07 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 3iwz h ASP 147 CO -0.11 0.81 -0.72 0.74 -1.72 0.00 0.00 179.24 178.25 3iwz h THR 148 N 0.76 1.43 0.16 0.35 2.02 -0.23 -0.79 112.91 116.61 3iwz h THR 148 Ca 0.16 -2.25 -0.01 0.00 0.77 0.00 0.00 66.41 65.08 3iwz h THR 148 Cb 0.40 2.20 0.00 0.00 -1.74 0.00 0.00 68.15 69.01 3iwz h THR 148 CO 0.01 0.66 -0.08 0.74 0.37 0.00 0.00 175.52 177.23 3iwz h THR 149 N 0.15 0.95 -0.48 3.16 2.02 -0.57 0.10 112.91 118.24 3iwz h THR 149 Ca -0.02 -0.48 0.03 0.00 0.77 0.00 0.00 66.41 66.71 3iwz h THR 149 Cb 1.27 1.24 -0.03 0.00 -1.74 0.00 0.00 68.15 68.90 3iwz h THR 149 CO 0.11 0.11 0.32 0.03 0.37 0.00 0.00 175.52 176.46 3iwz h ARG 150 N -0.44 0.53 -0.43 6.66 3.08 -1.32 -1.18 114.38 121.28 3iwz h ARG 150 Ca -0.02 -0.03 -0.08 0.00 0.07 0.00 0.00 59.98 59.92 3iwz h ARG 150 Cb 0.35 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 3iwz h ARG 150 CO 0.04 0.35 -0.03 -0.22 -1.07 0.00 0.00 179.97 179.03 3iwz h LYS 151 N 0.55 0.79 -0.79 0.04 3.64 -0.69 -2.26 116.57 117.85 3iwz h LYS 151 Ca 0.19 -0.27 0.02 0.00 -1.27 0.00 0.00 60.65 59.32 3iwz h LYS 151 Cb 0.09 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 31.81 3iwz h LYS 151 CO -0.05 0.87 0.52 0.00 -2.27 0.00 0.00 179.45 178.52 3iwz h ALA 152 N 0.89 1.01 -0.22 5.00 0.00 0.32 -1.63 119.26 124.63 3iwz h ALA 152 Ca 0.12 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3iwz h ALA 152 Cb 0.54 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3iwz h ALA 152 CO 0.03 0.38 0.15 0.77 0.00 0.00 0.00 179.25 180.57 3iwz h SER 153 N 1.04 0.26 -0.60 0.00 0.02 -1.01 0.15 113.55 113.39 3iwz h SER 153 Ca 0.30 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 61.21 3iwz h SER 153 Cb -0.07 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 62.37 3iwz h SER 153 CO -0.08 0.19 0.26 0.03 -1.14 0.00 0.00 176.83 176.08 3iwz h ARG 154 N 0.30 0.93 -0.00 3.45 3.08 -1.13 -1.09 114.38 119.91 3iwz h ARG 154 Ca 0.08 -0.15 -0.15 0.00 0.07 0.00 0.00 59.98 59.84 3iwz h ARG 154 Cb -0.03 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 29.83 3iwz h ARG 154 CO -0.02 0.75 -0.69 -0.07 -1.07 0.00 0.00 179.97 178.88 3iwz h LEU 155 N 0.91 0.02 -0.04 3.04 3.38 -1.03 -0.98 115.31 120.61 3iwz h LEU 155 Ca 0.22 -0.01 -0.18 0.00 0.09 0.00 0.00 57.88 57.99 3iwz h LEU 155 Cb 0.17 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 40.92 3iwz h LEU 155 CO -0.02 0.70 -0.69 0.00 0.09 0.00 0.00 178.44 178.52 3iwz h ALA 156 N 1.30 0.14 0.00 1.53 0.00 -0.45 -3.42 119.26 118.35 3iwz h ALA 156 Ca -0.01 -0.58 -0.22 0.00 0.00 0.00 0.00 54.91 54.10 3iwz h ALA 156 Cb 1.22 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.99 3iwz h ALA 156 CO 0.09 0.47 -1.79 1.19 0.00 0.00 0.00 179.25 179.21 3iwz n PHE 157 N -4.11 0.00 -2.49 0.00 3.72 -0.46 -5.02 117.46 109.09 3iwz n PHE 157 Ca -0.10 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 56.92 3iwz n PHE 157 Cb 0.71 -0.53 -0.04 0.00 -0.94 0.00 0.00 39.48 38.68 3iwz n PHE 157 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3iwz s LEU 158 N -6.09 4.28 0.71 4.37 1.43 -0.37 -5.04 118.68 117.97 3iwz s LEU 158 Ca -0.19 2.15 -0.11 0.00 -1.03 0.00 0.00 54.13 54.95 3iwz s LEU 158 Cb 0.06 -3.99 0.03 0.00 0.03 0.00 0.00 46.19 42.32 3iwz s LEU 158 CO 0.30 -0.40 1.08 1.51 0.23 0.00 0.00 176.35 179.07 3iwz s ASP 159 N -1.30 5.26 0.18 2.29 -4.77 -1.26 -4.66 116.67 112.42 3iwz s ASP 159 Ca 0.53 0.98 -0.21 0.00 -3.30 0.00 0.00 52.55 50.55 3iwz s ASP 159 Cb -0.26 -1.74 0.11 0.00 -1.09 0.00 0.00 42.92 39.94 3iwz s ASP 159 CO 0.33 -1.42 1.58 0.58 0.70 0.00 0.00 175.17 176.94 3iwz h VAL 160 N -0.67 0.15 0.19 2.11 2.07 -1.95 -1.29 116.25 116.86 3iwz h VAL 160 Ca -0.45 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.08 3iwz h VAL 160 Cb 1.27 0.15 -0.04 0.00 -1.52 0.00 0.00 31.29 31.16 3iwz h VAL 160 CO 0.64 0.00 -0.40 0.74 0.02 0.00 0.00 177.57 178.57 3iwz h THR 161 N -0.17 0.19 -0.97 2.57 2.02 -1.97 0.16 112.91 114.75 3iwz h THR 161 Ca 0.23 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.54 3iwz h THR 161 Cb 0.55 0.19 -0.08 0.00 -1.74 0.00 0.00 68.15 67.07 3iwz h THR 161 CO -0.68 0.00 0.61 0.44 0.37 0.00 0.00 175.52 176.26 3iwz h ASP 162 N -0.67 0.82 -0.15 4.18 3.32 -1.87 -1.58 116.42 120.46 3iwz h ASP 162 Ca 0.01 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 3iwz h ASP 162 Cb 0.67 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.11 3iwz h ASP 162 CO -0.19 0.41 0.04 0.03 -1.72 0.00 0.00 179.24 177.81 3iwz h ARG 163 N 0.86 0.24 -0.18 3.56 3.08 -0.24 -2.78 114.38 118.93 3iwz h ARG 163 Ca 0.49 -0.06 0.05 0.00 0.07 0.00 0.00 59.98 60.54 3iwz h ARG 163 Cb 0.63 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.64 3iwz h ARG 163 CO -0.26 0.39 0.13 0.82 -1.07 0.00 0.00 179.97 179.98 3iwz h ILE 164 N 0.06 0.87 0.22 2.04 2.04 0.26 -2.44 117.51 120.56 3iwz h ILE 164 Ca 0.05 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.90 3iwz h ILE 164 Cb 0.25 0.91 0.00 0.00 -0.74 0.00 0.00 36.82 37.24 3iwz h ILE 164 CO -0.00 0.00 -0.11 0.58 0.00 0.00 0.00 178.15 178.62 3iwz h VAL 165 N 0.00 0.78 -0.83 1.67 2.07 -1.16 -2.31 116.25 116.47 3iwz h VAL 165 Ca 0.08 -0.89 0.15 0.00 0.82 0.00 0.00 66.70 66.86 3iwz h VAL 165 Cb 0.34 1.23 -0.10 0.00 -1.52 0.00 0.00 31.29 31.25 3iwz h VAL 165 CO -0.00 0.17 0.41 0.03 0.02 0.00 0.00 177.57 178.20 3iwz h ARG 166 N -0.81 0.56 -0.15 1.57 2.47 -1.30 0.24 114.38 116.97 3iwz h ARG 166 Ca -0.03 -0.03 -0.09 0.00 -1.26 0.00 0.00 59.98 58.57 3iwz h ARG 166 Cb 0.51 -0.13 -0.01 0.00 -1.65 0.00 0.00 29.97 28.69 3iwz h ARG 166 CO 0.05 0.37 -0.31 1.15 0.56 0.00 0.00 179.97 181.80 3iwz h THR 167 N 0.58 1.27 0.00 2.04 2.02 -1.48 -2.77 112.91 114.57 3iwz h THR 167 Ca 0.46 -1.29 -0.07 0.00 0.77 0.00 0.00 66.41 66.28 3iwz h THR 167 Cb 0.66 1.49 -0.01 0.00 -1.74 0.00 0.00 68.15 68.56 3iwz h THR 167 CO -0.38 0.39 -0.33 -0.07 0.37 0.00 0.00 175.52 175.51 3iwz h LEU 168 N 0.26 0.00 0.00 2.58 3.38 -0.36 -2.90 115.31 118.26 3iwz h LEU 168 Ca 0.04 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.88 3iwz h LEU 168 Cb 0.68 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 3iwz h LEU 168 CO 0.05 0.33 -0.84 0.45 0.09 0.00 0.00 178.44 178.51 3iwz h HIS 169 N 0.00 0.00 -0.00 1.13 3.86 -1.22 -3.16 115.15 115.76 3iwz h HIS 169 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3iwz h HIS 169 Cb 0.65 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.12 3iwz h HIS 169 CO 0.00 0.53 -0.05 -0.25 0.86 0.00 0.00 177.93 179.01 3iwz n ASP 170 N -3.10 0.14 -0.25 2.45 9.92 -1.07 -2.68 116.55 121.96 3iwz n ASP 170 Ca -0.02 -0.12 0.08 0.00 -0.53 0.00 0.00 54.79 54.20 3iwz n ASP 170 Cb 0.77 -0.25 -0.03 0.00 -0.64 0.00 0.00 41.12 40.97 3iwz n ASP 170 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 3iwz n LEU 171 N -1.26 1.36 0.05 0.64 4.77 -1.14 -4.10 117.00 117.32 3iwz n LEU 171 Ca 0.12 -0.68 0.11 0.00 -0.03 0.00 0.00 56.01 55.54 3iwz n LEU 171 Cb 0.27 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.38 3iwz n LEU 171 CO 0.25 0.27 -0.02 -1.20 -1.33 0.00 0.00 177.39 175.36 3iwz n SER 172 N -0.53 0.63 -2.78 -1.43 7.64 -1.09 -4.37 113.62 111.69 3iwz n SER 172 Ca 0.06 0.01 -0.15 0.00 1.01 0.00 0.00 58.87 59.80 3iwz n SER 172 Cb 0.32 0.73 0.01 0.00 -1.01 0.00 0.00 64.21 64.25 3iwz n SER 172 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3iwz n LYS 173 N -2.22 1.58 -3.83 1.43 4.01 -1.21 -4.83 118.16 113.09 3iwz n LYS 173 Ca 0.01 -3.58 -0.23 0.00 -0.51 0.00 0.00 58.31 54.01 3iwz n LYS 173 Cb 0.48 -1.57 -0.05 0.00 -0.51 0.00 0.00 35.03 33.38 3iwz n LYS 173 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 3iwz s GLU 174 N -3.04 2.39 0.25 1.97 2.02 -1.26 -4.98 118.70 116.05 3iwz s GLU 174 Ca 0.35 -1.67 0.13 0.00 0.02 0.00 0.00 54.97 53.80 3iwz s GLU 174 Cb 0.41 -2.20 0.73 0.00 0.10 0.00 0.00 34.13 33.18 3iwz s GLU 174 CO -0.03 -0.15 1.35 -2.30 0.02 0.00 0.00 175.26 174.15 3iwz n PRO 175 N -1.40 0.09 0.00 0.39 -0.02 -1.26 -0.61 135.00 132.19 3iwz n PRO 175 Ca 0.01 0.56 0.05 0.00 -2.02 0.00 0.00 63.50 62.10 3iwz n PRO 175 Cb 0.63 -1.93 0.24 0.00 -0.02 0.00 0.00 33.50 32.42 3iwz n PRO 175 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3iwz n GLU 176 N -1.98 0.06 -1.30 -0.52 1.02 -1.26 -4.97 120.64 111.69 3iwz n GLU 176 Ca -0.01 0.27 0.17 0.00 -0.02 0.00 0.00 57.16 57.57 3iwz n GLU 176 Cb 0.16 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 30.03 3iwz n GLU 176 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3iwz n ALA 177 N -1.42 -3.58 0.00 0.62 0.00 0.22 -5.08 120.51 111.27 3iwz n ALA 177 Ca 0.04 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.94 3iwz n ALA 177 Cb 0.11 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.31 3iwz n ALA 177 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iwz n MET 178 N -3.89 -0.59 0.00 0.00 0.00 -1.26 -4.77 117.12 106.62 3iwz n MET 178 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 3iwz n MET 178 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.87 3iwz n MET 178 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 3iwz n SER 179 N 0.49 0.00 -3.03 3.17 2.88 -1.26 -4.95 113.62 110.92 3iwz n SER 179 Ca 0.00 0.00 -0.00 0.00 -1.33 0.00 0.00 58.87 57.54 3iwz n SER 179 Cb 0.00 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.46 3iwz n SER 179 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 3iwz n HIS 180 N 0.00 -0.27 0.00 0.66 -0.00 -1.26 -4.28 115.22 110.08 3iwz n HIS 180 Ca 0.00 0.15 0.00 0.00 -0.00 0.00 0.00 57.72 57.87 3iwz n HIS 180 Cb 0.00 -1.17 0.00 0.00 -0.00 0.00 0.00 29.99 28.82 3iwz n HIS 180 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.34 174.04 3iwz n PRO 181 N 2.48 0.00 0.06 1.57 -0.02 -1.26 -0.46 135.00 137.37 3iwz n PRO 181 Ca -0.02 0.28 0.11 0.00 -2.02 0.00 0.00 63.50 61.85 3iwz n PRO 181 Cb 0.04 -1.57 -0.05 0.00 -0.02 0.00 0.00 33.50 31.90 3iwz n PRO 181 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 3iwz n GLN 182 N -1.25 0.57 0.00 -0.52 -0.06 -1.26 -5.04 117.38 109.83 3iwz n GLN 182 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 3iwz n GLN 182 Cb 0.07 -1.70 0.00 0.00 -4.06 0.00 0.00 30.24 24.56 3iwz n GLN 182 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3iwz n GLY 183 N 1.23 -0.70 3.08 1.69 0.00 0.39 -4.78 105.19 106.10 3iwz n GLY 183 Ca -0.01 0.58 -0.11 0.00 0.00 0.00 0.00 46.02 46.49 3iwz n GLY 183 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3iwz s THR 184 N 0.00 0.08 -1.38 2.61 -4.23 -1.14 -4.52 115.64 107.06 3iwz s THR 184 Ca 0.00 -0.69 -0.16 0.00 -1.18 0.00 0.00 61.69 59.67 3iwz s THR 184 Cb 0.00 -0.39 0.06 0.00 1.34 0.00 0.00 72.50 73.51 3iwz s THR 184 CO 0.00 -0.38 2.00 1.67 -0.54 0.00 0.00 174.62 177.37 3iwz n GLN 185 N 1.58 3.02 -3.46 3.99 -0.06 -1.26 -4.01 117.38 117.18 3iwz n GLN 185 Ca -0.22 -2.93 -0.38 0.00 -2.00 0.00 0.00 57.00 51.47 3iwz n GLN 185 Cb 0.56 -3.37 -0.08 0.00 -4.06 0.00 0.00 30.24 23.29 3iwz n GLN 185 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 3iwz s LEU 186 N 2.99 4.15 -0.51 1.69 1.43 -0.65 -4.83 118.68 122.96 3iwz s LEU 186 Ca 0.50 0.42 0.03 0.00 -1.03 0.00 0.00 54.13 54.06 3iwz s LEU 186 Cb 0.09 -2.41 0.14 0.00 0.03 0.00 0.00 46.19 44.04 3iwz s LEU 186 CO -0.01 -0.03 0.27 -0.60 0.23 0.00 0.00 176.35 176.21 3iwz s ARG 187 N 1.19 1.76 -0.18 1.70 3.52 -1.26 0.20 118.95 125.88 3iwz s ARG 187 Ca 0.16 -2.46 -0.13 0.00 -0.13 0.00 0.00 55.73 53.17 3iwz s ARG 187 Cb -0.14 -2.95 0.05 0.00 -1.56 0.00 0.00 34.95 30.35 3iwz s ARG 187 CO 0.07 -1.15 0.45 0.14 -0.81 0.00 0.00 175.30 174.00 3iwz s VAL 188 N -0.16 -0.01 0.36 7.11 -7.23 -1.23 -4.95 120.40 114.29 3iwz s VAL 188 Ca 0.18 0.04 -0.12 0.00 -1.81 0.00 0.00 61.98 60.27 3iwz s VAL 188 Cb -0.23 -0.65 -0.08 0.00 0.56 0.00 0.00 36.38 35.98 3iwz s VAL 188 CO -0.02 0.02 0.74 -0.55 -0.31 0.00 0.00 175.10 174.98 3iwz s SER 189 N 0.87 6.64 0.45 4.85 0.15 -1.26 -4.31 113.70 121.09 3iwz s SER 189 Ca -0.05 1.19 0.27 0.00 0.70 0.00 0.00 55.95 58.06 3iwz s SER 189 Cb -0.06 -2.34 1.33 0.00 -1.71 0.00 0.00 66.02 63.24 3iwz s SER 189 CO -0.07 -0.29 1.73 0.03 1.20 0.00 0.00 173.24 175.84 3iwz h ARG 190 N 1.77 0.19 -0.14 5.44 -0.00 -1.93 0.67 114.38 120.39 3iwz h ARG 190 Ca -0.47 -0.01 -0.02 0.00 -0.50 0.00 0.00 59.98 58.97 3iwz h ARG 190 Cb 1.18 -0.04 -0.00 0.00 0.00 0.00 0.00 29.97 31.10 3iwz h ARG 190 CO 0.65 0.13 -0.00 0.37 0.00 0.00 0.00 179.97 181.11 3iwz h GLN 191 N 0.20 0.25 -0.39 0.04 5.75 -1.92 -1.63 115.11 117.42 3iwz h GLN 191 Ca 0.66 -0.08 -0.06 0.00 -0.15 0.00 0.00 58.65 59.02 3iwz h GLN 191 Cb 2.07 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 30.58 3iwz h GLN 191 CO -0.24 0.49 0.02 0.93 -2.65 0.00 0.00 178.83 177.38 3iwz h GLU 192 N -0.02 0.67 -0.91 1.69 4.39 -0.19 -1.81 114.58 118.41 3iwz h GLU 192 Ca 0.04 -0.20 0.11 0.00 0.34 0.00 0.00 59.36 59.64 3iwz h GLU 192 Cb 0.38 -0.07 -0.07 0.00 -0.10 0.00 0.00 28.75 28.90 3iwz h GLU 192 CO 0.01 0.76 0.59 1.25 -1.16 0.00 0.00 179.01 180.45 3iwz h LEU 193 N 0.50 0.81 -0.72 1.33 5.85 -0.65 -0.11 115.31 122.31 3iwz h LEU 193 Ca 0.11 0.03 -0.13 0.00 0.84 0.00 0.00 57.88 58.73 3iwz h LEU 193 Cb 0.44 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 3iwz h LEU 193 CO 0.02 0.46 -0.47 0.00 -0.34 0.00 0.00 178.44 178.10 3iwz h ALA 194 N 1.56 0.90 -0.04 1.25 0.00 -0.80 -2.56 119.26 119.57 3iwz h ALA 194 Ca 0.43 -0.47 -0.19 0.00 0.00 0.00 0.00 54.91 54.69 3iwz h ALA 194 Cb 0.47 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3iwz h ALA 194 CO -0.20 0.65 -0.80 0.00 0.00 0.00 0.00 179.25 178.91 3iwz h ARG 195 N 0.32 0.33 -0.01 0.00 3.08 -0.39 0.18 114.38 117.89 3iwz h ARG 195 Ca 0.02 -0.30 -0.00 0.00 0.07 0.00 0.00 59.98 59.76 3iwz h ARG 195 Cb 0.95 0.07 -0.00 0.00 0.08 0.00 0.00 29.97 31.08 3iwz h ARG 195 CO 0.08 0.97 -0.00 -0.07 -1.07 0.00 0.00 179.97 179.88 3iwz h LEU 196 N 0.21 0.02 -0.12 3.04 3.38 -0.98 0.28 115.31 121.14 3iwz h LEU 196 Ca -0.04 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.58 3iwz h LEU 196 Cb 1.39 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.14 3iwz h LEU 196 CO 0.13 0.37 -0.48 1.33 0.09 0.00 0.00 178.44 179.88 3iwz n VAL 197 N -4.91 0.00 -2.26 1.22 0.24 -0.97 -4.70 118.33 106.95 3iwz n VAL 197 Ca -0.08 -0.03 0.00 0.00 -2.04 0.00 0.00 64.34 62.19 3iwz n VAL 197 Cb 0.19 0.34 0.00 0.00 -1.47 0.00 0.00 33.84 32.90 3iwz n VAL 197 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3iwz n GLY 198 N 1.46 0.73 3.17 7.63 0.00 -0.59 -4.97 105.19 112.63 3iwz n GLY 198 Ca 0.07 -0.59 -0.22 0.00 0.00 0.00 0.00 46.02 45.29 3iwz n GLY 198 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iwz s SER 200 N -3.34 6.26 0.09 0.00 1.04 -1.26 -4.39 113.70 112.10 3iwz s SER 200 Ca 0.30 1.19 -0.25 0.00 0.48 0.00 0.00 55.95 57.67 3iwz s SER 200 Cb 0.01 -2.36 -0.16 0.00 0.10 0.00 0.00 66.02 63.61 3iwz s SER 200 CO 0.21 -0.71 1.71 -0.09 0.98 0.00 0.00 173.24 175.34 3iwz h ARG 201 N 0.01 -0.15 -0.89 4.02 2.43 -1.92 -1.26 114.38 116.63 3iwz h ARG 201 Ca -0.46 0.01 0.08 0.00 -0.81 0.00 0.00 59.98 58.80 3iwz h ARG 201 Cb 1.20 0.03 -0.07 0.00 -0.42 0.00 0.00 29.97 30.71 3iwz h ARG 201 CO 0.62 -0.09 0.55 1.49 -1.51 0.00 0.00 179.97 181.02 3iwz h GLU 202 N -0.16 0.93 -0.75 0.20 4.81 -1.94 0.54 114.58 118.21 3iwz h GLU 202 Ca -0.02 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.12 3iwz h GLU 202 Cb 0.12 -0.21 -0.03 0.00 0.63 0.00 0.00 28.75 29.26 3iwz h GLU 202 CO 0.03 0.62 0.30 1.98 -0.73 0.00 0.00 179.01 181.20 3iwz h MET 203 N 0.96 1.11 -0.47 1.92 4.05 -1.87 0.53 114.93 121.16 3iwz h MET 203 Ca 0.41 -0.19 -0.07 0.00 -0.28 0.00 0.00 59.70 59.56 3iwz h MET 203 Cb 0.27 -0.18 -0.02 0.00 -0.80 0.00 0.00 31.60 30.87 3iwz h MET 203 CO -0.21 0.90 0.01 0.00 0.23 0.00 0.00 176.91 177.85 3iwz h ALA 204 N 1.24 0.63 -0.30 0.39 0.00 0.02 -1.21 119.26 120.03 3iwz h ALA 204 Ca 0.25 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 3iwz h ALA 204 Cb 0.20 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3iwz h ALA 204 CO -0.02 0.42 -0.16 0.78 0.00 0.00 0.00 179.25 180.27 3iwz h GLY 205 N 0.68 0.58 0.70 0.00 0.00 -0.29 -0.11 103.07 104.64 3iwz h GLY 205 Ca 0.14 -0.43 -0.01 0.00 0.00 0.00 0.00 47.33 47.02 3iwz h GLY 205 CO 0.02 0.40 -0.07 -0.09 0.00 0.00 0.00 176.54 176.80 3iwz h ARG 206 N 0.49 -0.20 -0.59 4.80 2.43 0.30 -2.15 114.38 119.46 3iwz h ARG 206 Ca 0.08 0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.30 3iwz h ARG 206 Cb 0.57 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.12 3iwz h ARG 206 CO 0.04 0.11 0.35 0.28 -1.51 0.00 0.00 179.97 179.23 3iwz h VAL 207 N -0.51 1.03 -0.10 0.20 2.07 -1.13 0.14 116.25 117.95 3iwz h VAL 207 Ca -0.02 -0.23 0.03 0.00 0.82 0.00 0.00 66.70 67.30 3iwz h VAL 207 Cb 0.39 0.30 -0.00 0.00 -1.52 0.00 0.00 31.29 30.46 3iwz h VAL 207 CO 0.03 0.12 0.08 -0.07 0.02 0.00 0.00 177.57 177.76 3iwz h LEU 208 N 0.67 0.00 0.00 2.57 3.38 -0.95 0.64 115.31 121.62 3iwz h LEU 208 Ca 0.25 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.20 3iwz h LEU 208 Cb 0.08 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 3iwz h LEU 208 CO -0.13 0.00 -0.84 0.50 0.09 0.00 0.00 178.44 178.06 3iwz h LYS 209 N 0.00 0.00 0.00 1.13 3.64 -0.28 0.42 116.57 121.48 3iwz h LYS 209 Ca 0.05 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 3iwz h LYS 209 Cb 0.20 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 3iwz h LYS 209 CO -0.00 0.04 -0.40 -0.22 -2.27 0.00 0.00 179.45 176.61 3iwz h LYS 210 N 0.00 0.00 0.00 1.90 3.64 0.84 -2.45 116.57 120.50 3iwz h LYS 210 Ca -0.02 0.00 -0.34 0.00 -1.27 0.00 0.00 60.65 59.03 3iwz h LYS 210 Cb 1.07 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.82 3iwz h LYS 210 CO 0.01 0.00 -2.27 1.28 -2.27 0.00 0.00 179.45 176.19 3iwz n LEU 211 N -2.51 0.93 0.11 5.20 4.77 0.05 -4.22 117.00 121.33 3iwz n LEU 211 Ca 0.03 -0.04 0.02 0.00 -0.03 0.00 0.00 56.01 55.99 3iwz n LEU 211 Cb 0.48 0.06 0.36 0.00 -2.33 0.00 0.00 43.42 41.99 3iwz n LEU 211 CO 0.35 0.59 0.85 -0.61 -1.33 0.00 0.00 177.39 177.24 3iwz h GLN 212 N 0.00 0.25 -0.97 3.23 5.75 -0.21 -0.21 115.11 122.95 3iwz h GLN 212 Ca -0.50 -0.07 -0.02 0.00 -0.15 0.00 0.00 58.65 57.91 3iwz h GLN 212 Cb 2.03 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 30.53 3iwz h GLN 212 CO -0.01 0.42 0.03 0.00 -2.65 0.00 0.00 178.83 176.63 3iwz n ALA 213 N -2.49 2.76 -0.65 3.38 0.00 -0.92 -2.16 120.51 120.42 3iwz n ALA 213 Ca -0.01 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.14 3iwz n ALA 213 Cb 0.30 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.72 3iwz n ALA 213 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3iwz n ASP 214 N 0.16 0.40 -3.57 0.00 10.43 -0.10 -5.01 116.55 118.86 3iwz n ASP 214 Ca 0.05 -1.06 -0.26 0.00 2.57 0.00 0.00 54.79 56.10 3iwz n ASP 214 Cb 0.47 0.00 0.05 0.00 1.84 0.00 0.00 41.12 43.48 3iwz n ASP 214 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3iwz n GLY 215 N -0.03 -0.53 0.06 0.44 0.00 -0.92 -4.88 105.19 99.34 3iwz n GLY 215 Ca 0.00 0.20 -0.04 0.00 0.00 0.00 0.00 46.02 46.19 3iwz n GLY 215 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3iwz n LEU 216 N -4.64 0.00 0.00 0.99 4.77 -1.19 -5.04 117.00 111.89 3iwz n LEU 216 Ca -0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3iwz n LEU 216 Cb 0.56 0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.95 3iwz n LEU 216 CO 0.64 0.31 0.00 0.00 -1.33 0.00 0.00 177.39 177.01 3iwz n LEU 217 N -2.49 0.00 -3.59 2.23 -0.00 -1.26 -3.31 117.00 108.58 3iwz n LEU 217 Ca -0.21 0.00 -0.00 0.00 -0.00 0.00 0.00 56.01 55.80 3iwz n LEU 217 Cb 0.90 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 44.28 3iwz n LEU 217 CO 0.37 0.00 0.25 -2.28 -0.00 0.00 0.00 177.39 175.72 3iwz s HIS 218 N -1.01 -1.38 -0.81 1.47 2.46 -1.18 -4.88 115.29 109.97 3iwz s HIS 218 Ca 0.00 2.26 -0.26 0.00 0.47 0.00 0.00 55.06 57.53 3iwz s HIS 218 Cb 0.00 0.78 0.03 0.00 -0.13 0.00 0.00 32.58 33.26 3iwz s HIS 218 CO 0.00 -0.70 1.35 0.00 -2.47 0.00 0.00 174.74 172.93 3iwz s ALA 219 N 2.89 2.70 -0.88 1.58 0.00 -1.26 -3.56 121.76 123.23 3iwz s ALA 219 Ca -0.03 -1.56 0.01 0.00 0.00 0.00 0.00 51.96 50.38 3iwz s ALA 219 Cb -0.12 -4.33 0.32 0.00 0.00 0.00 0.00 23.12 18.99 3iwz s ALA 219 CO -0.19 -3.42 1.53 -2.13 0.00 0.00 0.00 175.76 171.55 3iwz n ARG 220 N 9.25 4.69 0.00 0.00 3.00 -1.19 -5.05 116.66 127.36 3iwz n ARG 220 Ca 0.12 -4.73 0.00 0.00 -0.00 0.00 0.00 57.85 53.24 3iwz n ARG 220 Cb 0.50 -2.40 0.00 0.00 0.00 0.00 0.00 32.46 30.56 3iwz n ARG 220 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3iwz n GLY 221 N -0.07 0.07 0.83 5.14 0.00 -1.26 -2.77 105.19 107.13 3iwz n GLY 221 Ca 0.41 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 45.46 3iwz n GLY 221 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3iwz n LYS 222 N 0.00 0.45 -4.19 1.61 4.76 -1.26 -4.59 118.16 114.93 3iwz n LYS 222 Ca 0.00 0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.32 3iwz n LYS 222 Cb 0.00 -1.26 -0.10 0.00 -1.84 0.00 0.00 35.03 31.83 3iwz n LYS 222 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 3iwz s THR 223 N 0.02 0.82 0.05 -0.18 -4.23 -1.11 -3.47 115.64 107.54 3iwz s THR 223 Ca 0.00 -1.93 0.04 0.00 -1.18 0.00 0.00 61.69 58.62 3iwz s THR 223 Cb 0.00 -1.68 -0.03 0.00 1.34 0.00 0.00 72.50 72.14 3iwz s THR 223 CO 0.00 -0.81 -0.12 -0.69 -0.54 0.00 0.00 174.62 172.46 3iwz s VAL 224 N -3.43 0.94 -0.26 2.29 1.01 0.54 -3.15 120.40 118.35 3iwz s VAL 224 Ca 0.12 -1.14 -0.00 0.00 0.00 0.00 0.00 61.98 60.96 3iwz s VAL 224 Cb 0.04 -0.91 0.07 0.00 0.00 0.00 0.00 36.38 35.58 3iwz s VAL 224 CO -0.03 -0.20 0.01 0.54 0.00 0.00 0.00 175.10 175.42 3iwz s VAL 225 N -1.16 1.24 0.28 2.92 0.11 -1.23 -1.63 120.40 120.92 3iwz s VAL 225 Ca -0.03 -1.25 -0.15 0.00 -2.93 0.00 0.00 61.98 57.62 3iwz s VAL 225 Cb -0.09 -1.70 -0.08 0.00 -1.53 0.00 0.00 36.38 32.97 3iwz s VAL 225 CO 0.01 -0.33 0.69 -0.22 -3.33 0.00 0.00 175.10 171.93 3iwz s LEU 226 N 1.49 4.14 -0.33 2.54 2.96 -1.26 -3.07 118.68 125.15 3iwz s LEU 226 Ca 0.01 1.23 -0.28 0.00 -0.22 0.00 0.00 54.13 54.87 3iwz s LEU 226 Cb -0.18 -3.89 0.02 0.00 0.50 0.00 0.00 46.19 42.64 3iwz s LEU 226 CO -0.12 -0.13 1.02 -0.31 -1.32 0.00 0.00 176.35 175.49 3iwz s TYR 227 N -1.85 3.13 0.00 5.38 1.51 -1.21 -2.88 117.35 121.43 3iwz s TYR 227 Ca 0.50 1.06 0.00 0.00 -1.01 0.00 0.00 57.07 57.62 3iwz s TYR 227 Cb -0.12 -3.66 0.00 0.00 -0.11 0.00 0.00 41.96 38.08 3iwz s TYR 227 CO 0.19 -0.77 0.00 0.41 -1.11 0.00 0.00 175.55 174.26 3iwz n GLY 228 N 4.04 0.15 0.00 0.71 0.00 -1.26 -5.04 105.19 103.79 3iwz n GLY 228 Ca 0.10 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.79 3iwz n GLY 228 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73