#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iwp s PHE 26 N 0.00 3.19 -0.33 1.61 0.40 -1.26 -5.06 117.98 116.52 3iwp s PHE 26 Ca 0.00 0.17 -0.18 0.00 -0.60 0.00 0.00 56.93 56.32 3iwp s PHE 26 Cb 0.00 -1.73 -0.01 0.00 0.51 0.00 0.00 43.02 41.79 3iwp s PHE 26 CO 0.00 0.50 0.52 -1.17 0.70 0.00 0.00 175.22 175.77 3iwp s LEU 27 N -1.42 4.27 -0.04 -0.37 0.20 -1.03 -4.98 118.68 115.31 3iwp s LEU 27 Ca 0.19 0.10 -0.04 0.00 0.69 0.00 0.00 54.13 55.06 3iwp s LEU 27 Cb -0.12 -2.61 -0.04 0.00 -0.43 0.00 0.00 46.19 42.99 3iwp s LEU 27 CO 0.09 -0.45 0.17 -0.32 -0.29 0.00 0.00 176.35 175.56 3iwp s MET 28 N 2.40 3.44 0.02 1.98 -2.45 -1.26 -2.72 119.30 120.71 3iwp s MET 28 Ca 0.19 -0.26 0.04 0.00 -1.25 0.00 0.00 55.69 54.42 3iwp s MET 28 Cb -0.15 -3.13 -0.02 0.00 1.25 0.00 0.00 34.83 32.78 3iwp s MET 28 CO 0.13 0.71 -0.12 -2.00 1.05 0.00 0.00 175.02 174.79 3iwp s GLU 29 N -1.64 0.83 -0.04 4.11 2.12 -1.05 -2.01 118.70 121.02 3iwp s GLU 29 Ca 0.23 -0.62 -0.01 0.00 0.36 0.00 0.00 54.97 54.94 3iwp s GLU 29 Cb -0.12 -0.80 0.03 0.00 0.26 0.00 0.00 34.13 33.49 3iwp s GLU 29 CO 0.14 0.20 0.02 0.08 -0.54 0.00 0.00 175.26 175.16 3iwp s VAL 30 N -0.70 0.12 0.15 3.70 1.01 -0.93 -1.82 120.40 121.92 3iwp s VAL 30 Ca 0.01 0.20 -0.31 0.00 0.00 0.00 0.00 61.98 61.88 3iwp s VAL 30 Cb -0.07 -0.28 -0.08 0.00 0.00 0.00 0.00 36.38 35.96 3iwp s VAL 30 CO 0.01 0.17 1.31 0.00 0.00 0.00 0.00 175.10 176.59 3iwp s VAL 32 N 0.59 1.23 -0.17 0.00 1.01 0.92 -4.88 120.40 119.10 3iwp s VAL 32 Ca 0.59 -0.62 0.10 0.00 0.00 0.00 0.00 61.98 62.05 3iwp s VAL 32 Cb -0.35 -1.05 -0.17 0.00 0.00 0.00 0.00 36.38 34.81 3iwp s VAL 32 CO 0.34 0.36 -0.02 -0.90 0.00 0.00 0.00 175.10 174.87 3iwp n ASP 33 N 3.05 1.59 -3.90 3.32 5.68 -1.26 -1.85 116.55 123.17 3iwp n ASP 33 Ca -0.17 -0.04 -0.25 0.00 -0.50 0.00 0.00 54.79 53.83 3iwp n ASP 33 Cb 0.54 0.48 -0.06 0.00 -1.14 0.00 0.00 41.12 40.93 3iwp n ASP 33 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 3iwp n SER 34 N -2.75 1.88 -0.03 -1.12 3.41 -1.26 -4.83 113.62 108.92 3iwp n SER 34 Ca -0.29 -2.99 -0.14 0.00 -0.26 0.00 0.00 58.87 55.20 3iwp n SER 34 Cb 0.96 0.74 -0.11 0.00 -0.26 0.00 0.00 64.21 65.54 3iwp n SER 34 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 3iwp h VAL 35 N 1.49 1.52 -0.95 -3.33 2.07 -1.96 -3.08 116.25 112.01 3iwp h VAL 35 Ca -0.32 -1.63 0.22 0.00 0.82 0.00 0.00 66.70 65.79 3iwp h VAL 35 Cb 1.12 2.57 -0.07 0.00 -1.52 0.00 0.00 31.29 33.39 3iwp h VAL 35 CO 0.51 0.43 0.62 -0.33 0.02 0.00 0.00 177.57 178.83 3iwp h GLU 36 N -0.57 0.41 0.00 1.57 3.07 -1.99 -0.10 114.58 116.96 3iwp h GLU 36 Ca -0.01 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 3iwp h GLU 36 Cb 0.75 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 28.56 3iwp h GLU 36 CO 0.01 0.27 0.00 0.45 -1.40 0.00 0.00 179.01 178.34 3iwp n SER 37 N -4.54 0.70 -0.04 1.42 2.88 -1.22 -1.54 113.62 111.29 3iwp n SER 37 Ca 0.21 0.57 -0.21 0.00 -1.33 0.00 0.00 58.87 58.11 3iwp n SER 37 Cb 0.74 -0.76 -0.13 0.00 -0.75 0.00 0.00 64.21 63.31 3iwp n SER 37 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3iwp n ALA 38 N -1.75 1.04 0.42 -1.46 0.00 -0.15 -3.39 120.51 115.22 3iwp n ALA 38 Ca 0.06 -0.74 -0.18 0.00 0.00 0.00 0.00 53.44 52.58 3iwp n ALA 38 Cb 0.41 -0.49 -0.09 0.00 0.00 0.00 0.00 19.45 19.28 3iwp n ALA 38 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3iwp h VAL 39 N -0.04 0.10 -0.89 0.00 2.07 -1.32 -0.79 116.25 115.39 3iwp h VAL 39 Ca -0.47 -0.16 0.24 0.00 0.82 0.00 0.00 66.70 67.13 3iwp h VAL 39 Cb 1.95 0.12 -0.05 0.00 -1.52 0.00 0.00 31.29 31.79 3iwp h VAL 39 CO 0.01 0.01 0.62 0.78 0.02 0.00 0.00 177.57 179.01 3iwp h ASN 40 N -1.21 0.13 0.11 0.57 2.35 -1.50 0.34 115.58 116.37 3iwp h ASN 40 Ca -0.11 0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.65 3iwp h ASN 40 Cb 0.83 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 39.20 3iwp h ASN 40 CO 0.18 0.04 -0.05 0.00 -1.65 0.00 0.00 177.43 175.95 3iwp h ALA 41 N 1.58 -0.15 -0.48 -0.83 0.00 -1.52 -1.74 119.26 116.11 3iwp h ALA 41 Ca 0.44 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 3iwp h ALA 41 Cb 1.54 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.37 3iwp h ALA 41 CO -0.06 -0.28 0.27 1.49 0.00 0.00 0.00 179.25 180.67 3iwp h GLU 42 N -0.77 0.67 -0.05 0.00 4.81 -0.53 -0.96 114.58 117.75 3iwp h GLU 42 Ca -0.02 -0.07 -0.04 0.00 -0.13 0.00 0.00 59.36 59.10 3iwp h GLU 42 Cb 0.55 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 3iwp h GLU 42 CO 0.03 0.52 -0.16 -0.09 -0.73 0.00 0.00 179.01 178.57 3iwp h ARG 43 N 0.64 0.08 0.00 1.92 2.43 -0.44 0.54 114.38 119.55 3iwp h ARG 43 Ca 0.17 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.29 3iwp h ARG 43 Cb 0.04 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.57 3iwp h ARG 43 CO -0.03 0.25 -0.17 0.78 -1.51 0.00 0.00 179.97 179.29 3iwp h GLY 44 N 0.62 0.00 0.00 2.80 0.00 -0.94 -3.47 103.07 102.08 3iwp h GLY 44 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 3iwp h GLY 44 CO 0.02 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.17 3iwp n GLY 45 N 0.28 1.70 3.77 4.60 0.00 0.18 -3.95 105.19 111.78 3iwp n GLY 45 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3iwp n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iwp s ALA 46 N -2.00 2.63 -0.60 4.61 0.00 -0.42 -4.92 121.76 121.07 3iwp s ALA 46 Ca 0.00 0.74 0.18 0.00 0.00 0.00 0.00 51.96 52.89 3iwp s ALA 46 Cb 0.00 -3.35 -0.23 0.00 0.00 0.00 0.00 23.12 19.55 3iwp s ALA 46 CO 0.00 -0.91 0.66 -0.25 0.00 0.00 0.00 175.76 175.26 3iwp n ASP 47 N -1.61 0.81 -3.65 0.00 10.43 -0.85 -4.76 116.55 116.91 3iwp n ASP 47 Ca 0.11 -0.63 -0.09 0.00 2.57 0.00 0.00 54.79 56.75 3iwp n ASP 47 Cb 0.51 1.27 -0.08 0.00 1.84 0.00 0.00 41.12 44.67 3iwp n ASP 47 CO 0.00 0.00 0.00 -0.60 -1.07 0.00 0.00 177.20 175.53 3iwp s ARG 48 N -2.91 0.66 -0.22 -1.24 3.52 -0.97 -4.38 118.95 113.42 3iwp s ARG 48 Ca 0.03 1.09 -0.06 0.00 -0.13 0.00 0.00 55.73 56.65 3iwp s ARG 48 Cb 0.13 0.15 -0.03 0.00 -1.56 0.00 0.00 34.95 33.65 3iwp s ARG 48 CO 0.76 -0.14 0.04 0.42 -0.81 0.00 0.00 175.30 175.57 3iwp s ILE 49 N 1.36 4.26 -0.18 4.11 -1.09 -0.55 -2.19 121.20 126.91 3iwp s ILE 49 Ca -0.08 -0.20 -0.07 0.00 -2.23 0.00 0.00 60.65 58.07 3iwp s ILE 49 Cb -0.06 -2.95 -0.04 0.00 -1.58 0.00 0.00 42.46 37.83 3iwp s ILE 49 CO -0.15 0.40 0.05 -0.70 -1.23 0.00 0.00 174.94 173.31 3iwp s GLU 50 N 1.15 3.93 -0.46 2.79 2.12 -0.76 -0.33 118.70 127.14 3iwp s GLU 50 Ca 0.04 -0.37 -0.18 0.00 0.36 0.00 0.00 54.97 54.82 3iwp s GLU 50 Cb -0.14 -3.18 0.04 0.00 0.26 0.00 0.00 34.13 31.11 3iwp s GLU 50 CO 0.03 0.26 0.53 -0.51 -0.54 0.00 0.00 175.26 175.02 3iwp s LEU 51 N 0.40 4.95 -0.50 2.70 1.43 0.40 -0.05 118.68 128.02 3iwp s LEU 51 Ca 0.02 -0.81 0.06 0.00 -1.03 0.00 0.00 54.13 52.37 3iwp s LEU 51 Cb -0.13 -2.43 0.21 0.00 0.03 0.00 0.00 46.19 43.87 3iwp s LEU 51 CO 0.01 -0.74 0.49 0.00 0.23 0.00 0.00 176.35 176.34 3iwp s SER 53 N -1.02 5.56 -0.56 0.00 1.04 -0.94 -3.96 113.70 113.82 3iwp s SER 53 Ca 0.33 2.22 -0.02 0.00 0.48 0.00 0.00 55.95 58.96 3iwp s SER 53 Cb 0.08 -2.58 -0.02 0.00 0.10 0.00 0.00 66.02 63.60 3iwp s SER 53 CO -0.14 -1.33 0.48 0.61 0.98 0.00 0.00 173.24 173.85 3iwp n GLY 54 N 0.20 -0.08 0.32 7.32 0.00 -1.26 0.15 105.19 111.85 3iwp n GLY 54 Ca 0.12 0.03 -0.01 0.00 0.00 0.00 0.00 46.02 46.16 3iwp n GLY 54 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3iwp h LEU 55 N -0.71 0.79 -0.95 0.99 3.38 -1.90 -3.05 115.31 113.85 3iwp h LEU 55 Ca -0.31 -0.08 0.16 0.00 0.09 0.00 0.00 57.88 57.74 3iwp h LEU 55 Cb 1.16 -0.20 -0.16 0.00 0.09 0.00 0.00 40.66 41.55 3iwp h LEU 55 CO 0.24 0.67 -0.34 -1.20 0.09 0.00 0.00 178.44 177.90 3iwp n SER 56 N -4.35 -0.54 -0.60 -0.43 7.64 -1.26 -0.25 113.62 113.82 3iwp n SER 56 Ca 0.06 1.66 0.04 0.00 1.01 0.00 0.00 58.87 61.64 3iwp n SER 56 Cb 0.13 -0.41 0.13 0.00 -1.01 0.00 0.00 64.21 63.05 3iwp n SER 56 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3iwp n GLU 57 N -5.45 1.78 -1.48 1.43 1.02 -1.16 -4.93 120.64 111.86 3iwp n GLU 57 Ca 0.11 -1.07 -0.00 0.00 -0.02 0.00 0.00 57.16 56.18 3iwp n GLU 57 Cb 0.41 -1.30 -0.00 0.00 -0.02 0.00 0.00 31.44 30.53 3iwp n GLU 57 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3iwp n GLY 58 N 0.87 -3.20 0.00 0.62 0.00 0.65 -4.40 105.19 99.73 3iwp n GLY 58 Ca 0.10 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.87 3iwp n GLY 58 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iwp n GLY 59 N 0.21 0.00 3.74 -0.02 0.00 -1.21 -4.81 105.19 103.09 3iwp n GLY 59 Ca -0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 3iwp n GLY 59 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3iwp s THR 60 N 0.00 1.67 -0.01 2.61 -4.23 0.40 -4.71 115.64 111.37 3iwp s THR 60 Ca 0.00 -1.87 -0.35 0.00 -1.18 0.00 0.00 61.69 58.29 3iwp s THR 60 Cb 0.00 -2.54 -0.13 0.00 1.34 0.00 0.00 72.50 71.17 3iwp s THR 60 CO 0.00 0.00 1.75 0.41 -0.54 0.00 0.00 174.62 176.24 3iwp n THR 61 N -1.25 0.35 -1.27 3.99 -1.04 0.55 -2.21 114.28 113.40 3iwp n THR 61 Ca -0.10 -0.06 -0.30 0.00 -2.04 0.00 0.00 64.05 61.55 3iwp n THR 61 Cb 0.66 -1.68 0.13 0.00 -1.82 0.00 0.00 70.33 67.62 3iwp n THR 61 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 3iwp s PRO 62 N 2.87 1.33 0.32 -2.82 0.04 -1.26 -4.67 135.00 130.81 3iwp s PRO 62 Ca 0.88 0.75 -0.21 0.00 0.04 0.00 0.00 61.00 62.47 3iwp s PRO 62 Cb -0.72 -1.82 -0.09 0.00 0.04 0.00 0.00 34.50 31.90 3iwp s PRO 62 CO 0.48 -2.18 0.84 -1.54 0.04 0.00 0.00 177.00 174.64 3iwp s SER 63 N -3.52 7.04 0.44 6.66 1.04 -1.26 -4.97 113.70 119.14 3iwp s SER 63 Ca 0.63 1.57 0.17 0.00 0.48 0.00 0.00 55.95 58.80 3iwp s SER 63 Cb -0.17 -2.48 1.02 0.00 0.10 0.00 0.00 66.02 64.49 3iwp s SER 63 CO 0.56 -0.14 1.95 0.24 0.98 0.00 0.00 173.24 176.84 3iwp h MET 64 N 2.74 0.00 -0.99 4.02 0.00 -1.97 -2.52 114.93 116.21 3iwp h MET 64 Ca -0.48 0.00 0.13 0.00 0.00 0.00 0.00 59.70 59.35 3iwp h MET 64 Cb 1.19 0.00 -0.09 0.00 0.00 0.00 0.00 31.60 32.70 3iwp h MET 64 CO 0.64 0.23 0.62 0.78 0.00 0.00 0.00 176.91 179.18 3iwp h GLY 65 N 0.85 1.65 0.79 8.32 0.00 -2.00 -0.62 103.07 112.06 3iwp h GLY 65 Ca -0.00 -0.41 -0.03 0.00 0.00 0.00 0.00 47.33 46.89 3iwp h GLY 65 CO 0.03 0.12 -0.02 -2.08 0.00 0.00 0.00 176.54 174.59 3iwp h VAL 66 N 0.95 1.27 -0.20 4.60 2.07 -1.86 -2.92 116.25 120.17 3iwp h VAL 66 Ca 0.50 -0.94 0.05 0.00 0.82 0.00 0.00 66.70 67.14 3iwp h VAL 66 Cb 0.54 1.55 -0.07 0.00 -1.52 0.00 0.00 31.29 31.79 3iwp h VAL 66 CO -0.28 0.28 -0.35 0.25 0.02 0.00 0.00 177.57 177.48 3iwp h LEU 67 N 0.04 -1.12 0.15 2.57 6.46 -1.25 0.14 115.31 122.30 3iwp h LEU 67 Ca 0.05 0.17 0.02 0.00 -0.12 0.00 0.00 57.88 57.99 3iwp h LEU 67 Cb 0.44 0.48 -0.04 0.00 -0.73 0.00 0.00 40.66 40.81 3iwp h LEU 67 CO 0.01 -0.37 -0.35 1.56 -0.62 0.00 0.00 178.44 178.67 3iwp h GLN 68 N -0.39 -0.58 0.00 1.25 4.20 -1.19 0.43 115.11 118.84 3iwp h GLN 68 Ca 0.11 0.04 -0.06 0.00 0.06 0.00 0.00 58.65 58.80 3iwp h GLN 68 Cb 0.57 0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.47 3iwp h GLN 68 CO -0.41 -0.38 -0.27 0.28 -0.67 0.00 0.00 178.83 177.37 3iwp h VAL 69 N -0.60 0.97 0.04 -0.54 2.07 -1.30 -1.65 116.25 115.24 3iwp h VAL 69 Ca 0.02 -0.99 -0.00 0.00 0.82 0.00 0.00 66.70 66.55 3iwp h VAL 69 Cb 0.62 1.57 0.00 0.00 -1.52 0.00 0.00 31.29 31.96 3iwp h VAL 69 CO -0.19 0.26 -0.02 0.58 0.02 0.00 0.00 177.57 178.22 3iwp h VAL 70 N 0.00 1.32 -0.34 2.57 2.07 -0.16 -3.18 116.25 118.53 3iwp h VAL 70 Ca -0.00 -1.34 0.10 0.00 0.82 0.00 0.00 66.70 66.27 3iwp h VAL 70 Cb 0.55 2.19 -0.01 0.00 -1.52 0.00 0.00 31.29 32.49 3iwp h VAL 70 CO 0.03 0.33 0.35 0.11 0.02 0.00 0.00 177.57 178.42 3iwp h LYS 71 N -0.67 0.00 -0.00 1.57 1.79 0.16 0.37 116.57 119.79 3iwp h LYS 71 Ca -0.01 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 3iwp h LYS 71 Cb 0.59 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.24 3iwp h LYS 71 CO 0.01 0.00 -0.01 1.04 -1.08 0.00 0.00 179.45 179.41 3iwp n GLN 72 N -3.81 1.04 0.00 3.15 6.02 -0.65 -4.14 117.38 119.00 3iwp n GLN 72 Ca 0.05 -0.18 0.00 0.00 -0.01 0.00 0.00 57.00 56.86 3iwp n GLN 72 Cb 0.51 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.28 3iwp n GLN 72 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 3iwp n SER 73 N -0.82 0.11 -3.97 1.08 3.41 0.12 -5.06 113.62 108.50 3iwp n SER 73 Ca 0.22 -0.43 -0.18 0.00 -0.26 0.00 0.00 58.87 58.22 3iwp n SER 73 Cb 0.18 0.27 -0.15 0.00 -0.26 0.00 0.00 64.21 64.25 3iwp n SER 73 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 3iwp s VAL 74 N -0.27 0.55 -0.61 -3.33 -7.23 -0.49 -4.83 120.40 104.18 3iwp s VAL 74 Ca 0.00 -0.26 0.23 0.00 -1.81 0.00 0.00 61.98 60.13 3iwp s VAL 74 Cb 0.00 -0.49 -0.15 0.00 0.56 0.00 0.00 36.38 36.30 3iwp s VAL 74 CO 0.00 0.17 0.96 0.00 -0.31 0.00 0.00 175.10 175.92 3iwp n GLN 75 N 3.16 0.28 -2.46 4.82 6.02 -1.26 -4.74 117.38 123.20 3iwp n GLN 75 Ca -0.16 -0.02 -0.35 0.00 -0.01 0.00 0.00 57.00 56.46 3iwp n GLN 75 Cb 0.56 -1.57 -0.03 0.00 1.02 0.00 0.00 30.24 30.22 3iwp n GLN 75 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 177.06 177.01 3iwp s ILE 76 N -3.20 3.59 0.42 5.09 -4.36 -1.26 -4.97 121.20 116.51 3iwp s ILE 76 Ca 0.03 1.03 -0.27 0.00 -0.26 0.00 0.00 60.65 61.19 3iwp s ILE 76 Cb 0.15 -3.44 -0.10 0.00 1.25 0.00 0.00 42.46 40.32 3iwp s ILE 76 CO 0.82 -0.17 1.47 -2.16 0.24 0.00 0.00 174.94 175.14 3iwp s PRO 77 N -3.11 3.87 -0.27 0.37 0.04 -1.26 -4.77 135.00 129.87 3iwp s PRO 77 Ca 0.67 2.52 0.03 0.00 0.04 0.00 0.00 61.00 64.26 3iwp s PRO 77 Cb -0.20 -2.80 0.07 0.00 0.04 0.00 0.00 34.50 31.61 3iwp s PRO 77 CO 0.23 -0.71 -0.09 0.08 0.04 0.00 0.00 177.00 176.56 3iwp s VAL 78 N -1.16 2.17 0.16 -0.36 1.01 -1.26 -1.48 120.40 119.49 3iwp s VAL 78 Ca 0.57 -1.72 -0.11 0.00 0.00 0.00 0.00 61.98 60.72 3iwp s VAL 78 Cb -0.46 -2.32 -0.07 0.00 0.00 0.00 0.00 36.38 33.53 3iwp s VAL 78 CO 0.60 -0.10 0.52 -0.36 0.00 0.00 0.00 175.10 175.76 3iwp s PHE 79 N 1.08 3.53 -0.09 5.22 0.40 0.55 -0.97 117.98 127.70 3iwp s PHE 79 Ca -0.06 0.92 0.05 0.00 -0.60 0.00 0.00 56.93 57.23 3iwp s PHE 79 Cb -0.20 -2.28 -0.00 0.00 0.51 0.00 0.00 43.02 41.05 3iwp s PHE 79 CO -0.05 0.39 -0.24 0.08 0.70 0.00 0.00 175.22 176.09 3iwp s VAL 80 N -1.59 2.06 0.09 -0.44 1.01 -0.08 -0.45 120.40 121.00 3iwp s VAL 80 Ca 0.41 -1.03 -0.31 0.00 0.00 0.00 0.00 61.98 61.05 3iwp s VAL 80 Cb -0.13 -1.77 -0.06 0.00 0.00 0.00 0.00 36.38 34.42 3iwp s VAL 80 CO 0.20 0.56 1.21 -0.04 0.00 0.00 0.00 175.10 177.03 3iwp s MET 81 N 0.21 4.44 -0.67 2.72 -1.94 -0.67 -0.30 119.30 123.10 3iwp s MET 81 Ca -0.15 1.81 0.01 0.00 -1.71 0.00 0.00 55.69 55.65 3iwp s MET 81 Cb -0.17 -3.32 0.17 0.00 2.01 0.00 0.00 34.83 33.52 3iwp s MET 81 CO 0.08 -0.23 0.47 0.42 -0.01 0.00 0.00 175.02 175.74 3iwp s ILE 82 N 0.83 3.29 -0.10 2.53 -1.09 0.16 -4.08 121.20 122.74 3iwp s ILE 82 Ca 0.58 -3.60 -0.02 0.00 -2.23 0.00 0.00 60.65 55.38 3iwp s ILE 82 Cb -0.31 -3.15 0.04 0.00 -1.58 0.00 0.00 42.46 37.46 3iwp s ILE 82 CO 0.31 -0.93 0.01 -0.13 -1.23 0.00 0.00 174.94 172.97 3iwp s ARG 83 N -0.76 0.57 0.31 2.79 0.52 -1.26 -4.59 118.95 116.53 3iwp s ARG 83 Ca 0.21 0.01 0.15 0.00 -0.52 0.00 0.00 55.73 55.58 3iwp s ARG 83 Cb -0.15 -1.21 0.41 0.00 0.52 0.00 0.00 34.95 34.52 3iwp s ARG 83 CO -0.08 -0.38 1.61 -1.00 0.02 0.00 0.00 175.30 175.47 3iwp h PRO 84 N 8.32 0.00 -3.46 3.54 0.13 -1.93 0.16 132.00 138.75 3iwp h PRO 84 Ca -0.19 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.89 3iwp h PRO 84 Cb 1.12 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.14 3iwp h PRO 84 CO 0.27 0.52 -0.09 -0.98 -0.23 0.00 0.00 178.00 177.49 3iwp s ARG 85 N -3.40 1.19 1.20 0.86 1.70 -1.26 -4.82 118.95 114.42 3iwp s ARG 85 Ca 0.01 -0.86 -0.20 0.00 -0.47 0.00 0.00 55.73 54.21 3iwp s ARG 85 Cb 0.11 0.47 0.29 0.00 -0.57 0.00 0.00 34.95 35.24 3iwp s ARG 85 CO 0.73 -0.47 1.14 0.20 -1.08 0.00 0.00 175.30 175.81 3iwp s GLY 86 N -2.86 1.61 0.00 3.88 0.00 -1.26 -4.86 107.32 103.83 3iwp s GLY 86 Ca 0.08 -1.04 0.00 0.00 0.00 0.00 0.00 44.72 43.75 3iwp s GLY 86 CO -0.07 -0.14 0.00 0.61 0.00 0.00 0.00 173.10 173.50 3iwp n GLY 87 N -1.25 0.58 3.79 0.20 0.00 -1.26 -4.96 105.19 102.28 3iwp n GLY 87 Ca 0.14 -1.06 -0.29 0.00 0.00 0.00 0.00 46.02 44.81 3iwp n GLY 87 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3iwp s ASP 88 N -4.00 2.84 -0.07 1.61 -4.77 -1.26 -5.01 116.67 106.01 3iwp s ASP 88 Ca 0.00 0.67 0.11 0.00 -3.30 0.00 0.00 52.55 50.03 3iwp s ASP 88 Cb 0.00 -1.00 0.17 0.00 -1.09 0.00 0.00 42.92 40.99 3iwp s ASP 88 CO 0.00 -2.94 1.07 0.49 0.70 0.00 0.00 175.17 174.49 3iwp n PHE 89 N -3.97 0.00 -2.99 2.11 3.01 -1.26 -4.89 117.46 109.46 3iwp n PHE 89 Ca 0.11 -0.73 -0.44 0.00 1.01 0.00 0.00 57.45 57.40 3iwp n PHE 89 Cb 0.59 -0.11 -0.04 0.00 -0.01 0.00 0.00 39.48 39.92 3iwp n PHE 89 CO 0.00 0.00 0.00 -1.17 1.01 0.00 0.00 176.76 176.60 3iwp s LEU 90 N -1.97 4.84 0.03 4.37 0.20 -1.26 -1.94 118.68 122.95 3iwp s LEU 90 Ca 0.18 -1.11 -0.08 0.00 0.69 0.00 0.00 54.13 53.81 3iwp s LEU 90 Cb 0.16 -2.41 -0.05 0.00 -0.43 0.00 0.00 46.19 43.46 3iwp s LEU 90 CO 0.02 -1.23 0.32 -0.31 -0.29 0.00 0.00 176.35 174.86 3iwp s TYR 91 N 3.33 3.58 0.42 5.38 1.51 -1.26 -5.07 117.35 125.24 3iwp s TYR 91 Ca 0.18 0.66 -0.07 0.00 -1.01 0.00 0.00 57.07 56.83 3iwp s TYR 91 Cb -0.20 -2.06 -0.05 0.00 -0.11 0.00 0.00 41.96 39.54 3iwp s TYR 91 CO 0.09 0.58 0.74 -1.54 -1.11 0.00 0.00 175.55 174.31 3iwp s SER 92 N -1.70 6.39 0.24 2.29 1.04 -1.26 -4.90 113.70 115.79 3iwp s SER 92 Ca 0.29 0.96 -0.14 0.00 0.48 0.00 0.00 55.95 57.54 3iwp s SER 92 Cb -0.14 -2.25 0.30 0.00 0.10 0.00 0.00 66.02 64.03 3iwp s SER 92 CO 0.17 -0.45 1.57 0.44 0.98 0.00 0.00 173.24 175.95 3iwp h ASP 93 N 0.83 -1.08 0.32 7.02 3.32 -2.00 0.11 116.42 124.94 3iwp h ASP 93 Ca -0.47 0.27 -0.02 0.00 0.02 0.00 0.00 57.03 56.83 3iwp h ASP 93 Cb 1.20 0.62 -0.00 0.00 0.22 0.00 0.00 39.33 41.37 3iwp h ASP 93 CO 0.63 -0.29 -0.10 -0.09 -1.72 0.00 0.00 179.24 177.67 3iwp h ARG 94 N -0.03 0.00 0.00 3.56 2.43 -2.01 -2.32 114.38 116.01 3iwp h ARG 94 Ca 0.37 0.00 -0.20 0.00 -0.81 0.00 0.00 59.98 59.33 3iwp h ARG 94 Cb 0.62 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.13 3iwp h ARG 94 CO -0.90 0.10 -1.45 0.93 -1.51 0.00 0.00 179.97 177.14 3iwp h GLU 95 N 0.00 0.00 0.18 0.20 5.08 -1.23 -3.32 114.58 115.48 3iwp h GLU 95 Ca -0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 3iwp h GLU 95 Cb 0.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.53 3iwp h GLU 95 CO 0.01 0.37 -0.08 0.82 -1.00 0.00 0.00 179.01 179.13 3iwp h ILE 96 N 0.00 0.89 -1.01 3.13 2.04 -0.63 -1.92 117.51 120.02 3iwp h ILE 96 Ca -0.19 -0.32 0.24 0.00 1.00 0.00 0.00 64.86 65.60 3iwp h ILE 96 Cb 1.70 1.09 -0.09 0.00 -0.74 0.00 0.00 36.82 38.78 3iwp h ILE 96 CO 0.06 0.07 0.65 -0.33 0.00 0.00 0.00 178.15 178.60 3iwp h GLU 97 N -0.39 0.43 -0.17 2.37 5.08 -1.64 0.24 114.58 120.51 3iwp h GLU 97 Ca -0.02 -0.03 -0.22 0.00 -1.00 0.00 0.00 59.36 58.09 3iwp h GLU 97 Cb 0.30 -0.10 0.01 0.00 0.50 0.00 0.00 28.75 29.46 3iwp h GLU 97 CO 0.04 0.28 -0.75 0.28 -1.00 0.00 0.00 179.01 177.86 3iwp h VAL 98 N 0.44 1.28 -0.11 3.13 2.07 -1.61 0.13 116.25 121.58 3iwp h VAL 98 Ca 0.56 -1.95 -0.00 0.00 0.82 0.00 0.00 66.70 66.13 3iwp h VAL 98 Cb 1.36 1.94 -0.00 0.00 -1.52 0.00 0.00 31.29 33.07 3iwp h VAL 98 CO -0.28 0.62 0.05 0.24 0.02 0.00 0.00 177.57 178.22 3iwp h MET 99 N 0.55 0.16 -0.56 1.57 2.86 -0.20 -0.22 114.93 119.08 3iwp h MET 99 Ca -0.04 -0.02 0.06 0.00 -2.06 0.00 0.00 59.70 57.63 3iwp h MET 99 Cb 1.38 -0.03 -0.05 0.00 0.06 0.00 0.00 31.60 32.96 3iwp h MET 99 CO 0.16 0.23 0.28 0.87 1.06 0.00 0.00 176.91 179.50 3iwp h LYS 100 N 0.05 0.51 -0.20 1.72 1.57 -0.57 -1.35 116.57 118.31 3iwp h LYS 100 Ca 0.04 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3iwp h LYS 100 Cb 0.12 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 3iwp h LYS 100 CO -0.00 0.34 0.12 0.00 -0.57 0.00 0.00 179.45 179.34 3iwp h ALA 101 N 1.31 0.25 -0.12 3.86 0.00 -0.52 -2.82 119.26 121.23 3iwp h ALA 101 Ca 0.25 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 55.01 3iwp h ALA 101 Cb 0.18 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3iwp h ALA 101 CO -0.18 -0.25 -0.46 -0.44 0.00 0.00 0.00 179.25 177.92 3iwp h ASP 102 N 0.25 0.31 -0.16 0.00 3.32 -0.73 -2.17 116.42 117.22 3iwp h ASP 102 Ca 0.07 -0.14 -0.02 0.00 0.02 0.00 0.00 57.03 56.96 3iwp h ASP 102 Cb 0.01 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 3iwp h ASP 102 CO -0.01 0.73 0.02 -0.29 -1.72 0.00 0.00 179.24 177.97 3iwp h ILE 103 N 0.23 1.22 -0.47 0.35 2.10 -1.26 0.41 117.51 120.10 3iwp h ILE 103 Ca 0.02 -0.72 0.10 0.00 1.08 0.00 0.00 64.86 65.33 3iwp h ILE 103 Cb 0.90 1.40 -0.09 0.00 -1.09 0.00 0.00 36.82 37.94 3iwp h ILE 103 CO 0.07 0.22 -0.15 0.03 -1.08 0.00 0.00 178.15 177.23 3iwp h ARG 104 N 0.04 -0.04 -0.15 2.19 3.08 -1.28 0.51 114.38 118.72 3iwp h ARG 104 Ca 0.05 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.02 3iwp h ARG 104 Cb 0.31 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 3iwp h ARG 104 CO 0.00 -0.03 -0.28 -0.07 -1.07 0.00 0.00 179.97 178.52 3iwp h LEU 105 N -0.05 0.29 -0.03 3.04 3.38 -1.29 -1.87 115.31 118.78 3iwp h LEU 105 Ca 0.23 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 3iwp h LEU 105 Cb 0.39 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 3iwp h LEU 105 CO -0.51 0.57 0.02 0.00 0.09 0.00 0.00 178.44 178.61 3iwp h ALA 106 N 1.45 0.04 -0.20 1.53 0.00 0.13 -2.36 119.26 119.85 3iwp h ALA 106 Ca 0.04 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.93 3iwp h ALA 106 Cb 0.64 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 3iwp h ALA 106 CO 0.05 -0.43 -0.29 0.87 0.00 0.00 0.00 179.25 179.44 3iwp h LYS 107 N -0.03 -0.21 -1.17 0.00 1.79 -0.58 -2.34 116.57 114.02 3iwp h LYS 107 Ca 0.01 0.01 0.44 0.00 -2.18 0.00 0.00 60.65 58.94 3iwp h LYS 107 Cb 0.07 0.05 -0.16 0.00 -1.58 0.00 0.00 32.23 30.61 3iwp h LYS 107 CO -0.00 -0.14 0.70 -0.11 -1.08 0.00 0.00 179.45 178.82 3iwp n LEU 108 N -4.10 0.28 -1.59 2.94 0.00 -0.74 -0.94 117.00 112.85 3iwp n LEU 108 Ca -0.02 1.50 0.09 0.00 0.00 0.00 0.00 56.01 57.59 3iwp n LEU 108 Cb 0.18 -0.74 0.36 0.00 0.00 0.00 0.00 43.42 43.22 3iwp n LEU 108 CO 0.01 -1.66 0.82 -1.22 0.00 0.00 0.00 177.39 175.33 3iwp n TYR 109 N -4.96 1.51 -0.58 1.96 4.02 -0.90 -4.93 117.16 113.28 3iwp n TYR 109 Ca 0.39 -0.63 0.00 0.00 -0.01 0.00 0.00 57.90 57.65 3iwp n TYR 109 Cb 1.41 -0.26 0.00 0.00 -0.02 0.00 0.00 39.34 40.47 3iwp n TYR 109 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3iwp n GLY 110 N 1.05 0.96 3.64 2.72 0.00 -0.11 -4.61 105.19 108.84 3iwp n GLY 110 Ca 0.26 -0.16 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 3iwp n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iwp s ALA 111 N -2.18 3.59 -1.83 4.61 0.00 -1.09 -4.84 121.76 120.00 3iwp s ALA 111 Ca 0.00 -0.34 0.27 0.00 0.00 0.00 0.00 51.96 51.89 3iwp s ALA 111 Cb 0.00 -3.03 1.56 0.00 0.00 0.00 0.00 23.12 21.65 3iwp s ALA 111 CO 0.00 -0.71 1.96 -0.25 0.00 0.00 0.00 175.76 176.77 3iwp n ASP 112 N 5.45 0.00 0.00 0.00 8.00 -0.15 -4.77 116.55 125.08 3iwp n ASP 112 Ca -0.00 -0.64 0.00 0.00 0.71 0.00 0.00 54.79 54.86 3iwp n ASP 112 Cb 0.49 -0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.51 3iwp n ASP 112 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3iwp n GLY 113 N 0.79 0.77 2.92 0.44 0.00 -1.23 -4.11 105.19 104.77 3iwp n GLY 113 Ca 0.18 -0.80 -0.17 0.00 0.00 0.00 0.00 46.02 45.23 3iwp n GLY 113 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3iwp s LEU 114 N 0.00 1.67 -0.17 0.99 1.43 -0.56 -0.90 118.68 121.14 3iwp s LEU 114 Ca 0.00 -0.10 -0.01 0.00 -1.03 0.00 0.00 54.13 52.99 3iwp s LEU 114 Cb 0.00 -0.33 -0.01 0.00 0.03 0.00 0.00 46.19 45.88 3iwp s LEU 114 CO 0.00 0.01 -0.11 -0.69 0.23 0.00 0.00 176.35 175.78 3iwp s VAL 115 N 0.37 2.98 0.28 -1.59 1.01 0.59 -1.72 120.40 122.33 3iwp s VAL 115 Ca -0.04 -0.66 -0.16 0.00 0.00 0.00 0.00 61.98 61.12 3iwp s VAL 115 Cb -0.08 -2.29 0.01 0.00 0.00 0.00 0.00 36.38 34.02 3iwp s VAL 115 CO -0.00 0.49 0.61 0.72 0.00 0.00 0.00 175.10 176.92 3iwp s PHE 116 N 0.86 0.15 -0.05 5.22 -0.12 -0.96 0.38 117.98 123.47 3iwp s PHE 116 Ca -0.03 -0.58 -0.29 0.00 -0.05 0.00 0.00 56.93 55.97 3iwp s PHE 116 Cb -0.15 0.46 0.07 0.00 -0.63 0.00 0.00 43.02 42.76 3iwp s PHE 116 CO 0.00 -1.17 0.64 0.20 -0.05 0.00 0.00 175.22 174.85 3iwp s GLY 117 N -3.00 -0.54 -0.08 1.99 0.00 -1.26 -2.42 107.32 102.01 3iwp s GLY 117 Ca 0.18 1.23 -0.14 0.00 0.00 0.00 0.00 44.72 45.99 3iwp s GLY 117 CO 0.09 0.89 0.34 0.00 0.00 0.00 0.00 173.10 174.42 3iwp s ALA 118 N -1.19 -0.86 0.13 3.20 0.00 -1.26 -4.91 121.76 116.88 3iwp s ALA 118 Ca -0.11 0.71 0.04 0.00 0.00 0.00 0.00 51.96 52.61 3iwp s ALA 118 Cb -0.01 -0.28 -0.04 0.00 0.00 0.00 0.00 23.12 22.79 3iwp s ALA 118 CO 0.09 -0.21 -0.10 -0.51 0.00 0.00 0.00 175.76 175.03 3iwp s LEU 119 N -0.51 2.50 0.77 0.00 1.43 -0.82 -3.08 118.68 118.97 3iwp s LEU 119 Ca -0.06 -0.96 -0.08 0.00 -1.03 0.00 0.00 54.13 52.00 3iwp s LEU 119 Cb -0.04 -0.33 0.11 0.00 0.03 0.00 0.00 46.19 45.96 3iwp s LEU 119 CO 0.02 -0.31 1.09 -0.89 0.23 0.00 0.00 176.35 176.49 3iwp s THR 120 N -3.11 2.17 0.29 5.49 2.01 0.91 -4.35 115.64 119.05 3iwp s THR 120 Ca 0.14 -0.27 -0.00 0.00 0.31 0.00 0.00 61.69 61.87 3iwp s THR 120 Cb 0.01 -2.91 0.28 0.00 0.01 0.00 0.00 72.50 69.89 3iwp s THR 120 CO 0.00 0.00 1.90 -0.08 -0.69 0.00 0.00 174.62 175.76 3iwp h GLU 121 N -0.85 1.05 -0.70 4.92 4.81 -2.00 -2.93 114.58 118.88 3iwp h GLU 121 Ca -0.43 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 3iwp h GLU 121 Cb 1.29 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 30.43 3iwp h GLU 121 CO 0.51 0.69 0.00 -0.25 -0.73 0.00 0.00 179.01 179.23 3iwp n ASP 122 N -4.49 3.14 0.00 1.04 8.00 -1.26 -4.89 116.55 118.09 3iwp n ASP 122 Ca 0.14 -2.38 0.00 0.00 0.71 0.00 0.00 54.79 53.26 3iwp n ASP 122 Cb 0.19 -0.52 0.00 0.00 -0.02 0.00 0.00 41.12 40.76 3iwp n ASP 122 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3iwp n GLY 123 N 0.49 0.91 3.96 0.44 0.00 -1.11 -4.69 105.19 105.19 3iwp n GLY 123 Ca 0.14 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.94 3iwp n GLY 123 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3iwp s HIS 124 N -3.70 3.24 0.20 1.61 -3.43 -1.26 -1.75 115.29 110.19 3iwp s HIS 124 Ca 0.00 0.16 -0.30 0.00 -0.80 0.00 0.00 55.06 54.12 3iwp s HIS 124 Cb 0.00 -2.19 -0.09 0.00 -1.43 0.00 0.00 32.58 28.88 3iwp s HIS 124 CO 0.00 -0.22 1.28 0.42 -2.00 0.00 0.00 174.74 174.22 3iwp s ILE 125 N -2.44 3.29 -0.73 -5.38 1.01 -1.26 -0.06 121.20 115.62 3iwp s ILE 125 Ca 0.46 1.07 -0.24 0.00 0.00 0.00 0.00 60.65 61.94 3iwp s ILE 125 Cb -0.10 -3.68 0.06 0.00 0.01 0.00 0.00 42.46 38.74 3iwp s ILE 125 CO 0.36 0.17 1.13 -0.62 0.00 0.00 0.00 174.94 175.98 3iwp s ASP 126 N 0.26 6.21 0.19 3.58 -1.08 -1.18 -4.64 116.67 120.01 3iwp s ASP 126 Ca 0.55 -0.85 -0.12 0.00 -0.52 0.00 0.00 52.55 51.62 3iwp s ASP 126 Cb -0.36 -2.49 0.11 0.00 -1.46 0.00 0.00 42.92 38.73 3iwp s ASP 126 CO 0.38 -1.59 1.82 0.11 0.52 0.00 0.00 175.17 176.40 3iwp h LYS 127 N 9.74 0.89 0.03 4.34 1.57 -1.93 -2.97 116.57 128.24 3iwp h LYS 127 Ca -0.23 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.45 3iwp h LYS 127 Cb 1.06 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.19 3iwp h LYS 127 CO 1.23 0.65 -0.02 0.93 -0.57 0.00 0.00 179.45 181.68 3iwp h GLU 128 N 0.88 -0.04 0.00 3.15 3.07 -2.00 -0.27 114.58 119.36 3iwp h GLU 128 Ca 0.23 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.09 3iwp h GLU 128 Cb 0.00 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 27.92 3iwp h GLU 128 CO -0.04 0.08 0.00 -0.07 -1.40 0.00 0.00 179.01 177.58 3iwp h LEU 129 N -0.16 0.00 -0.02 1.33 3.38 -2.00 -2.33 115.31 115.52 3iwp h LEU 129 Ca -0.00 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 3iwp h LEU 129 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3iwp h LEU 129 CO 0.01 0.00 -0.22 0.00 0.09 0.00 0.00 178.44 178.32 3iwp h MET 131 N -0.43 0.76 -0.52 0.00 2.86 -0.75 -0.29 114.93 116.56 3iwp h MET 131 Ca -0.02 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.55 3iwp h MET 131 Cb 0.92 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 32.39 3iwp h MET 131 CO 0.04 0.50 0.24 0.77 1.06 0.00 0.00 176.91 179.53 3iwp h SER 132 N 0.78 0.70 1.07 1.22 0.02 -1.55 0.65 113.55 116.44 3iwp h SER 132 Ca 0.31 -0.14 -0.17 0.00 -0.84 0.00 0.00 61.79 60.95 3iwp h SER 132 Cb 0.15 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.49 3iwp h SER 132 CO -0.16 0.64 -0.81 -0.07 -1.14 0.00 0.00 176.83 175.29 3iwp h LEU 133 N 0.70 0.00 -0.33 5.07 3.38 -1.49 -2.94 115.31 119.71 3iwp h LEU 133 Ca 0.18 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.07 3iwp h LEU 133 Cb 0.14 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3iwp h LEU 133 CO -0.02 0.81 -0.09 -0.03 0.09 0.00 0.00 178.44 179.20 3iwp h MET 134 N 0.00 0.64 -0.33 1.13 4.05 -0.74 -2.01 114.93 117.67 3iwp h MET 134 Ca -0.01 -0.25 -0.05 0.00 -0.28 0.00 0.00 59.70 59.12 3iwp h MET 134 Cb 1.56 -0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 32.31 3iwp h MET 134 CO 0.10 0.82 0.01 0.00 0.23 0.00 0.00 176.91 178.07 3iwp h ALA 135 N 0.80 1.41 0.00 0.39 0.00 -0.88 -0.63 119.26 120.35 3iwp h ALA 135 Ca 0.08 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3iwp h ALA 135 Cb 0.59 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3iwp h ALA 135 CO 0.03 0.42 0.00 0.82 0.00 0.00 0.00 179.25 180.52 3iwp h ILE 136 N 0.48 0.00 0.00 0.00 2.04 -1.42 -3.24 117.51 115.37 3iwp h ILE 136 Ca 0.11 -0.54 -0.23 0.00 1.00 0.00 0.00 64.86 65.20 3iwp h ILE 136 Cb 0.31 1.48 -0.03 0.00 -0.74 0.00 0.00 36.82 37.83 3iwp h ILE 136 CO 0.01 0.00 -1.18 0.00 0.00 0.00 0.00 178.15 176.98 3iwp n ARG 138 N -3.25 0.43 -0.81 0.00 5.12 -0.94 -2.43 116.66 114.78 3iwp n ARG 138 Ca -0.05 0.15 0.08 0.00 -1.93 0.00 0.00 57.85 56.10 3iwp n ARG 138 Cb 0.96 -1.28 0.39 0.00 -1.16 0.00 0.00 32.46 31.36 3iwp n ARG 138 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 3iwp n PRO 139 N 0.91 4.54 -2.42 5.56 -0.04 -1.26 -5.09 135.00 137.20 3iwp n PRO 139 Ca 0.15 -3.09 -0.34 0.00 -0.04 0.00 0.00 63.50 60.17 3iwp n PRO 139 Cb 0.30 -2.16 -0.02 0.00 -0.04 0.00 0.00 33.50 31.57 3iwp n PRO 139 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 3iwp s LEU 140 N -2.59 3.80 0.46 1.53 2.34 -1.02 -5.00 118.68 118.20 3iwp s LEU 140 Ca 0.53 2.02 -0.22 0.00 0.06 0.00 0.00 54.13 56.51 3iwp s LEU 140 Cb 0.39 -4.57 -0.08 0.00 -0.56 0.00 0.00 46.19 41.38 3iwp s LEU 140 CO 0.17 -0.96 1.12 -2.16 -1.06 0.00 0.00 176.35 173.46 3iwp s PRO 141 N -3.29 3.79 -0.22 1.48 0.04 -1.26 -4.83 135.00 130.72 3iwp s PRO 141 Ca 0.69 1.64 -0.01 0.00 0.04 0.00 0.00 61.00 63.36 3iwp s PRO 141 Cb -0.19 -2.34 0.02 0.00 0.04 0.00 0.00 34.50 32.03 3iwp s PRO 141 CO 0.23 -0.49 -0.11 0.08 0.04 0.00 0.00 177.00 176.75 3iwp s VAL 142 N -1.65 2.69 -0.26 -0.36 1.01 -1.26 -1.50 120.40 119.06 3iwp s VAL 142 Ca 0.64 -0.88 -0.12 0.00 0.00 0.00 0.00 61.98 61.62 3iwp s VAL 142 Cb -0.25 -2.26 -0.05 0.00 0.00 0.00 0.00 36.38 33.83 3iwp s VAL 142 CO 0.30 0.37 0.24 -0.89 0.00 0.00 0.00 175.10 175.12 3iwp s THR 143 N 1.34 5.28 -0.01 3.92 2.01 -0.70 -2.15 115.64 125.34 3iwp s THR 143 Ca 0.03 0.31 -0.28 0.00 0.31 0.00 0.00 61.69 62.06 3iwp s THR 143 Cb -0.15 -3.58 -0.03 0.00 0.01 0.00 0.00 72.50 68.75 3iwp s THR 143 CO -0.07 0.26 0.90 0.12 -0.69 0.00 0.00 174.62 175.14 3iwp s PHE 144 N 1.58 3.64 0.00 4.92 5.36 -0.79 -2.26 117.98 130.43 3iwp s PHE 144 Ca 0.10 1.58 0.00 0.00 -0.96 0.00 0.00 56.93 57.65 3iwp s PHE 144 Cb -0.15 -3.03 0.00 0.00 -0.34 0.00 0.00 43.02 39.50 3iwp s PHE 144 CO 0.09 0.03 0.00 -2.39 -1.46 0.00 0.00 175.22 171.48 3iwp n HIS 145 N 3.82 0.00 -0.09 10.12 1.44 -1.02 -0.58 115.22 128.93 3iwp n HIS 145 Ca 0.04 0.00 -0.07 0.00 -2.01 0.00 0.00 57.72 55.68 3iwp n HIS 145 Cb 0.51 0.00 0.03 0.00 0.12 0.00 0.00 29.99 30.65 3iwp n HIS 145 CO 0.00 0.00 0.00 2.89 -2.81 0.00 0.00 176.34 176.42 3iwp n ARG 146 N 0.00 1.36 0.11 -1.40 1.85 -1.23 -2.28 116.66 115.07 3iwp n ARG 146 Ca 0.00 -0.78 0.13 0.00 -1.00 0.00 0.00 57.85 56.20 3iwp n ARG 146 Cb 0.00 -1.31 0.44 0.00 -1.05 0.00 0.00 32.46 30.54 3iwp n ARG 146 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3iwp n ALA 147 N 0.46 2.09 -0.09 2.89 0.00 -1.26 -3.69 120.51 120.91 3iwp n ALA 147 Ca 0.15 0.01 -0.13 0.00 0.00 0.00 0.00 53.44 53.47 3iwp n ALA 147 Cb 0.68 -1.44 -0.04 0.00 0.00 0.00 0.00 19.45 18.64 3iwp n ALA 147 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 3iwp h PHE 148 N 0.00 0.85 0.00 0.00 3.57 -1.73 -2.91 116.94 116.72 3iwp h PHE 148 Ca 0.00 -0.26 0.00 0.00 3.53 0.00 0.00 57.97 61.24 3iwp h PHE 148 Cb 0.61 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.17 3iwp h PHE 148 CO 0.00 1.00 0.02 -0.25 -2.23 0.00 0.00 178.31 176.86 3iwp n ASP 149 N -4.26 0.17 -1.34 0.41 8.00 -1.24 -1.68 116.55 116.61 3iwp n ASP 149 Ca -0.04 0.56 0.10 0.00 0.71 0.00 0.00 54.79 56.13 3iwp n ASP 149 Cb 0.47 -0.58 0.32 0.00 -0.02 0.00 0.00 41.12 41.31 3iwp n ASP 149 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 3iwp n MET 150 N -1.72 3.14 -3.06 -1.24 2.81 -1.10 -4.03 117.12 111.93 3iwp n MET 150 Ca -0.00 -2.69 -0.30 0.00 -1.81 0.00 0.00 57.70 52.90 3iwp n MET 150 Cb 0.03 -1.66 -0.03 0.00 -0.71 0.00 0.00 33.22 30.84 3iwp n MET 150 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3iwp s VAL 151 N -1.37 4.87 -0.00 2.03 1.01 -0.67 -4.89 120.40 121.36 3iwp s VAL 151 Ca 0.47 0.44 -0.08 0.00 0.00 0.00 0.00 61.98 62.81 3iwp s VAL 151 Cb 0.27 -3.72 -0.04 0.00 0.00 0.00 0.00 36.38 32.89 3iwp s VAL 151 CO 0.27 -0.41 0.66 -0.74 0.00 0.00 0.00 175.10 174.89 3iwp h HIS 152 N 1.52 -0.26 -3.24 5.22 2.76 -1.62 -3.41 115.15 116.12 3iwp h HIS 152 Ca -0.47 -0.01 -0.74 0.00 -2.20 0.00 0.00 60.37 56.95 3iwp h HIS 152 Cb 1.19 0.09 -0.27 0.00 1.55 0.00 0.00 27.41 29.96 3iwp h HIS 152 CO 0.60 -0.16 -0.29 0.34 -1.30 0.00 0.00 177.93 177.11 3iwp s ASP 153 N -3.28 5.95 0.36 3.26 -1.08 -1.26 -4.94 116.67 115.68 3iwp s ASP 153 Ca -0.04 -1.92 0.26 0.00 -0.52 0.00 0.00 52.55 50.32 3iwp s ASP 153 Cb 0.00 -2.10 0.70 0.00 -1.46 0.00 0.00 42.92 40.07 3iwp s ASP 153 CO 0.12 -0.75 1.73 1.55 0.52 0.00 0.00 175.17 178.34 3iwp h PRO 154 N 8.57 0.00 0.11 4.34 0.13 -1.93 -0.39 132.00 142.83 3iwp h PRO 154 Ca -0.23 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.64 3iwp h PRO 154 Cb 1.08 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.24 3iwp h PRO 154 CO 0.93 0.00 -1.07 0.52 -0.23 0.00 0.00 178.00 178.15 3iwp h MET 155 N 0.00 0.54 0.00 0.86 2.86 -1.99 -2.97 114.93 114.23 3iwp h MET 155 Ca 0.00 -0.72 0.00 0.00 -2.06 0.00 0.00 59.70 56.92 3iwp h MET 155 Cb 0.78 0.24 0.00 0.00 0.06 0.00 0.00 31.60 32.68 3iwp h MET 155 CO 0.00 1.31 0.00 0.00 1.06 0.00 0.00 176.91 179.28 3iwp h ALA 156 N 0.25 1.00 -0.13 6.32 0.00 -1.98 -3.25 119.26 121.48 3iwp h ALA 156 Ca -0.16 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.64 3iwp h ALA 156 Cb 1.77 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.57 3iwp h ALA 156 CO 0.21 0.00 -0.33 0.00 0.00 0.00 0.00 179.25 179.12 3iwp h ALA 157 N 2.07 0.21 0.00 0.00 0.00 -1.12 -2.86 119.26 117.56 3iwp h ALA 157 Ca 0.00 -0.43 -0.04 0.00 0.00 0.00 0.00 54.91 54.43 3iwp h ALA 157 Cb 0.90 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 3iwp h ALA 157 CO 0.00 0.26 -0.21 1.25 0.00 0.00 0.00 179.25 180.55 3iwp h LEU 158 N 0.04 0.00 -0.37 0.00 6.46 -1.60 -1.58 115.31 118.27 3iwp h LEU 158 Ca -0.01 0.00 -0.07 0.00 -0.12 0.00 0.00 57.88 57.68 3iwp h LEU 158 Cb 0.95 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.86 3iwp h LEU 158 CO 0.07 0.21 -0.04 -0.08 -0.62 0.00 0.00 178.44 177.98 3iwp h GLU 159 N 0.00 0.68 -0.29 1.25 4.81 -1.57 -1.70 114.58 117.76 3iwp h GLU 159 Ca -0.00 -0.24 -0.16 0.00 -0.13 0.00 0.00 59.36 58.83 3iwp h GLU 159 Cb 0.42 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 3iwp h GLU 159 CO 0.03 0.81 -0.46 1.15 -0.73 0.00 0.00 179.01 179.81 3iwp h THR 160 N 0.48 1.29 -0.80 0.32 2.02 -1.21 -0.83 112.91 114.18 3iwp h THR 160 Ca 0.10 -1.65 -0.02 0.00 0.77 0.00 0.00 66.41 65.61 3iwp h THR 160 Cb 0.53 1.56 -0.04 0.00 -1.74 0.00 0.00 68.15 68.46 3iwp h THR 160 CO 0.03 0.53 0.41 -0.07 0.37 0.00 0.00 175.52 176.79 3iwp h LEU 161 N 0.59 1.03 0.14 2.58 3.38 -1.30 -2.21 115.31 119.51 3iwp h LEU 161 Ca 0.04 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 57.90 3iwp h LEU 161 Cb 1.02 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 3iwp h LEU 161 CO 0.10 0.85 -0.18 -0.07 0.09 0.00 0.00 178.44 179.23 3iwp h LEU 162 N 1.12 -0.49 0.00 1.67 3.38 -1.16 -2.21 115.31 117.63 3iwp h LEU 162 Ca 0.28 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.30 3iwp h LEU 162 Cb 0.07 0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3iwp h LEU 162 CO -0.04 -0.26 0.00 0.41 0.09 0.00 0.00 178.44 178.64 3iwp n THR 163 N -5.31 0.00 -0.47 0.22 -1.04 -0.33 0.24 114.28 107.59 3iwp n THR 163 Ca -0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.94 3iwp n THR 163 Cb 0.22 -0.34 0.00 0.00 -1.82 0.00 0.00 70.33 68.40 3iwp n THR 163 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3iwp n LEU 164 N -0.51 0.97 -3.76 -4.42 4.77 -0.88 -5.03 117.00 108.14 3iwp n LEU 164 Ca 0.00 -0.97 -0.27 0.00 -0.03 0.00 0.00 56.01 54.74 3iwp n LEU 164 Cb 0.00 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.14 3iwp n LEU 164 CO 0.00 0.24 0.17 0.61 -1.33 0.00 0.00 177.39 177.09 3iwp n GLY 165 N -0.22 -0.52 3.75 -0.72 0.00 0.14 -4.95 105.19 102.66 3iwp n GLY 165 Ca 0.00 0.22 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 3iwp n GLY 165 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3iwp s PHE 166 N -3.31 3.23 0.12 1.61 0.40 -1.04 -4.94 117.98 114.05 3iwp s PHE 166 Ca 0.62 1.29 0.11 0.00 -0.60 0.00 0.00 56.93 58.36 3iwp s PHE 166 Cb -0.29 -3.60 0.15 0.00 0.51 0.00 0.00 43.02 39.79 3iwp s PHE 166 CO 0.78 -1.79 1.48 0.93 0.70 0.00 0.00 175.22 177.32 3iwp h GLU 167 N 4.82 0.00 -3.75 0.44 4.39 -1.79 -3.45 114.58 115.23 3iwp h GLU 167 Ca -0.46 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.14 3iwp h GLU 167 Cb 1.22 0.00 -0.16 0.00 -0.10 0.00 0.00 28.75 29.71 3iwp h GLU 167 CO 0.74 0.70 -0.43 1.03 -1.16 0.00 0.00 179.01 179.89 3iwp s ARG 168 N -3.16 0.72 -0.07 2.33 1.81 -1.22 -2.84 118.95 116.53 3iwp s ARG 168 Ca 0.01 -0.82 0.01 0.00 -1.72 0.00 0.00 55.73 53.21 3iwp s ARG 168 Cb 0.10 0.29 0.02 0.00 -0.45 0.00 0.00 34.95 34.91 3iwp s ARG 168 CO 0.77 -0.21 -0.07 0.08 -0.68 0.00 0.00 175.30 175.19 3iwp s VAL 169 N -3.14 0.82 -0.09 3.52 1.01 -0.56 -1.89 120.40 120.08 3iwp s VAL 169 Ca -0.01 -0.26 -0.19 0.00 0.00 0.00 0.00 61.98 61.53 3iwp s VAL 169 Cb 0.02 -0.82 -0.04 0.00 0.00 0.00 0.00 36.38 35.54 3iwp s VAL 169 CO -0.07 0.30 0.52 -0.22 0.00 0.00 0.00 175.10 175.63 3iwp s LEU 170 N 1.07 4.32 -0.27 3.92 0.20 0.26 -0.33 118.68 127.85 3iwp s LEU 170 Ca -0.08 0.93 -0.14 0.00 0.69 0.00 0.00 54.13 55.52 3iwp s LEU 170 Cb -0.14 -2.77 0.08 0.00 -0.43 0.00 0.00 46.19 42.93 3iwp s LEU 170 CO -0.01 0.03 0.64 -0.89 -0.29 0.00 0.00 176.35 175.83 3iwp s THR 171 N 0.40 -0.12 -0.65 3.68 2.01 0.12 -3.52 115.64 117.55 3iwp s THR 171 Ca 0.28 0.02 0.23 0.00 0.31 0.00 0.00 61.69 62.53 3iwp s THR 171 Cb -0.16 -0.94 -0.08 0.00 0.01 0.00 0.00 72.50 71.32 3iwp s THR 171 CO 0.13 0.01 1.09 -1.54 -0.69 0.00 0.00 174.62 173.61 3iwp n SER 172 N 4.45 0.63 0.00 3.53 3.41 -1.19 -1.17 113.62 123.28 3iwp n SER 172 Ca -0.19 -0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.24 3iwp n SER 172 Cb 0.57 0.67 0.00 0.00 -0.26 0.00 0.00 64.21 65.19 3iwp n SER 172 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3iwp n GLY 173 N 1.37 1.48 2.46 5.00 0.00 -1.26 -3.62 105.19 110.63 3iwp n GLY 173 Ca 0.02 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.85 3iwp n GLY 173 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iwp n ASP 175 N -1.45 1.32 -0.09 0.00 -0.08 -1.26 -4.98 116.55 110.01 3iwp n ASP 175 Ca -0.21 0.00 -0.09 0.00 -1.51 0.00 0.00 54.79 52.98 3iwp n ASP 175 Cb 0.65 0.00 -0.16 0.00 2.34 0.00 0.00 41.12 43.95 3iwp n ASP 175 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 3iwp n SER 176 N 0.00 0.12 -4.28 1.67 3.41 -1.26 -4.88 113.62 108.39 3iwp n SER 176 Ca 0.00 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.46 3iwp n SER 176 Cb 0.00 1.03 -0.10 0.00 -0.26 0.00 0.00 64.21 64.88 3iwp n SER 176 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3iwp s SER 177 N -5.39 0.91 0.06 4.04 1.04 -1.26 -4.68 113.70 108.41 3iwp s SER 177 Ca -0.10 -1.38 -0.19 0.00 0.48 0.00 0.00 55.95 54.77 3iwp s SER 177 Cb 0.06 0.22 -0.11 0.00 0.10 0.00 0.00 66.02 66.29 3iwp s SER 177 CO 0.81 -0.75 1.43 0.00 0.98 0.00 0.00 173.24 175.71 3iwp h ALA 178 N 2.46 0.28 -0.86 5.32 0.00 -1.74 -1.05 119.26 123.67 3iwp h ALA 178 Ca -0.38 -0.28 0.09 0.00 0.00 0.00 0.00 54.91 54.35 3iwp h ALA 178 Cb 1.25 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.89 3iwp h ALA 178 CO 0.59 0.10 0.51 1.25 0.00 0.00 0.00 179.25 181.70 3iwp h LEU 179 N 0.12 0.76 -1.14 0.00 6.46 -1.93 -0.46 115.31 119.13 3iwp h LEU 179 Ca 0.05 0.04 -0.09 0.00 -0.12 0.00 0.00 57.88 57.76 3iwp h LEU 179 Cb 0.56 -0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 40.36 3iwp h LEU 179 CO 0.03 0.45 -0.34 -0.33 -0.62 0.00 0.00 178.44 177.62 3iwp h GLU 180 N 0.88 0.15 -0.23 1.25 4.39 -1.87 -3.28 114.58 115.86 3iwp h GLU 180 Ca 0.41 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 60.05 3iwp h GLU 180 Cb 0.32 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 3iwp h GLU 180 CO -0.23 0.48 0.00 0.41 -1.16 0.00 0.00 179.01 178.51 3iwp n GLY 181 N -0.42 1.24 0.41 -3.84 0.00 -0.33 -4.66 105.19 97.59 3iwp n GLY 181 Ca -0.01 -0.67 -0.08 0.00 0.00 0.00 0.00 46.02 45.25 3iwp n GLY 181 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3iwp h LEU 182 N 4.18 -1.75 -0.97 0.99 3.38 -1.22 -1.17 115.31 118.75 3iwp h LEU 182 Ca 0.00 0.29 0.30 0.00 0.09 0.00 0.00 57.88 58.56 3iwp h LEU 182 Cb 0.91 0.81 -0.15 0.00 0.09 0.00 0.00 40.66 42.31 3iwp h LEU 182 CO 0.00 -0.29 0.46 1.55 0.09 0.00 0.00 178.44 180.25 3iwp h PRO 183 N -0.10 0.26 0.18 1.13 0.13 -1.88 0.11 132.00 131.82 3iwp h PRO 183 Ca 0.21 -0.02 -0.31 0.00 -0.87 0.00 0.00 66.00 65.01 3iwp h PRO 183 Cb 0.52 -0.06 0.03 0.00 0.13 0.00 0.00 31.00 31.62 3iwp h PRO 183 CO -0.85 0.17 -1.35 1.25 -0.23 0.00 0.00 178.00 177.00 3iwp h LEU 184 N 0.27 0.81 -0.30 1.56 6.46 -1.57 -3.06 115.31 119.48 3iwp h LEU 184 Ca 0.69 -0.81 -0.01 0.00 -0.12 0.00 0.00 57.88 57.63 3iwp h LEU 184 Cb 1.54 -0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 41.20 3iwp h LEU 184 CO -0.64 1.62 0.14 0.40 -0.62 0.00 0.00 178.44 179.34 3iwp h ILE 185 N 0.19 1.16 -0.14 4.05 2.04 -0.01 -1.92 117.51 122.90 3iwp h ILE 185 Ca -0.21 -0.46 0.05 0.00 1.00 0.00 0.00 64.86 65.24 3iwp h ILE 185 Cb 2.03 0.92 -0.06 0.00 -0.74 0.00 0.00 36.82 38.97 3iwp h ILE 185 CO 0.25 0.16 -0.32 0.50 0.00 0.00 0.00 178.15 178.75 3iwp h LYS 186 N 0.34 -0.37 0.00 2.37 3.64 -1.15 -1.34 116.57 120.06 3iwp h LYS 186 Ca 0.10 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 3iwp h LYS 186 Cb 0.13 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 3iwp h LYS 186 CO -0.01 -0.25 0.00 0.00 -2.27 0.00 0.00 179.45 176.92 3iwp h ARG 187 N -0.39 0.00 0.12 1.90 3.08 -1.37 -2.11 114.38 115.61 3iwp h ARG 187 Ca 0.10 0.00 -0.35 0.00 0.07 0.00 0.00 59.98 59.80 3iwp h ARG 187 Cb 0.54 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.58 3iwp h ARG 187 CO -0.35 0.00 -1.88 -0.07 -1.07 0.00 0.00 179.97 176.60 3iwp h LEU 188 N 0.00 0.41 -2.07 3.04 3.38 -0.65 -2.93 115.31 116.49 3iwp h LEU 188 Ca 0.00 -0.92 0.05 0.00 0.09 0.00 0.00 57.88 57.11 3iwp h LEU 188 Cb 0.03 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3iwp h LEU 188 CO 0.00 1.81 0.14 0.40 0.09 0.00 0.00 178.44 180.88 3iwp h ILE 189 N -0.03 0.81 0.00 1.22 2.04 -0.62 0.18 117.51 121.11 3iwp h ILE 189 Ca -0.40 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.44 3iwp h ILE 189 Cb 1.97 0.90 -0.00 0.00 -0.74 0.00 0.00 36.82 38.95 3iwp h ILE 189 CO 0.08 0.00 -1.33 -0.62 0.00 0.00 0.00 178.15 176.27 3iwp n GLU 190 N -4.33 0.62 0.08 2.37 1.02 -0.94 -3.16 120.64 116.31 3iwp n GLU 190 Ca 0.01 0.04 -0.10 0.00 -0.02 0.00 0.00 57.16 57.09 3iwp n GLU 190 Cb 0.27 -1.74 -0.10 0.00 -0.02 0.00 0.00 31.44 29.85 3iwp n GLU 190 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 3iwp h GLN 191 N 0.00 0.13 0.13 3.49 4.15 -1.16 -3.36 115.11 118.50 3iwp h GLN 191 Ca -0.03 -0.21 -0.01 0.00 0.77 0.00 0.00 58.65 59.18 3iwp h GLN 191 Cb 1.08 0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.84 3iwp h GLN 191 CO 0.00 1.07 -0.06 0.00 -1.93 0.00 0.00 178.83 177.91 3iwp h ALA 192 N 0.85 -0.18 -5.01 3.38 0.00 -0.75 -3.49 119.26 114.06 3iwp h ALA 192 Ca -0.06 -0.24 -0.24 0.00 0.00 0.00 0.00 54.91 54.37 3iwp h ALA 192 Cb 1.79 0.07 0.15 0.00 0.00 0.00 0.00 17.79 19.80 3iwp h ALA 192 CO 0.16 -0.32 -0.66 1.63 0.00 0.00 0.00 179.25 180.05 3iwp n LYS 193 N -4.93 -3.95 -0.20 0.00 5.02 -1.19 -3.17 118.16 109.74 3iwp n LYS 193 Ca -0.08 0.71 0.00 0.00 -2.02 0.00 0.00 58.31 56.91 3iwp n LYS 193 Cb 0.27 -5.19 0.00 0.00 -0.02 0.00 0.00 35.03 30.09 3iwp n LYS 193 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3iwp n GLY 194 N -1.18 0.98 0.28 0.72 0.00 -1.26 -4.82 105.19 99.90 3iwp n GLY 194 Ca -0.16 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.87 3iwp n GLY 194 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3iwp h ARG 195 N 0.92 0.51 -4.90 1.61 3.08 -1.94 -3.41 114.38 110.25 3iwp h ARG 195 Ca 0.00 -0.09 -0.41 0.00 0.07 0.00 0.00 59.98 59.55 3iwp h ARG 195 Cb 0.00 -0.08 -0.28 0.00 0.08 0.00 0.00 29.97 29.69 3iwp h ARG 195 CO 0.00 0.50 -0.78 0.42 -1.07 0.00 0.00 179.97 179.04 3iwp s ILE 196 N -5.06 0.83 -0.09 2.04 1.01 -1.26 -4.97 121.20 113.70 3iwp s ILE 196 Ca -0.08 -0.56 -0.30 0.00 0.00 0.00 0.00 60.65 59.72 3iwp s ILE 196 Cb 0.16 -0.71 -0.02 0.00 0.01 0.00 0.00 42.46 41.89 3iwp s ILE 196 CO 0.76 0.15 1.19 -0.69 0.00 0.00 0.00 174.94 176.35 3iwp s VAL 197 N -0.40 4.33 -0.34 2.92 1.01 -1.13 -4.87 120.40 121.93 3iwp s VAL 197 Ca 0.03 1.64 -0.13 0.00 0.00 0.00 0.00 61.98 63.52 3iwp s VAL 197 Cb -0.05 -4.06 -0.02 0.00 0.00 0.00 0.00 36.38 32.26 3iwp s VAL 197 CO -0.00 -0.03 0.25 -0.69 0.00 0.00 0.00 175.10 174.62 3iwp s VAL 198 N 2.48 5.28 -0.32 2.92 1.01 -1.26 -1.50 120.40 129.01 3iwp s VAL 198 Ca 0.54 -0.19 -0.10 0.00 0.00 0.00 0.00 61.98 62.23 3iwp s VAL 198 Cb -0.23 -3.72 -0.00 0.00 0.00 0.00 0.00 36.38 32.43 3iwp s VAL 198 CO 0.19 -0.01 0.17 -0.04 0.00 0.00 0.00 175.10 175.42 3iwp s MET 199 N 1.74 3.28 0.19 2.72 -1.94 0.55 -4.41 119.30 121.43 3iwp s MET 199 Ca 0.06 -0.77 -0.30 0.00 -1.71 0.00 0.00 55.69 52.97 3iwp s MET 199 Cb -0.17 -3.62 -0.09 0.00 2.01 0.00 0.00 34.83 32.95 3iwp s MET 199 CO 0.11 -0.46 1.36 -1.25 -0.01 0.00 0.00 175.02 174.76 3iwp s PRO 200 N 1.62 4.35 0.00 2.03 0.04 -1.26 -0.71 135.00 141.07 3iwp s PRO 200 Ca 0.04 2.11 0.01 0.00 0.04 0.00 0.00 61.00 63.21 3iwp s PRO 200 Cb -0.17 -3.19 -0.01 0.00 0.04 0.00 0.00 34.50 31.17 3iwp s PRO 200 CO 0.07 -0.34 -0.05 0.20 0.04 0.00 0.00 177.00 176.92 3iwp s GLY 201 N 0.54 0.25 0.00 0.56 0.00 -0.31 -0.41 107.32 107.94 3iwp s GLY 201 Ca 0.59 -0.26 0.00 0.00 0.00 0.00 0.00 44.72 45.05 3iwp s GLY 201 CO 0.37 -0.23 0.00 0.61 0.00 0.00 0.00 173.10 173.85 3iwp n GLY 202 N 2.80 -0.51 1.53 0.20 0.00 -1.26 -3.18 105.19 104.76 3iwp n GLY 202 Ca -0.14 0.25 -0.04 0.00 0.00 0.00 0.00 46.02 46.10 3iwp n GLY 202 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iwp n GLY 203 N 0.00 2.88 3.59 -0.02 0.00 -1.26 -4.80 105.19 105.58 3iwp n GLY 203 Ca 0.00 -0.61 -0.44 0.00 0.00 0.00 0.00 46.02 44.97 3iwp n GLY 203 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3iwp n ILE 204 N 0.01 0.37 -4.37 -0.61 5.41 -1.26 -4.94 119.36 113.97 3iwp n ILE 204 Ca 0.25 -0.40 -0.20 0.00 1.00 0.00 0.00 62.75 63.41 3iwp n ILE 204 Cb 1.00 -2.40 -0.09 0.00 -0.71 0.00 0.00 39.64 37.43 3iwp n ILE 204 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 3iwp s THR 205 N 7.71 0.46 0.47 1.39 2.01 -1.26 -4.69 115.64 121.73 3iwp s THR 205 Ca 1.01 -2.00 0.20 0.00 0.31 0.00 0.00 61.69 61.21 3iwp s THR 205 Cb -0.43 -2.52 0.38 0.00 0.01 0.00 0.00 72.50 69.94 3iwp s THR 205 CO 0.38 0.00 1.95 -2.24 -0.69 0.00 0.00 174.62 174.02 3iwp h ASP 206 N 2.14 0.22 0.73 3.53 2.03 -1.92 0.30 116.42 123.45 3iwp h ASP 206 Ca -0.35 0.01 0.00 0.00 -0.73 0.00 0.00 57.03 55.97 3iwp h ASP 206 Cb 1.25 -0.03 0.00 0.00 -0.83 0.00 0.00 39.33 39.72 3iwp h ASP 206 CO 0.55 0.11 0.00 0.54 -1.03 0.00 0.00 179.24 179.41 3iwp n ARG 207 N -4.43 0.01 0.00 4.15 1.74 -1.26 -4.10 116.66 112.77 3iwp n ARG 207 Ca 0.13 0.13 0.00 0.00 -0.77 0.00 0.00 57.85 57.34 3iwp n ARG 207 Cb 0.58 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.52 3iwp n ARG 207 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 3iwp n ASN 208 N -1.49 0.00 0.24 0.55 6.94 -0.35 -4.91 115.26 116.24 3iwp n ASN 208 Ca 0.05 -1.00 -0.16 0.00 -0.02 0.00 0.00 54.58 53.46 3iwp n ASN 208 Cb 0.25 0.00 -0.08 0.00 -2.36 0.00 0.00 39.78 37.59 3iwp n ASN 208 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 3iwp h LEU 209 N 0.00 -0.67 -0.45 -4.53 6.46 -0.62 -2.70 115.31 112.80 3iwp h LEU 209 Ca 0.00 0.04 0.09 0.00 -0.12 0.00 0.00 57.88 57.89 3iwp h LEU 209 Cb 0.51 0.20 -0.09 0.00 -0.73 0.00 0.00 40.66 40.54 3iwp h LEU 209 CO 0.00 -0.41 -0.23 -0.61 -0.62 0.00 0.00 178.44 176.57 3iwp h GLN 210 N -0.65 -0.13 0.00 1.25 4.15 -1.84 0.23 115.11 118.11 3iwp h GLN 210 Ca -0.04 0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.37 3iwp h GLN 210 Cb 0.54 0.03 -0.00 0.00 0.21 0.00 0.00 27.48 28.26 3iwp h GLN 210 CO 0.03 -0.09 -0.08 0.00 -1.93 0.00 0.00 178.83 176.77 3iwp h ARG 211 N -0.14 0.00 0.21 1.69 3.08 -1.91 -0.53 114.38 116.79 3iwp h ARG 211 Ca 0.21 0.00 -0.30 0.00 0.07 0.00 0.00 59.98 59.96 3iwp h ARG 211 Cb 0.47 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.54 3iwp h ARG 211 CO -0.53 0.08 -1.39 0.82 -1.07 0.00 0.00 179.97 177.87 3iwp h ILE 212 N 0.00 1.24 0.03 2.04 2.04 -0.28 -1.25 117.51 121.34 3iwp h ILE 212 Ca -0.00 -2.60 -0.00 0.00 1.00 0.00 0.00 64.86 63.25 3iwp h ILE 212 Cb 0.22 3.00 0.00 0.00 -0.74 0.00 0.00 36.82 39.30 3iwp h ILE 212 CO 0.01 0.79 -0.01 -0.07 0.00 0.00 0.00 178.15 178.87 3iwp h LEU 213 N -0.01 -0.03 -2.40 1.44 3.38 -0.96 0.26 115.31 116.99 3iwp h LEU 213 Ca -0.26 -0.52 -0.01 0.00 0.09 0.00 0.00 57.88 57.19 3iwp h LEU 213 Cb 2.01 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 42.77 3iwp h LEU 213 CO 0.21 0.51 -0.03 -0.33 0.09 0.00 0.00 178.44 178.90 3iwp h GLU 214 N -0.58 0.00 0.18 1.13 5.08 -1.25 1.22 114.58 120.35 3iwp h GLU 214 Ca -0.00 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.10 3iwp h GLU 214 Cb 0.55 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.82 3iwp h GLU 214 CO 0.01 0.03 -1.16 0.78 -1.00 0.00 0.00 179.01 177.67 3iwp h GLY 215 N 0.50 0.44 0.01 -3.84 0.00 -1.01 -3.40 103.07 95.77 3iwp h GLY 215 Ca -0.00 -1.12 -0.38 0.00 0.00 0.00 0.00 47.33 45.83 3iwp h GLY 215 CO 0.00 0.98 -2.41 -1.14 0.00 0.00 0.00 176.54 173.98 3iwp n SER 216 N -3.94 0.58 -2.19 0.19 3.41 0.88 -4.74 113.62 107.82 3iwp n SER 216 Ca -0.17 -0.04 -0.06 0.00 -0.26 0.00 0.00 58.87 58.35 3iwp n SER 216 Cb 0.94 0.58 0.03 0.00 -0.26 0.00 0.00 64.21 65.50 3iwp n SER 216 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3iwp n GLY 217 N 1.90 0.09 3.70 5.00 0.00 0.41 -4.63 105.19 111.66 3iwp n GLY 217 Ca -0.37 0.05 -0.31 0.00 0.00 0.00 0.00 46.02 45.39 3iwp n GLY 217 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iwp s ALA 218 N -3.15 3.34 -0.08 4.61 0.00 -1.25 -5.03 121.76 120.19 3iwp s ALA 218 Ca 0.17 -1.02 -0.11 0.00 0.00 0.00 0.00 51.96 51.00 3iwp s ALA 218 Cb -0.02 -1.30 -0.08 0.00 0.00 0.00 0.00 23.12 21.71 3iwp s ALA 218 CO 0.29 0.69 0.40 1.15 0.00 0.00 0.00 175.76 178.29 3iwp h THR 219 N 3.11 0.41 -3.33 0.00 2.02 -1.96 -3.48 112.91 109.67 3iwp h THR 219 Ca -0.48 -1.13 -0.65 0.00 0.77 0.00 0.00 66.41 64.92 3iwp h THR 219 Cb 1.17 0.73 -0.15 0.00 -1.74 0.00 0.00 68.15 68.16 3iwp h THR 219 CO 0.60 0.13 -0.73 -1.61 0.37 0.00 0.00 175.52 174.27 3iwp s GLU 220 N -2.35 2.11 -0.02 6.66 2.02 -1.26 -2.45 118.70 123.41 3iwp s GLU 220 Ca -0.07 -1.11 -0.05 0.00 0.02 0.00 0.00 54.97 53.76 3iwp s GLU 220 Cb -0.00 -2.26 0.00 0.00 0.10 0.00 0.00 34.13 31.97 3iwp s GLU 220 CO 0.23 0.48 0.10 -0.59 0.02 0.00 0.00 175.26 175.50 3iwp s PHE 221 N -1.41 -0.00 -0.06 1.61 -0.12 -1.10 -3.94 117.98 112.96 3iwp s PHE 221 Ca 0.23 0.01 -0.06 0.00 -0.05 0.00 0.00 56.93 57.06 3iwp s PHE 221 Cb -0.10 -0.03 -0.04 0.00 -0.63 0.00 0.00 43.02 42.22 3iwp s PHE 221 CO 0.14 -0.17 0.18 -1.58 -0.05 0.00 0.00 175.22 173.74 3iwp s HIS 222 N -0.75 3.58 0.00 3.49 5.65 0.45 -2.54 115.29 125.17 3iwp s HIS 222 Ca -0.08 0.48 0.00 0.00 0.25 0.00 0.00 55.06 55.71 3iwp s HIS 222 Cb -0.05 -1.91 0.00 0.00 -1.18 0.00 0.00 32.58 29.44 3iwp s HIS 222 CO 0.01 0.68 0.00 0.00 -0.65 0.00 0.00 174.74 174.78 3iwp s SER 224 N 2.00 -0.45 -0.70 0.00 1.04 -1.26 -2.46 113.70 111.87 3iwp s SER 224 Ca 0.00 0.78 0.03 0.00 0.48 0.00 0.00 55.95 57.24 3iwp s SER 224 Cb 0.00 0.76 0.35 0.00 0.10 0.00 0.00 66.02 67.23 3iwp s SER 224 CO 0.00 -0.21 1.29 0.00 0.98 0.00 0.00 173.24 175.30 3iwp n ALA 225 N 1.86 5.26 -2.04 5.32 0.00 -1.26 -5.01 120.51 124.64 3iwp n ALA 225 Ca -0.12 -4.58 -0.32 0.00 0.00 0.00 0.00 53.44 48.42 3iwp n ALA 225 Cb 0.56 -1.18 -0.05 0.00 0.00 0.00 0.00 19.45 18.78 3iwp n ALA 225 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3iwp s ARG 226 N -3.76 4.00 0.23 0.00 0.52 -1.26 0.39 118.95 119.07 3iwp s ARG 226 Ca 0.46 0.77 0.00 0.00 -0.52 0.00 0.00 55.73 56.44 3iwp s ARG 226 Cb 0.29 -2.33 -0.04 0.00 0.52 0.00 0.00 34.95 33.39 3iwp s ARG 226 CO -0.17 0.03 0.13 -1.54 0.02 0.00 0.00 175.30 173.77 3iwp s SER 227 N -2.52 0.60 -0.02 0.23 1.04 -0.92 -4.84 113.70 107.28 3iwp s SER 227 Ca 0.56 -1.43 -0.02 0.00 0.48 0.00 0.00 55.95 55.55 3iwp s SER 227 Cb -0.10 0.34 -0.04 0.00 0.10 0.00 0.00 66.02 66.32 3iwp s SER 227 CO 0.21 -0.83 0.11 0.42 0.98 0.00 0.00 173.24 174.12 3iwp s THR 228 N -3.97 4.96 0.10 2.02 -4.23 -1.26 -2.88 115.64 110.37 3iwp s THR 228 Ca 0.39 -0.30 0.03 0.00 -1.18 0.00 0.00 61.69 60.63 3iwp s THR 228 Cb 0.07 -3.27 -0.04 0.00 1.34 0.00 0.00 72.50 70.60 3iwp s THR 228 CO 0.14 0.37 -0.09 -0.13 -0.54 0.00 0.00 174.62 174.37 3iwp s ARG 229 N -1.72 0.83 0.03 3.99 0.52 0.03 -4.97 118.95 117.68 3iwp s ARG 229 Ca 0.23 -1.21 -0.29 0.00 -0.52 0.00 0.00 55.73 53.94 3iwp s ARG 229 Cb -0.12 -0.41 -0.04 0.00 0.52 0.00 0.00 34.95 34.90 3iwp s ARG 229 CO 0.14 0.04 0.91 0.34 0.02 0.00 0.00 175.30 176.76 3iwp s ASP 230 N -2.65 7.34 0.42 0.23 2.15 -1.26 -1.41 116.67 121.50 3iwp s ASP 230 Ca 0.07 1.61 -0.26 0.00 0.43 0.00 0.00 52.55 54.41 3iwp s ASP 230 Cb -0.00 -2.54 -0.09 0.00 -0.30 0.00 0.00 42.92 39.99 3iwp s ASP 230 CO -0.02 -0.15 1.36 -0.55 -0.17 0.00 0.00 175.17 175.65 3iwp s SER 231 N 0.54 6.15 0.00 -0.34 0.15 -1.26 -4.76 113.70 114.18 3iwp s SER 231 Ca 0.47 2.79 0.12 0.00 0.70 0.00 0.00 55.95 60.03 3iwp s SER 231 Cb -0.21 -2.65 0.72 0.00 -1.71 0.00 0.00 66.02 62.17 3iwp s SER 231 CO 0.27 -0.98 1.19 0.61 1.20 0.00 0.00 173.24 175.53 3iwp n GLY 232 N 0.62 -0.60 3.66 9.45 0.00 -1.26 -4.84 105.19 112.22 3iwp n GLY 232 Ca 0.04 -0.08 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 3iwp n GLY 232 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3iwp s MET 233 N -2.00 4.16 0.00 1.61 -1.94 -1.26 -4.90 119.30 114.97 3iwp s MET 233 Ca 0.18 1.99 0.28 0.00 -1.71 0.00 0.00 55.69 56.43 3iwp s MET 233 Cb 0.08 -3.93 1.00 0.00 2.01 0.00 0.00 34.83 34.00 3iwp s MET 233 CO 0.14 -0.84 1.74 1.63 -0.01 0.00 0.00 175.02 177.67 3iwp n LYS 234 N 7.02 0.36 -3.71 2.03 5.02 -1.26 -4.77 118.16 122.85 3iwp n LYS 234 Ca 0.16 -0.14 -0.15 0.00 -2.02 0.00 0.00 58.31 56.17 3iwp n LYS 234 Cb 0.44 -1.50 -0.15 0.00 -0.02 0.00 0.00 35.03 33.80 3iwp n LYS 234 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 3iwp s PHE 235 N -2.73 -0.19 0.34 2.13 5.36 -1.26 -5.17 117.98 116.46 3iwp s PHE 235 Ca 0.20 0.57 0.03 0.00 -0.96 0.00 0.00 56.93 56.78 3iwp s PHE 235 Cb 0.19 -0.14 -0.04 0.00 -0.34 0.00 0.00 43.02 42.69 3iwp s PHE 235 CO 0.55 -0.22 0.12 0.50 -1.46 0.00 0.00 175.22 174.71 3iwp s ARG 236 N 1.62 1.71 0.00 10.12 3.52 -1.26 -5.18 118.95 129.48 3iwp s ARG 236 Ca -0.04 -1.99 0.00 0.00 -0.13 0.00 0.00 55.73 53.56 3iwp s ARG 236 Cb -0.12 -0.47 0.00 0.00 -1.56 0.00 0.00 34.95 32.81 3iwp s ARG 236 CO -0.06 -0.39 0.00 -1.71 -0.81 0.00 0.00 175.30 172.33 3iwp n ASN 237 N -0.96 0.79 -0.09 -2.12 2.85 -1.26 -5.09 115.26 109.38 3iwp n ASN 237 Ca -0.02 0.00 -0.10 0.00 -0.11 0.00 0.00 54.58 54.34 3iwp n ASN 237 Cb 0.65 0.00 -0.12 0.00 1.24 0.00 0.00 39.78 41.55 3iwp n ASN 237 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 3iwp n SER 238 N 0.00 1.37 -4.14 1.20 3.41 -1.26 -5.07 113.62 109.13 3iwp n SER 238 Ca 0.00 -0.04 -0.12 0.00 -0.26 0.00 0.00 58.87 58.45 3iwp n SER 238 Cb 0.00 0.49 -0.11 0.00 -0.26 0.00 0.00 64.21 64.34 3iwp n SER 238 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3iwp s SER 239 N -5.39 1.11 0.07 4.04 1.04 -1.26 -5.40 113.70 107.91 3iwp s SER 239 Ca -0.15 -0.84 -0.31 0.00 0.48 0.00 0.00 55.95 55.13 3iwp s SER 239 Cb 0.06 0.06 -0.07 0.00 0.10 0.00 0.00 66.02 66.17 3iwp s SER 239 CO 0.62 -0.35 1.34 -0.69 0.98 0.00 0.00 173.24 175.14 3iwp s VAL 240 N -2.76 3.60 0.00 5.02 1.01 -1.26 -5.27 120.40 120.73 3iwp s VAL 240 Ca 0.04 1.11 0.00 0.00 0.00 0.00 0.00 61.98 63.13 3iwp s VAL 240 Cb -0.01 -3.71 0.00 0.00 0.00 0.00 0.00 36.38 32.66 3iwp s VAL 240 CO -0.02 0.06 0.00 -1.54 0.00 0.00 0.00 175.10 173.60 3iwp n SER 252 N 4.31 -0.23 -4.05 3.32 3.41 -1.12 -5.26 113.62 114.00 3iwp n SER 252 Ca 0.11 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.59 3iwp n SER 252 Cb 0.44 -0.11 -0.12 0.00 -0.26 0.00 0.00 64.21 64.16 3iwp n SER 252 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3iwp s LEU 253 N -0.01 2.23 -0.63 1.04 1.43 -0.50 -4.84 118.68 117.40 3iwp s LEU 253 Ca 0.00 -0.50 0.06 0.00 -1.03 0.00 0.00 54.13 52.66 3iwp s LEU 253 Cb 0.00 -0.19 0.24 0.00 0.03 0.00 0.00 46.19 46.26 3iwp s LEU 253 CO 0.00 -0.16 0.68 0.29 0.23 0.00 0.00 176.35 177.39 3iwp n LYS 254 N 1.64 2.23 -2.69 1.70 5.02 -1.26 -0.79 118.16 124.02 3iwp n LYS 254 Ca -0.21 -4.50 -0.40 0.00 -2.02 0.00 0.00 58.31 51.17 3iwp n LYS 254 Cb 0.55 -2.17 -0.06 0.00 -0.02 0.00 0.00 35.03 33.34 3iwp n LYS 254 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3iwp s VAL 255 N -2.17 3.99 0.19 -0.18 1.01 -1.14 -4.76 120.40 117.34 3iwp s VAL 255 Ca 0.37 1.97 -0.30 0.00 0.00 0.00 0.00 61.98 64.02 3iwp s VAL 255 Cb 0.12 -4.25 -0.08 0.00 0.00 0.00 0.00 36.38 32.17 3iwp s VAL 255 CO -0.05 0.46 1.17 -0.89 0.00 0.00 0.00 175.10 175.78 3iwp s THR 256 N -1.07 3.62 -0.15 3.92 2.01 -1.26 -2.17 115.64 120.54 3iwp s THR 256 Ca 0.42 1.40 -0.17 0.00 0.31 0.00 0.00 61.69 63.65 3iwp s THR 256 Cb -0.27 -3.89 -0.04 0.00 0.01 0.00 0.00 72.50 68.31 3iwp s THR 256 CO 0.34 0.24 0.42 -1.81 -0.69 0.00 0.00 174.62 173.11 3iwp s ASP 257 N -0.02 6.57 0.07 3.53 1.11 0.16 -4.80 116.67 123.28 3iwp s ASP 257 Ca 0.51 0.68 -0.33 0.00 0.18 0.00 0.00 52.55 53.59 3iwp s ASP 257 Cb -0.32 -2.25 -0.19 0.00 1.07 0.00 0.00 42.92 41.23 3iwp s ASP 257 CO 0.37 0.00 1.59 0.58 1.18 0.00 0.00 175.17 178.89 3iwp h VAL 258 N 4.78 0.29 -0.61 -1.27 2.07 -1.87 -2.28 116.25 117.37 3iwp h VAL 258 Ca -0.40 -0.03 0.12 0.00 0.82 0.00 0.00 66.70 67.22 3iwp h VAL 258 Cb 1.17 0.30 -0.09 0.00 -1.52 0.00 0.00 31.29 31.14 3iwp h VAL 258 CO 0.75 0.00 0.09 0.00 0.02 0.00 0.00 177.57 178.43 3iwp h THR 259 N -0.98 0.59 -0.49 2.57 1.03 -1.94 0.18 112.91 113.86 3iwp h THR 259 Ca -0.10 -0.07 -0.08 0.00 -0.01 0.00 0.00 66.41 66.15 3iwp h THR 259 Cb 0.74 0.36 -0.02 0.00 -1.07 0.00 0.00 68.15 68.17 3iwp h THR 259 CO 0.16 0.04 0.01 0.11 -0.01 0.00 0.00 175.52 175.83 3iwp h LYS 260 N 0.21 0.87 -0.61 0.00 1.57 -1.87 -0.32 116.57 116.41 3iwp h LYS 260 Ca 0.32 -0.27 -0.07 0.00 -1.87 0.00 0.00 60.65 58.76 3iwp h LYS 260 Cb 0.50 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.70 3iwp h LYS 260 CO -0.44 0.90 0.12 0.28 -0.57 0.00 0.00 179.45 179.73 3iwp h VAL 261 N 0.73 1.25 -0.03 0.50 2.07 -0.77 -2.11 116.25 117.89 3iwp h VAL 261 Ca 0.14 -0.94 -0.20 0.00 0.82 0.00 0.00 66.70 66.51 3iwp h VAL 261 Cb 0.50 0.65 -0.00 0.00 -1.52 0.00 0.00 31.29 30.92 3iwp h VAL 261 CO 0.02 0.35 -0.83 -0.09 0.02 0.00 0.00 177.57 177.04 3iwp h ARG 262 N 0.93 0.38 -0.42 1.57 2.43 -0.47 -2.08 114.38 116.71 3iwp h ARG 262 Ca 0.19 -0.36 -0.07 0.00 -0.81 0.00 0.00 59.98 58.93 3iwp h ARG 262 Cb 0.37 0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.00 3iwp h ARG 262 CO 0.01 1.02 -0.03 1.15 -1.51 0.00 0.00 179.97 180.61 3iwp h THR 263 N 0.23 1.23 -0.04 0.20 2.02 -0.99 -2.07 112.91 113.50 3iwp h THR 263 Ca -0.05 -0.98 -0.05 0.00 0.77 0.00 0.00 66.41 66.09 3iwp h THR 263 Cb 1.44 0.94 -0.01 0.00 -1.74 0.00 0.00 68.15 68.79 3iwp h THR 263 CO 0.14 0.34 -0.22 -0.07 0.37 0.00 0.00 175.52 176.08 3iwp h LEU 264 N 0.65 0.05 0.21 2.58 3.38 -1.10 -2.22 115.31 118.86 3iwp h LEU 264 Ca 0.13 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 3iwp h LEU 264 Cb 0.45 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.18 3iwp h LEU 264 CO 0.02 0.28 -0.10 0.78 0.09 0.00 0.00 178.44 179.51 3iwp h ASN 265 N 0.05 -0.24 -0.63 -0.43 2.35 -0.84 -1.28 115.58 114.57 3iwp h ASN 265 Ca 0.01 -0.28 0.13 0.00 -0.55 0.00 0.00 56.30 55.61 3iwp h ASN 265 Cb 0.42 0.06 -0.10 0.00 0.05 0.00 0.00 38.32 38.76 3iwp h ASN 265 CO 0.03 0.21 0.07 0.00 -1.65 0.00 0.00 177.43 176.09 3iwp h ALA 266 N -0.15 0.69 -0.60 -0.83 0.00 -1.30 0.13 119.26 117.20 3iwp h ALA 266 Ca -0.03 0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 3iwp h ALA 266 Cb 0.50 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 3iwp h ALA 266 CO 0.05 -0.36 0.26 0.82 0.00 0.00 0.00 179.25 180.02 3iwp h ILE 267 N 0.18 1.21 -0.28 0.00 2.04 -1.45 -1.39 117.51 117.81 3iwp h ILE 267 Ca 0.33 -0.61 -0.06 0.00 1.00 0.00 0.00 64.86 65.52 3iwp h ILE 267 Cb 0.54 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 37.07 3iwp h ILE 267 CO -0.49 0.25 -0.06 0.00 0.00 0.00 0.00 178.15 177.85 3iwp h ALA 268 N 1.44 0.39 0.18 1.87 0.00 0.37 -3.35 119.26 120.17 3iwp h ALA 268 Ca 0.21 -0.27 -0.30 0.00 0.00 0.00 0.00 54.91 54.55 3iwp h ALA 268 Cb 0.13 -0.10 0.03 0.00 0.00 0.00 0.00 17.79 17.85 3iwp h ALA 268 CO -0.02 0.20 -1.28 0.87 0.00 0.00 0.00 179.25 179.01 3iwp h LYS 269 N 0.30 0.54 -2.68 0.00 1.57 -0.73 -3.32 116.57 112.26 3iwp h LYS 269 Ca 0.07 -0.83 -0.31 0.00 -1.87 0.00 0.00 60.65 57.71 3iwp h LYS 269 Cb 0.53 0.30 -0.02 0.00 0.08 0.00 0.00 32.23 33.12 3iwp h LYS 269 CO 0.03 1.39 1.31 0.09 -0.57 0.00 0.00 179.45 181.70 3iwp n ASN 270 N -3.82 5.22 0.00 0.86 3.02 -0.54 -5.02 115.26 114.99 3iwp n ASN 270 Ca -0.15 -2.33 0.00 0.00 -0.03 0.00 0.00 54.58 52.07 3iwp n ASN 270 Cb 1.01 -1.19 0.00 0.00 -0.61 0.00 0.00 39.78 39.00 3iwp n ASN 270 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64