#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 3.33 -0.05 1.61 0.40 -1.26 -4.99 117.98 117.02 3iwp s PHE 26 Ca 0.00 0.04 0.04 0.00 -0.60 0.00 0.00 56.93 56.41 3iwp s PHE 26 Cb 0.00 -1.87 -0.00 0.00 0.51 0.00 0.00 43.02 41.66 3iwp s PHE 26 CO 0.00 0.13 -0.18 -0.48 0.70 0.00 0.00 175.22 175.39 3iwp s LEU 27 N -4.19 1.92 -0.13 -0.37 2.34 -0.68 -5.03 118.68 112.54 3iwp s LEU 27 Ca 0.40 -0.38 -0.05 0.00 0.06 0.00 0.00 54.13 54.17 3iwp s LEU 27 Cb -0.09 -1.04 -0.04 0.00 -0.56 0.00 0.00 46.19 44.46 3iwp s LEU 27 CO 0.32 0.15 0.03 -0.32 -1.06 0.00 0.00 176.35 175.47 3iwp s MET 28 N 0.10 3.48 0.06 1.48 -2.45 -1.26 -2.09 119.30 118.62 3iwp s MET 28 Ca -0.06 -0.38 0.06 0.00 -1.25 0.00 0.00 55.69 54.06 3iwp s MET 28 Cb -0.13 -2.99 -0.04 0.00 1.25 0.00 0.00 34.83 32.92 3iwp s MET 28 CO 0.03 0.49 -0.11 -2.00 1.05 0.00 0.00 175.02 174.47 3iwp s GLU 29 N -0.26 2.24 -0.04 4.11 2.12 -0.31 -1.37 118.70 125.19 3iwp s GLU 29 Ca 0.07 -0.92 -0.02 0.00 0.36 0.00 0.00 54.97 54.46 3iwp s GLU 29 Cb -0.12 -2.33 0.03 0.00 0.26 0.00 0.00 34.13 31.97 3iwp s GLU 29 CO 0.02 0.54 0.07 0.08 -0.54 0.00 0.00 175.26 175.43 3iwp s VAL 30 N -1.08 -0.11 0.39 3.70 1.01 -0.81 -2.13 120.40 121.38 3iwp s VAL 30 Ca 0.18 0.34 -0.26 0.00 0.00 0.00 0.00 61.98 62.24 3iwp s VAL 30 Cb -0.11 -0.15 -0.09 0.00 0.00 0.00 0.00 36.38 36.04 3iwp s VAL 30 CO 0.10 0.14 1.25 0.00 0.00 0.00 0.00 175.10 176.58 3iwp s VAL 32 N -1.29 0.10 -0.02 0.00 1.01 0.39 -4.89 120.40 115.71 3iwp s VAL 32 Ca 0.55 -0.81 0.05 0.00 0.00 0.00 0.00 61.98 61.76 3iwp s VAL 32 Cb -0.35 -0.75 -0.07 0.00 0.00 0.00 0.00 36.38 35.21 3iwp s VAL 32 CO 0.46 -0.45 0.07 -0.67 0.00 0.00 0.00 175.10 174.51 3iwp n ASP 33 N 0.96 3.86 -3.89 3.32 -0.08 -1.26 -0.58 116.55 118.89 3iwp n ASP 33 Ca -0.20 0.00 -0.10 0.00 -1.51 0.00 0.00 54.79 52.98 3iwp n ASP 33 Cb 0.58 0.97 -0.06 0.00 2.34 0.00 0.00 41.12 44.95 3iwp n ASP 33 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 3iwp s SER 34 N -2.99 0.09 0.20 1.67 1.04 -1.26 -4.93 113.70 107.51 3iwp s SER 34 Ca -0.02 -1.08 -0.07 0.00 0.48 0.00 0.00 55.95 55.26 3iwp s SER 34 Cb 0.02 0.58 0.13 0.00 0.10 0.00 0.00 66.02 66.85 3iwp s SER 34 CO 0.20 -1.14 1.66 0.58 0.98 0.00 0.00 173.24 175.52 3iwp h VAL 35 N 2.27 1.26 -0.40 5.02 2.07 -1.98 -2.69 116.25 121.80 3iwp h VAL 35 Ca -0.28 -1.17 0.05 0.00 0.82 0.00 0.00 66.70 66.13 3iwp h VAL 35 Cb 1.25 0.87 -0.05 0.00 -1.52 0.00 0.00 31.29 31.84 3iwp h VAL 35 CO 0.38 0.42 0.14 -0.08 0.02 0.00 0.00 177.57 178.45 3iwp h GLU 36 N 0.90 0.29 -0.07 1.57 4.81 -1.99 -0.45 114.58 119.63 3iwp h GLU 36 Ca 0.16 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.37 3iwp h GLU 36 Cb 0.58 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.89 3iwp h GLU 36 CO 0.03 0.19 0.04 0.77 -0.73 0.00 0.00 179.01 179.31 3iwp h SER 37 N 0.30 0.09 -0.38 1.04 0.02 -1.86 0.44 113.55 113.21 3iwp h SER 37 Ca 0.19 -0.09 0.07 0.00 -0.84 0.00 0.00 61.79 61.12 3iwp h SER 37 Cb 0.18 -0.02 -0.07 0.00 0.14 0.00 0.00 62.40 62.62 3iwp h SER 37 CO -0.20 0.16 -0.07 0.00 -1.14 0.00 0.00 176.83 175.59 3iwp h ALA 38 N 0.94 0.28 0.50 3.77 0.00 -1.10 0.61 119.26 124.25 3iwp h ALA 38 Ca 0.03 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 3iwp h ALA 38 Cb 0.09 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 3iwp h ALA 38 CO -0.00 -0.44 -0.29 0.28 0.00 0.00 0.00 179.25 178.80 3iwp h VAL 39 N 0.03 0.40 -0.61 0.00 2.07 -0.84 -0.65 116.25 116.64 3iwp h VAL 39 Ca 0.18 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.83 3iwp h VAL 39 Cb 0.27 0.40 -0.10 0.00 -1.52 0.00 0.00 31.29 30.35 3iwp h VAL 39 CO -0.37 0.00 0.05 0.78 0.02 0.00 0.00 177.57 178.05 3iwp h ASN 40 N -0.74 -0.17 -0.20 0.57 4.21 -0.48 -0.34 115.58 118.42 3iwp h ASN 40 Ca -0.06 0.14 0.02 0.00 1.21 0.00 0.00 56.30 57.61 3iwp h ASN 40 Cb 0.60 0.23 -0.02 0.00 -1.12 0.00 0.00 38.32 38.01 3iwp h ASN 40 CO 0.07 -0.07 0.07 0.00 -1.29 0.00 0.00 177.43 176.20 3iwp h ALA 41 N 1.53 0.22 -0.25 -0.83 0.00 0.52 -0.87 119.26 119.58 3iwp h ALA 41 Ca 0.32 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.27 3iwp h ALA 41 Cb 0.51 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 3iwp h ALA 41 CO -0.48 -0.36 0.13 1.49 0.00 0.00 0.00 179.25 180.03 3iwp h GLU 42 N 0.16 0.27 0.00 0.00 4.81 0.21 -1.86 114.58 118.16 3iwp h GLU 42 Ca 0.09 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 3iwp h GLU 42 Cb 0.06 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.38 3iwp h GLU 42 CO -0.09 0.18 0.00 0.07 -0.73 0.00 0.00 179.01 178.43 3iwp h ARG 43 N 0.27 0.00 -0.01 1.92 0.11 -0.88 -1.49 114.38 114.31 3iwp h ARG 43 Ca 0.10 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.18 3iwp h ARG 43 Cb 0.02 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.10 3iwp h ARG 43 CO -0.07 0.00 0.00 0.41 0.10 0.00 0.00 179.97 180.41 3iwp n GLY 44 N 0.31 -0.64 0.02 0.08 0.00 -0.35 -4.92 105.19 99.69 3iwp n GLY 44 Ca 0.01 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.75 3iwp n GLY 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iwp n GLY 45 N 1.06 0.99 3.78 -0.02 0.00 -0.56 -2.75 105.19 107.69 3iwp n GLY 45 Ca 0.22 -0.01 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 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 3.03 -0.19 4.61 0.00 -0.74 -4.90 121.76 121.58 3iwp s ALA 46 Ca 0.00 0.78 0.22 0.00 0.00 0.00 0.00 51.96 52.97 3iwp s ALA 46 Cb 0.00 -3.31 -0.08 0.00 0.00 0.00 0.00 23.12 19.73 3iwp s ALA 46 CO 0.00 -0.38 0.91 -0.25 0.00 0.00 0.00 175.76 176.04 3iwp n ASP 47 N -0.27 0.67 -3.62 0.00 8.00 -0.47 -4.74 116.55 116.12 3iwp n ASP 47 Ca 0.06 0.26 -0.14 0.00 0.71 0.00 0.00 54.79 55.69 3iwp n ASP 47 Cb 0.49 0.75 -0.07 0.00 -0.02 0.00 0.00 41.12 42.28 3iwp n ASP 47 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 3iwp s ARG 48 N -3.37 0.81 0.03 -1.24 3.52 -1.05 -4.26 118.95 113.39 3iwp s ARG 48 Ca -0.02 0.87 0.06 0.00 -0.13 0.00 0.00 55.73 56.51 3iwp s ARG 48 Cb 0.10 0.39 -0.03 0.00 -1.56 0.00 0.00 34.95 33.85 3iwp s ARG 48 CO 0.82 -0.11 -0.17 0.96 -0.81 0.00 0.00 175.30 175.98 3iwp s ILE 49 N 0.20 2.85 -0.13 4.11 -4.36 -0.89 -1.93 121.20 121.06 3iwp s ILE 49 Ca -0.00 -1.11 -0.05 0.00 -0.26 0.00 0.00 60.65 59.22 3iwp s ILE 49 Cb -0.05 -2.19 -0.04 0.00 1.25 0.00 0.00 42.46 41.44 3iwp s ILE 49 CO 0.01 0.37 0.07 -0.70 0.24 0.00 0.00 174.94 174.93 3iwp s GLU 50 N -1.34 3.46 -0.29 0.37 2.12 0.18 0.38 118.70 123.59 3iwp s GLU 50 Ca 0.14 -0.29 -0.11 0.00 0.36 0.00 0.00 54.97 55.07 3iwp s GLU 50 Cb -0.11 -3.06 -0.05 0.00 0.26 0.00 0.00 34.13 31.18 3iwp s GLU 50 CO 0.05 0.59 0.19 -1.17 -0.54 0.00 0.00 175.26 174.38 3iwp s LEU 51 N -0.53 4.07 0.05 2.70 0.20 0.82 -0.46 118.68 125.54 3iwp s LEU 51 Ca 0.11 -0.05 0.06 0.00 0.69 0.00 0.00 54.13 54.93 3iwp s LEU 51 Cb -0.12 -2.12 -0.03 0.00 -0.43 0.00 0.00 46.19 43.50 3iwp s LEU 51 CO 0.02 -0.07 -0.18 0.00 -0.29 0.00 0.00 176.35 175.83 3iwp s SER 53 N -1.31 5.36 -1.41 0.00 0.15 0.20 -4.18 113.70 112.51 3iwp s SER 53 Ca 0.04 -0.59 -0.06 0.00 0.70 0.00 0.00 55.95 56.04 3iwp s SER 53 Cb -0.09 -0.55 0.04 0.00 -1.71 0.00 0.00 66.02 63.71 3iwp s SER 53 CO 0.02 -0.76 0.84 0.61 1.20 0.00 0.00 173.24 175.16 3iwp n GLY 54 N -1.75 -0.39 0.26 9.45 0.00 -1.26 0.24 105.19 111.74 3iwp n GLY 54 Ca 0.06 0.16 0.02 0.00 0.00 0.00 0.00 46.02 46.27 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 -2.00 0.29 -0.61 0.99 3.38 -1.91 0.76 115.31 116.21 3iwp h LEU 55 Ca -0.60 0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.46 3iwp h LEU 55 Cb 1.37 0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.17 3iwp h LEU 55 CO 0.61 0.14 0.16 -1.54 0.09 0.00 0.00 178.44 177.91 3iwp n SER 56 N -4.98 0.24 -0.34 -0.43 3.41 -1.26 0.68 113.62 110.95 3iwp n SER 56 Ca 0.11 0.52 0.07 0.00 -0.26 0.00 0.00 58.87 59.31 3iwp n SER 56 Cb 0.33 -0.51 0.14 0.00 -0.26 0.00 0.00 64.21 63.91 3iwp n SER 56 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3iwp n GLU 57 N -1.79 2.26 -0.63 4.33 1.02 0.04 -4.96 120.64 120.90 3iwp n GLU 57 Ca -0.01 -2.36 0.00 0.00 -0.02 0.00 0.00 57.16 54.78 3iwp n GLU 57 Cb 0.18 -1.46 0.00 0.00 -0.02 0.00 0.00 31.44 30.14 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 -0.77 0.80 0.00 0.62 0.00 0.22 -4.70 105.19 101.35 3iwp n GLY 58 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.07 2.37 3.55 -0.02 0.00 0.04 -4.91 105.19 104.15 3iwp n GLY 59 Ca 0.00 -1.14 -0.25 0.00 0.00 0.00 0.00 46.02 44.64 3iwp n GLY 59 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3iwp s THR 60 N 0.00 2.53 0.04 2.61 2.01 0.67 -4.83 115.64 118.68 3iwp s THR 60 Ca 0.00 -2.18 -0.30 0.00 0.31 0.00 0.00 61.69 59.52 3iwp s THR 60 Cb 0.00 -2.60 -0.08 0.00 0.01 0.00 0.00 72.50 69.83 3iwp s THR 60 CO 0.00 -0.28 1.63 0.28 -0.69 0.00 0.00 174.62 175.56 3iwp s THR 61 N -2.53 3.20 0.75 -0.82 -1.32 -0.01 0.59 115.64 115.49 3iwp s THR 61 Ca 0.32 0.58 -0.11 0.00 -1.21 0.00 0.00 61.69 61.27 3iwp s THR 61 Cb -0.01 -3.38 0.04 0.00 -1.51 0.00 0.00 72.50 67.64 3iwp s THR 61 CO 0.17 -0.01 1.10 -2.16 -2.21 0.00 0.00 174.62 171.51 3iwp s PRO 62 N 2.83 2.51 1.04 7.08 0.04 -1.26 -4.61 135.00 142.62 3iwp s PRO 62 Ca 0.73 0.51 -0.12 0.00 0.04 0.00 0.00 61.00 62.16 3iwp s PRO 62 Cb -0.38 -1.98 0.21 0.00 0.04 0.00 0.00 34.50 32.40 3iwp s PRO 62 CO 0.31 -1.30 1.07 -1.54 0.04 0.00 0.00 177.00 175.59 3iwp s SER 63 N -4.19 2.13 0.29 6.66 1.04 -1.26 -4.94 113.70 113.43 3iwp s SER 63 Ca 0.59 1.39 0.23 0.00 0.48 0.00 0.00 55.95 58.64 3iwp s SER 63 Cb -0.12 -2.09 0.18 0.00 0.10 0.00 0.00 66.02 64.08 3iwp s SER 63 CO 0.53 -3.47 1.30 -0.03 0.98 0.00 0.00 173.24 172.55 3iwp h MET 64 N -2.12 0.00 -0.07 4.02 4.05 -1.99 -3.28 114.93 115.54 3iwp h MET 64 Ca -0.56 0.00 -0.12 0.00 -0.28 0.00 0.00 59.70 58.74 3iwp h MET 64 Cb 1.32 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 32.11 3iwp h MET 64 CO 0.54 0.00 -0.50 0.78 0.23 0.00 0.00 176.91 177.96 3iwp h GLY 65 N 4.05 0.19 0.82 1.39 0.00 -1.99 -1.84 103.07 105.68 3iwp h GLY 65 Ca 0.00 -0.20 -0.06 0.00 0.00 0.00 0.00 47.33 47.07 3iwp h GLY 65 CO 0.00 0.18 -0.08 -2.08 0.00 0.00 0.00 176.54 174.56 3iwp h VAL 66 N 0.14 1.30 -0.22 4.60 2.07 -1.95 -2.25 116.25 119.94 3iwp h VAL 66 Ca 0.00 -1.12 0.05 0.00 0.82 0.00 0.00 66.70 66.45 3iwp h VAL 66 Cb 0.93 1.58 -0.07 0.00 -1.52 0.00 0.00 31.29 32.21 3iwp h VAL 66 CO 0.07 0.34 -0.42 0.25 0.02 0.00 0.00 177.57 177.83 3iwp h LEU 67 N 0.15 -1.35 -0.13 2.57 6.46 -1.61 0.28 115.31 121.68 3iwp h LEU 67 Ca 0.05 0.19 0.03 0.00 -0.12 0.00 0.00 57.88 58.03 3iwp h LEU 67 Cb 0.56 0.57 -0.02 0.00 -0.73 0.00 0.00 40.66 41.03 3iwp h LEU 67 CO 0.03 -0.41 -0.03 1.56 -0.62 0.00 0.00 178.44 178.97 3iwp h GLN 68 N -0.43 -0.00 -0.31 1.25 4.20 -1.22 0.62 115.11 119.21 3iwp h GLN 68 Ca 0.10 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.76 3iwp h GLN 68 Cb 0.61 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.38 3iwp h GLN 68 CO -0.46 -0.00 0.00 0.28 -0.67 0.00 0.00 178.83 177.98 3iwp h VAL 69 N -0.00 1.26 -0.81 -0.54 2.07 -1.16 -2.25 116.25 114.82 3iwp h VAL 69 Ca 0.06 -0.94 0.03 0.00 0.82 0.00 0.00 66.70 66.67 3iwp h VAL 69 Cb 0.10 1.27 -0.05 0.00 -1.52 0.00 0.00 31.29 31.09 3iwp h VAL 69 CO -0.13 0.31 0.52 0.58 0.02 0.00 0.00 177.57 178.86 3iwp h VAL 70 N 0.34 1.13 0.00 2.57 2.07 0.19 0.37 116.25 122.91 3iwp h VAL 70 Ca 0.09 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.26 3iwp h VAL 70 Cb 0.44 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.23 3iwp h VAL 70 CO 0.02 0.18 0.00 0.50 0.02 0.00 0.00 177.57 178.29 3iwp h LYS 71 N 1.01 0.00 -0.00 1.57 1.63 0.52 -0.40 116.57 120.90 3iwp h LYS 71 Ca 0.32 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.12 3iwp h LYS 71 Cb 0.01 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.64 3iwp h LYS 71 CO -0.11 0.00 -0.69 1.04 -3.45 0.00 0.00 179.45 176.24 3iwp n GLN 72 N -2.51 0.40 0.00 1.90 1.13 0.12 -4.40 117.38 114.03 3iwp n GLN 72 Ca 0.00 -0.31 0.07 0.00 -1.94 0.00 0.00 57.00 54.82 3iwp n GLN 72 Cb 0.16 -1.49 0.04 0.00 0.11 0.00 0.00 30.24 29.06 3iwp n GLN 72 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 3iwp n SER 73 N -1.03 1.94 -3.76 1.08 7.64 -0.17 -5.01 113.62 114.31 3iwp n SER 73 Ca 0.07 -1.47 -0.13 0.00 1.01 0.00 0.00 58.87 58.35 3iwp n SER 73 Cb 0.37 0.13 -0.11 0.00 -1.01 0.00 0.00 64.21 63.59 3iwp n SER 73 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3iwp s VAL 74 N -1.26 0.00 -0.86 0.44 1.01 -1.12 -4.88 120.40 113.72 3iwp s VAL 74 Ca 0.14 -0.02 0.21 0.00 0.00 0.00 0.00 61.98 62.32 3iwp s VAL 74 Cb 0.11 -0.47 -0.23 0.00 0.00 0.00 0.00 36.38 35.79 3iwp s VAL 74 CO 0.21 -0.01 0.87 0.00 0.00 0.00 0.00 175.10 176.17 3iwp n GLN 75 N 2.83 0.09 -2.57 2.72 3.00 -1.26 -4.83 117.38 117.35 3iwp n GLN 75 Ca -0.13 -0.03 -0.31 0.00 -0.01 0.00 0.00 57.00 56.52 3iwp n GLN 75 Cb 0.58 -1.51 -0.03 0.00 0.00 0.00 0.00 30.24 29.28 3iwp n GLN 75 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.06 178.02 3iwp s ILE 76 N -3.07 4.66 0.52 5.09 -4.36 -1.26 -5.00 121.20 117.78 3iwp s ILE 76 Ca 0.06 0.91 -0.22 0.00 -0.26 0.00 0.00 60.65 61.14 3iwp s ILE 76 Cb 0.16 -3.74 -0.07 0.00 1.25 0.00 0.00 42.46 40.06 3iwp s ILE 76 CO 0.87 -0.65 1.19 -2.65 0.24 0.00 0.00 174.94 173.94 3iwp n PRO 77 N -1.54 1.49 -3.88 0.37 -0.02 -1.26 -4.83 135.00 125.33 3iwp n PRO 77 Ca 0.05 0.54 -0.30 0.00 -2.02 0.00 0.00 63.50 61.77 3iwp n PRO 77 Cb 0.54 -2.35 -0.15 0.00 -0.02 0.00 0.00 33.50 31.52 3iwp n PRO 77 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3iwp s VAL 78 N -1.33 1.39 0.29 -1.45 1.01 -1.26 -2.09 120.40 116.97 3iwp s VAL 78 Ca 0.69 -1.42 -0.14 0.00 0.00 0.00 0.00 61.98 61.11 3iwp s VAL 78 Cb -0.46 -1.86 -0.08 0.00 0.00 0.00 0.00 36.38 33.98 3iwp s VAL 78 CO 0.52 -0.36 0.69 -0.36 0.00 0.00 0.00 175.10 175.59 3iwp s PHE 79 N 1.41 3.42 -0.05 5.22 2.99 0.16 -1.09 117.98 130.03 3iwp s PHE 79 Ca 0.02 1.16 0.06 0.00 0.00 0.00 0.00 56.93 58.18 3iwp s PHE 79 Cb -0.18 -2.49 -0.01 0.00 0.00 0.00 0.00 43.02 40.34 3iwp s PHE 79 CO -0.12 0.16 -0.25 0.08 -0.00 0.00 0.00 175.22 175.10 3iwp s VAL 80 N -1.89 2.11 0.12 -0.44 1.01 -0.34 -0.12 120.40 120.85 3iwp s VAL 80 Ca 0.51 -1.06 -0.28 0.00 0.00 0.00 0.00 61.98 61.15 3iwp s VAL 80 Cb -0.11 -1.76 -0.06 0.00 0.00 0.00 0.00 36.38 34.45 3iwp s VAL 80 CO 0.18 0.57 0.88 -0.04 0.00 0.00 0.00 175.10 176.70 3iwp s MET 81 N -0.25 4.65 -0.34 2.72 -1.94 -0.96 -1.03 119.30 122.16 3iwp s MET 81 Ca -0.01 1.32 0.02 0.00 -1.71 0.00 0.00 55.69 55.31 3iwp s MET 81 Cb -0.13 -3.35 0.10 0.00 2.01 0.00 0.00 34.83 33.47 3iwp s MET 81 CO 0.03 0.32 0.08 0.42 -0.01 0.00 0.00 175.02 175.86 3iwp s ILE 82 N -0.32 1.62 -0.29 2.53 1.01 0.53 -4.10 121.20 122.20 3iwp s ILE 82 Ca 0.42 -1.96 -0.02 0.00 0.00 0.00 0.00 60.65 59.09 3iwp s ILE 82 Cb -0.23 -2.21 0.17 0.00 0.01 0.00 0.00 42.46 40.21 3iwp s ILE 82 CO 0.28 -0.65 0.56 -0.60 0.00 0.00 0.00 174.94 174.53 3iwp s ARG 83 N 1.17 0.53 0.00 2.79 3.52 -1.26 -4.50 118.95 121.20 3iwp s ARG 83 Ca 0.11 0.98 0.29 0.00 -0.13 0.00 0.00 55.73 56.99 3iwp s ARG 83 Cb -0.19 0.42 1.37 0.00 -1.56 0.00 0.00 34.95 35.00 3iwp s ARG 83 CO -0.15 -0.57 1.93 -0.35 -0.81 0.00 0.00 175.30 175.35 3iwp n PRO 84 N 5.42 1.13 -3.61 5.12 -0.04 -1.26 -0.83 135.00 140.93 3iwp n PRO 84 Ca -0.03 -0.42 -0.01 0.00 -0.04 0.00 0.00 63.50 63.00 3iwp n PRO 84 Cb 0.51 -1.49 -0.01 0.00 -0.04 0.00 0.00 33.50 32.46 3iwp n PRO 84 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 3iwp s ARG 85 N -2.16 0.37 0.54 0.54 1.70 -1.26 -4.95 118.95 113.73 3iwp s ARG 85 Ca 0.38 -0.18 -0.09 0.00 -0.47 0.00 0.00 55.73 55.37 3iwp s ARG 85 Cb 0.21 0.14 0.13 0.00 -0.57 0.00 0.00 34.95 34.86 3iwp s ARG 85 CO 0.39 -0.17 0.56 0.41 -1.08 0.00 0.00 175.30 175.42 3iwp n GLY 86 N -0.30 -2.13 4.69 3.88 0.00 -1.26 -4.91 105.19 105.14 3iwp n GLY 86 Ca -0.04 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.43 3iwp n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iwp n GLY 87 N -0.30 -1.10 3.48 -0.02 0.00 -1.26 -4.99 105.19 101.01 3iwp n GLY 87 Ca 0.07 -1.47 -0.31 0.00 0.00 0.00 0.00 46.02 44.32 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 -0.06 -0.26 1.61 3.84 -1.26 -4.97 116.67 111.57 3iwp s ASP 88 Ca 0.00 0.58 0.12 0.00 -0.00 0.00 0.00 52.55 53.24 3iwp s ASP 88 Cb 0.00 -0.75 0.46 0.00 -1.38 0.00 0.00 42.92 41.25 3iwp s ASP 88 CO 0.00 -4.72 1.18 0.49 -0.00 0.00 0.00 175.17 172.12 3iwp n PHE 89 N -5.16 1.86 -3.60 2.11 3.01 -1.26 -4.90 117.46 109.53 3iwp n PHE 89 Ca 0.15 -2.00 -0.40 0.00 1.01 0.00 0.00 57.45 56.22 3iwp n PHE 89 Cb 0.60 -0.29 -0.08 0.00 -0.01 0.00 0.00 39.48 39.70 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 -3.39 5.68 -0.01 4.37 0.20 -1.26 -0.98 118.68 123.28 3iwp s LEU 90 Ca 0.43 -2.53 -0.14 0.00 0.69 0.00 0.00 54.13 52.59 3iwp s LEU 90 Cb 0.38 -1.97 -0.05 0.00 -0.43 0.00 0.00 46.19 44.12 3iwp s LEU 90 CO -0.00 -0.51 0.38 -0.31 -0.29 0.00 0.00 176.35 175.62 3iwp s TYR 91 N 0.43 3.71 0.89 5.38 2.02 -1.26 -5.07 117.35 123.44 3iwp s TYR 91 Ca 0.14 0.95 -0.13 0.00 -0.37 0.00 0.00 57.07 57.65 3iwp s TYR 91 Cb -0.20 -2.26 0.13 0.00 -0.40 0.00 0.00 41.96 39.23 3iwp s TYR 91 CO -0.04 0.64 1.21 -1.54 -1.57 0.00 0.00 175.55 174.25 3iwp s SER 92 N -1.03 3.79 0.19 2.29 1.04 -1.26 -4.78 113.70 113.94 3iwp s SER 92 Ca 0.23 0.67 -0.11 0.00 0.48 0.00 0.00 55.95 57.21 3iwp s SER 92 Cb -0.16 -1.04 0.15 0.00 0.10 0.00 0.00 66.02 65.07 3iwp s SER 92 CO 0.12 -2.35 1.83 0.44 0.98 0.00 0.00 173.24 174.26 3iwp h ASP 93 N -1.37 0.61 0.69 7.02 3.45 -1.99 0.69 116.42 125.52 3iwp h ASP 93 Ca -0.46 0.00 -0.05 0.00 0.43 0.00 0.00 57.03 56.96 3iwp h ASP 93 Cb 1.30 -0.13 -0.01 0.00 -0.56 0.00 0.00 39.33 39.94 3iwp h ASP 93 CO 0.56 0.42 -0.21 0.03 -1.57 0.00 0.00 179.24 178.47 3iwp h ARG 94 N 0.74 0.00 0.13 3.56 3.08 -1.99 -0.59 114.38 119.31 3iwp h ARG 94 Ca 0.25 0.00 -0.30 0.00 0.07 0.00 0.00 59.98 60.00 3iwp h ARG 94 Cb 0.03 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.11 3iwp h ARG 94 CO -0.11 0.21 -1.27 0.93 -1.07 0.00 0.00 179.97 178.67 3iwp h GLU 95 N 0.00 0.59 -0.13 0.04 5.08 -1.70 -2.90 114.58 115.56 3iwp h GLU 95 Ca -0.00 -0.82 -0.11 0.00 -1.00 0.00 0.00 59.36 57.43 3iwp h GLU 95 Cb 0.62 0.27 -0.01 0.00 0.50 0.00 0.00 28.75 30.13 3iwp h GLU 95 CO 0.03 1.37 -0.40 -0.84 -1.00 0.00 0.00 179.01 178.17 3iwp h ILE 96 N 0.25 1.31 0.00 3.13 3.07 -0.48 -1.50 117.51 123.28 3iwp h ILE 96 Ca -0.19 -1.51 -0.04 0.00 1.55 0.00 0.00 64.86 64.66 3iwp h ILE 96 Cb 1.94 1.65 -0.01 0.00 -0.27 0.00 0.00 36.82 40.13 3iwp h ILE 96 CO 0.24 0.46 -0.21 1.05 -1.05 0.00 0.00 178.15 178.64 3iwp h GLU 97 N 0.25 0.00 -0.13 0.16 4.11 -1.18 -0.10 114.58 117.69 3iwp h GLU 97 Ca 0.02 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.37 3iwp h GLU 97 Cb 0.82 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.07 3iwp h GLU 97 CO 0.07 0.21 -0.24 0.28 0.07 0.00 0.00 179.01 179.39 3iwp h VAL 98 N 0.00 1.37 -0.42 -1.06 2.07 -1.24 -2.68 116.25 114.30 3iwp h VAL 98 Ca -0.00 -1.51 0.04 0.00 0.82 0.00 0.00 66.70 66.05 3iwp h VAL 98 Cb 0.57 2.05 -0.04 0.00 -1.52 0.00 0.00 31.29 32.34 3iwp h VAL 98 CO 0.03 0.44 0.18 0.24 0.02 0.00 0.00 177.57 178.48 3iwp h MET 99 N -0.02 0.36 -0.91 1.57 2.86 -0.89 -1.47 114.93 116.43 3iwp h MET 99 Ca 0.01 -0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.63 3iwp h MET 99 Cb 0.83 -0.08 -0.05 0.00 0.06 0.00 0.00 31.60 32.37 3iwp h MET 99 CO 0.05 0.24 0.60 0.87 1.06 0.00 0.00 176.91 179.73 3iwp h LYS 100 N 0.37 1.18 -0.26 1.72 1.57 -1.04 0.08 116.57 120.19 3iwp h LYS 100 Ca 0.19 -0.07 -0.09 0.00 -1.87 0.00 0.00 60.65 58.80 3iwp h LYS 100 Cb 0.13 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 3iwp h LYS 100 CO -0.16 0.78 -0.20 0.00 -0.57 0.00 0.00 179.45 179.30 3iwp h ALA 101 N 1.44 0.38 -0.47 3.86 0.00 -1.13 -2.79 119.26 120.54 3iwp h ALA 101 Ca 0.33 -0.36 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 3iwp h ALA 101 Cb -0.13 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3iwp h ALA 101 CO -0.07 0.32 0.07 -0.44 0.00 0.00 0.00 179.25 179.12 3iwp h ASP 102 N 0.33 0.70 -0.35 0.00 3.32 -0.90 -2.00 116.42 117.51 3iwp h ASP 102 Ca 0.05 -0.13 -0.00 0.00 0.02 0.00 0.00 57.03 56.96 3iwp h ASP 102 Cb 0.74 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.09 3iwp h ASP 102 CO 0.05 0.72 0.21 0.40 -1.72 0.00 0.00 179.24 178.91 3iwp h ILE 103 N 0.71 1.12 -0.53 0.35 2.04 -0.87 0.49 117.51 120.83 3iwp h ILE 103 Ca 0.15 -0.29 -0.02 0.00 1.00 0.00 0.00 64.86 65.71 3iwp h ILE 103 Cb 0.34 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 3iwp h ILE 103 CO 0.01 0.12 0.25 0.03 0.00 0.00 0.00 178.15 178.56 3iwp h ARG 104 N 0.46 0.76 -0.60 2.37 3.08 -1.21 -1.44 114.38 117.80 3iwp h ARG 104 Ca 0.13 -0.11 -0.05 0.00 0.07 0.00 0.00 59.98 60.01 3iwp h ARG 104 Cb 0.01 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 29.90 3iwp h ARG 104 CO -0.02 0.63 0.16 -0.07 -1.07 0.00 0.00 179.97 179.60 3iwp h LEU 105 N 0.70 0.86 -0.65 3.04 4.07 -1.26 -0.20 115.31 121.88 3iwp h LEU 105 Ca 0.18 -0.16 -0.11 0.00 0.08 0.00 0.00 57.88 57.88 3iwp h LEU 105 Cb 0.12 -0.23 -0.02 0.00 1.08 0.00 0.00 40.66 41.62 3iwp h LEU 105 CO -0.02 0.83 -0.09 0.00 -1.08 0.00 0.00 178.44 178.07 3iwp h ALA 106 N 1.28 0.85 0.67 1.53 0.00 -0.50 0.11 119.26 123.20 3iwp h ALA 106 Ca 0.20 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 3iwp h ALA 106 Cb 0.30 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 17.90 3iwp h ALA 106 CO -0.00 0.65 -0.32 0.87 0.00 0.00 0.00 179.25 180.45 3iwp h LYS 107 N 0.86 -0.86 -0.88 0.00 1.79 -0.98 -0.90 116.57 115.60 3iwp h LYS 107 Ca 0.14 0.06 0.23 0.00 -2.18 0.00 0.00 60.65 58.90 3iwp h LYS 107 Cb 0.64 0.20 -0.15 0.00 -1.58 0.00 0.00 32.23 31.33 3iwp h LYS 107 CO 0.04 -0.57 0.08 1.25 -1.08 0.00 0.00 179.45 179.18 3iwp h LEU 108 N -0.92 -0.29 -1.28 2.94 6.46 -0.85 -1.29 115.31 120.08 3iwp h LEU 108 Ca -0.09 0.23 0.00 0.00 -0.12 0.00 0.00 57.88 57.90 3iwp h LEU 108 Cb 0.69 0.37 0.00 0.00 -0.73 0.00 0.00 40.66 41.00 3iwp h LEU 108 CO 0.15 -0.24 0.00 -1.22 -0.62 0.00 0.00 178.44 176.51 3iwp n TYR 109 N -5.36 0.23 0.00 1.25 4.02 0.38 -4.93 117.16 112.75 3iwp n TYR 109 Ca 0.19 -0.11 0.00 0.00 -0.01 0.00 0.00 57.90 57.97 3iwp n TYR 109 Cb 0.64 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.96 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 1.19 1.38 3.68 2.72 0.00 -0.48 -4.61 105.19 109.06 3iwp n GLY 110 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 3iwp n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iwp n ALA 111 N -0.51 0.92 0.60 4.61 0.00 -0.40 -4.89 120.51 120.84 3iwp n ALA 111 Ca 0.00 0.15 0.07 0.00 0.00 0.00 0.00 53.44 53.66 3iwp n ALA 111 Cb 0.00 -2.22 0.04 0.00 0.00 0.00 0.00 19.45 17.27 3iwp n ALA 111 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3iwp n ASP 112 N -0.34 2.02 -3.60 0.00 8.00 -0.25 -4.84 116.55 117.53 3iwp n ASP 112 Ca 0.10 -1.51 -0.03 0.00 0.71 0.00 0.00 54.79 54.06 3iwp n ASP 112 Cb 0.43 0.12 -0.02 0.00 -0.02 0.00 0.00 41.12 41.63 3iwp n ASP 112 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3iwp s GLY 113 N -1.33 -0.34 0.09 0.44 0.00 -1.25 -4.32 107.32 100.62 3iwp s GLY 113 Ca 0.15 1.20 0.06 0.00 0.00 0.00 0.00 44.72 46.13 3iwp s GLY 113 CO 0.22 0.36 -0.16 1.08 0.00 0.00 0.00 173.10 174.60 3iwp s LEU 114 N -2.49 2.31 -0.04 0.66 1.43 -0.71 -1.20 118.68 118.64 3iwp s LEU 114 Ca 0.11 -0.67 0.04 0.00 -1.03 0.00 0.00 54.13 52.57 3iwp s LEU 114 Cb 0.01 -0.64 -0.00 0.00 0.03 0.00 0.00 46.19 45.58 3iwp s LEU 114 CO -0.04 -0.04 -0.16 -0.69 0.23 0.00 0.00 176.35 175.64 3iwp s VAL 115 N -1.39 1.34 0.12 -1.59 1.01 -0.20 -1.04 120.40 118.65 3iwp s VAL 115 Ca 0.03 -0.66 -0.25 0.00 0.00 0.00 0.00 61.98 61.10 3iwp s VAL 115 Cb -0.09 -1.16 0.08 0.00 0.00 0.00 0.00 36.38 35.21 3iwp s VAL 115 CO 0.03 0.39 1.09 0.72 0.00 0.00 0.00 175.10 177.33 3iwp s PHE 116 N 0.12 -0.01 -0.15 5.22 -0.12 -1.01 -0.34 117.98 121.69 3iwp s PHE 116 Ca -0.05 -0.28 -0.29 0.00 -0.05 0.00 0.00 56.93 56.26 3iwp s PHE 116 Cb -0.12 0.64 0.08 0.00 -0.63 0.00 0.00 43.02 42.99 3iwp s PHE 116 CO 0.02 -0.71 0.74 0.20 -0.05 0.00 0.00 175.22 175.43 3iwp s GLY 117 N -3.25 -0.51 -0.15 1.99 0.00 -1.26 -1.39 107.32 102.74 3iwp s GLY 117 Ca 0.19 1.71 -0.11 0.00 0.00 0.00 0.00 44.72 46.51 3iwp s GLY 117 CO 0.02 1.29 0.37 0.00 0.00 0.00 0.00 173.10 174.78 3iwp s ALA 118 N -0.56 -0.93 0.11 3.20 0.00 -1.26 -4.88 121.76 117.44 3iwp s ALA 118 Ca -0.06 1.20 0.04 0.00 0.00 0.00 0.00 51.96 53.15 3iwp s ALA 118 Cb -0.02 -0.72 -0.04 0.00 0.00 0.00 0.00 23.12 22.34 3iwp s ALA 118 CO 0.05 -0.21 -0.11 -0.51 0.00 0.00 0.00 175.76 174.99 3iwp s LEU 119 N 0.71 2.43 0.71 0.00 1.43 -0.15 -1.43 118.68 122.38 3iwp s LEU 119 Ca -0.04 -0.86 -0.04 0.00 -1.03 0.00 0.00 54.13 52.16 3iwp s LEU 119 Cb -0.05 -0.36 0.09 0.00 0.03 0.00 0.00 46.19 45.90 3iwp s LEU 119 CO -0.05 -0.26 0.99 0.42 0.23 0.00 0.00 176.35 177.68 3iwp s THR 120 N -2.60 2.28 0.32 5.49 -4.23 -0.11 -4.24 115.64 112.55 3iwp s THR 120 Ca 0.09 -0.43 0.03 0.00 -1.18 0.00 0.00 61.69 60.20 3iwp s THR 120 Cb -0.02 -2.85 0.29 0.00 1.34 0.00 0.00 72.50 71.27 3iwp s THR 120 CO 0.01 0.00 1.89 -0.33 -0.54 0.00 0.00 174.62 175.65 3iwp h GLU 121 N -0.55 0.88 0.00 3.99 5.08 -1.98 -2.30 114.58 119.70 3iwp h GLU 121 Ca -0.41 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 3iwp h GLU 121 Cb 1.29 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.34 3iwp h GLU 121 CO 0.49 0.58 0.00 -0.25 -1.00 0.00 0.00 179.01 178.84 3iwp n ASP 122 N -4.53 0.00 0.00 1.42 8.00 -1.26 -4.84 116.55 115.34 3iwp n ASP 122 Ca 0.15 0.03 0.00 0.00 0.71 0.00 0.00 54.79 55.68 3iwp n ASP 122 Cb 0.30 -0.27 0.00 0.00 -0.02 0.00 0.00 41.12 41.13 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 0.09 0.41 3.89 0.44 0.00 -0.87 -4.58 105.19 104.57 3iwp n GLY 123 Ca 0.08 -0.90 -0.22 0.00 0.00 0.00 0.00 46.02 44.97 3iwp n GLY 123 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3iwp s HIS 124 N -2.00 3.29 0.27 1.61 3.76 -1.26 -0.72 115.29 120.24 3iwp s HIS 124 Ca 0.00 -0.04 -0.29 0.00 -0.15 0.00 0.00 55.06 54.57 3iwp s HIS 124 Cb 0.00 -1.51 -0.10 0.00 1.11 0.00 0.00 32.58 32.09 3iwp s HIS 124 CO 0.00 0.49 1.27 0.96 -0.85 0.00 0.00 174.74 176.61 3iwp s ILE 125 N -2.00 3.03 -1.04 0.60 -4.36 -1.26 -0.94 121.20 115.24 3iwp s ILE 125 Ca 0.33 0.96 -0.20 0.00 -0.26 0.00 0.00 60.65 61.48 3iwp s ILE 125 Cb -0.09 -3.61 0.09 0.00 1.25 0.00 0.00 42.46 40.09 3iwp s ILE 125 CO 0.27 0.20 1.38 -0.62 0.24 0.00 0.00 174.94 176.40 3iwp s ASP 126 N -0.27 6.62 0.18 4.36 3.68 -0.51 -4.69 116.67 126.03 3iwp s ASP 126 Ca 0.51 -1.87 -0.18 0.00 2.13 0.00 0.00 52.55 53.14 3iwp s ASP 126 Cb -0.37 -2.50 0.12 0.00 -1.45 0.00 0.00 42.92 38.72 3iwp s ASP 126 CO 0.45 -1.27 1.63 0.11 0.13 0.00 0.00 175.17 176.23 3iwp h LYS 127 N 9.04 -0.09 -0.18 4.34 1.57 -1.91 -1.41 116.57 127.93 3iwp h LYS 127 Ca 0.22 0.01 0.05 0.00 -1.87 0.00 0.00 60.65 59.06 3iwp h LYS 127 Cb 0.99 0.02 -0.05 0.00 0.08 0.00 0.00 32.23 33.27 3iwp h LYS 127 CO 1.32 -0.06 -0.15 1.49 -0.57 0.00 0.00 179.45 181.47 3iwp h GLU 128 N -0.09 -0.16 -0.39 3.15 4.81 -1.99 0.11 114.58 120.01 3iwp h GLU 128 Ca 0.22 0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.35 3iwp h GLU 128 Cb 0.43 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.83 3iwp h GLU 128 CO -0.51 -0.10 -0.16 1.25 -0.73 0.00 0.00 179.01 178.75 3iwp h LEU 129 N -0.16 0.81 -0.69 1.64 6.46 -1.94 -1.05 115.31 120.38 3iwp h LEU 129 Ca 0.11 -0.39 0.07 0.00 -0.12 0.00 0.00 57.88 57.54 3iwp h LEU 129 Cb 0.33 -0.22 -0.06 0.00 -0.73 0.00 0.00 40.66 39.97 3iwp h LEU 129 CO -0.28 1.02 0.38 0.00 -0.62 0.00 0.00 178.44 178.95 3iwp h MET 131 N 0.69 -0.36 -0.23 0.00 2.86 -0.40 0.56 114.93 118.06 3iwp h MET 131 Ca 0.32 0.02 0.06 0.00 -2.06 0.00 0.00 59.70 58.04 3iwp h MET 131 Cb 0.22 0.08 -0.07 0.00 0.06 0.00 0.00 31.60 31.89 3iwp h MET 131 CO -0.20 -0.24 -0.36 0.77 1.06 0.00 0.00 176.91 177.94 3iwp h SER 132 N -0.37 -1.16 -0.49 1.22 0.02 -0.69 -0.82 113.55 111.26 3iwp h SER 132 Ca -0.00 0.17 -0.04 0.00 -0.84 0.00 0.00 61.79 61.08 3iwp h SER 132 Cb 0.34 0.50 -0.02 0.00 0.14 0.00 0.00 62.40 63.36 3iwp h SER 132 CO -0.03 -0.37 0.14 -0.07 -1.14 0.00 0.00 176.83 175.36 3iwp h LEU 133 N -0.38 0.73 -0.58 5.07 3.38 -0.52 -2.77 115.31 120.25 3iwp h LEU 133 Ca 0.11 -0.22 0.10 0.00 0.09 0.00 0.00 57.88 57.97 3iwp h LEU 133 Cb 0.57 -0.19 -0.08 0.00 0.09 0.00 0.00 40.66 41.05 3iwp h LEU 133 CO -0.44 0.76 0.15 0.24 0.09 0.00 0.00 178.44 179.23 3iwp h MET 134 N 0.67 0.28 -0.53 1.13 2.86 0.46 -1.66 114.93 118.14 3iwp h MET 134 Ca 0.16 -0.02 0.14 0.00 -2.06 0.00 0.00 59.70 57.92 3iwp h MET 134 Cb 0.30 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.87 3iwp h MET 134 CO -0.00 0.19 0.38 0.00 1.06 0.00 0.00 176.91 178.53 3iwp h ALA 135 N 1.44 2.43 0.00 6.32 0.00 -0.86 -1.33 119.26 127.27 3iwp h ALA 135 Ca 0.30 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 55.02 3iwp h ALA 135 Cb 0.41 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 3iwp h ALA 135 CO -0.36 -0.58 -1.51 -0.89 0.00 0.00 0.00 179.25 175.92 3iwp n ILE 136 N -4.40 1.16 -0.14 0.00 5.41 -0.68 -4.00 119.36 116.70 3iwp n ILE 136 Ca 0.10 -0.70 -0.11 0.00 1.00 0.00 0.00 62.75 63.04 3iwp n ILE 136 Cb 0.57 -0.70 0.01 0.00 -0.71 0.00 0.00 39.64 38.81 3iwp n ILE 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3iwp n ARG 138 N -4.10 1.08 0.00 0.00 1.74 -0.82 -1.67 116.66 112.90 3iwp n ARG 138 Ca -0.00 0.38 0.14 0.00 -0.77 0.00 0.00 57.85 57.60 3iwp n ARG 138 Cb 0.48 -1.79 0.56 0.00 -1.02 0.00 0.00 32.46 30.69 3iwp n ARG 138 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3iwp n PRO 139 N 1.35 0.62 -1.74 5.56 -0.04 -1.26 -5.06 135.00 134.42 3iwp n PRO 139 Ca 0.14 -0.23 -0.40 0.00 -0.04 0.00 0.00 63.50 62.97 3iwp n PRO 139 Cb 0.27 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.25 3iwp n PRO 139 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3iwp n LEU 140 N -0.99 4.88 -4.77 1.53 4.77 -0.67 -4.96 117.00 116.80 3iwp n LEU 140 Ca 0.13 1.08 -0.39 0.00 -0.03 0.00 0.00 56.01 56.80 3iwp n LEU 140 Cb 0.29 -1.56 -0.01 0.00 -2.33 0.00 0.00 43.42 39.81 3iwp n LEU 140 CO 0.25 -0.43 0.90 -2.16 -1.33 0.00 0.00 177.39 174.62 3iwp s PRO 141 N -2.49 4.03 0.02 3.23 0.04 -1.26 -4.83 135.00 133.74 3iwp s PRO 141 Ca 0.64 1.99 0.07 0.00 0.04 0.00 0.00 61.00 63.73 3iwp s PRO 141 Cb -0.46 -2.73 -0.03 0.00 0.04 0.00 0.00 34.50 31.32 3iwp s PRO 141 CO 0.56 -0.38 -0.19 0.08 0.04 0.00 0.00 177.00 177.10 3iwp s VAL 142 N -1.33 2.70 -0.15 -0.36 1.01 -1.26 -1.74 120.40 119.27 3iwp s VAL 142 Ca 0.56 -1.11 -0.01 0.00 0.00 0.00 0.00 61.98 61.43 3iwp s VAL 142 Cb -0.34 -2.10 -0.01 0.00 0.00 0.00 0.00 36.38 33.93 3iwp s VAL 142 CO 0.44 0.41 -0.13 0.42 0.00 0.00 0.00 175.10 176.24 3iwp s THR 143 N -0.84 2.97 -0.26 3.92 -4.23 -0.21 -2.09 115.64 114.90 3iwp s THR 143 Ca 0.13 -0.67 -0.29 0.00 -1.18 0.00 0.00 61.69 59.68 3iwp s THR 143 Cb -0.10 -2.26 0.01 0.00 1.34 0.00 0.00 72.50 71.48 3iwp s THR 143 CO 0.03 0.51 1.11 0.12 -0.54 0.00 0.00 174.62 175.85 3iwp s PHE 144 N 0.64 3.14 0.00 3.99 5.36 0.21 -2.40 117.98 128.92 3iwp s PHE 144 Ca -0.07 1.25 0.00 0.00 -0.96 0.00 0.00 56.93 57.15 3iwp s PHE 144 Cb -0.15 -3.51 0.00 0.00 -0.34 0.00 0.00 43.02 39.02 3iwp s PHE 144 CO 0.03 -0.88 0.00 -2.39 -1.46 0.00 0.00 175.22 170.51 3iwp n HIS 145 N 6.67 -0.01 0.38 10.12 1.44 -0.49 -1.74 115.22 131.59 3iwp n HIS 145 Ca 0.13 0.00 0.04 0.00 -2.01 0.00 0.00 57.72 55.88 3iwp n HIS 145 Cb 0.46 0.00 0.21 0.00 0.12 0.00 0.00 29.99 30.78 3iwp n HIS 145 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 3iwp n ARG 146 N 0.00 0.07 -0.40 -1.40 5.12 -1.24 -1.71 116.66 117.11 3iwp n ARG 146 Ca 0.00 0.26 0.39 0.00 -1.93 0.00 0.00 57.85 56.57 3iwp n ARG 146 Cb 0.00 -1.50 0.76 0.00 -1.16 0.00 0.00 32.46 30.56 3iwp n ARG 146 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3iwp h ALA 147 N 2.38 3.25 -0.21 7.54 0.00 -1.90 0.22 119.26 130.54 3iwp h ALA 147 Ca 0.00 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 3iwp h ALA 147 Cb 0.11 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3iwp h ALA 147 CO 0.00 -1.63 -0.05 0.35 0.00 0.00 0.00 179.25 177.92 3iwp h PHE 148 N 0.01 0.32 0.00 0.00 3.57 -1.60 -1.43 116.94 117.81 3iwp h PHE 148 Ca 0.64 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 62.11 3iwp h PHE 148 Cb 2.54 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 41.19 3iwp h PHE 148 CO -0.00 0.37 0.00 -0.25 -2.23 0.00 0.00 178.31 176.20 3iwp n ASP 149 N -4.32 0.28 -1.47 0.41 10.43 0.79 -2.19 116.55 120.48 3iwp n ASP 149 Ca 0.00 0.57 0.11 0.00 2.57 0.00 0.00 54.79 58.04 3iwp n ASP 149 Cb 0.22 -0.63 0.34 0.00 1.84 0.00 0.00 41.12 42.90 3iwp n ASP 149 CO 0.00 0.00 0.00 0.23 -1.07 0.00 0.00 177.20 176.36 3iwp n MET 150 N -1.81 3.15 -2.82 -1.24 2.81 -0.54 -4.39 117.12 112.28 3iwp n MET 150 Ca 0.03 -2.75 -0.33 0.00 -1.81 0.00 0.00 57.70 52.84 3iwp n MET 150 Cb 0.19 -1.71 -0.07 0.00 -0.71 0.00 0.00 33.22 30.92 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 4.43 0.02 2.03 1.01 -0.93 -4.83 120.40 120.77 3iwp s VAL 151 Ca 0.50 1.41 -0.21 0.00 0.00 0.00 0.00 61.98 63.67 3iwp s VAL 151 Cb 0.29 -3.61 -0.16 0.00 0.00 0.00 0.00 36.38 32.90 3iwp s VAL 151 CO 0.30 -0.34 1.31 -0.74 0.00 0.00 0.00 175.10 175.63 3iwp h HIS 152 N 1.86 0.36 -3.12 5.22 -0.00 -1.17 -3.42 115.15 114.87 3iwp h HIS 152 Ca -0.49 -0.11 -0.62 0.00 -0.00 0.00 0.00 60.37 59.15 3iwp h HIS 152 Cb 1.18 -0.07 -0.41 0.00 -0.00 0.00 0.00 27.41 28.11 3iwp h HIS 152 CO 0.62 0.73 -0.68 0.34 -0.00 0.00 0.00 177.93 178.94 3iwp s ASP 153 N -6.09 3.99 0.17 3.26 2.15 -1.26 -5.00 116.67 113.88 3iwp s ASP 153 Ca -0.14 -3.01 -0.15 0.00 0.43 0.00 0.00 52.55 49.67 3iwp s ASP 153 Cb 0.04 -1.34 0.11 0.00 -0.30 0.00 0.00 42.92 41.44 3iwp s ASP 153 CO 0.74 -0.22 1.73 1.55 -0.17 0.00 0.00 175.17 178.80 3iwp h PRO 154 N 6.35 0.22 -0.95 4.34 0.13 -1.91 0.30 132.00 140.47 3iwp h PRO 154 Ca 0.00 -0.01 0.07 0.00 -0.87 0.00 0.00 66.00 65.19 3iwp h PRO 154 Cb 0.88 -0.05 -0.07 0.00 0.13 0.00 0.00 31.00 31.90 3iwp h PRO 154 CO 0.60 0.14 0.60 0.52 -0.23 0.00 0.00 178.00 179.63 3iwp h MET 155 N 0.22 1.04 -0.07 0.86 2.86 -1.99 0.52 114.93 118.37 3iwp h MET 155 Ca 0.20 -0.06 -0.04 0.00 -2.06 0.00 0.00 59.70 57.73 3iwp h MET 155 Cb 0.23 -0.23 -0.00 0.00 0.06 0.00 0.00 31.60 31.65 3iwp h MET 155 CO -0.25 0.69 -0.10 0.00 1.06 0.00 0.00 176.91 178.31 3iwp h ALA 156 N 1.45 0.11 -0.50 6.32 0.00 -1.84 -2.65 119.26 122.15 3iwp h ALA 156 Ca 0.42 -0.32 0.10 0.00 0.00 0.00 0.00 54.91 55.12 3iwp h ALA 156 Cb 0.22 -0.02 -0.10 0.00 0.00 0.00 0.00 17.79 17.88 3iwp h ALA 156 CO -0.19 -0.03 -0.24 0.00 0.00 0.00 0.00 179.25 178.79 3iwp h ALA 157 N 0.52 0.11 -0.69 0.00 0.00 0.09 -0.22 119.26 119.07 3iwp h ALA 157 Ca 0.01 0.17 0.05 0.00 0.00 0.00 0.00 54.91 55.14 3iwp h ALA 157 Cb 0.65 0.58 -0.05 0.00 0.00 0.00 0.00 17.79 18.97 3iwp h ALA 157 CO 0.02 -0.58 0.40 1.25 0.00 0.00 0.00 179.25 180.35 3iwp h LEU 158 N -0.13 0.61 -0.37 0.00 5.85 0.01 -0.02 115.31 121.26 3iwp h LEU 158 Ca 0.23 0.02 0.06 0.00 0.84 0.00 0.00 57.88 59.03 3iwp h LEU 158 Cb 0.49 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.36 3iwp h LEU 158 CO -0.58 0.40 0.04 -0.08 -0.34 0.00 0.00 178.44 177.88 3iwp h GLU 159 N 0.74 0.15 -0.04 1.25 4.22 -0.80 0.28 114.58 120.38 3iwp h GLU 159 Ca 0.30 -0.01 -0.16 0.00 0.08 0.00 0.00 59.36 59.57 3iwp h GLU 159 Cb 0.16 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 3iwp h GLU 159 CO -0.17 0.10 -0.69 1.79 -2.18 0.00 0.00 179.01 177.86 3iwp h THR 160 N 0.15 1.42 -0.89 0.32 1.35 0.32 -0.18 112.91 115.41 3iwp h THR 160 Ca 0.18 -2.19 -0.01 0.00 -0.55 0.00 0.00 66.41 63.84 3iwp h THR 160 Cb 0.23 2.15 -0.04 0.00 -1.73 0.00 0.00 68.15 68.76 3iwp h THR 160 CO -0.26 0.64 0.50 -0.07 -0.25 0.00 0.00 175.52 176.08 3iwp h LEU 161 N 0.15 1.09 0.40 3.87 3.38 -0.84 0.23 115.31 123.59 3iwp h LEU 161 Ca -0.02 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 3iwp h LEU 161 Cb 1.23 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.70 3iwp h LEU 161 CO 0.11 0.86 -0.24 0.25 0.09 0.00 0.00 178.44 179.51 3iwp h LEU 162 N 1.24 -0.61 -2.03 1.67 7.12 -0.46 -1.46 115.31 120.79 3iwp h LEU 162 Ca 0.32 0.04 -0.02 0.00 0.13 0.00 0.00 57.88 58.34 3iwp h LEU 162 Cb -0.00 0.18 -0.00 0.00 -0.53 0.00 0.00 40.66 40.31 3iwp h LEU 162 CO -0.05 -0.39 -0.09 0.00 -0.13 0.00 0.00 178.44 177.78 3iwp h THR 163 N -0.61 0.44 0.00 1.05 1.03 -0.85 -2.24 112.91 111.74 3iwp h THR 163 Ca -0.04 -0.43 -0.04 0.00 -0.01 0.00 0.00 66.41 65.89 3iwp h THR 163 Cb 0.50 1.30 -0.01 0.00 -1.07 0.00 0.00 68.15 68.87 3iwp h THR 163 CO 0.04 0.08 -0.30 -0.07 -0.01 0.00 0.00 175.52 175.26 3iwp h LEU 164 N 0.00 0.00 0.00 0.00 3.38 -0.63 -3.48 115.31 114.58 3iwp h LEU 164 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3iwp h LEU 164 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 3iwp h LEU 164 CO 0.01 0.17 0.00 0.61 0.09 0.00 0.00 178.44 179.32 3iwp n GLY 165 N 1.16 0.92 3.74 0.83 0.00 -0.58 -5.04 105.19 106.21 3iwp n GLY 165 Ca 0.02 -0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.00 2.83 0.22 1.61 0.40 -1.06 -4.89 117.98 115.08 3iwp s PHE 166 Ca 0.00 0.61 0.01 0.00 -0.60 0.00 0.00 56.93 56.95 3iwp s PHE 166 Cb 0.00 -4.09 0.19 0.00 0.51 0.00 0.00 43.02 39.63 3iwp s PHE 166 CO 0.00 -3.86 1.53 0.93 0.70 0.00 0.00 175.22 174.52 3iwp h GLU 167 N 5.68 0.36 -3.84 0.44 4.39 -1.77 -3.45 114.58 116.39 3iwp h GLU 167 Ca -0.45 -0.25 -0.16 0.00 0.34 0.00 0.00 59.36 58.85 3iwp h GLU 167 Cb 1.21 0.04 -0.20 0.00 -0.10 0.00 0.00 28.75 29.69 3iwp h GLU 167 CO 0.86 0.85 -0.62 1.03 -1.16 0.00 0.00 179.01 179.97 3iwp s ARG 168 N -3.83 0.40 -0.04 2.33 0.52 -1.14 -1.61 118.95 115.59 3iwp s ARG 168 Ca -0.05 -0.60 0.03 0.00 -0.52 0.00 0.00 55.73 54.60 3iwp s ARG 168 Cb 0.12 0.15 0.00 0.00 0.52 0.00 0.00 34.95 35.74 3iwp s ARG 168 CO 0.82 -0.08 -0.13 0.08 0.02 0.00 0.00 175.30 176.00 3iwp s VAL 169 N -1.67 1.13 -0.19 3.52 1.01 -0.84 0.65 120.40 124.01 3iwp s VAL 169 Ca -0.14 -0.55 -0.09 0.00 0.00 0.00 0.00 61.98 61.20 3iwp s VAL 169 Cb -0.08 -0.99 -0.05 0.00 0.00 0.00 0.00 36.38 35.27 3iwp s VAL 169 CO -0.01 0.34 0.11 -0.22 0.00 0.00 0.00 175.10 175.32 3iwp s LEU 170 N 0.12 4.11 -0.21 3.92 0.20 -0.71 -0.21 118.68 125.91 3iwp s LEU 170 Ca -0.04 0.20 -0.27 0.00 0.69 0.00 0.00 54.13 54.72 3iwp s LEU 170 Cb -0.10 -2.05 0.07 0.00 -0.43 0.00 0.00 46.19 43.67 3iwp s LEU 170 CO 0.01 0.19 0.71 0.28 -0.29 0.00 0.00 176.35 177.26 3iwp s THR 171 N 0.27 0.00 -0.26 3.68 -1.32 -0.27 -3.65 115.64 114.09 3iwp s THR 171 Ca 0.07 0.00 0.12 0.00 -1.21 0.00 0.00 61.69 60.67 3iwp s THR 171 Cb -0.11 -1.00 0.55 0.00 -1.51 0.00 0.00 72.50 70.43 3iwp s THR 171 CO -0.01 0.00 1.51 -1.54 -2.21 0.00 0.00 174.62 172.37 3iwp n SER 172 N 2.18 3.41 -3.03 8.08 3.41 -1.22 -1.00 113.62 125.45 3iwp n SER 172 Ca -0.15 -3.38 -0.20 0.00 -0.26 0.00 0.00 58.87 54.87 3iwp n SER 172 Cb 0.56 -0.62 0.06 0.00 -0.26 0.00 0.00 64.21 63.94 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 -0.77 -0.34 2.65 5.00 0.00 -1.26 -2.47 105.19 108.01 3iwp n GLY 173 Ca 0.31 0.10 -0.15 0.00 0.00 0.00 0.00 46.02 46.28 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 -1.16 2.13 -0.05 0.00 -0.08 -1.03 -4.96 116.55 111.40 3iwp n ASP 175 Ca -0.15 -1.35 0.14 0.00 -1.51 0.00 0.00 54.79 51.92 3iwp n ASP 175 Cb 0.61 0.06 0.63 0.00 2.34 0.00 0.00 41.12 44.77 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 -1.12 0.24 -3.55 1.67 3.41 -1.26 -4.80 113.62 108.21 3iwp n SER 176 Ca -0.03 -0.23 -0.07 0.00 -0.26 0.00 0.00 58.87 58.28 3iwp n SER 176 Cb 0.10 -0.19 -0.02 0.00 -0.26 0.00 0.00 64.21 63.84 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 -2.63 -0.26 0.28 4.04 1.04 -1.26 -4.85 113.70 110.05 3iwp s SER 177 Ca 0.25 0.02 0.02 0.00 0.48 0.00 0.00 55.95 56.73 3iwp s SER 177 Cb 0.20 0.27 0.63 0.00 0.10 0.00 0.00 66.02 67.22 3iwp s SER 177 CO 0.50 -0.43 1.77 0.00 0.98 0.00 0.00 173.24 176.06 3iwp h ALA 178 N 2.03 1.48 -0.38 5.32 0.00 -1.26 0.64 119.26 127.09 3iwp h ALA 178 Ca -0.16 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 3iwp h ALA 178 Cb 1.20 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 3iwp h ALA 178 CO 0.27 -0.05 0.08 1.25 0.00 0.00 0.00 179.25 180.80 3iwp h LEU 179 N 0.72 0.58 -1.02 0.00 6.46 -1.90 0.13 115.31 120.28 3iwp h LEU 179 Ca 0.52 -0.25 -0.07 0.00 -0.12 0.00 0.00 57.88 57.97 3iwp h LEU 179 Cb 0.76 -0.15 -0.02 0.00 -0.73 0.00 0.00 40.66 40.52 3iwp h LEU 179 CO -0.37 0.68 -0.06 -0.33 -0.62 0.00 0.00 178.44 177.74 3iwp h GLU 180 N 0.46 0.63 -0.02 1.25 4.39 -1.51 -2.64 114.58 117.14 3iwp h GLU 180 Ca 0.12 -0.17 0.00 0.00 0.34 0.00 0.00 59.36 59.64 3iwp h GLU 180 Cb 0.33 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 3iwp h GLU 180 CO 0.00 0.70 0.00 0.41 -1.16 0.00 0.00 179.01 178.96 3iwp n GLY 181 N -0.66 0.31 0.34 -3.84 0.00 0.08 -4.56 105.19 96.86 3iwp n GLY 181 Ca 0.01 -0.52 0.18 0.00 0.00 0.00 0.00 46.02 45.70 3iwp n GLY 181 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3iwp h LEU 182 N 3.06 -0.35 -1.10 0.99 6.46 -0.36 -0.85 115.31 123.16 3iwp h LEU 182 Ca 0.00 0.28 -0.03 0.00 -0.12 0.00 0.00 57.88 58.02 3iwp h LEU 182 Cb 0.65 0.46 -0.03 0.00 -0.73 0.00 0.00 40.66 41.01 3iwp h LEU 182 CO 0.00 -0.38 0.32 -0.65 -0.62 0.00 0.00 178.44 177.11 3iwp h PRO 183 N 0.00 0.95 -0.19 5.25 0.11 -1.84 -1.29 132.00 134.99 3iwp h PRO 183 Ca 0.65 -0.13 -0.20 0.00 0.11 0.00 0.00 66.00 66.43 3iwp h PRO 183 Cb 1.43 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3iwp h PRO 183 CO -0.91 0.74 -0.66 1.25 -0.21 0.00 0.00 178.00 178.21 3iwp h LEU 184 N 0.95 0.85 -0.24 2.35 5.85 -1.47 -1.70 115.31 121.88 3iwp h LEU 184 Ca 0.23 -0.51 0.01 0.00 0.84 0.00 0.00 57.88 58.46 3iwp h LEU 184 Cb 0.11 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.87 3iwp h LEU 184 CO -0.03 1.29 0.14 -0.29 -0.34 0.00 0.00 178.44 179.20 3iwp h ILE 185 N 0.53 1.02 -0.35 4.05 2.10 -1.26 0.12 117.51 123.73 3iwp h ILE 185 Ca -0.02 -0.10 0.08 0.00 1.08 0.00 0.00 64.86 65.90 3iwp h ILE 185 Cb 1.27 0.71 -0.08 0.00 -1.09 0.00 0.00 36.82 37.63 3iwp h ILE 185 CO 0.14 0.05 -0.21 0.50 -1.08 0.00 0.00 178.15 177.55 3iwp h LYS 186 N 0.29 -0.15 -0.56 2.19 3.64 -1.16 0.08 116.57 120.89 3iwp h LYS 186 Ca 0.10 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.52 3iwp h LYS 186 Cb 0.00 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.83 3iwp h LYS 186 CO -0.05 -0.10 0.37 0.00 -2.27 0.00 0.00 179.45 177.40 3iwp h ARG 187 N -0.16 0.61 -0.20 1.90 3.08 -0.56 -0.92 114.38 118.14 3iwp h ARG 187 Ca 0.17 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.15 3iwp h ARG 187 Cb 0.43 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 3iwp h ARG 187 CO -0.44 0.40 -0.04 -0.07 -1.07 0.00 0.00 179.97 178.75 3iwp h LEU 188 N 0.62 0.38 -1.25 3.04 3.38 0.10 -0.63 115.31 120.95 3iwp h LEU 188 Ca 0.23 -0.36 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 3iwp h LEU 188 Cb 0.13 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 3iwp h LEU 188 CO -0.06 0.65 0.43 0.40 0.09 0.00 0.00 178.44 179.95 3iwp h ILE 189 N 0.10 1.19 -0.48 1.22 2.04 -0.65 0.13 117.51 121.07 3iwp h ILE 189 Ca 0.05 -0.41 -0.01 0.00 1.00 0.00 0.00 64.86 65.49 3iwp h ILE 189 Cb 0.48 0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 36.73 3iwp h ILE 189 CO 0.02 0.20 0.26 -0.33 0.00 0.00 0.00 178.15 178.29 3iwp h GLU 190 N 0.96 0.67 -0.01 2.37 3.07 -0.81 -3.06 114.58 117.77 3iwp h GLU 190 Ca 0.25 -0.08 -0.09 0.00 -0.50 0.00 0.00 59.36 58.94 3iwp h GLU 190 Cb -0.06 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 27.71 3iwp h GLU 190 CO -0.05 0.54 -0.40 0.37 -1.40 0.00 0.00 179.01 178.07 3iwp h GLN 191 N 0.63 0.03 -0.05 2.33 4.15 0.54 -3.14 115.11 119.61 3iwp h GLN 191 Ca 0.17 -0.01 -0.18 0.00 0.77 0.00 0.00 58.65 59.39 3iwp h GLN 191 Cb 0.07 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.75 3iwp h GLN 191 CO -0.03 0.43 -0.76 0.00 -1.93 0.00 0.00 178.83 176.55 3iwp h ALA 192 N 1.57 0.61 -6.26 3.38 0.00 -0.75 -3.48 119.26 114.34 3iwp h ALA 192 Ca -0.00 -0.63 -0.46 0.00 0.00 0.00 0.00 54.91 53.82 3iwp h ALA 192 Cb 0.73 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 3iwp h ALA 192 CO 0.05 0.80 -0.81 1.63 0.00 0.00 0.00 179.25 180.92 3iwp n LYS 193 N -3.79 -4.82 -0.27 0.00 4.01 -1.17 -0.44 118.16 111.68 3iwp n LYS 193 Ca -0.04 0.57 0.00 0.00 -0.51 0.00 0.00 58.31 58.33 3iwp n LYS 193 Cb 0.72 -5.19 0.00 0.00 -0.51 0.00 0.00 35.03 30.05 3iwp n LYS 193 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3iwp n GLY 194 N -1.67 0.19 0.24 0.72 0.00 -1.26 -4.82 105.19 98.60 3iwp n GLY 194 Ca -0.16 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 0.24 0.00 -3.78 1.61 3.08 -1.14 -3.42 114.38 110.97 3iwp h ARG 195 Ca 0.00 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.85 3iwp h ARG 195 Cb 0.00 0.00 -0.25 0.00 0.08 0.00 0.00 29.97 29.80 3iwp h ARG 195 CO 0.00 0.12 -0.69 -1.50 -1.07 0.00 0.00 179.97 176.83 3iwp s ILE 196 N -4.67 0.04 -0.53 2.04 2.07 -1.26 -4.98 121.20 113.91 3iwp s ILE 196 Ca -0.04 -0.34 -0.25 0.00 -1.41 0.00 0.00 60.65 58.61 3iwp s ILE 196 Cb 0.16 -0.13 0.04 0.00 0.13 0.00 0.00 42.46 42.65 3iwp s ILE 196 CO 0.66 -0.19 0.94 -0.69 -1.91 0.00 0.00 174.94 173.76 3iwp s VAL 197 N -0.56 4.40 -0.47 4.00 1.01 -0.63 -4.84 120.40 123.30 3iwp s VAL 197 Ca -0.06 0.41 -0.27 0.00 0.00 0.00 0.00 61.98 62.05 3iwp s VAL 197 Cb -0.04 -4.52 0.03 0.00 0.00 0.00 0.00 36.38 31.85 3iwp s VAL 197 CO -0.00 -1.05 1.04 -0.69 0.00 0.00 0.00 175.10 174.40 3iwp s VAL 198 N 3.93 4.32 -0.41 2.92 1.01 -1.26 -2.00 120.40 128.91 3iwp s VAL 198 Ca 0.32 1.01 -0.14 0.00 0.00 0.00 0.00 61.98 63.17 3iwp s VAL 198 Cb -0.12 -4.53 0.04 0.00 0.00 0.00 0.00 36.38 31.76 3iwp s VAL 198 CO 0.21 -0.94 0.29 -0.04 0.00 0.00 0.00 175.10 174.63 3iwp s MET 199 N 4.15 2.92 0.44 2.72 -1.94 0.71 -4.65 119.30 123.64 3iwp s MET 199 Ca 0.43 -1.12 -0.25 0.00 -1.71 0.00 0.00 55.69 53.04 3iwp s MET 199 Cb -0.08 -3.94 -0.08 0.00 2.01 0.00 0.00 34.83 32.73 3iwp s MET 199 CO 0.29 -0.80 1.33 -1.25 -0.01 0.00 0.00 175.02 174.58 3iwp s PRO 200 N 1.63 3.80 0.15 2.03 0.04 -1.26 -1.12 135.00 140.27 3iwp s PRO 200 Ca 0.04 2.19 -0.16 0.00 0.04 0.00 0.00 61.00 63.11 3iwp s PRO 200 Cb -0.20 -2.65 0.03 0.00 0.04 0.00 0.00 34.50 31.72 3iwp s PRO 200 CO 0.08 -0.65 0.45 0.20 0.04 0.00 0.00 177.00 177.12 3iwp s GLY 201 N -0.76 -0.18 0.00 0.56 0.00 -0.17 -1.52 107.32 105.25 3iwp s GLY 201 Ca 0.60 -0.13 0.00 0.00 0.00 0.00 0.00 44.72 45.19 3iwp s GLY 201 CO 0.49 -0.30 0.00 0.61 0.00 0.00 0.00 173.10 173.90 3iwp n GLY 202 N -0.27 1.60 2.53 0.20 0.00 -1.26 -3.39 105.19 104.59 3iwp n GLY 202 Ca -0.13 -0.78 -0.21 0.00 0.00 0.00 0.00 46.02 44.90 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 0.49 -0.51 3.69 -0.02 0.00 -1.26 -1.40 105.19 106.19 3iwp n GLY 203 Ca 0.00 0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 3iwp n GLY 203 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3iwp s ILE 204 N -3.07 4.44 0.40 -0.61 1.01 -1.26 -4.89 121.20 117.21 3iwp s ILE 204 Ca 0.06 1.74 0.04 0.00 0.00 0.00 0.00 60.65 62.49 3iwp s ILE 204 Cb -0.03 -4.12 -0.04 0.00 0.01 0.00 0.00 42.46 38.28 3iwp s ILE 204 CO 0.08 0.01 0.07 0.28 0.00 0.00 0.00 174.94 175.38 3iwp s THR 205 N 2.08 1.02 0.28 2.92 -1.32 -1.26 -4.55 115.64 114.82 3iwp s THR 205 Ca 0.53 -2.00 0.36 0.00 -1.21 0.00 0.00 61.69 59.38 3iwp s THR 205 Cb -0.23 -2.53 0.37 0.00 -1.51 0.00 0.00 72.50 68.60 3iwp s THR 205 CO 0.21 0.00 2.10 -2.24 -2.21 0.00 0.00 174.62 172.48 3iwp h ASP 206 N 1.83 0.00 0.91 8.08 2.03 -1.95 -1.35 116.42 125.98 3iwp h ASP 206 Ca -0.39 0.00 -0.17 0.00 -0.73 0.00 0.00 57.03 55.74 3iwp h ASP 206 Cb 1.27 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 39.74 3iwp h ASP 206 CO 0.66 0.00 -1.17 0.03 -1.03 0.00 0.00 179.24 177.74 3iwp h ARG 207 N 0.00 0.00 -0.01 4.15 3.08 -1.98 -3.39 114.38 116.24 3iwp h ARG 207 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3iwp h ARG 207 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.19 3iwp h ARG 207 CO 0.00 0.42 -0.08 0.27 -1.07 0.00 0.00 179.97 179.50 3iwp n ASN 208 N -3.03 1.09 0.17 7.04 0.23 -1.06 -4.78 115.26 114.92 3iwp n ASN 208 Ca -0.06 -1.04 -0.14 0.00 -0.53 0.00 0.00 54.58 52.80 3iwp n ASN 208 Cb 0.84 0.33 -0.07 0.00 -2.08 0.00 0.00 39.78 38.80 3iwp n ASN 208 CO 0.00 0.00 0.00 0.25 -0.93 0.00 0.00 177.26 176.58 3iwp h LEU 209 N 0.80 -0.73 -0.78 -4.53 6.46 -1.44 -0.65 115.31 114.42 3iwp h LEU 209 Ca 0.00 0.07 0.13 0.00 -0.12 0.00 0.00 57.88 57.97 3iwp h LEU 209 Cb 0.21 0.26 -0.09 0.00 -0.73 0.00 0.00 40.66 40.31 3iwp h LEU 209 CO 0.00 -0.38 0.36 -0.61 -0.62 0.00 0.00 178.44 177.19 3iwp h GLN 210 N -0.55 0.53 -0.43 1.25 4.15 -1.86 0.15 115.11 118.35 3iwp h GLN 210 Ca 0.00 -0.03 -0.09 0.00 0.77 0.00 0.00 58.65 59.30 3iwp h GLN 210 Cb 0.52 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 28.08 3iwp h GLN 210 CO -0.08 0.35 -0.10 0.00 -1.93 0.00 0.00 178.83 177.07 3iwp h ARG 211 N 0.54 0.76 -0.28 1.69 3.08 -1.75 0.21 114.38 118.62 3iwp h ARG 211 Ca 0.42 -0.24 -0.10 0.00 0.07 0.00 0.00 59.98 60.13 3iwp h ARG 211 Cb 0.59 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.57 3iwp h ARG 211 CO -0.36 0.83 -0.21 0.82 -1.07 0.00 0.00 179.97 179.98 3iwp h ILE 212 N 0.69 1.30 0.22 2.04 2.04 0.40 0.14 117.51 124.34 3iwp h ILE 212 Ca 0.12 -1.36 -0.01 0.00 1.00 0.00 0.00 64.86 64.61 3iwp h ILE 212 Cb 0.57 1.56 0.00 0.00 -0.74 0.00 0.00 36.82 38.21 3iwp h ILE 212 CO 0.04 0.43 -0.10 -0.07 0.00 0.00 0.00 178.15 178.44 3iwp h LEU 213 N 0.38 -0.25 -1.49 1.44 3.38 -0.56 -2.12 115.31 116.10 3iwp h LEU 213 Ca 0.05 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.77 3iwp h LEU 213 Cb 0.76 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 3iwp h LEU 213 CO 0.06 0.11 -0.04 -0.33 0.09 0.00 0.00 178.44 178.32 3iwp h GLU 214 N -0.63 0.28 -0.01 1.13 5.08 -0.59 -1.44 114.58 118.41 3iwp h GLU 214 Ca -0.03 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 3iwp h GLU 214 Cb 0.45 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.65 3iwp h GLU 214 CO 0.05 0.34 -0.18 0.41 -1.00 0.00 0.00 179.01 178.63 3iwp n GLY 215 N -1.05 -0.76 0.01 -3.84 0.00 0.49 -4.26 105.19 95.78 3iwp n GLY 215 Ca -0.00 -0.34 -0.00 0.00 0.00 0.00 0.00 46.02 45.68 3iwp n GLY 215 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3iwp n SER 216 N -0.78 4.46 0.00 1.61 3.41 -0.80 -4.67 113.62 116.86 3iwp n SER 216 Ca 0.13 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.74 3iwp n SER 216 Cb 0.31 0.70 0.00 0.00 -0.26 0.00 0.00 64.21 64.96 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 2.73 0.61 3.67 5.00 0.00 -0.58 -4.63 105.19 112.00 3iwp n GLY 217 Ca -0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.60 3iwp n GLY 217 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iwp n ALA 218 N 1.00 0.82 -0.05 4.61 0.00 -1.26 -4.97 120.51 120.66 3iwp n ALA 218 Ca 0.00 0.13 -0.04 0.00 0.00 0.00 0.00 53.44 53.53 3iwp n ALA 218 Cb 0.02 -2.21 -0.11 0.00 0.00 0.00 0.00 19.45 17.15 3iwp n ALA 218 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 3iwp n THR 219 N -1.05 0.74 -4.38 0.00 5.66 -1.26 -4.95 114.28 109.05 3iwp n THR 219 Ca 0.11 -0.53 -0.28 0.00 -3.05 0.00 0.00 64.05 60.30 3iwp n THR 219 Cb 0.44 -0.47 -0.12 0.00 -1.55 0.00 0.00 70.33 68.63 3iwp n THR 219 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 3iwp s GLU 220 N -2.47 1.62 -0.00 1.09 2.02 -1.26 -1.69 118.70 118.00 3iwp s GLU 220 Ca -0.06 -1.40 -0.18 0.00 0.02 0.00 0.00 54.97 53.35 3iwp s GLU 220 Cb 0.05 -1.95 0.03 0.00 0.10 0.00 0.00 34.13 32.37 3iwp s GLU 220 CO 0.57 0.43 0.40 -0.59 0.02 0.00 0.00 175.26 176.09 3iwp s PHE 221 N -1.46 -0.28 -0.14 1.61 -0.71 -0.89 -4.02 117.98 112.09 3iwp s PHE 221 Ca 0.19 0.38 -0.00 0.00 -1.04 0.00 0.00 56.93 56.47 3iwp s PHE 221 Cb -0.09 0.18 -0.01 0.00 -1.21 0.00 0.00 43.02 41.89 3iwp s PHE 221 CO 0.10 -0.48 -0.13 -1.58 -1.34 0.00 0.00 175.22 171.79 3iwp s HIS 222 N -1.66 2.81 0.35 3.49 2.46 -0.57 -1.16 115.29 121.00 3iwp s HIS 222 Ca -0.11 -0.81 0.04 0.00 0.47 0.00 0.00 55.06 54.65 3iwp s HIS 222 Cb -0.03 -1.88 -0.03 0.00 -0.13 0.00 0.00 32.58 30.51 3iwp s HIS 222 CO 0.03 -0.33 0.16 0.00 -2.47 0.00 0.00 174.74 172.13 3iwp n SER 224 N -1.18 2.40 -3.74 0.00 3.41 -1.26 -3.53 113.62 109.72 3iwp n SER 224 Ca -0.01 -0.01 -0.23 0.00 -0.26 0.00 0.00 58.87 58.37 3iwp n SER 224 Cb 0.64 -0.29 0.03 0.00 -0.26 0.00 0.00 64.21 64.33 3iwp n SER 224 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3iwp n ALA 225 N -3.13 -1.93 -2.84 7.33 0.00 -1.26 -4.81 120.51 113.86 3iwp n ALA 225 Ca -0.28 -0.14 -0.30 0.00 0.00 0.00 0.00 53.44 52.73 3iwp n ALA 225 Cb 0.76 -2.18 -0.05 0.00 0.00 0.00 0.00 19.45 17.98 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 -6.09 3.13 0.04 0.00 0.52 -1.26 -0.56 118.95 114.72 3iwp s ARG 226 Ca 0.07 -0.62 0.05 0.00 -0.52 0.00 0.00 55.73 54.72 3iwp s ARG 226 Cb -0.04 -2.85 -0.02 0.00 0.52 0.00 0.00 34.95 32.56 3iwp s ARG 226 CO 0.82 0.57 -0.16 -1.54 0.02 0.00 0.00 175.30 175.01 3iwp s SER 227 N -2.61 1.84 -0.09 0.23 1.04 -0.57 -4.83 113.70 108.72 3iwp s SER 227 Ca 0.32 -0.49 -0.22 0.00 0.48 0.00 0.00 55.95 56.05 3iwp s SER 227 Cb -0.12 -0.12 -0.04 0.00 0.10 0.00 0.00 66.02 65.84 3iwp s SER 227 CO 0.25 0.05 0.63 0.42 0.98 0.00 0.00 173.24 175.56 3iwp s THR 228 N -0.88 5.09 0.26 2.02 -4.23 -1.26 -1.86 115.64 114.78 3iwp s THR 228 Ca 0.03 1.28 0.09 0.00 -1.18 0.00 0.00 61.69 61.91 3iwp s THR 228 Cb -0.08 -3.97 -0.05 0.00 1.34 0.00 0.00 72.50 69.74 3iwp s THR 228 CO 0.01 0.27 -0.15 -0.13 -0.54 0.00 0.00 174.62 174.09 3iwp s ARG 229 N 0.77 1.54 0.20 3.99 0.52 0.69 -4.92 118.95 121.73 3iwp s ARG 229 Ca 0.34 -1.72 -0.20 0.00 -0.52 0.00 0.00 55.73 53.63 3iwp s ARG 229 Cb -0.17 -1.43 -0.08 0.00 0.52 0.00 0.00 34.95 33.79 3iwp s ARG 229 CO 0.15 0.22 0.70 0.34 0.02 0.00 0.00 175.30 176.74 3iwp s ASP 230 N -3.43 7.06 0.72 0.23 3.68 -1.26 0.65 116.67 124.32 3iwp s ASP 230 Ca 0.27 1.40 -0.16 0.00 2.13 0.00 0.00 52.55 56.19 3iwp s ASP 230 Cb -0.02 -2.41 0.02 0.00 -1.45 0.00 0.00 42.92 39.06 3iwp s ASP 230 CO 0.12 0.07 1.06 -0.24 0.13 0.00 0.00 175.17 176.30 3iwp n SER 231 N 0.85 0.84 -0.03 -0.34 2.88 0.57 -4.80 113.62 113.60 3iwp n SER 231 Ca -0.03 0.68 0.15 0.00 -1.33 0.00 0.00 58.87 58.34 3iwp n SER 231 Cb 0.51 -1.45 0.80 0.00 -0.75 0.00 0.00 64.21 63.32 3iwp n SER 231 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3iwp n GLY 232 N 0.97 -1.12 3.69 0.46 0.00 -1.26 -4.90 105.19 103.04 3iwp n GLY 232 Ca 0.14 -0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.35 4.19 -0.08 1.61 -1.94 -1.26 -4.91 119.30 114.55 3iwp s MET 233 Ca 0.35 2.38 -0.15 0.00 -1.71 0.00 0.00 55.69 56.57 3iwp s MET 233 Cb 0.21 -3.57 -0.29 0.00 2.01 0.00 0.00 34.83 33.19 3iwp s MET 233 CO 0.43 -0.75 0.64 0.87 -0.01 0.00 0.00 175.02 176.20 3iwp h LYS 234 N 8.28 0.31 -5.98 2.03 1.57 -2.04 -3.44 116.57 117.30 3iwp h LYS 234 Ca -0.43 -0.53 -0.58 0.00 -1.87 0.00 0.00 60.65 57.24 3iwp h LYS 234 Cb 1.20 0.20 -0.07 0.00 0.08 0.00 0.00 32.23 33.65 3iwp h LYS 234 CO 0.93 1.25 0.39 0.12 -0.57 0.00 0.00 179.45 181.58 3iwp s PHE 235 N -2.51 3.44 0.04 -1.35 5.36 -1.26 -5.05 117.98 116.64 3iwp s PHE 235 Ca -0.18 1.29 0.07 0.00 -0.96 0.00 0.00 56.93 57.15 3iwp s PHE 235 Cb 0.04 -3.02 -0.02 0.00 -0.34 0.00 0.00 43.02 39.68 3iwp s PHE 235 CO 0.81 -0.22 -0.20 1.03 -1.46 0.00 0.00 175.22 175.17 3iwp s ARG 236 N 2.07 1.39 -0.24 10.12 0.52 -1.26 -5.11 118.95 126.44 3iwp s ARG 236 Ca 0.39 -0.90 -0.01 0.00 -0.52 0.00 0.00 55.73 54.69 3iwp s ARG 236 Cb -0.17 -1.47 0.07 0.00 0.52 0.00 0.00 34.95 33.90 3iwp s ARG 236 CO 0.13 0.38 0.03 1.21 0.02 0.00 0.00 175.30 177.07 3iwp s ASN 237 N -1.08 3.57 0.10 0.23 3.04 -1.26 -5.01 114.94 114.53 3iwp s ASN 237 Ca 0.07 -1.20 0.25 0.00 0.04 0.00 0.00 52.86 52.02 3iwp s ASN 237 Cb -0.09 -0.88 0.98 0.00 -1.54 0.00 0.00 41.25 39.72 3iwp s ASN 237 CO 0.01 -0.32 1.78 -0.24 -3.04 0.00 0.00 177.10 175.30 3iwp n SER 238 N 4.85 0.34 0.15 -4.21 2.88 -1.26 -3.72 113.62 112.65 3iwp n SER 238 Ca -0.08 0.54 0.03 0.00 -1.33 0.00 0.00 58.87 58.03 3iwp n SER 238 Cb 0.45 -0.63 0.18 0.00 -0.75 0.00 0.00 64.21 63.46 3iwp n SER 238 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 3iwp h SER 239 N 0.00 0.00 -2.91 -3.46 4.64 -2.07 -3.45 113.55 106.30 3iwp h SER 239 Ca 0.00 0.00 -0.63 0.00 -0.47 0.00 0.00 61.79 60.69 3iwp h SER 239 Cb 0.52 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.55 3iwp h SER 239 CO 0.00 0.51 -0.33 0.68 -0.87 0.00 0.00 176.83 176.82 3iwp s VAL 240 N -3.32 5.23 -0.20 0.95 -7.23 -1.24 -5.07 120.40 109.51 3iwp s VAL 240 Ca 0.01 0.43 0.01 0.00 -1.81 0.00 0.00 61.98 60.63 3iwp s VAL 240 Cb 0.10 -3.58 0.04 0.00 0.56 0.00 0.00 36.38 33.49 3iwp s VAL 240 CO 0.73 0.48 -0.14 0.00 -0.31 0.00 0.00 175.10 175.86 3iwp s ALA 241 N -1.18 2.23 0.07 1.32 0.00 -1.26 -4.93 121.76 118.01 3iwp s ALA 241 Ca 0.24 -1.33 -0.23 0.00 0.00 0.00 0.00 51.96 50.65 3iwp s ALA 241 Cb -0.14 -1.31 -0.14 0.00 0.00 0.00 0.00 23.12 21.53 3iwp s ALA 241 CO 0.13 -0.73 1.62 0.52 0.00 0.00 0.00 175.76 177.29 3iwp h MET 242 N 7.92 0.10 0.00 0.00 2.86 -1.98 -3.54 114.93 120.29 3iwp h MET 242 Ca -0.32 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.30 3iwp h MET 242 Cb 1.10 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.74 3iwp h MET 242 CO 0.53 0.21 0.00 0.41 1.06 0.00 0.00 176.91 179.12 3iwp n GLY 243 N -0.72 0.00 0.00 8.32 0.00 -1.26 -5.27 105.19 106.27 3iwp n GLY 243 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 3iwp n GLY 243 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3iwp n SER 247 N 0.00 0.00 0.04 1.61 3.41 -1.26 -5.32 113.62 112.10 3iwp n SER 247 Ca 0.00 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.72 3iwp n SER 247 Cb 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 63.93 3iwp n SER 247 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3iwp s SER 249 N -4.37 -0.34 0.00 0.00 1.04 -1.26 -5.03 113.70 103.74 3iwp s SER 249 Ca 0.01 0.33 0.15 0.00 0.48 0.00 0.00 55.95 56.91 3iwp s SER 249 Cb 0.13 0.29 0.35 0.00 0.10 0.00 0.00 66.02 66.89 3iwp s SER 249 CO 0.82 -0.35 1.27 -0.62 0.98 0.00 0.00 173.24 175.34 3iwp n GLU 250 N 0.59 2.41 -0.40 4.02 -0.58 -1.26 -4.58 120.64 120.83 3iwp n GLU 250 Ca -0.09 -2.06 0.06 0.00 -0.42 0.00 0.00 57.16 54.65 3iwp n GLU 250 Cb 0.58 -1.36 0.11 0.00 -0.57 0.00 0.00 31.44 30.20 3iwp n GLU 250 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 3iwp n TYR 251 N 0.91 0.00 -4.47 -0.32 4.02 -1.26 -5.03 117.16 111.01 3iwp n TYR 251 Ca 0.14 -0.80 -0.24 0.00 -0.01 0.00 0.00 57.90 56.99 3iwp n TYR 251 Cb 0.47 -0.14 -0.13 0.00 -0.02 0.00 0.00 39.34 39.51 3iwp n TYR 251 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 3iwp s SER 252 N -2.41 2.31 -0.05 7.72 1.04 -1.26 -0.31 113.70 120.74 3iwp s SER 252 Ca 0.26 -0.56 0.03 0.00 0.48 0.00 0.00 55.95 56.16 3iwp s SER 252 Cb 0.24 -0.16 0.00 0.00 0.10 0.00 0.00 66.02 66.20 3iwp s SER 252 CO -0.01 0.10 -0.14 -0.76 0.98 0.00 0.00 173.24 173.40 3iwp s LEU 253 N -1.39 1.81 -0.15 2.42 1.43 0.21 -4.87 118.68 118.13 3iwp s LEU 253 Ca 0.06 -0.31 -0.04 0.00 -1.03 0.00 0.00 54.13 52.81 3iwp s LEU 253 Cb -0.09 -0.85 -0.03 0.00 0.03 0.00 0.00 46.19 45.25 3iwp s LEU 253 CO 0.02 0.10 -0.01 -1.59 0.23 0.00 0.00 176.35 175.10 3iwp s LYS 254 N 0.27 3.68 -0.01 1.70 -2.85 -1.26 0.25 119.74 121.52 3iwp s LYS 254 Ca -0.07 -0.47 0.02 0.00 -1.00 0.00 0.00 55.97 54.45 3iwp s LYS 254 Cb -0.12 -2.97 -0.00 0.00 -2.06 0.00 0.00 37.83 32.67 3iwp s LYS 254 CO 0.02 0.30 -0.07 0.08 0.10 0.00 0.00 175.35 175.78 3iwp s VAL 255 N 0.24 0.56 -0.09 1.79 1.01 -0.78 -4.95 120.40 118.19 3iwp s VAL 255 Ca -0.01 -0.29 -0.33 0.00 0.00 0.00 0.00 61.98 61.36 3iwp s VAL 255 Cb -0.13 -0.49 -0.10 0.00 0.00 0.00 0.00 36.38 35.65 3iwp s VAL 255 CO 0.02 0.17 1.96 0.41 0.00 0.00 0.00 175.10 177.66 3iwp n THR 256 N 3.04 0.58 -3.16 3.92 -1.04 -1.26 -1.51 114.28 114.86 3iwp n THR 256 Ca -0.15 -0.16 -0.39 0.00 -2.04 0.00 0.00 64.05 61.31 3iwp n THR 256 Cb 0.57 -2.03 -0.06 0.00 -1.82 0.00 0.00 70.33 66.99 3iwp n THR 256 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3iwp s ASP 257 N 4.79 6.73 0.12 8.00 -1.08 0.27 -4.69 116.67 130.82 3iwp s ASP 257 Ca 0.94 0.88 -0.17 0.00 -0.52 0.00 0.00 52.55 53.68 3iwp s ASP 257 Cb -0.61 -2.34 -0.03 0.00 -1.46 0.00 0.00 42.92 38.48 3iwp s ASP 257 CO 0.48 -0.18 1.67 0.58 0.52 0.00 0.00 175.17 178.24 3iwp h VAL 258 N 5.00 1.19 -0.30 1.11 2.07 -1.88 -1.38 116.25 122.05 3iwp h VAL 258 Ca -0.35 -0.57 0.05 0.00 0.82 0.00 0.00 66.70 66.65 3iwp h VAL 258 Cb 1.16 0.91 -0.05 0.00 -1.52 0.00 0.00 31.29 31.79 3iwp h VAL 258 CO 0.76 0.20 -0.02 0.74 0.02 0.00 0.00 177.57 179.28 3iwp h THR 259 N 0.42 0.76 -0.57 2.57 2.02 -1.93 0.25 112.91 116.42 3iwp h THR 259 Ca 0.12 -0.02 -0.05 0.00 0.77 0.00 0.00 66.41 67.22 3iwp h THR 259 Cb 0.18 0.69 -0.03 0.00 -1.74 0.00 0.00 68.15 67.25 3iwp h THR 259 CO -0.01 0.01 0.15 0.11 0.37 0.00 0.00 175.52 176.15 3iwp h LYS 260 N 0.07 0.88 -0.25 6.66 1.57 -1.82 -1.43 116.57 122.24 3iwp h LYS 260 Ca 0.14 -0.18 -0.08 0.00 -1.87 0.00 0.00 60.65 58.67 3iwp h LYS 260 Cb 0.20 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 3iwp h LYS 260 CO -0.26 0.78 -0.15 0.28 -0.57 0.00 0.00 179.45 179.54 3iwp h VAL 261 N 0.85 1.30 -0.37 0.50 2.07 -0.76 -2.33 116.25 117.52 3iwp h VAL 261 Ca 0.19 -1.25 0.06 0.00 0.82 0.00 0.00 66.70 66.52 3iwp h VAL 261 Cb 0.30 1.58 -0.06 0.00 -1.52 0.00 0.00 31.29 31.59 3iwp h VAL 261 CO -0.00 0.39 0.03 0.03 0.02 0.00 0.00 177.57 178.04 3iwp h ARG 262 N 0.27 0.14 -0.07 1.57 3.08 -0.13 -1.02 114.38 118.22 3iwp h ARG 262 Ca 0.05 -0.01 -0.18 0.00 0.07 0.00 0.00 59.98 59.92 3iwp h ARG 262 Cb 0.67 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.68 3iwp h ARG 262 CO 0.04 0.09 -0.72 1.79 -1.07 0.00 0.00 179.97 180.10 3iwp h THR 263 N 0.14 1.39 -0.33 2.04 1.35 -1.30 -0.09 112.91 116.11 3iwp h THR 263 Ca 0.18 -2.15 -0.01 0.00 -0.55 0.00 0.00 66.41 63.87 3iwp h THR 263 Cb 0.23 2.12 -0.02 0.00 -1.73 0.00 0.00 68.15 68.76 3iwp h THR 263 CO -0.27 0.64 0.15 -0.07 -0.25 0.00 0.00 175.52 175.72 3iwp h LEU 264 N 0.24 0.41 -0.23 3.87 3.38 -1.19 0.18 115.31 121.97 3iwp h LEU 264 Ca -0.03 -0.03 -0.21 0.00 0.09 0.00 0.00 57.88 57.70 3iwp h LEU 264 Cb 1.28 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 41.94 3iwp h LEU 264 CO 0.12 0.36 -0.79 -1.13 0.09 0.00 0.00 178.44 177.10 3iwp h ASN 265 N 0.46 0.77 -0.84 -0.43 -0.73 -0.64 -2.60 115.58 111.57 3iwp h ASN 265 Ca 0.12 -0.52 -0.00 0.00 1.87 0.00 0.00 56.30 57.77 3iwp h ASN 265 Cb 0.07 -0.23 -0.04 0.00 0.27 0.00 0.00 38.32 38.39 3iwp h ASN 265 CO -0.01 1.30 0.52 0.00 -0.37 0.00 0.00 177.43 178.87 3iwp h ALA 266 N 0.68 1.07 -0.81 1.57 0.00 -0.45 -1.88 119.26 119.44 3iwp h ALA 266 Ca -0.05 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 3iwp h ALA 266 Cb 1.40 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 18.81 3iwp h ALA 266 CO 0.15 0.51 0.39 0.82 0.00 0.00 0.00 179.25 181.12 3iwp h ILE 267 N 1.15 1.25 -0.16 0.00 2.04 -0.57 -2.32 117.51 118.90 3iwp h ILE 267 Ca 0.30 -0.70 -0.05 0.00 1.00 0.00 0.00 64.86 65.41 3iwp h ILE 267 Cb -0.07 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 36.21 3iwp h ILE 267 CO -0.06 0.30 -0.12 0.00 0.00 0.00 0.00 178.15 178.27 3iwp h ALA 268 N 1.27 1.50 -0.37 1.87 0.00 -1.02 -2.45 119.26 120.06 3iwp h ALA 268 Ca 0.28 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3iwp h ALA 268 Cb 0.12 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3iwp h ALA 268 CO -0.04 0.36 0.00 0.36 0.00 0.00 0.00 179.25 179.93 3iwp n LYS 269 N -4.28 2.71 -0.00 0.00 2.85 -0.76 -3.48 118.16 115.21 3iwp n LYS 269 Ca -0.01 -1.70 0.07 0.00 -1.05 0.00 0.00 58.31 55.63 3iwp n LYS 269 Cb 0.27 -1.68 -0.10 0.00 -0.65 0.00 0.00 35.03 32.86 3iwp n LYS 269 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 3iwp n ASN 270 N 0.53 1.17 -3.92 -5.58 4.13 -0.93 -4.70 115.26 105.96 3iwp n ASN 270 Ca 0.15 -0.39 -0.43 0.00 1.68 0.00 0.00 54.58 55.59 3iwp n ASN 270 Cb 0.61 1.36 0.01 0.00 -1.54 0.00 0.00 39.78 40.22 3iwp n ASN 270 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 3iwp n ILE 271 N -1.70 5.01 -1.65 2.41 5.41 -1.19 -5.13 119.36 122.52 3iwp n ILE 271 Ca -0.00 -5.34 0.00 0.00 1.00 0.00 0.00 62.75 58.40 3iwp n ILE 271 Cb 0.31 -2.16 0.00 0.00 -0.71 0.00 0.00 39.64 37.08 3iwp n ILE 271 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73