#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iwp n GLY 25 N 0.00 3.58 3.75 4.83 0.00 -1.26 -5.02 105.19 111.07 3iwp n GLY 25 Ca 0.00 -0.82 -0.28 0.00 0.00 0.00 0.00 46.02 44.92 3iwp n GLY 25 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3iwp s PHE 26 N -0.06 3.08 -0.10 1.61 0.40 -1.26 -4.93 117.98 116.72 3iwp s PHE 26 Ca 0.00 -0.02 0.03 0.00 -0.60 0.00 0.00 56.93 56.34 3iwp s PHE 26 Cb 0.00 -1.51 -0.01 0.00 0.51 0.00 0.00 43.02 42.01 3iwp s PHE 26 CO 0.00 0.51 -0.20 -0.51 0.70 0.00 0.00 175.22 175.73 3iwp s LEU 27 N -2.83 2.36 -0.22 -0.37 1.43 0.00 -5.01 118.68 114.05 3iwp s LEU 27 Ca 0.29 -0.44 -0.07 0.00 -1.03 0.00 0.00 54.13 52.89 3iwp s LEU 27 Cb -0.11 -1.49 -0.03 0.00 0.03 0.00 0.00 46.19 44.60 3iwp s LEU 27 CO 0.21 0.20 0.05 -0.32 0.23 0.00 0.00 176.35 176.72 3iwp s MET 28 N 0.15 3.74 -0.16 1.70 -2.45 -1.26 -1.79 119.30 119.23 3iwp s MET 28 Ca -0.10 -0.45 -0.07 0.00 -1.25 0.00 0.00 55.69 53.82 3iwp s MET 28 Cb -0.16 -3.24 -0.04 0.00 1.25 0.00 0.00 34.83 32.64 3iwp s MET 28 CO 0.06 -0.00 0.09 -2.00 1.05 0.00 0.00 175.02 174.21 3iwp s GLU 29 N 1.10 3.78 -0.14 4.11 2.12 -0.28 -0.83 118.70 128.56 3iwp s GLU 29 Ca 0.04 -0.27 0.01 0.00 0.36 0.00 0.00 54.97 55.10 3iwp s GLU 29 Cb -0.14 -3.20 0.02 0.00 0.26 0.00 0.00 34.13 31.06 3iwp s GLU 29 CO 0.03 0.45 -0.15 0.08 -0.54 0.00 0.00 175.26 175.13 3iwp s VAL 30 N -0.11 1.56 0.35 3.70 1.01 -0.91 -1.25 120.40 124.76 3iwp s VAL 30 Ca 0.08 -0.64 -0.28 0.00 0.00 0.00 0.00 61.98 61.14 3iwp s VAL 30 Cb -0.12 -1.45 -0.10 0.00 0.00 0.00 0.00 36.38 34.71 3iwp s VAL 30 CO 0.01 0.46 1.32 0.00 0.00 0.00 0.00 175.10 176.89 3iwp s VAL 32 N -1.17 0.12 0.00 0.00 0.11 0.19 -4.88 120.40 114.77 3iwp s VAL 32 Ca 0.51 -0.97 0.00 0.00 -2.93 0.00 0.00 61.98 58.59 3iwp s VAL 32 Cb -0.40 -1.09 0.00 0.00 -1.53 0.00 0.00 36.38 33.36 3iwp s VAL 32 CO 0.53 -0.54 0.21 -0.90 -3.33 0.00 0.00 175.10 171.07 3iwp n ASP 33 N 0.35 0.42 -4.00 3.54 3.85 -1.26 0.91 116.55 120.36 3iwp n ASP 33 Ca -0.17 -1.00 -0.10 0.00 -0.71 0.00 0.00 54.79 52.81 3iwp n ASP 33 Cb 0.60 0.00 -0.07 0.00 -1.35 0.00 0.00 41.12 40.31 3iwp n ASP 33 CO 0.00 0.00 0.00 -0.94 -1.01 0.00 0.00 177.20 175.25 3iwp s SER 34 N -0.00 0.02 0.27 -1.12 1.04 -1.26 -4.94 113.70 107.71 3iwp s SER 34 Ca 0.00 -0.94 0.09 0.00 0.48 0.00 0.00 55.95 55.58 3iwp s SER 34 Cb 0.00 0.46 0.36 0.00 0.10 0.00 0.00 66.02 66.94 3iwp s SER 34 CO 0.00 -0.94 1.62 0.58 0.98 0.00 0.00 173.24 175.48 3iwp h VAL 35 N 2.49 1.42 -0.42 5.02 2.07 -1.97 -2.39 116.25 122.47 3iwp h VAL 35 Ca -0.31 -2.03 -0.12 0.00 0.82 0.00 0.00 66.70 65.07 3iwp h VAL 35 Cb 1.24 2.08 -0.01 0.00 -1.52 0.00 0.00 31.29 33.07 3iwp h VAL 35 CO 0.46 0.58 -0.20 -0.08 0.02 0.00 0.00 177.57 178.36 3iwp h GLU 36 N 0.03 0.87 -0.39 1.57 4.81 -1.99 -1.82 114.58 117.66 3iwp h GLU 36 Ca -0.01 -0.38 -0.06 0.00 -0.13 0.00 0.00 59.36 58.79 3iwp h GLU 36 Cb 1.06 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.40 3iwp h GLU 36 CO 0.08 1.02 0.02 0.77 -0.73 0.00 0.00 179.01 180.18 3iwp h SER 37 N 0.69 0.66 0.14 1.04 0.02 -1.84 -0.08 113.55 114.18 3iwp h SER 37 Ca 0.09 -0.29 0.02 0.00 -0.84 0.00 0.00 61.79 60.77 3iwp h SER 37 Cb 0.76 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 63.09 3iwp h SER 37 CO 0.06 0.79 -0.29 0.00 -1.14 0.00 0.00 176.83 176.25 3iwp h ALA 38 N 0.90 -0.51 -0.65 3.77 0.00 -1.42 0.17 119.26 121.51 3iwp h ALA 38 Ca 0.11 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.01 3iwp h ALA 38 Cb 0.43 0.47 -0.05 0.00 0.00 0.00 0.00 17.79 18.65 3iwp h ALA 38 CO 0.02 -0.84 0.39 0.28 0.00 0.00 0.00 179.25 179.10 3iwp h VAL 39 N -0.52 1.03 -0.30 0.00 2.07 -1.25 -0.99 116.25 116.29 3iwp h VAL 39 Ca 0.03 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.29 3iwp h VAL 39 Cb 0.54 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 3iwp h VAL 39 CO -0.16 0.14 0.20 0.78 0.02 0.00 0.00 177.57 178.55 3iwp h ASN 40 N 0.74 0.34 -0.74 0.57 2.35 -0.75 0.14 115.58 118.23 3iwp h ASN 40 Ca 0.28 -0.01 0.01 0.00 -0.55 0.00 0.00 56.30 56.02 3iwp h ASN 40 Cb 0.09 -0.09 -0.04 0.00 0.05 0.00 0.00 38.32 38.34 3iwp h ASN 40 CO -0.14 0.25 0.49 0.00 -1.65 0.00 0.00 177.43 176.38 3iwp h ALA 41 N 1.11 0.94 -0.31 -0.83 0.00 -0.08 -0.06 119.26 120.04 3iwp h ALA 41 Ca 0.11 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3iwp h ALA 41 Cb -0.04 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 3iwp h ALA 41 CO -0.03 0.37 0.06 1.49 0.00 0.00 0.00 179.25 181.15 3iwp h GLU 42 N 1.01 0.51 -0.98 0.00 4.81 -0.93 0.16 114.58 119.16 3iwp h GLU 42 Ca 0.27 -0.13 0.16 0.00 -0.13 0.00 0.00 59.36 59.53 3iwp h GLU 42 Cb -0.10 -0.06 -0.10 0.00 0.63 0.00 0.00 28.75 29.12 3iwp h GLU 42 CO -0.06 0.59 0.59 -0.09 -0.73 0.00 0.00 179.01 179.31 3iwp h ARG 43 N 0.34 0.79 -0.35 1.92 9.65 -0.11 -2.54 114.38 124.07 3iwp h ARG 43 Ca 0.10 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.93 3iwp h ARG 43 Cb 0.32 -0.18 0.00 0.00 -1.39 0.00 0.00 29.97 28.72 3iwp h ARG 43 CO 0.00 0.52 0.00 0.41 2.80 0.00 0.00 179.97 183.71 3iwp n GLY 44 N -1.33 0.96 0.00 2.80 0.00 -0.09 -4.92 105.19 102.60 3iwp n GLY 44 Ca 0.21 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 1.24 1.09 3.76 -0.02 0.00 -0.96 -2.42 105.19 107.88 3iwp n GLY 45 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 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 2.97 -0.07 4.61 0.00 0.03 -4.81 121.76 122.49 3iwp s ALA 46 Ca 0.00 1.27 0.21 0.00 0.00 0.00 0.00 51.96 53.44 3iwp s ALA 46 Cb 0.00 -3.53 -0.29 0.00 0.00 0.00 0.00 23.12 19.30 3iwp s ALA 46 CO 0.00 -1.15 0.47 -0.25 0.00 0.00 0.00 175.76 174.84 3iwp n ASP 47 N -0.65 0.09 -3.66 0.00 8.00 -0.01 -4.65 116.55 115.67 3iwp n ASP 47 Ca 0.08 0.04 -0.15 0.00 0.71 0.00 0.00 54.79 55.47 3iwp n ASP 47 Cb 0.45 1.68 -0.08 0.00 -0.02 0.00 0.00 41.12 43.15 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 -3.34 0.78 0.00 -1.24 3.52 -0.99 -4.17 118.95 113.51 3iwp s ARG 48 Ca -0.08 0.24 0.07 0.00 -0.13 0.00 0.00 55.73 55.83 3iwp s ARG 48 Cb 0.12 0.37 -0.02 0.00 -1.56 0.00 0.00 34.95 33.86 3iwp s ARG 48 CO 0.89 -0.20 -0.21 0.96 -0.81 0.00 0.00 175.30 175.93 3iwp s ILE 49 N -0.80 1.66 -0.21 4.11 -4.36 -0.88 -2.13 121.20 118.60 3iwp s ILE 49 Ca -0.09 -1.00 -0.08 0.00 -0.26 0.00 0.00 60.65 59.22 3iwp s ILE 49 Cb -0.03 -1.40 -0.04 0.00 1.25 0.00 0.00 42.46 42.24 3iwp s ILE 49 CO 0.05 0.38 0.09 -0.70 0.24 0.00 0.00 174.94 175.00 3iwp s GLU 50 N -0.72 3.93 -0.39 0.37 2.12 -0.70 0.22 118.70 123.53 3iwp s GLU 50 Ca 0.08 -0.35 -0.19 0.00 0.36 0.00 0.00 54.97 54.87 3iwp s GLU 50 Cb -0.08 -3.32 0.01 0.00 0.26 0.00 0.00 34.13 31.00 3iwp s GLU 50 CO 0.00 0.12 0.53 -0.51 -0.54 0.00 0.00 175.26 174.87 3iwp s LEU 51 N 0.80 4.52 0.12 2.70 1.43 0.57 0.56 118.68 129.38 3iwp s LEU 51 Ca 0.05 -0.28 0.09 0.00 -1.03 0.00 0.00 54.13 52.95 3iwp s LEU 51 Cb -0.13 -2.58 -0.04 0.00 0.03 0.00 0.00 46.19 43.47 3iwp s LEU 51 CO 0.02 -0.60 -0.16 0.00 0.23 0.00 0.00 176.35 175.84 3iwp s SER 53 N -2.17 4.67 -1.62 0.00 0.15 0.71 -4.00 113.70 111.44 3iwp s SER 53 Ca 0.19 -1.18 -0.10 0.00 0.70 0.00 0.00 55.95 55.55 3iwp s SER 53 Cb -0.11 0.28 0.09 0.00 -1.71 0.00 0.00 66.02 64.58 3iwp s SER 53 CO 0.11 -1.05 0.46 0.61 1.20 0.00 0.00 173.24 174.57 3iwp n GLY 54 N -1.73 -0.30 0.20 9.45 0.00 -1.26 0.83 105.19 112.37 3iwp n GLY 54 Ca -0.01 0.14 0.06 0.00 0.00 0.00 0.00 46.02 46.21 3iwp n GLY 54 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 3iwp h LEU 55 N -1.55 0.00 -1.25 0.99 -0.00 -1.89 0.69 115.31 112.30 3iwp h LEU 55 Ca -0.62 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.26 3iwp h LEU 55 Cb 1.39 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.05 3iwp h LEU 55 CO 0.74 0.35 0.00 -1.54 -0.00 0.00 0.00 178.44 177.99 3iwp n SER 56 N -3.65 0.49 -0.37 0.17 3.41 -1.26 -0.38 113.62 112.02 3iwp n SER 56 Ca -0.01 0.73 0.07 0.00 -0.26 0.00 0.00 58.87 59.40 3iwp n SER 56 Cb 0.46 -0.79 0.14 0.00 -0.26 0.00 0.00 64.21 63.76 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 -2.16 2.39 -0.43 4.33 1.02 -0.13 -4.96 120.64 120.71 3iwp n GLU 57 Ca -0.01 -2.31 0.00 0.00 -0.02 0.00 0.00 57.16 54.81 3iwp n GLU 57 Cb 0.03 -1.44 0.00 0.00 -0.02 0.00 0.00 31.44 30.01 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 -0.63 0.72 0.00 0.62 0.00 0.48 -4.72 105.19 101.66 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 -2.05 1.50 3.58 -0.02 0.00 0.22 -4.87 105.19 103.55 3iwp n GLY 59 Ca 0.00 -1.24 -0.27 0.00 0.00 0.00 0.00 46.02 44.51 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 1.00 -0.07 2.61 -4.23 0.24 -4.75 115.64 110.45 3iwp s THR 60 Ca 0.00 -2.00 -0.30 0.00 -1.18 0.00 0.00 61.69 58.21 3iwp s THR 60 Cb 0.00 -2.46 -0.04 0.00 1.34 0.00 0.00 72.50 71.35 3iwp s THR 60 CO 0.00 0.00 1.36 0.28 -0.54 0.00 0.00 174.62 175.72 3iwp s THR 61 N -3.09 3.97 1.00 3.99 -1.32 -0.32 -0.21 115.64 119.65 3iwp s THR 61 Ca 0.23 1.26 -0.12 0.00 -1.21 0.00 0.00 61.69 61.85 3iwp s THR 61 Cb 0.04 -3.81 0.19 0.00 -1.51 0.00 0.00 72.50 67.41 3iwp s THR 61 CO 0.12 -0.05 1.08 -2.16 -2.21 0.00 0.00 174.62 171.40 3iwp s PRO 62 N 2.93 0.39 0.48 7.08 0.04 -1.26 -4.63 135.00 140.03 3iwp s PRO 62 Ca 0.61 0.81 -0.17 0.00 0.04 0.00 0.00 61.00 62.29 3iwp s PRO 62 Cb -0.27 -1.71 -0.09 0.00 0.04 0.00 0.00 34.50 32.47 3iwp s PRO 62 CO 0.23 -2.83 0.95 -1.54 0.04 0.00 0.00 177.00 173.85 3iwp s SER 63 N -3.11 6.70 0.52 6.66 1.04 -1.26 -4.95 113.70 119.31 3iwp s SER 63 Ca 0.66 1.56 0.30 0.00 0.48 0.00 0.00 55.95 58.95 3iwp s SER 63 Cb -0.21 -2.50 1.29 0.00 0.10 0.00 0.00 66.02 64.71 3iwp s SER 63 CO 0.59 -0.50 1.97 0.24 0.98 0.00 0.00 173.24 176.52 3iwp h MET 64 N 1.24 0.00 -0.53 4.02 2.86 -1.98 -2.56 114.93 117.98 3iwp h MET 64 Ca -0.47 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.07 3iwp h MET 64 Cb 1.18 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.83 3iwp h MET 64 CO 0.62 0.10 -0.06 0.78 1.06 0.00 0.00 176.91 179.41 3iwp h GLY 65 N 1.74 1.06 1.08 8.32 0.00 -1.99 -0.77 103.07 112.51 3iwp h GLY 65 Ca -0.00 -0.82 -0.09 0.00 0.00 0.00 0.00 47.33 46.42 3iwp h GLY 65 CO 0.01 0.75 0.07 -0.39 0.00 0.00 0.00 176.54 176.98 3iwp h VAL 66 N 0.85 1.27 -0.18 4.60 -1.51 -1.85 -2.58 116.25 116.84 3iwp h VAL 66 Ca 0.14 -1.09 0.05 0.00 -1.23 0.00 0.00 66.70 64.57 3iwp h VAL 66 Cb 0.61 0.69 -0.05 0.00 -2.13 0.00 0.00 31.29 30.40 3iwp h VAL 66 CO 0.04 0.41 -0.15 0.25 -1.23 0.00 0.00 177.57 176.88 3iwp h LEU 67 N 1.03 -0.48 -0.31 4.19 6.46 -1.42 -0.29 115.31 124.49 3iwp h LEU 67 Ca 0.19 0.10 0.04 0.00 -0.12 0.00 0.00 57.88 58.09 3iwp h LEU 67 Cb 0.49 0.24 -0.04 0.00 -0.73 0.00 0.00 40.66 40.62 3iwp h LEU 67 CO 0.02 -0.19 0.06 1.56 -0.62 0.00 0.00 178.44 179.27 3iwp h GLN 68 N -0.16 0.17 -0.09 1.25 4.20 -1.03 0.69 115.11 120.14 3iwp h GLN 68 Ca 0.11 -0.01 -0.17 0.00 0.06 0.00 0.00 58.65 58.65 3iwp h GLN 68 Cb 0.33 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 3iwp h GLN 68 CO -0.28 0.11 -0.66 0.28 -0.67 0.00 0.00 178.83 177.62 3iwp h VAL 69 N 0.18 1.37 -0.06 -0.54 2.07 -1.27 -2.58 116.25 115.42 3iwp h VAL 69 Ca 0.14 -2.03 -0.01 0.00 0.82 0.00 0.00 66.70 65.63 3iwp h VAL 69 Cb 0.15 2.02 -0.00 0.00 -1.52 0.00 0.00 31.29 31.94 3iwp h VAL 69 CO -0.19 0.61 0.01 0.58 0.02 0.00 0.00 177.57 178.60 3iwp h VAL 70 N 0.27 1.20 -0.76 2.57 2.07 -0.62 -2.10 116.25 118.88 3iwp h VAL 70 Ca -0.02 -0.62 0.16 0.00 0.82 0.00 0.00 66.70 67.05 3iwp h VAL 70 Cb 1.20 1.52 -0.05 0.00 -1.52 0.00 0.00 31.29 32.44 3iwp h VAL 70 CO 0.11 0.17 0.51 0.11 0.02 0.00 0.00 177.57 178.49 3iwp h LYS 71 N -0.14 0.33 -0.62 1.57 1.79 -0.84 0.32 116.57 118.99 3iwp h LYS 71 Ca 0.02 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3iwp h LYS 71 Cb 0.26 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 30.84 3iwp h LYS 71 CO 0.00 0.22 0.00 0.00 -1.08 0.00 0.00 179.45 178.59 3iwp n GLN 72 N -4.46 2.70 0.00 3.15 10.64 -0.84 -4.08 117.38 124.49 3iwp n GLN 72 Ca 0.15 -1.68 0.00 0.00 -1.83 0.00 0.00 57.00 53.63 3iwp n GLN 72 Cb 0.59 -1.68 0.00 0.00 -0.86 0.00 0.00 30.24 28.28 3iwp n GLN 72 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 3iwp n SER 73 N 0.52 0.20 -3.69 2.61 7.64 0.11 -5.05 113.62 115.96 3iwp n SER 73 Ca 0.15 -0.55 -0.15 0.00 1.01 0.00 0.00 58.87 59.34 3iwp n SER 73 Cb 0.61 0.30 -0.08 0.00 -1.01 0.00 0.00 64.21 64.03 3iwp n SER 73 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3iwp s VAL 74 N -0.30 0.04 -0.03 0.44 0.11 -0.83 -4.86 120.40 114.96 3iwp s VAL 74 Ca 0.00 -0.34 0.17 0.00 -2.93 0.00 0.00 61.98 58.89 3iwp s VAL 74 Cb 0.00 -0.73 -0.27 0.00 -1.53 0.00 0.00 36.38 33.85 3iwp s VAL 74 CO 0.00 -0.18 0.36 0.00 -3.33 0.00 0.00 175.10 171.95 3iwp n GLN 75 N 1.15 0.58 -1.78 1.54 6.02 -1.26 -4.77 117.38 118.86 3iwp n GLN 75 Ca -0.21 -0.15 -0.33 0.00 -0.01 0.00 0.00 57.00 56.30 3iwp n GLN 75 Cb 0.56 -1.41 0.04 0.00 1.02 0.00 0.00 30.24 30.45 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 -3.16 3.40 0.57 5.09 -4.36 -1.26 -4.95 121.20 116.53 3iwp s ILE 76 Ca -0.06 0.63 -0.20 0.00 -0.26 0.00 0.00 60.65 60.76 3iwp s ILE 76 Cb 0.11 -3.16 -0.05 0.00 1.25 0.00 0.00 42.46 40.60 3iwp s ILE 76 CO 0.72 -0.42 1.10 -2.65 0.24 0.00 0.00 174.94 173.93 3iwp n PRO 77 N -2.42 1.18 -3.94 0.37 -0.02 -1.26 -4.85 135.00 124.06 3iwp n PRO 77 Ca 0.10 0.44 -0.31 0.00 -2.02 0.00 0.00 63.50 61.72 3iwp n PRO 77 Cb 0.52 -2.29 -0.15 0.00 -0.02 0.00 0.00 33.50 31.56 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 -1.41 1.63 0.21 -1.45 1.01 -1.26 -2.07 120.40 117.07 3iwp s VAL 78 Ca 0.74 -1.48 -0.13 0.00 0.00 0.00 0.00 61.98 61.10 3iwp s VAL 78 Cb -0.43 -1.98 -0.08 0.00 0.00 0.00 0.00 36.38 33.89 3iwp s VAL 78 CO 0.48 -0.26 0.60 -0.36 0.00 0.00 0.00 175.10 175.56 3iwp s PHE 79 N 1.31 3.51 -0.10 5.22 0.40 0.13 -0.42 117.98 128.03 3iwp s PHE 79 Ca -0.01 1.06 0.03 0.00 -0.60 0.00 0.00 56.93 57.41 3iwp s PHE 79 Cb -0.19 -2.39 0.01 0.00 0.51 0.00 0.00 43.02 40.96 3iwp s PHE 79 CO -0.09 0.30 -0.19 0.08 0.70 0.00 0.00 175.22 176.02 3iwp s VAL 80 N -1.68 1.76 0.12 -0.44 1.01 -0.63 -0.32 120.40 120.23 3iwp s VAL 80 Ca 0.45 -0.82 -0.30 0.00 0.00 0.00 0.00 61.98 61.30 3iwp s VAL 80 Cb -0.13 -1.56 -0.07 0.00 0.00 0.00 0.00 36.38 34.63 3iwp s VAL 80 CO 0.20 0.49 1.15 -0.32 0.00 0.00 0.00 175.10 176.62 3iwp s MET 81 N 0.65 4.51 -0.65 2.72 1.75 -1.08 -1.63 119.30 125.57 3iwp s MET 81 Ca -0.13 1.75 0.05 0.00 -1.25 0.00 0.00 55.69 56.11 3iwp s MET 81 Cb -0.16 -3.31 0.16 0.00 2.84 0.00 0.00 34.83 34.36 3iwp s MET 81 CO 0.03 -0.10 0.42 0.42 -0.65 0.00 0.00 175.02 175.15 3iwp s ILE 82 N 0.38 2.82 -0.16 10.11 -1.09 0.11 -4.05 121.20 129.33 3iwp s ILE 82 Ca 0.54 -3.97 -0.02 0.00 -2.23 0.00 0.00 60.65 54.97 3iwp s ILE 82 Cb -0.30 -2.88 0.05 0.00 -1.58 0.00 0.00 42.46 37.75 3iwp s ILE 82 CO 0.33 -0.94 0.01 -0.13 -1.23 0.00 0.00 174.94 172.98 3iwp s ARG 83 N -1.08 0.77 0.00 2.79 0.52 -1.26 -4.63 118.95 116.06 3iwp s ARG 83 Ca 0.22 -0.29 0.23 0.00 -0.52 0.00 0.00 55.73 55.37 3iwp s ARG 83 Cb -0.12 -1.78 1.36 0.00 0.52 0.00 0.00 34.95 34.93 3iwp s ARG 83 CO -0.11 -0.51 1.81 -0.35 0.02 0.00 0.00 175.30 176.16 3iwp n PRO 84 N 5.05 0.90 0.00 3.54 -0.04 -1.26 -1.18 135.00 142.01 3iwp n PRO 84 Ca -0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.37 3iwp n PRO 84 Cb 0.48 -1.40 0.00 0.00 -0.04 0.00 0.00 33.50 32.54 3iwp n PRO 84 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 3iwp n ARG 85 N -0.90 0.00 -1.12 0.54 1.85 -1.26 -4.97 116.66 110.81 3iwp n ARG 85 Ca 0.17 0.00 -0.26 0.00 -1.00 0.00 0.00 57.85 56.77 3iwp n ARG 85 Cb 0.08 0.00 0.20 0.00 -1.05 0.00 0.00 32.46 31.69 3iwp n ARG 85 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3iwp n GLY 86 N -0.22 -2.34 1.23 2.89 0.00 -1.26 -4.93 105.19 100.55 3iwp n GLY 86 Ca 0.00 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.47 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 -3.35 -0.37 2.91 -0.02 0.00 -1.26 -4.98 105.19 98.12 3iwp n GLY 87 Ca 0.13 -1.73 -0.24 0.00 0.00 0.00 0.00 46.02 44.19 3iwp n GLY 87 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3iwp n ASP 88 N 0.15 -1.16 -2.26 1.61 5.68 -1.26 -4.99 116.55 114.32 3iwp n ASP 88 Ca 0.00 -1.16 -0.20 0.00 -0.50 0.00 0.00 54.79 52.93 3iwp n ASP 88 Cb 0.00 -0.81 0.02 0.00 -1.14 0.00 0.00 41.12 39.19 3iwp n ASP 88 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 3iwp n PHE 89 N -4.06 2.55 -3.68 2.11 3.72 -1.26 -4.90 117.46 111.94 3iwp n PHE 89 Ca 0.13 -2.38 -0.38 0.00 -0.05 0.00 0.00 57.45 54.77 3iwp n PHE 89 Cb 0.47 -0.28 -0.09 0.00 -0.94 0.00 0.00 39.48 38.63 3iwp n PHE 89 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 3iwp s LEU 90 N -3.60 5.42 -0.09 4.37 0.20 -1.26 -0.60 118.68 123.12 3iwp s LEU 90 Ca 0.46 -2.43 -0.14 0.00 0.69 0.00 0.00 54.13 52.70 3iwp s LEU 90 Cb 0.40 -1.90 -0.05 0.00 -0.43 0.00 0.00 46.19 44.21 3iwp s LEU 90 CO -0.01 -0.49 0.35 -0.31 -0.29 0.00 0.00 176.35 175.60 3iwp s TYR 91 N 0.56 3.59 0.84 5.38 4.12 -1.26 -5.08 117.35 125.49 3iwp s TYR 91 Ca 0.12 0.78 -0.12 0.00 0.02 0.00 0.00 57.07 57.88 3iwp s TYR 91 Cb -0.21 -2.31 0.10 0.00 -1.52 0.00 0.00 41.96 38.01 3iwp s TYR 91 CO -0.04 0.43 1.15 -1.54 0.02 0.00 0.00 175.55 175.58 3iwp s SER 92 N -0.25 4.17 0.43 2.29 1.04 -1.26 -4.80 113.70 115.32 3iwp s SER 92 Ca 0.21 0.94 0.10 0.00 0.48 0.00 0.00 55.95 57.68 3iwp s SER 92 Cb -0.15 -1.52 0.96 0.00 0.10 0.00 0.00 66.02 65.41 3iwp s SER 92 CO 0.08 -2.13 2.05 0.44 0.98 0.00 0.00 173.24 174.66 3iwp h ASP 93 N -1.21 0.39 0.78 7.02 3.32 -1.98 0.20 116.42 124.94 3iwp h ASP 93 Ca -0.48 -0.01 -0.15 0.00 0.02 0.00 0.00 57.03 56.41 3iwp h ASP 93 Cb 1.32 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.76 3iwp h ASP 93 CO 0.63 0.27 -0.73 0.03 -1.72 0.00 0.00 179.24 177.72 3iwp h ARG 94 N 0.45 0.00 0.05 3.56 3.08 -1.99 -1.23 114.38 118.29 3iwp h ARG 94 Ca 0.17 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 59.97 3iwp h ARG 94 Cb 0.12 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.18 3iwp h ARG 94 CO -0.04 0.73 -1.07 0.93 -1.07 0.00 0.00 179.97 179.45 3iwp h GLU 95 N 0.00 0.42 -0.75 0.04 5.08 -1.60 -2.52 114.58 115.25 3iwp h GLU 95 Ca -0.01 -0.52 -0.01 0.00 -1.00 0.00 0.00 59.36 57.82 3iwp h GLU 95 Cb 1.32 0.16 -0.04 0.00 0.50 0.00 0.00 28.75 30.70 3iwp h GLU 95 CO 0.10 1.19 0.43 0.82 -1.00 0.00 0.00 179.01 180.54 3iwp h ILE 96 N 0.21 1.22 -0.77 3.13 2.04 -0.49 -0.48 117.51 122.38 3iwp h ILE 96 Ca -0.11 -0.53 0.02 0.00 1.00 0.00 0.00 64.86 65.24 3iwp h ILE 96 Cb 1.73 0.21 -0.04 0.00 -0.74 0.00 0.00 36.82 37.97 3iwp h ILE 96 CO 0.19 0.24 0.49 -0.33 0.00 0.00 0.00 178.15 178.74 3iwp h GLU 97 N 1.03 0.95 -0.43 2.37 5.08 -1.19 -1.34 114.58 121.04 3iwp h GLU 97 Ca 0.27 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.51 3iwp h GLU 97 Cb 0.01 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.03 3iwp h GLU 97 CO -0.05 0.63 0.03 0.28 -1.00 0.00 0.00 179.01 178.90 3iwp h VAL 98 N 0.98 1.25 -0.54 3.13 2.07 -1.16 -2.46 116.25 119.52 3iwp h VAL 98 Ca 0.30 -0.97 0.04 0.00 0.82 0.00 0.00 66.70 66.89 3iwp h VAL 98 Cb -0.03 1.04 -0.04 0.00 -1.52 0.00 0.00 31.29 30.74 3iwp h VAL 98 CO -0.10 0.34 0.28 0.24 0.02 0.00 0.00 177.57 178.35 3iwp h MET 99 N 0.59 0.53 -0.63 1.57 2.86 -0.63 -1.50 114.93 117.72 3iwp h MET 99 Ca 0.13 -0.03 -0.07 0.00 -2.06 0.00 0.00 59.70 57.66 3iwp h MET 99 Cb 0.44 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.96 3iwp h MET 99 CO 0.02 0.35 0.10 0.87 1.06 0.00 0.00 176.91 179.31 3iwp h LYS 100 N 0.55 1.03 -0.39 1.72 1.57 -1.15 0.74 116.57 120.64 3iwp h LYS 100 Ca 0.23 -0.26 -0.06 0.00 -1.87 0.00 0.00 60.65 58.69 3iwp h LYS 100 Cb 0.13 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 3iwp h LYS 100 CO -0.15 0.95 0.01 0.00 -0.57 0.00 0.00 179.45 179.69 3iwp h ALA 101 N 1.13 0.52 -0.64 3.86 0.00 -1.11 -1.78 119.26 121.24 3iwp h ALA 101 Ca 0.19 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 3iwp h ALA 101 Cb 0.42 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 3iwp h ALA 101 CO 0.01 0.28 0.17 -0.44 0.00 0.00 0.00 179.25 179.27 3iwp h ASP 102 N 0.50 0.93 0.12 0.00 3.45 -0.84 -0.90 116.42 119.69 3iwp h ASP 102 Ca 0.11 -0.18 0.02 0.00 0.43 0.00 0.00 57.03 57.41 3iwp h ASP 102 Cb 0.45 -0.24 -0.04 0.00 -0.56 0.00 0.00 39.33 38.94 3iwp h ASP 102 CO 0.02 0.89 -0.29 0.40 -1.57 0.00 0.00 179.24 178.69 3iwp h ILE 103 N 0.96 0.37 -0.78 0.35 1.08 -0.57 -0.10 117.51 118.81 3iwp h ILE 103 Ca 0.21 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.77 3iwp h ILE 103 Cb 0.32 0.37 -0.07 0.00 -3.07 0.00 0.00 36.82 34.36 3iwp h ILE 103 CO -0.00 0.00 0.42 0.03 -0.69 0.00 0.00 178.15 177.91 3iwp h ARG 104 N -0.51 0.69 -0.09 2.37 3.08 -0.74 -1.66 114.38 117.51 3iwp h ARG 104 Ca 0.03 -0.04 -0.18 0.00 0.07 0.00 0.00 59.98 59.86 3iwp h ARG 104 Cb 0.54 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.43 3iwp h ARG 104 CO -0.17 0.45 -0.70 -0.07 -1.07 0.00 0.00 179.97 178.41 3iwp h LEU 105 N 0.71 0.49 -0.65 3.04 -0.00 -1.05 -2.50 115.31 115.34 3iwp h LEU 105 Ca 0.38 -0.31 -0.03 0.00 -0.00 0.00 0.00 57.88 57.91 3iwp h LEU 105 Cb 0.38 -0.14 -0.03 0.00 -0.00 0.00 0.00 40.66 40.87 3iwp h LEU 105 CO -0.26 1.05 0.28 0.00 -0.00 0.00 0.00 178.44 179.50 3iwp h ALA 106 N 0.95 0.85 0.60 1.53 0.00 -0.12 -1.47 119.26 121.59 3iwp h ALA 106 Ca -0.03 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 3iwp h ALA 106 Cb 1.27 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 3iwp h ALA 106 CO 0.12 0.45 -0.43 0.87 0.00 0.00 0.00 179.25 180.26 3iwp h LYS 107 N 0.92 -0.96 -0.91 0.00 1.57 -1.34 0.72 116.57 116.57 3iwp h LYS 107 Ca 0.22 0.07 0.24 0.00 -1.87 0.00 0.00 60.65 59.30 3iwp h LYS 107 Cb 0.18 0.22 -0.16 0.00 0.08 0.00 0.00 32.23 32.54 3iwp h LYS 107 CO -0.02 -0.64 0.06 1.25 -0.57 0.00 0.00 179.45 179.53 3iwp h LEU 108 N -1.00 -0.36 -1.80 2.94 6.46 -1.21 -0.23 115.31 120.11 3iwp h LEU 108 Ca -0.07 0.24 0.00 0.00 -0.12 0.00 0.00 57.88 57.93 3iwp h LEU 108 Cb 0.83 0.41 0.00 0.00 -0.73 0.00 0.00 40.66 41.17 3iwp h LEU 108 CO 0.03 -0.27 0.00 -1.22 -0.62 0.00 0.00 178.44 176.36 3iwp n TYR 109 N -5.41 0.44 0.00 1.25 4.01 -0.57 -4.92 117.16 111.95 3iwp n TYR 109 Ca 0.20 -0.22 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 3iwp n TYR 109 Cb 0.67 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.70 3iwp n TYR 109 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3iwp n GLY 110 N 1.34 1.47 3.63 2.72 0.00 -0.10 -4.59 105.19 109.66 3iwp n GLY 110 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.33 0.44 1.00 4.61 0.00 0.19 -4.84 120.51 121.58 3iwp n ALA 111 Ca 0.00 0.28 0.11 0.00 0.00 0.00 0.00 53.44 53.83 3iwp n ALA 111 Cb 0.00 -2.12 -0.02 0.00 0.00 0.00 0.00 19.45 17.31 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 0.63 1.85 -3.66 0.00 8.00 0.44 -4.79 116.55 119.02 3iwp n ASP 112 Ca 0.08 -1.42 -0.05 0.00 0.71 0.00 0.00 54.79 54.11 3iwp n ASP 112 Cb 0.37 0.57 -0.01 0.00 -0.02 0.00 0.00 41.12 42.03 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 -2.57 -0.32 0.05 0.44 0.00 -1.22 -4.32 107.32 99.38 3iwp s GLY 113 Ca 0.17 0.48 0.04 0.00 0.00 0.00 0.00 44.72 45.41 3iwp s GLY 113 CO 0.62 0.13 -0.11 1.08 0.00 0.00 0.00 173.10 174.82 3iwp s LEU 114 N -2.79 2.25 -0.07 0.66 1.43 -0.23 -1.60 118.68 118.35 3iwp s LEU 114 Ca 0.10 -0.56 0.01 0.00 -1.03 0.00 0.00 54.13 52.65 3iwp s LEU 114 Cb -0.01 -0.34 0.02 0.00 0.03 0.00 0.00 46.19 45.89 3iwp s LEU 114 CO -0.02 -0.13 -0.07 -0.69 0.23 0.00 0.00 176.35 175.67 3iwp s VAL 115 N -1.26 0.81 0.36 -1.59 1.01 -0.64 -0.63 120.40 118.46 3iwp s VAL 115 Ca -0.06 -0.25 -0.17 0.00 0.00 0.00 0.00 61.98 61.51 3iwp s VAL 115 Cb -0.10 -0.81 0.06 0.00 0.00 0.00 0.00 36.38 35.53 3iwp s VAL 115 CO 0.01 0.30 0.81 0.72 0.00 0.00 0.00 175.10 176.95 3iwp s PHE 116 N 1.09 0.10 -0.25 5.22 -0.12 -0.95 0.05 117.98 123.13 3iwp s PHE 116 Ca -0.08 -0.75 -0.27 0.00 -0.05 0.00 0.00 56.93 55.79 3iwp s PHE 116 Cb -0.14 0.82 0.13 0.00 -0.63 0.00 0.00 43.02 43.20 3iwp s PHE 116 CO -0.01 -1.50 1.07 0.20 -0.05 0.00 0.00 175.22 174.94 3iwp s GLY 117 N -3.10 -0.13 -0.05 1.99 0.00 -1.26 -1.63 107.32 103.14 3iwp s GLY 117 Ca 0.16 2.59 -0.02 0.00 0.00 0.00 0.00 44.72 47.45 3iwp s GLY 117 CO 0.11 1.60 0.10 0.00 0.00 0.00 0.00 173.10 174.91 3iwp s ALA 118 N -0.20 -0.10 0.20 3.20 0.00 -1.26 -4.85 121.76 118.75 3iwp s ALA 118 Ca 0.02 0.51 0.11 0.00 0.00 0.00 0.00 51.96 52.60 3iwp s ALA 118 Cb -0.04 -0.44 -0.04 0.00 0.00 0.00 0.00 23.12 22.60 3iwp s ALA 118 CO -0.05 -0.21 -0.19 -0.51 0.00 0.00 0.00 175.76 174.81 3iwp s LEU 119 N 1.33 2.63 0.66 0.00 1.43 0.23 -1.03 118.68 123.94 3iwp s LEU 119 Ca -0.07 -0.79 -0.07 0.00 -1.03 0.00 0.00 54.13 52.18 3iwp s LEU 119 Cb -0.12 -1.33 0.04 0.00 0.03 0.00 0.00 46.19 44.81 3iwp s LEU 119 CO -0.05 0.11 0.98 -0.89 0.23 0.00 0.00 176.35 176.73 3iwp s THR 120 N -1.77 2.89 0.37 5.49 2.01 0.12 -4.33 115.64 120.43 3iwp s THR 120 Ca 0.23 -0.10 0.37 0.00 0.31 0.00 0.00 61.69 62.50 3iwp s THR 120 Cb -0.08 -3.21 0.38 0.00 0.01 0.00 0.00 72.50 69.60 3iwp s THR 120 CO 0.12 -0.23 2.14 1.05 -0.69 0.00 0.00 174.62 177.01 3iwp h GLU 121 N -0.45 0.00 -0.21 4.92 4.11 -1.97 -1.95 114.58 119.03 3iwp h GLU 121 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.98 3iwp h GLU 121 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 3iwp h GLU 121 CO 0.61 0.00 0.00 -0.25 0.07 0.00 0.00 179.01 179.44 3iwp n ASP 122 N -2.83 1.96 0.00 3.06 8.00 -1.26 -4.91 116.55 120.58 3iwp n ASP 122 Ca -0.02 -1.78 0.00 0.00 0.71 0.00 0.00 54.79 53.70 3iwp n ASP 122 Cb 0.07 -0.14 0.00 0.00 -0.02 0.00 0.00 41.12 41.04 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 1.18 0.46 3.74 0.44 0.00 -0.73 -4.55 105.19 105.72 3iwp n GLY 123 Ca 0.16 -0.90 -0.33 0.00 0.00 0.00 0.00 46.02 44.95 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 3.19 0.50 1.61 3.76 -1.26 -0.34 115.29 120.75 3iwp s HIS 124 Ca 0.00 0.15 -0.24 0.00 -0.15 0.00 0.00 55.06 54.82 3iwp s HIS 124 Cb 0.00 -1.70 -0.07 0.00 1.11 0.00 0.00 32.58 31.92 3iwp s HIS 124 CO 0.00 0.51 1.39 0.96 -0.85 0.00 0.00 174.74 176.75 3iwp s ILE 125 N -1.15 2.09 -0.98 0.60 -4.36 -1.26 0.15 121.20 116.28 3iwp s ILE 125 Ca 0.21 0.07 -0.17 0.00 -0.26 0.00 0.00 60.65 60.50 3iwp s ILE 125 Cb -0.12 -3.04 0.15 0.00 1.25 0.00 0.00 42.46 40.70 3iwp s ILE 125 CO 0.12 0.00 1.16 -0.62 0.24 0.00 0.00 174.94 175.85 3iwp s ASP 126 N -0.73 6.73 0.13 4.36 3.68 -0.19 -4.58 116.67 126.07 3iwp s ASP 126 Ca 0.66 -2.29 -0.33 0.00 2.13 0.00 0.00 52.55 52.73 3iwp s ASP 126 Cb -0.42 -2.39 -0.10 0.00 -1.45 0.00 0.00 42.92 38.56 3iwp s ASP 126 CO 0.52 -0.96 1.55 0.11 0.13 0.00 0.00 175.17 176.52 3iwp h LYS 127 N 8.42 -0.37 -0.72 4.34 6.56 -1.90 -0.54 116.57 132.36 3iwp h LYS 127 Ca 0.19 0.03 0.15 0.00 -1.06 0.00 0.00 60.65 59.95 3iwp h LYS 127 Cb 0.99 0.08 -0.10 0.00 -0.57 0.00 0.00 32.23 32.63 3iwp h LYS 127 CO 1.11 -0.25 0.18 1.49 -2.06 0.00 0.00 179.45 179.93 3iwp h GLU 128 N -0.38 0.28 -0.16 3.15 4.81 -1.99 0.34 114.58 120.62 3iwp h GLU 128 Ca 0.08 -0.02 -0.19 0.00 -0.13 0.00 0.00 59.36 59.10 3iwp h GLU 128 Cb 0.59 -0.06 0.01 0.00 0.63 0.00 0.00 28.75 29.92 3iwp h GLU 128 CO -0.61 0.18 -0.64 1.25 -0.73 0.00 0.00 179.01 178.46 3iwp h LEU 129 N 0.29 0.85 -1.34 1.64 6.46 -1.82 -2.48 115.31 118.90 3iwp h LEU 129 Ca 0.40 -0.61 0.01 0.00 -0.12 0.00 0.00 57.88 57.56 3iwp h LEU 129 Cb 0.66 -0.25 -0.03 0.00 -0.73 0.00 0.00 40.66 40.31 3iwp h LEU 129 CO -0.48 1.32 0.45 0.00 -0.62 0.00 0.00 178.44 179.11 3iwp h MET 131 N 0.91 -0.07 -0.00 0.00 2.86 -0.09 -1.05 114.93 117.49 3iwp h MET 131 Ca 0.25 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.75 3iwp h MET 131 Cb -0.09 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.56 3iwp h MET 131 CO -0.06 0.04 -0.67 0.66 1.06 0.00 0.00 176.91 177.94 3iwp h SER 132 N -0.16 0.01 -0.28 1.22 4.64 -1.22 -2.41 113.55 115.35 3iwp h SER 132 Ca -0.01 -0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.18 3iwp h SER 132 Cb 0.14 -0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.23 3iwp h SER 132 CO 0.01 0.67 -0.33 -0.07 -0.87 0.00 0.00 176.83 176.25 3iwp h LEU 133 N 0.00 0.77 -1.27 5.97 3.38 -1.20 -3.16 115.31 119.80 3iwp h LEU 133 Ca -0.01 -0.49 0.06 0.00 0.09 0.00 0.00 57.88 57.53 3iwp h LEU 133 Cb 1.19 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 41.67 3iwp h LEU 133 CO 0.09 1.10 0.53 0.24 0.09 0.00 0.00 178.44 180.49 3iwp h MET 134 N 0.45 0.87 0.00 1.13 2.86 -1.09 -2.04 114.93 117.11 3iwp h MET 134 Ca 0.04 -0.05 -0.05 0.00 -2.06 0.00 0.00 59.70 57.58 3iwp h MET 134 Cb 0.91 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 32.37 3iwp h MET 134 CO 0.08 0.57 -0.22 0.00 1.06 0.00 0.00 176.91 178.41 3iwp h ALA 135 N 1.56 1.31 0.00 6.32 0.00 -1.40 -1.18 119.26 125.87 3iwp h ALA 135 Ca 0.34 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 3iwp h ALA 135 Cb 0.20 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3iwp h ALA 135 CO -0.12 0.27 -1.46 -0.89 0.00 0.00 0.00 179.25 177.06 3iwp n ILE 136 N -3.80 0.77 0.09 0.00 5.41 -0.97 -4.03 119.36 116.82 3iwp n ILE 136 Ca -0.02 -0.62 -0.16 0.00 1.00 0.00 0.00 62.75 62.96 3iwp n ILE 136 Cb 0.32 -0.43 -0.09 0.00 -0.71 0.00 0.00 39.64 38.72 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 -3.68 1.28 0.00 0.00 5.12 -0.50 -1.71 116.66 117.17 3iwp n ARG 138 Ca -0.09 0.46 0.13 0.00 -1.93 0.00 0.00 57.85 56.42 3iwp n ARG 138 Cb 0.93 -1.98 0.66 0.00 -1.16 0.00 0.00 32.46 30.91 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 0.22 0.33 -2.13 5.56 -0.04 -1.26 -5.03 135.00 132.65 3iwp n PRO 139 Ca 0.10 0.03 -0.40 0.00 -0.04 0.00 0.00 63.50 63.19 3iwp n PRO 139 Cb 0.39 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.33 3iwp n PRO 139 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3iwp s LEU 140 N -2.63 4.31 0.59 1.53 1.43 -0.69 -4.98 118.68 118.24 3iwp s LEU 140 Ca 0.24 2.61 -0.19 0.00 -1.03 0.00 0.00 54.13 55.75 3iwp s LEU 140 Cb 0.18 -3.81 -0.03 0.00 0.03 0.00 0.00 46.19 42.56 3iwp s LEU 140 CO 0.42 -0.68 1.28 -2.16 0.23 0.00 0.00 176.35 175.44 3iwp s PRO 141 N -2.04 2.90 -0.09 1.29 0.04 -1.26 -4.80 135.00 131.04 3iwp s PRO 141 Ca 0.53 2.02 0.01 0.00 0.04 0.00 0.00 61.00 63.60 3iwp s PRO 141 Cb -0.37 -2.01 0.02 0.00 0.04 0.00 0.00 34.50 32.18 3iwp s PRO 141 CO 0.49 -1.31 -0.09 0.08 0.04 0.00 0.00 177.00 176.20 3iwp s VAL 142 N -1.44 1.04 -0.15 -0.36 1.01 -1.26 -1.06 120.40 118.19 3iwp s VAL 142 Ca 0.77 -0.36 -0.06 0.00 0.00 0.00 0.00 61.98 62.33 3iwp s VAL 142 Cb -0.36 -1.01 -0.04 0.00 0.00 0.00 0.00 36.38 34.98 3iwp s VAL 142 CO 0.39 0.35 0.06 0.28 0.00 0.00 0.00 175.10 176.18 3iwp s THR 143 N 1.18 4.75 -0.19 3.92 -1.32 0.20 -2.70 115.64 121.47 3iwp s THR 143 Ca -0.05 -0.06 -0.25 0.00 -1.21 0.00 0.00 61.69 60.12 3iwp s THR 143 Cb -0.14 -3.09 -0.01 0.00 -1.51 0.00 0.00 72.50 67.74 3iwp s THR 143 CO -0.02 0.53 0.84 0.12 -2.21 0.00 0.00 174.62 173.87 3iwp s PHE 144 N -0.18 3.39 0.00 9.09 5.36 0.12 -2.25 117.98 133.50 3iwp s PHE 144 Ca 0.07 1.22 0.00 0.00 -0.96 0.00 0.00 56.93 57.27 3iwp s PHE 144 Cb -0.12 -3.03 0.00 0.00 -0.34 0.00 0.00 43.02 39.53 3iwp s PHE 144 CO 0.01 -0.29 0.00 -2.39 -1.46 0.00 0.00 175.22 171.09 3iwp n HIS 145 N 5.49 0.00 0.36 10.12 1.44 -0.65 -0.63 115.22 131.34 3iwp n HIS 145 Ca 0.05 0.00 0.04 0.00 -2.01 0.00 0.00 57.72 55.80 3iwp n HIS 145 Cb 0.48 0.00 0.20 0.00 0.12 0.00 0.00 29.99 30.79 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 0.09 0.15 -1.40 5.12 -1.23 -1.09 116.66 118.30 3iwp n ARG 146 Ca 0.00 0.25 0.18 0.00 -1.93 0.00 0.00 57.85 56.35 3iwp n ARG 146 Cb 0.00 -1.50 0.66 0.00 -1.16 0.00 0.00 32.46 30.46 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 2.36 1.98 -0.08 7.54 0.00 -1.91 0.47 119.26 129.61 3iwp h ALA 147 Ca 0.00 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 3iwp h ALA 147 Cb 0.09 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3iwp h ALA 147 CO 0.00 -0.73 -0.24 0.35 0.00 0.00 0.00 179.25 178.63 3iwp h PHE 148 N 0.00 0.14 0.00 0.00 3.57 -1.38 -1.94 116.94 117.33 3iwp h PHE 148 Ca 0.16 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.64 3iwp h PHE 148 Cb 1.28 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.98 3iwp h PHE 148 CO 0.00 0.37 0.00 -0.44 -2.23 0.00 0.00 178.31 176.01 3iwp h ASP 149 N 0.12 0.00 -0.53 0.41 3.32 -0.29 -2.91 116.42 116.54 3iwp h ASP 149 Ca 0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.07 3iwp h ASP 149 Cb 0.49 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.04 3iwp h ASP 149 CO 0.03 0.00 0.00 0.23 -1.72 0.00 0.00 179.24 177.78 3iwp n MET 150 N -2.84 2.69 -3.01 3.56 2.81 -0.73 -4.44 117.12 115.15 3iwp n MET 150 Ca 0.01 -2.11 -0.33 0.00 -1.81 0.00 0.00 57.70 53.46 3iwp n MET 150 Cb 0.29 -1.59 -0.06 0.00 -0.71 0.00 0.00 33.22 31.15 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 -1.50 4.55 -0.05 2.03 1.01 -1.10 -4.77 120.40 120.56 3iwp s VAL 151 Ca 0.38 1.22 -0.21 0.00 0.00 0.00 0.00 61.98 63.37 3iwp s VAL 151 Cb 0.22 -3.67 -0.16 0.00 0.00 0.00 0.00 36.38 32.77 3iwp s VAL 151 CO 0.22 -0.15 0.90 -0.74 0.00 0.00 0.00 175.10 175.33 3iwp h HIS 152 N 2.38 -0.20 -3.53 5.22 2.76 -0.93 -3.41 115.15 117.44 3iwp h HIS 152 Ca -0.48 -0.00 -0.70 0.00 -2.20 0.00 0.00 60.37 56.99 3iwp h HIS 152 Cb 1.18 0.07 -0.35 0.00 1.55 0.00 0.00 27.41 29.86 3iwp h HIS 152 CO 0.62 0.24 -0.39 0.34 -1.30 0.00 0.00 177.93 177.44 3iwp s ASP 153 N -5.47 5.29 0.20 3.26 -1.08 -1.26 -4.99 116.67 112.62 3iwp s ASP 153 Ca -0.13 -2.65 -0.08 0.00 -0.52 0.00 0.00 52.55 49.18 3iwp s ASP 153 Cb 0.01 -1.86 0.13 0.00 -1.46 0.00 0.00 42.92 39.74 3iwp s ASP 153 CO 0.49 -0.42 1.70 1.55 0.52 0.00 0.00 175.17 179.00 3iwp h PRO 154 N 7.31 1.07 -0.84 4.34 0.13 -1.92 0.13 132.00 142.21 3iwp h PRO 154 Ca -0.04 -0.29 -0.02 0.00 -0.87 0.00 0.00 66.00 64.77 3iwp h PRO 154 Cb 0.98 -0.12 -0.04 0.00 0.13 0.00 0.00 31.00 31.95 3iwp h PRO 154 CO 0.72 0.99 0.45 0.52 -0.23 0.00 0.00 178.00 180.45 3iwp h MET 155 N 1.00 1.18 -0.33 0.86 2.86 -1.99 0.37 114.93 118.87 3iwp h MET 155 Ca 0.19 -0.15 -0.12 0.00 -2.06 0.00 0.00 59.70 57.56 3iwp h MET 155 Cb 0.46 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 31.89 3iwp h MET 155 CO 0.02 0.88 -0.27 0.00 1.06 0.00 0.00 176.91 178.59 3iwp h ALA 156 N 1.24 0.47 -0.38 6.32 0.00 -1.95 -2.68 119.26 122.28 3iwp h ALA 156 Ca 0.29 -0.40 0.07 0.00 0.00 0.00 0.00 54.91 54.88 3iwp h ALA 156 Cb 0.05 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.68 3iwp h ALA 156 CO -0.04 0.48 0.01 0.00 0.00 0.00 0.00 179.25 179.69 3iwp h ALA 157 N 0.74 0.35 -0.68 0.00 0.00 0.25 -0.84 119.26 119.08 3iwp h ALA 157 Ca 0.06 0.11 0.10 0.00 0.00 0.00 0.00 54.91 55.18 3iwp h ALA 157 Cb 0.84 0.18 -0.07 0.00 0.00 0.00 0.00 17.79 18.73 3iwp h ALA 157 CO 0.07 -0.39 0.31 1.25 0.00 0.00 0.00 179.25 180.49 3iwp h LEU 158 N 0.11 0.36 0.23 0.00 5.85 -0.26 0.27 115.31 121.88 3iwp h LEU 158 Ca 0.19 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.98 3iwp h LEU 158 Cb 0.26 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 3iwp h LEU 158 CO -0.31 0.20 -0.23 -0.08 -0.34 0.00 0.00 178.44 177.69 3iwp h GLU 159 N 0.52 -0.47 -0.89 1.25 4.57 -0.92 -2.06 114.58 116.58 3iwp h GLU 159 Ca 0.35 0.03 0.11 0.00 -1.18 0.00 0.00 59.36 58.67 3iwp h GLU 159 Cb 0.41 0.11 -0.07 0.00 -0.16 0.00 0.00 28.75 29.04 3iwp h GLU 159 CO -0.30 -0.32 0.58 1.15 -1.18 0.00 0.00 179.01 178.94 3iwp h THR 160 N -0.49 0.93 -0.62 0.32 2.02 -0.60 -2.25 112.91 112.22 3iwp h THR 160 Ca -0.00 -0.29 -0.02 0.00 0.77 0.00 0.00 66.41 66.87 3iwp h THR 160 Cb 0.46 0.02 -0.03 0.00 -1.74 0.00 0.00 68.15 66.86 3iwp h THR 160 CO -0.05 0.15 0.30 -0.07 0.37 0.00 0.00 175.52 176.22 3iwp h LEU 161 N 0.84 0.80 -0.03 2.58 3.38 -0.30 -2.07 115.31 120.51 3iwp h LEU 161 Ca 0.43 -0.13 -0.17 0.00 0.09 0.00 0.00 57.88 58.10 3iwp h LEU 161 Cb 0.49 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 41.05 3iwp h LEU 161 CO -0.19 0.71 -0.63 0.17 0.09 0.00 0.00 178.44 178.59 3iwp h LEU 162 N 0.84 0.60 -1.97 1.67 8.10 -0.85 -1.36 115.31 122.35 3iwp h LEU 162 Ca 0.21 -0.72 0.25 0.00 0.11 0.00 0.00 57.88 57.73 3iwp h LEU 162 Cb 0.12 -0.18 -0.04 0.00 -0.44 0.00 0.00 40.66 40.12 3iwp h LEU 162 CO -0.03 1.24 0.63 0.71 -4.11 0.00 0.00 178.44 176.89 3iwp h THR 163 N 0.02 0.56 0.00 0.15 1.35 -1.46 0.34 112.91 113.87 3iwp h THR 163 Ca -0.07 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 65.78 3iwp h THR 163 Cb 1.31 0.54 0.00 0.00 -1.73 0.00 0.00 68.15 68.27 3iwp h THR 163 CO 0.12 0.00 -0.22 -0.07 -0.25 0.00 0.00 175.52 175.11 3iwp h LEU 164 N 0.02 0.00 0.00 3.87 3.38 -0.96 -3.48 115.31 118.14 3iwp h LEU 164 Ca 0.42 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.36 3iwp h LEU 164 Cb 1.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.41 3iwp h LEU 164 CO -0.02 0.01 0.00 0.61 0.09 0.00 0.00 178.44 179.14 3iwp n GLY 165 N 1.21 0.73 3.71 0.83 0.00 0.12 -5.04 105.19 106.74 3iwp n GLY 165 Ca 0.04 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 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 2.70 0.36 1.61 0.40 -1.08 -4.88 117.98 115.09 3iwp s PHE 166 Ca 0.00 0.36 0.07 0.00 -0.60 0.00 0.00 56.93 56.77 3iwp s PHE 166 Cb 0.00 -4.03 0.69 0.00 0.51 0.00 0.00 43.02 40.18 3iwp s PHE 166 CO 0.00 -4.01 1.88 0.93 0.70 0.00 0.00 175.22 174.72 3iwp h GLU 167 N 7.49 0.35 -3.57 0.44 3.07 -1.87 -3.45 114.58 117.05 3iwp h GLU 167 Ca -0.43 -0.08 -0.12 0.00 -0.50 0.00 0.00 59.36 58.22 3iwp h GLU 167 Cb 1.21 -0.05 -0.18 0.00 -0.84 0.00 0.00 28.75 28.88 3iwp h GLU 167 CO 0.93 0.47 -0.44 1.03 -1.40 0.00 0.00 179.01 179.60 3iwp s ARG 168 N -4.78 0.62 -0.02 2.33 0.52 -1.22 -0.83 118.95 115.57 3iwp s ARG 168 Ca -0.06 -0.57 0.02 0.00 -0.52 0.00 0.00 55.73 54.60 3iwp s ARG 168 Cb 0.15 0.25 0.00 0.00 0.52 0.00 0.00 34.95 35.88 3iwp s ARG 168 CO 0.75 -0.17 -0.08 0.08 0.02 0.00 0.00 175.30 175.91 3iwp s VAL 169 N -2.21 0.64 -0.21 3.52 1.01 -0.31 0.12 120.40 122.97 3iwp s VAL 169 Ca -0.08 -0.31 -0.06 0.00 0.00 0.00 0.00 61.98 61.53 3iwp s VAL 169 Cb -0.03 -0.57 -0.03 0.00 0.00 0.00 0.00 36.38 35.75 3iwp s VAL 169 CO -0.02 0.20 0.04 -0.22 0.00 0.00 0.00 175.10 175.09 3iwp s LEU 170 N 0.08 3.46 -0.07 3.92 0.20 0.20 -0.13 118.68 126.33 3iwp s LEU 170 Ca -0.01 -0.12 -0.17 0.00 0.69 0.00 0.00 54.13 54.52 3iwp s LEU 170 Cb -0.06 -1.89 0.04 0.00 -0.43 0.00 0.00 46.19 43.84 3iwp s LEU 170 CO -0.00 0.07 0.40 0.28 -0.29 0.00 0.00 176.35 176.81 3iwp s THR 171 N 0.98 0.03 -0.25 3.68 -1.32 0.41 -3.48 115.64 115.70 3iwp s THR 171 Ca 0.03 -0.23 0.12 0.00 -1.21 0.00 0.00 61.69 60.39 3iwp s THR 171 Cb -0.14 -0.66 0.50 0.00 -1.51 0.00 0.00 72.50 70.70 3iwp s THR 171 CO 0.02 -0.13 1.44 -1.54 -2.21 0.00 0.00 174.62 172.20 3iwp n SER 172 N 1.82 2.96 -2.81 8.08 3.41 -1.23 0.04 113.62 125.89 3iwp n SER 172 Ca -0.18 -3.48 -0.20 0.00 -0.26 0.00 0.00 58.87 54.75 3iwp n SER 172 Cb 0.57 -0.60 0.04 0.00 -0.26 0.00 0.00 64.21 63.96 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 -0.94 -0.35 2.42 5.00 0.00 -1.26 -2.72 105.19 107.34 3iwp n GLY 173 Ca 0.29 0.05 -0.20 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.74 0.41 0.20 0.00 4.64 -1.10 -4.99 116.55 113.98 3iwp n ASP 175 Ca -0.23 -2.25 0.15 0.00 -1.38 0.00 0.00 54.79 51.08 3iwp n ASP 175 Cb 0.68 0.76 0.58 0.00 -1.04 0.00 0.00 41.12 42.10 3iwp n ASP 175 CO 0.00 0.00 0.00 0.77 -0.82 0.00 0.00 177.20 177.15 3iwp h SER 176 N 1.04 0.00 -5.10 1.67 4.64 -1.93 -3.46 113.55 110.42 3iwp h SER 176 Ca -0.16 0.00 0.19 0.00 -0.47 0.00 0.00 61.79 61.35 3iwp h SER 176 Cb 0.69 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 62.66 3iwp h SER 176 CO 0.25 0.00 0.58 -0.94 -0.87 0.00 0.00 176.83 175.85 3iwp s SER 177 N -4.95 -0.21 0.11 4.97 1.04 -1.26 -4.91 113.70 108.49 3iwp s SER 177 Ca 0.03 -0.20 -0.21 0.00 0.48 0.00 0.00 55.95 56.05 3iwp s SER 177 Cb 0.09 0.36 -0.10 0.00 0.10 0.00 0.00 66.02 66.47 3iwp s SER 177 CO 0.47 -0.64 1.74 0.00 0.98 0.00 0.00 173.24 175.79 3iwp h ALA 178 N 2.00 0.10 -0.83 5.32 0.00 -0.66 0.14 119.26 125.34 3iwp h ALA 178 Ca -0.23 0.01 0.10 0.00 0.00 0.00 0.00 54.91 54.78 3iwp h ALA 178 Cb 1.22 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.94 3iwp h ALA 178 CO 0.27 -0.43 0.47 1.25 0.00 0.00 0.00 179.25 180.82 3iwp h LEU 179 N 0.08 0.68 -0.58 0.00 5.85 -1.90 0.26 115.31 119.70 3iwp h LEU 179 Ca 0.04 0.05 -0.15 0.00 0.84 0.00 0.00 57.88 58.66 3iwp h LEU 179 Cb 0.02 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 3iwp h LEU 179 CO -0.04 0.38 -0.45 -0.33 -0.34 0.00 0.00 178.44 177.66 3iwp h GLU 180 N 0.79 0.61 -0.10 1.25 4.39 -1.73 -2.77 114.58 117.03 3iwp h GLU 180 Ca 0.40 -0.34 0.00 0.00 0.34 0.00 0.00 59.36 59.76 3iwp h GLU 180 Cb 0.37 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.04 3iwp h GLU 180 CO -0.25 0.94 0.00 0.41 -1.16 0.00 0.00 179.01 178.95 3iwp n GLY 181 N 0.10 -0.03 0.33 -3.84 0.00 0.44 -4.54 105.19 97.65 3iwp n GLY 181 Ca -0.02 -0.37 0.03 0.00 0.00 0.00 0.00 46.02 45.66 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 1.84 -0.86 -1.61 0.99 5.85 -0.22 -0.39 115.31 120.91 3iwp h LEU 182 Ca 0.00 0.27 0.01 0.00 0.84 0.00 0.00 57.88 58.99 3iwp h LEU 182 Cb 0.40 0.56 -0.02 0.00 0.37 0.00 0.00 40.66 41.97 3iwp h LEU 182 CO 0.00 -0.29 0.27 -0.65 -0.34 0.00 0.00 178.44 177.43 3iwp h PRO 183 N -0.00 0.52 -0.06 5.25 0.11 -1.84 -0.29 132.00 135.69 3iwp h PRO 183 Ca 0.41 -0.03 -0.20 0.00 0.11 0.00 0.00 66.00 66.29 3iwp h PRO 183 Cb 0.64 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 31.63 3iwp h PRO 183 CO -0.91 0.34 -0.82 1.25 -0.21 0.00 0.00 178.00 177.66 3iwp h LEU 184 N 0.53 0.56 -0.39 2.35 5.85 -1.41 -2.40 115.31 120.41 3iwp h LEU 184 Ca 0.15 -0.40 0.06 0.00 0.84 0.00 0.00 57.88 58.53 3iwp h LEU 184 Cb -0.04 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 40.77 3iwp h LEU 184 CO -0.03 1.16 0.08 0.40 -0.34 0.00 0.00 178.44 179.71 3iwp h ILE 185 N 0.29 0.80 -0.36 4.05 2.04 -0.53 -0.47 117.51 123.34 3iwp h ILE 185 Ca -0.05 -0.07 0.06 0.00 1.00 0.00 0.00 64.86 65.80 3iwp h ILE 185 Cb 1.42 0.58 -0.06 0.00 -0.74 0.00 0.00 36.82 38.02 3iwp h ILE 185 CO 0.14 0.04 0.00 0.50 0.00 0.00 0.00 178.15 178.83 3iwp h LYS 186 N 0.21 0.10 -0.24 2.37 3.11 -1.02 -0.55 116.57 120.55 3iwp h LYS 186 Ca 0.19 -0.01 -0.06 0.00 -2.81 0.00 0.00 60.65 57.96 3iwp h LYS 186 Cb 0.22 -0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 31.41 3iwp h LYS 186 CO -0.24 0.07 -0.11 0.00 -2.81 0.00 0.00 179.45 176.35 3iwp h ARG 187 N 0.10 0.39 -0.07 1.90 3.08 -0.90 -2.08 114.38 116.80 3iwp h ARG 187 Ca 0.17 -0.10 -0.02 0.00 0.07 0.00 0.00 59.98 60.11 3iwp h ARG 187 Cb 0.24 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.24 3iwp h ARG 187 CO -0.29 0.51 -0.03 -0.07 -1.07 0.00 0.00 179.97 179.02 3iwp h LEU 188 N 0.36 0.15 -0.89 3.04 3.38 0.31 -0.97 115.31 120.69 3iwp h LEU 188 Ca 0.07 -0.41 0.15 0.00 0.09 0.00 0.00 57.88 57.78 3iwp h LEU 188 Cb 0.43 -0.04 -0.09 0.00 0.09 0.00 0.00 40.66 41.04 3iwp h LEU 188 CO 0.02 0.53 0.49 0.40 0.09 0.00 0.00 178.44 179.97 3iwp h ILE 189 N -0.23 0.75 -0.40 1.22 1.08 -0.96 -0.76 117.51 118.21 3iwp h ILE 189 Ca 0.02 -0.24 -0.03 0.00 -0.39 0.00 0.00 64.86 64.22 3iwp h ILE 189 Cb 0.47 0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 34.20 3iwp h ILE 189 CO 0.01 0.13 0.13 -0.33 -0.69 0.00 0.00 178.15 177.40 3iwp h GLU 190 N 0.69 0.61 -0.21 2.37 5.08 -1.08 -2.78 114.58 119.25 3iwp h GLU 190 Ca 0.48 -0.13 -0.05 0.00 -1.00 0.00 0.00 59.36 58.66 3iwp h GLU 190 Cb 0.67 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 3iwp h GLU 190 CO -0.35 0.60 -0.11 0.37 -1.00 0.00 0.00 179.01 178.52 3iwp h GLN 191 N 0.49 0.33 -0.20 2.33 4.15 -0.55 -3.18 115.11 118.49 3iwp h GLN 191 Ca 0.13 -0.08 -0.12 0.00 0.77 0.00 0.00 58.65 59.35 3iwp h GLN 191 Cb 0.24 -0.04 -0.00 0.00 0.21 0.00 0.00 27.48 27.89 3iwp h GLN 191 CO -0.01 0.46 -0.34 0.00 -1.93 0.00 0.00 178.83 177.01 3iwp h ALA 192 N 1.57 0.31 -6.04 3.38 0.00 -1.07 -3.48 119.26 113.94 3iwp h ALA 192 Ca 0.06 -0.42 -0.42 0.00 0.00 0.00 0.00 54.91 54.12 3iwp h ALA 192 Cb 0.40 -0.06 0.06 0.00 0.00 0.00 0.00 17.79 18.20 3iwp h ALA 192 CO 0.02 0.36 -0.74 1.63 0.00 0.00 0.00 179.25 180.53 3iwp n LYS 193 N -4.30 -6.51 -0.26 0.00 5.02 -1.06 -1.62 118.16 109.42 3iwp n LYS 193 Ca -0.06 0.71 0.00 0.00 -2.02 0.00 0.00 58.31 56.95 3iwp n LYS 193 Cb 0.50 -5.64 0.00 0.00 -0.02 0.00 0.00 35.03 29.87 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 -1.74 1.24 0.24 0.72 0.00 -1.26 -4.84 105.19 99.55 3iwp n GLY 194 Ca -0.05 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.03 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 1.25 0.09 -3.87 1.61 3.08 -1.69 -3.43 114.38 111.42 3iwp h ARG 195 Ca 0.00 -0.01 -0.26 0.00 0.07 0.00 0.00 59.98 59.78 3iwp h ARG 195 Cb 0.00 -0.02 -0.28 0.00 0.08 0.00 0.00 29.97 29.75 3iwp h ARG 195 CO 0.00 0.18 -0.73 -1.50 -1.07 0.00 0.00 179.97 176.85 3iwp s ILE 196 N -4.84 0.11 -0.63 2.04 2.07 -1.26 -4.95 121.20 113.74 3iwp s ILE 196 Ca -0.05 -0.05 -0.27 0.00 -1.41 0.00 0.00 60.65 58.87 3iwp s ILE 196 Cb 0.16 -0.10 0.03 0.00 0.13 0.00 0.00 42.46 42.68 3iwp s ILE 196 CO 0.70 0.03 1.20 -0.69 -1.91 0.00 0.00 174.94 174.27 3iwp s VAL 197 N 0.02 3.95 -0.29 4.00 1.01 -0.01 -4.85 120.40 124.23 3iwp s VAL 197 Ca 0.00 0.67 -0.29 0.00 0.00 0.00 0.00 61.98 62.36 3iwp s VAL 197 Cb -0.01 -4.78 0.01 0.00 0.00 0.00 0.00 36.38 31.60 3iwp s VAL 197 CO -0.00 -1.50 1.10 -0.69 0.00 0.00 0.00 175.10 174.01 3iwp s VAL 198 N 5.12 4.50 -0.29 2.92 1.01 -1.26 -1.16 120.40 131.24 3iwp s VAL 198 Ca 0.39 1.75 -0.06 0.00 0.00 0.00 0.00 61.98 64.06 3iwp s VAL 198 Cb -0.08 -4.35 0.01 0.00 0.00 0.00 0.00 36.38 31.96 3iwp s VAL 198 CO 0.21 -0.40 0.07 -0.04 0.00 0.00 0.00 175.10 174.94 3iwp s MET 199 N 3.60 3.09 0.34 2.72 -1.94 0.81 -4.70 119.30 123.22 3iwp s MET 199 Ca 0.47 -0.85 -0.29 0.00 -1.71 0.00 0.00 55.69 53.31 3iwp s MET 199 Cb -0.14 -3.33 -0.10 0.00 2.01 0.00 0.00 34.83 33.27 3iwp s MET 199 CO 0.14 -0.43 1.37 -1.25 -0.01 0.00 0.00 175.02 174.85 3iwp s PRO 200 N 1.49 4.27 0.08 2.03 0.04 -1.25 -0.45 135.00 141.21 3iwp s PRO 200 Ca 0.02 2.33 -0.12 0.00 0.04 0.00 0.00 61.00 63.28 3iwp s PRO 200 Cb -0.17 -3.04 0.01 0.00 0.04 0.00 0.00 34.50 31.34 3iwp s PRO 200 CO 0.02 -0.31 0.28 0.20 0.04 0.00 0.00 177.00 177.22 3iwp s GLY 201 N -0.31 -0.07 0.00 0.56 0.00 0.11 -1.82 107.32 105.80 3iwp s GLY 201 Ca 0.51 -0.26 0.00 0.00 0.00 0.00 0.00 44.72 44.97 3iwp s GLY 201 CO 0.55 -0.47 0.00 0.61 0.00 0.00 0.00 173.10 173.79 3iwp n GLY 202 N 0.17 0.39 1.90 0.20 0.00 -1.26 -3.53 105.19 103.06 3iwp n GLY 202 Ca -0.17 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.05 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 0.78 0.42 3.70 -0.02 0.00 -1.26 -0.22 105.19 108.59 3iwp n GLY 203 Ca 0.00 -1.01 -0.42 0.00 0.00 0.00 0.00 46.02 44.59 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 -2.00 4.79 0.38 -0.61 1.01 -1.26 -4.91 121.20 118.60 3iwp s ILE 204 Ca 0.00 2.01 0.04 0.00 0.00 0.00 0.00 60.65 62.71 3iwp s ILE 204 Cb 0.00 -4.29 -0.03 0.00 0.01 0.00 0.00 42.46 38.15 3iwp s ILE 204 CO 0.00 0.11 0.17 0.42 0.00 0.00 0.00 174.94 175.63 3iwp s THR 205 N 1.34 0.43 0.22 2.92 -4.23 -1.26 -4.47 115.64 110.59 3iwp s THR 205 Ca 0.51 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 58.93 3iwp s THR 205 Cb -0.21 -2.40 0.21 0.00 1.34 0.00 0.00 72.50 71.44 3iwp s THR 205 CO 0.25 0.00 1.67 0.44 -0.54 0.00 0.00 174.62 176.44 3iwp h ASP 206 N 1.92 -0.18 0.89 3.99 3.45 -1.95 -1.64 116.42 122.89 3iwp h ASP 206 Ca -0.33 0.15 -0.01 0.00 0.43 0.00 0.00 57.03 57.27 3iwp h ASP 206 Cb 1.26 0.25 -0.00 0.00 -0.56 0.00 0.00 39.33 40.28 3iwp h ASP 206 CO 0.52 -0.09 -0.05 0.03 -1.57 0.00 0.00 179.24 178.08 3iwp h ARG 207 N 0.16 0.00 0.03 3.56 3.08 -1.98 -3.32 114.38 115.92 3iwp h ARG 207 Ca 0.35 0.00 -0.37 0.00 0.07 0.00 0.00 59.98 60.03 3iwp h ARG 207 Cb 0.57 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.57 3iwp h ARG 207 CO -0.52 0.05 -2.25 0.09 -1.07 0.00 0.00 179.97 176.27 3iwp n ASN 208 N -3.18 1.40 -0.02 7.04 3.02 -0.83 -4.78 115.26 117.91 3iwp n ASN 208 Ca 0.00 0.04 -0.09 0.00 -0.03 0.00 0.00 54.58 54.50 3iwp n ASN 208 Cb 0.31 -0.13 -0.04 0.00 -0.61 0.00 0.00 39.78 39.31 3iwp n ASN 208 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 3iwp h LEU 209 N 0.02 -0.16 -0.62 3.41 6.46 -1.42 -2.30 115.31 120.69 3iwp h LEU 209 Ca -0.50 0.05 0.06 0.00 -0.12 0.00 0.00 57.88 57.37 3iwp h LEU 209 Cb 2.03 0.10 -0.06 0.00 -0.73 0.00 0.00 40.66 42.01 3iwp h LEU 209 CO 0.00 -0.06 0.32 -0.61 -0.62 0.00 0.00 178.44 177.47 3iwp h GLN 210 N -0.01 0.58 -0.71 1.25 4.15 -1.86 0.29 115.11 118.79 3iwp h GLN 210 Ca 0.08 -0.03 -0.05 0.00 0.77 0.00 0.00 58.65 59.41 3iwp h GLN 210 Cb 0.13 -0.13 -0.03 0.00 0.21 0.00 0.00 27.48 27.66 3iwp h GLN 210 CO -0.16 0.38 0.25 0.00 -1.93 0.00 0.00 178.83 177.36 3iwp h ARG 211 N 0.60 1.08 -0.47 1.69 3.08 -1.76 0.30 114.38 118.90 3iwp h ARG 211 Ca 0.28 -0.22 -0.12 0.00 0.07 0.00 0.00 59.98 59.99 3iwp h ARG 211 Cb 0.21 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 3iwp h ARG 211 CO -0.20 0.92 -0.19 0.82 -1.07 0.00 0.00 179.97 180.25 3iwp h ILE 212 N 1.03 1.27 0.49 2.04 2.04 -0.78 -1.36 117.51 122.24 3iwp h ILE 212 Ca 0.23 -1.34 -0.02 0.00 1.00 0.00 0.00 64.86 64.73 3iwp h ILE 212 Cb 0.27 1.11 0.00 0.00 -0.74 0.00 0.00 36.82 37.46 3iwp h ILE 212 CO -0.01 0.46 -0.24 -0.07 0.00 0.00 0.00 178.15 178.29 3iwp h LEU 213 N 0.81 -0.56 -2.49 1.44 3.38 0.02 -2.98 115.31 114.94 3iwp h LEU 213 Ca 0.11 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.12 3iwp h LEU 213 Cb 0.75 0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.64 3iwp h LEU 213 CO 0.06 -0.16 0.09 -0.33 0.09 0.00 0.00 178.44 178.19 3iwp h GLU 214 N -1.15 0.00 -0.01 1.13 5.08 -0.50 -1.62 114.58 117.52 3iwp h GLU 214 Ca -0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3iwp h GLU 214 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 3iwp h GLU 214 CO 0.11 0.00 -0.40 0.41 -1.00 0.00 0.00 179.01 178.13 3iwp n GLY 215 N -1.28 -0.43 0.00 -3.84 0.00 -0.51 -4.47 105.19 94.66 3iwp n GLY 215 Ca -0.02 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.51 4.50 0.00 1.61 3.41 -0.68 -4.67 113.62 117.29 3iwp n SER 216 Ca 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.71 3iwp n SER 216 Cb 0.39 0.41 0.00 0.00 -0.26 0.00 0.00 64.21 64.75 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 2.86 0.72 3.74 5.00 0.00 -0.79 -4.61 105.19 112.11 3iwp n GLY 217 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.63 2.61 -0.03 4.61 0.00 -1.26 -4.96 121.76 120.10 3iwp s ALA 218 Ca 0.00 1.21 0.08 0.00 0.00 0.00 0.00 51.96 53.25 3iwp s ALA 218 Cb 0.00 -3.53 -0.12 0.00 0.00 0.00 0.00 23.12 19.47 3iwp s ALA 218 CO 0.00 -1.38 0.13 0.25 0.00 0.00 0.00 175.76 174.75 3iwp n THR 219 N -1.44 0.18 -4.86 0.00 -2.24 -1.26 -4.95 114.28 99.72 3iwp n THR 219 Ca 0.13 -0.24 -0.33 0.00 -2.27 0.00 0.00 64.05 61.34 3iwp n THR 219 Cb 0.47 -0.07 -0.13 0.00 -2.10 0.00 0.00 70.33 68.50 3iwp n THR 219 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3iwp s GLU 220 N -2.45 2.59 0.04 -0.78 2.02 -1.26 -0.82 118.70 118.04 3iwp s GLU 220 Ca -0.03 -0.68 -0.04 0.00 0.02 0.00 0.00 54.97 54.24 3iwp s GLU 220 Cb 0.04 -2.41 -0.02 0.00 0.10 0.00 0.00 34.13 31.84 3iwp s GLU 220 CO 0.34 0.60 0.06 -0.59 0.02 0.00 0.00 175.26 175.68 3iwp s PHE 221 N -0.66 0.25 -0.12 1.61 -0.12 -0.74 -3.89 117.98 114.31 3iwp s PHE 221 Ca 0.10 -0.58 0.02 0.00 -0.05 0.00 0.00 56.93 56.42 3iwp s PHE 221 Cb -0.11 -0.18 -0.00 0.00 -0.63 0.00 0.00 43.02 42.09 3iwp s PHE 221 CO 0.01 -0.33 -0.19 -1.58 -0.05 0.00 0.00 175.22 173.08 3iwp s HIS 222 N -2.55 2.68 0.27 3.49 5.65 -0.75 -1.13 115.29 122.95 3iwp s HIS 222 Ca -0.06 -0.92 0.03 0.00 0.25 0.00 0.00 55.06 54.36 3iwp s HIS 222 Cb -0.02 -1.79 -0.04 0.00 -1.18 0.00 0.00 32.58 29.56 3iwp s HIS 222 CO -0.05 -0.36 0.19 0.00 -0.65 0.00 0.00 174.74 173.87 3iwp n SER 224 N -0.87 1.55 -3.57 0.00 2.88 -1.26 -3.56 113.62 108.79 3iwp n SER 224 Ca 0.04 0.26 -0.26 0.00 -1.33 0.00 0.00 58.87 57.58 3iwp n SER 224 Cb 0.64 -0.59 0.04 0.00 -0.75 0.00 0.00 64.21 63.55 3iwp n SER 224 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3iwp n ALA 225 N -4.04 -1.19 -2.71 -1.46 0.00 -1.26 -4.81 120.51 105.04 3iwp n ALA 225 Ca -0.21 0.26 -0.27 0.00 0.00 0.00 0.00 53.44 53.22 3iwp n ALA 225 Cb 0.52 -4.40 -0.03 0.00 0.00 0.00 0.00 19.45 15.53 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 -6.27 3.54 0.08 0.00 0.52 -1.26 -0.74 118.95 114.82 3iwp s ARG 226 Ca 0.54 -0.27 0.02 0.00 -0.52 0.00 0.00 55.73 55.50 3iwp s ARG 226 Cb -0.26 -2.78 -0.03 0.00 0.52 0.00 0.00 34.95 32.39 3iwp s ARG 226 CO 0.66 0.34 -0.08 -1.54 0.02 0.00 0.00 175.30 174.71 3iwp s SER 227 N -3.24 1.12 0.33 0.23 1.04 -0.51 -4.84 113.70 107.82 3iwp s SER 227 Ca 0.40 -0.82 -0.12 0.00 0.48 0.00 0.00 55.95 55.89 3iwp s SER 227 Cb -0.11 0.06 -0.08 0.00 0.10 0.00 0.00 66.02 65.99 3iwp s SER 227 CO 0.30 -0.34 0.69 0.42 0.98 0.00 0.00 173.24 175.29 3iwp s THR 228 N -2.65 4.79 -0.04 2.02 -4.23 -1.26 -1.53 115.64 112.74 3iwp s THR 228 Ca 0.03 0.68 -0.03 0.00 -1.18 0.00 0.00 61.69 61.19 3iwp s THR 228 Cb -0.01 -3.66 0.02 0.00 1.34 0.00 0.00 72.50 70.19 3iwp s THR 228 CO -0.02 -0.27 0.10 -0.13 -0.54 0.00 0.00 174.62 173.75 3iwp s ARG 229 N -3.26 0.08 0.53 3.99 0.52 0.17 -4.94 118.95 116.05 3iwp s ARG 229 Ca 0.51 0.19 -0.21 0.00 -0.52 0.00 0.00 55.73 55.71 3iwp s ARG 229 Cb -0.10 -0.04 -0.05 0.00 0.52 0.00 0.00 34.95 35.27 3iwp s ARG 229 CO 0.23 -0.07 1.20 0.34 0.02 0.00 0.00 175.30 177.03 3iwp s ASP 230 N 0.45 5.62 0.71 0.23 2.15 -1.26 0.51 116.67 125.08 3iwp s ASP 230 Ca -0.03 2.38 -0.16 0.00 0.43 0.00 0.00 52.55 55.17 3iwp s ASP 230 Cb -0.05 -2.60 0.03 0.00 -0.30 0.00 0.00 42.92 40.00 3iwp s ASP 230 CO -0.02 -1.30 1.22 -0.55 -0.17 0.00 0.00 175.17 174.35 3iwp s SER 231 N -1.46 4.33 0.00 -0.34 0.15 0.31 -4.77 113.70 111.93 3iwp s SER 231 Ca 0.71 2.40 0.20 0.00 0.70 0.00 0.00 55.95 59.96 3iwp s SER 231 Cb -0.30 -2.59 0.92 0.00 -1.71 0.00 0.00 66.02 62.33 3iwp s SER 231 CO 0.34 -2.17 1.63 0.61 1.20 0.00 0.00 173.24 174.85 3iwp n GLY 232 N 0.47 -1.08 3.74 9.45 0.00 -1.26 -4.92 105.19 111.59 3iwp n GLY 232 Ca 0.14 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.81 4.15 -0.11 1.61 -1.94 -1.26 -4.90 119.30 114.04 3iwp s MET 233 Ca 0.14 2.52 0.04 0.00 -1.71 0.00 0.00 55.69 56.68 3iwp s MET 233 Cb 0.13 -3.07 -0.24 0.00 2.01 0.00 0.00 34.83 33.66 3iwp s MET 233 CO 0.34 -0.64 0.40 1.63 -0.01 0.00 0.00 175.02 176.74 3iwp n LYS 234 N 3.03 0.69 -3.33 2.03 5.02 -1.26 -4.81 118.16 119.53 3iwp n LYS 234 Ca 0.11 0.24 -0.40 0.00 -2.02 0.00 0.00 58.31 56.24 3iwp n LYS 234 Cb 0.37 -1.71 -0.09 0.00 -0.02 0.00 0.00 35.03 33.59 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 -2.56 3.22 -0.00 2.13 5.36 -1.26 -5.07 117.98 119.79 3iwp s PHE 235 Ca -0.15 0.28 0.07 0.00 -0.96 0.00 0.00 56.93 56.17 3iwp s PHE 235 Cb 0.07 -2.71 -0.02 0.00 -0.34 0.00 0.00 43.02 40.02 3iwp s PHE 235 CO 0.78 -0.36 -0.23 1.03 -1.46 0.00 0.00 175.22 174.98 3iwp s ARG 236 N 2.17 2.11 -0.45 10.12 0.52 -1.26 -5.09 118.95 127.08 3iwp s ARG 236 Ca 0.16 -0.93 0.04 0.00 -0.52 0.00 0.00 55.73 54.47 3iwp s ARG 236 Cb -0.16 -2.10 0.12 0.00 0.52 0.00 0.00 34.95 33.33 3iwp s ARG 236 CO 0.11 0.56 0.18 1.21 0.02 0.00 0.00 175.30 177.38 3iwp s ASN 237 N -0.87 4.38 0.63 0.23 3.84 -1.26 -4.96 114.94 116.93 3iwp s ASN 237 Ca 0.11 -2.65 0.39 0.00 0.21 0.00 0.00 52.86 50.92 3iwp s ASN 237 Cb -0.10 -1.55 2.15 0.00 -0.55 0.00 0.00 41.25 41.20 3iwp s ASN 237 CO 0.01 -0.29 2.30 0.77 -2.79 0.00 0.00 177.10 177.10 3iwp h SER 238 N 6.93 0.00 0.11 -4.21 4.64 -2.05 -2.76 113.55 116.21 3iwp h SER 238 Ca -0.06 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.23 3iwp h SER 238 Cb 0.94 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.03 3iwp h SER 238 CO 0.61 0.01 -0.11 0.28 -0.87 0.00 0.00 176.83 176.75 3iwp h SER 239 N 0.00 0.00 -3.44 4.97 0.02 -2.06 -3.43 113.55 109.60 3iwp h SER 239 Ca -0.00 0.00 -0.60 0.00 -0.84 0.00 0.00 61.79 60.35 3iwp h SER 239 Cb 0.05 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 62.49 3iwp h SER 239 CO 0.00 0.11 0.03 -0.69 -1.14 0.00 0.00 176.83 175.13 3iwp s VAL 240 N -4.80 5.07 -0.25 2.27 1.01 -1.04 -5.04 120.40 117.62 3iwp s VAL 240 Ca -0.04 1.06 0.01 0.00 0.00 0.00 0.00 61.98 63.01 3iwp s VAL 240 Cb 0.16 -3.89 0.05 0.00 0.00 0.00 0.00 36.38 32.70 3iwp s VAL 240 CO 0.68 0.16 -0.10 0.00 0.00 0.00 0.00 175.10 175.84 3iwp s ALA 241 N 1.70 2.59 -0.18 5.51 0.00 -1.26 -4.88 121.76 125.24 3iwp s ALA 241 Ca 0.26 -1.62 -0.09 0.00 0.00 0.00 0.00 51.96 50.52 3iwp s ALA 241 Cb -0.16 -1.59 -0.21 0.00 0.00 0.00 0.00 23.12 21.16 3iwp s ALA 241 CO 0.10 -0.99 0.14 -1.33 0.00 0.00 0.00 175.76 173.68 3iwp n MET 242 N 4.54 0.68 0.00 0.00 2.81 -1.26 -4.85 117.12 119.04 3iwp n MET 242 Ca -0.16 0.30 0.00 0.00 -1.81 0.00 0.00 57.70 56.04 3iwp n MET 242 Cb 0.45 -1.66 0.00 0.00 -0.71 0.00 0.00 33.22 31.30 3iwp n MET 242 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3iwp n GLY 243 N 1.86 -1.14 3.15 3.03 0.00 -1.26 -4.99 105.19 105.84 3iwp n GLY 243 Ca -0.37 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.70 3iwp n GLY 243 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iwp s ALA 244 N -2.48 -3.34 -1.51 4.61 0.00 -1.26 -5.26 121.76 112.53 3iwp s ALA 244 Ca 0.00 1.42 0.00 0.00 0.00 0.00 0.00 51.96 53.38 3iwp s ALA 244 Cb 0.00 -2.56 0.00 0.00 0.00 0.00 0.00 23.12 20.56 3iwp s ALA 244 CO 0.00 -1.67 0.00 -1.13 0.00 0.00 0.00 175.76 172.96 3iwp n SER 245 N 5.36 -4.10 -0.05 0.00 3.41 -1.26 -5.23 113.62 111.75 3iwp n SER 245 Ca 0.00 0.31 -0.07 0.00 -0.26 0.00 0.00 58.87 58.85 3iwp n SER 245 Cb 0.55 -3.68 -0.05 0.00 -0.26 0.00 0.00 64.21 60.77 3iwp n SER 245 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3iwp s SER 249 N -4.92 -0.59 -0.02 0.00 1.04 -1.26 -5.02 113.70 102.93 3iwp s SER 249 Ca -0.13 1.04 0.08 0.00 0.48 0.00 0.00 55.95 57.42 3iwp s SER 249 Cb 0.03 1.04 0.28 0.00 0.10 0.00 0.00 66.02 67.47 3iwp s SER 249 CO 0.23 -0.28 1.16 -0.62 0.98 0.00 0.00 173.24 174.71 3iwp n GLU 250 N 2.39 1.90 -1.19 4.02 -0.58 -1.26 -4.10 120.64 121.82 3iwp n GLU 250 Ca -0.15 -1.11 0.04 0.00 -0.42 0.00 0.00 57.16 55.52 3iwp n GLU 250 Cb 0.56 -1.37 0.06 0.00 -0.57 0.00 0.00 31.44 30.12 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 0.34 0.00 -4.28 -0.32 4.02 -1.26 -5.03 117.16 110.63 3iwp n TYR 251 Ca 0.10 -0.66 -0.20 0.00 -0.01 0.00 0.00 57.90 57.13 3iwp n TYR 251 Cb 0.34 -0.16 -0.11 0.00 -0.02 0.00 0.00 39.34 39.39 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 -2.17 2.32 -0.02 7.72 1.04 -1.26 -0.53 113.70 120.80 3iwp s SER 252 Ca 0.32 -0.81 0.05 0.00 0.48 0.00 0.00 55.95 55.98 3iwp s SER 252 Cb 0.35 -0.11 -0.01 0.00 0.10 0.00 0.00 66.02 66.35 3iwp s SER 252 CO -0.13 -0.08 -0.16 -0.76 0.98 0.00 0.00 173.24 173.09 3iwp s LEU 253 N -2.47 2.01 -0.31 2.42 1.43 0.18 -4.84 118.68 117.11 3iwp s LEU 253 Ca 0.11 -0.30 -0.12 0.00 -1.03 0.00 0.00 54.13 52.79 3iwp s LEU 253 Cb -0.06 -0.84 -0.03 0.00 0.03 0.00 0.00 46.19 45.28 3iwp s LEU 253 CO 0.05 0.19 0.21 -0.54 0.23 0.00 0.00 176.35 176.49 3iwp s LYS 254 N -0.31 3.71 -0.05 1.70 1.02 -1.26 0.46 119.74 125.01 3iwp s LYS 254 Ca 0.05 -0.49 0.03 0.00 0.02 0.00 0.00 55.97 55.57 3iwp s LYS 254 Cb -0.07 -3.73 0.01 0.00 -0.52 0.00 0.00 37.83 33.52 3iwp s LYS 254 CO -0.00 -0.32 -0.13 0.08 -0.92 0.00 0.00 175.35 174.06 3iwp s VAL 255 N 1.74 1.12 0.11 3.17 1.01 -0.58 -4.94 120.40 122.02 3iwp s VAL 255 Ca 0.06 -0.51 -0.34 0.00 0.00 0.00 0.00 61.98 61.20 3iwp s VAL 255 Cb -0.17 -0.99 -0.13 0.00 0.00 0.00 0.00 36.38 35.09 3iwp s VAL 255 CO 0.11 0.34 1.67 0.41 0.00 0.00 0.00 175.10 177.62 3iwp n THR 256 N 3.47 0.15 -3.55 3.92 -1.04 -1.26 -1.42 114.28 114.54 3iwp n THR 256 Ca -0.20 -0.03 -0.39 0.00 -2.04 0.00 0.00 64.05 61.39 3iwp n THR 256 Cb 0.53 -1.67 -0.11 0.00 -1.82 0.00 0.00 70.33 67.26 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 1.72 6.05 0.14 8.00 2.15 0.08 -4.78 116.67 130.03 3iwp s ASP 257 Ca 0.82 -0.17 -0.21 0.00 0.43 0.00 0.00 52.55 53.42 3iwp s ASP 257 Cb -0.66 -2.13 -0.01 0.00 -0.30 0.00 0.00 42.92 39.82 3iwp s ASP 257 CO 0.40 -0.14 1.68 0.58 -0.17 0.00 0.00 175.17 177.52 3iwp h VAL 258 N 5.43 0.64 -0.86 1.11 2.07 -1.88 -1.08 116.25 121.69 3iwp h VAL 258 Ca -0.33 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.24 3iwp h VAL 258 Cb 1.17 0.64 -0.06 0.00 -1.52 0.00 0.00 31.29 31.53 3iwp h VAL 258 CO 0.59 0.00 0.54 0.00 0.02 0.00 0.00 177.57 178.72 3iwp h THR 259 N -0.12 1.09 -0.81 2.57 1.03 -1.94 0.20 112.91 114.94 3iwp h THR 259 Ca 0.11 -0.35 -0.02 0.00 -0.01 0.00 0.00 66.41 66.14 3iwp h THR 259 Cb 0.28 -0.02 -0.04 0.00 -1.07 0.00 0.00 68.15 67.30 3iwp h THR 259 CO -0.26 0.19 0.43 0.11 -0.01 0.00 0.00 175.52 175.98 3iwp h LYS 260 N 1.02 1.12 -0.29 0.00 1.57 -1.78 -1.94 116.57 116.28 3iwp h LYS 260 Ca 0.36 -0.13 -0.07 0.00 -1.87 0.00 0.00 60.65 58.93 3iwp h LYS 260 Cb 0.08 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 3iwp h LYS 260 CO -0.14 0.83 -0.10 0.28 -0.57 0.00 0.00 179.45 179.74 3iwp h VAL 261 N 1.13 1.29 -0.43 0.50 2.07 -0.04 -2.24 116.25 118.53 3iwp h VAL 261 Ca 0.28 -1.17 0.09 0.00 0.82 0.00 0.00 66.70 66.72 3iwp h VAL 261 Cb 0.04 1.44 -0.09 0.00 -1.52 0.00 0.00 31.29 31.16 3iwp h VAL 261 CO -0.04 0.37 -0.23 0.03 0.02 0.00 0.00 177.57 177.72 3iwp h ARG 262 N 0.34 -0.14 -0.18 1.57 3.08 -0.30 -2.11 114.38 116.64 3iwp h ARG 262 Ca 0.07 0.01 -0.14 0.00 0.07 0.00 0.00 59.98 59.99 3iwp h ARG 262 Cb 0.60 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 -0.47 1.79 -1.07 0.00 0.00 179.97 180.16 3iwp h THR 263 N -0.14 1.32 -0.92 2.04 1.35 -1.21 -0.51 112.91 114.83 3iwp h THR 263 Ca 0.20 -1.68 0.08 0.00 -0.55 0.00 0.00 66.41 64.47 3iwp h THR 263 Cb 0.46 1.70 -0.07 0.00 -1.73 0.00 0.00 68.15 68.51 3iwp h THR 263 CO -0.52 0.52 0.57 -0.07 -0.25 0.00 0.00 175.52 175.77 3iwp h LEU 264 N 0.38 0.88 -0.59 3.87 3.38 -1.24 -0.68 115.31 121.30 3iwp h LEU 264 Ca 0.02 0.03 -0.15 0.00 0.09 0.00 0.00 57.88 57.87 3iwp h LEU 264 Cb 0.97 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 3iwp h LEU 264 CO 0.09 0.52 -0.60 -1.13 0.09 0.00 0.00 178.44 177.41 3iwp h ASN 265 N 0.99 0.39 0.35 -0.43 -1.24 -0.53 -1.84 115.58 113.27 3iwp h ASN 265 Ca 0.43 -0.22 -0.13 0.00 0.71 0.00 0.00 56.30 57.08 3iwp h ASN 265 Cb 0.29 -0.11 -0.01 0.00 0.73 0.00 0.00 38.32 39.21 3iwp h ASN 265 CO -0.21 0.90 -0.53 0.00 -1.29 0.00 0.00 177.43 176.29 3iwp h ALA 266 N 1.11 0.97 0.02 1.57 0.00 -0.82 0.14 119.26 122.24 3iwp h ALA 266 Ca -0.00 -0.49 -0.00 0.00 0.00 0.00 0.00 54.91 54.41 3iwp h ALA 266 Cb 1.12 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3iwp h ALA 266 CO 0.10 0.68 -0.01 0.82 0.00 0.00 0.00 179.25 180.84 3iwp h ILE 267 N 0.16 1.23 -0.47 0.00 2.04 -0.98 -2.25 117.51 117.23 3iwp h ILE 267 Ca 0.00 -0.78 0.09 0.00 1.00 0.00 0.00 64.86 65.17 3iwp h ILE 267 Cb 0.99 1.76 -0.08 0.00 -0.74 0.00 0.00 36.82 38.75 3iwp h ILE 267 CO 0.08 0.20 -0.02 0.00 0.00 0.00 0.00 178.15 178.41 3iwp h ALA 268 N 0.60 0.42 0.00 1.87 0.00 -1.14 -2.12 119.26 118.89 3iwp h ALA 268 Ca -0.00 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3iwp h ALA 268 Cb 0.35 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3iwp h ALA 268 CO 0.00 -0.40 0.00 0.36 0.00 0.00 0.00 179.25 179.22 3iwp n LYS 269 N -5.24 0.07 0.00 0.00 2.85 0.02 -3.10 118.16 112.76 3iwp n LYS 269 Ca 0.04 0.16 0.11 0.00 -1.05 0.00 0.00 58.31 57.58 3iwp n LYS 269 Cb 0.25 -1.50 0.14 0.00 -0.65 0.00 0.00 35.03 33.28 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 -1.44 0.69 0.03 -5.58 4.13 -0.80 -4.12 115.26 108.15 3iwp n ASN 270 Ca 0.06 -0.51 0.08 0.00 1.68 0.00 0.00 54.58 55.89 3iwp n ASN 270 Cb 0.20 0.46 -0.10 0.00 -1.54 0.00 0.00 39.78 38.80 3iwp n ASN 270 CO 0.00 0.00 0.00 2.30 0.28 0.00 0.00 177.26 179.84 3iwp n ILE 271 N -1.45 0.50 0.00 2.41 -5.35 -1.18 -5.10 119.36 109.19 3iwp n ILE 271 Ca 0.05 -0.58 0.00 0.00 -0.27 0.00 0.00 62.75 61.96 3iwp n ILE 271 Cb 0.34 -0.26 0.00 0.00 -1.74 0.00 0.00 39.64 37.98 3iwp n ILE 271 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97