#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 0.32 3.26 8.20 0.00 -1.26 -4.91 105.19 110.81 3iwp n GLY 25 Ca 0.00 -0.62 -0.10 0.00 0.00 0.00 0.00 46.02 45.30 3iwp n GLY 25 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3iwp n PHE 26 N 0.00 -0.71 -3.37 1.61 0.99 -1.03 -4.98 117.46 109.98 3iwp n PHE 26 Ca 0.00 0.30 -0.38 0.00 -0.00 0.00 0.00 57.45 57.37 3iwp n PHE 26 Cb 0.00 -1.19 -0.07 0.00 -1.00 0.00 0.00 39.48 37.22 3iwp n PHE 26 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.76 175.59 3iwp s LEU 27 N -1.37 4.21 -0.22 4.37 0.20 0.34 -4.99 118.68 121.22 3iwp s LEU 27 Ca 0.10 0.64 -0.06 0.00 0.69 0.00 0.00 54.13 55.50 3iwp s LEU 27 Cb -0.01 -2.58 -0.03 0.00 -0.43 0.00 0.00 46.19 43.14 3iwp s LEU 27 CO 0.23 -0.04 0.03 -0.32 -0.29 0.00 0.00 176.35 175.97 3iwp s MET 28 N 0.99 3.65 -0.12 1.98 -2.45 -1.26 -1.76 119.30 120.33 3iwp s MET 28 Ca 0.22 -0.49 -0.01 0.00 -1.25 0.00 0.00 55.69 54.15 3iwp s MET 28 Cb -0.15 -3.19 -0.02 0.00 1.25 0.00 0.00 34.83 32.72 3iwp s MET 28 CO 0.08 -0.06 -0.08 -1.83 1.05 0.00 0.00 175.02 174.19 3iwp s GLU 29 N 1.21 3.28 -0.09 4.11 -1.05 -0.65 -0.90 118.70 124.61 3iwp s GLU 29 Ca 0.04 -0.58 0.03 0.00 -0.15 0.00 0.00 54.97 54.30 3iwp s GLU 29 Cb -0.14 -2.72 -0.01 0.00 -0.44 0.00 0.00 34.13 30.82 3iwp s GLU 29 CO 0.02 0.37 -0.18 0.08 0.95 0.00 0.00 175.26 176.50 3iwp s VAL 30 N -0.02 2.65 0.03 1.83 1.01 -1.12 -1.67 120.40 123.09 3iwp s VAL 30 Ca -0.01 -0.83 -0.12 0.00 0.00 0.00 0.00 61.98 61.02 3iwp s VAL 30 Cb -0.14 -2.05 -0.06 0.00 0.00 0.00 0.00 36.38 34.14 3iwp s VAL 30 CO 0.03 0.55 0.38 0.00 0.00 0.00 0.00 175.10 176.06 3iwp s VAL 32 N -1.23 0.38 -0.14 0.00 1.01 0.15 -4.91 120.40 115.68 3iwp s VAL 32 Ca 0.27 -1.20 0.07 0.00 0.00 0.00 0.00 61.98 61.12 3iwp s VAL 32 Cb -0.15 -0.72 -0.23 0.00 0.00 0.00 0.00 36.38 35.28 3iwp s VAL 32 CO 0.15 -0.54 0.29 0.47 0.00 0.00 0.00 175.10 175.47 3iwp n ASP 33 N 1.19 1.16 -2.62 3.32 8.00 -1.26 -0.01 116.55 126.33 3iwp n ASP 33 Ca -0.21 0.17 -0.12 0.00 0.71 0.00 0.00 54.79 55.33 3iwp n ASP 33 Cb 0.56 -0.07 -0.03 0.00 -0.02 0.00 0.00 41.12 41.56 3iwp n ASP 33 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3iwp n SER 34 N -3.12 -0.96 0.01 -2.24 3.41 -1.26 -4.90 113.62 104.57 3iwp n SER 34 Ca -0.29 -2.55 -0.18 0.00 -0.26 0.00 0.00 58.87 55.59 3iwp n SER 34 Cb 1.07 1.85 -0.13 0.00 -0.26 0.00 0.00 64.21 66.74 3iwp n SER 34 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 3iwp h VAL 35 N 1.81 1.54 -0.44 -3.33 2.07 -1.97 -2.08 116.25 113.84 3iwp h VAL 35 Ca -0.21 -2.32 0.08 0.00 0.82 0.00 0.00 66.70 65.07 3iwp h VAL 35 Cb 0.94 3.03 -0.07 0.00 -1.52 0.00 0.00 31.29 33.67 3iwp h VAL 35 CO 0.29 0.65 0.02 -0.08 0.02 0.00 0.00 177.57 178.46 3iwp h GLU 36 N -0.41 0.12 -0.70 1.57 4.81 -1.98 0.47 114.58 118.47 3iwp h GLU 36 Ca -0.09 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.09 3iwp h GLU 36 Cb 1.39 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.71 3iwp h GLU 36 CO 0.11 0.08 0.27 0.77 -0.73 0.00 0.00 179.01 179.51 3iwp h SER 37 N 0.13 0.95 -0.48 1.04 0.02 -1.85 0.38 113.55 113.74 3iwp h SER 37 Ca 0.22 -0.14 -0.07 0.00 -0.84 0.00 0.00 61.79 60.96 3iwp h SER 37 Cb 0.31 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.59 3iwp h SER 37 CO -0.35 0.85 0.04 0.00 -1.14 0.00 0.00 176.83 176.23 3iwp h ALA 38 N 1.28 1.07 0.01 3.77 0.00 -0.32 -0.03 119.26 125.04 3iwp h ALA 38 Ca 0.23 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 3iwp h ALA 38 Cb 0.21 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3iwp h ALA 38 CO -0.02 0.59 -0.00 0.28 0.00 0.00 0.00 179.25 180.10 3iwp h VAL 39 N 0.82 1.48 -0.65 0.00 2.07 0.32 -2.37 116.25 117.93 3iwp h VAL 39 Ca 0.16 -1.49 0.14 0.00 0.82 0.00 0.00 66.70 66.33 3iwp h VAL 39 Cb 0.43 2.48 -0.12 0.00 -1.52 0.00 0.00 31.29 32.57 3iwp h VAL 39 CO 0.02 0.38 -0.06 0.78 0.02 0.00 0.00 177.57 178.71 3iwp h ASN 40 N -0.65 -0.41 -0.61 0.57 4.21 -0.22 -0.72 115.58 117.75 3iwp h ASN 40 Ca -0.00 0.18 0.01 0.00 1.21 0.00 0.00 56.30 57.70 3iwp h ASN 40 Cb 0.64 0.33 -0.03 0.00 -1.12 0.00 0.00 38.32 38.13 3iwp h ASN 40 CO 0.00 -0.16 0.39 0.00 -1.29 0.00 0.00 177.43 176.37 3iwp h ALA 41 N 1.62 0.78 0.26 -0.83 0.00 -0.91 -0.50 119.26 119.67 3iwp h ALA 41 Ca 0.33 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 3iwp h ALA 41 Cb 0.54 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3iwp h ALA 41 CO -0.60 0.17 -0.17 1.49 0.00 0.00 0.00 179.25 180.14 3iwp h GLU 42 N 0.79 -0.40 -0.05 0.00 4.81 -0.85 -0.13 114.58 118.75 3iwp h GLU 42 Ca 0.23 0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.50 3iwp h GLU 42 Cb -0.05 0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.42 3iwp h GLU 42 CO -0.07 -0.27 0.05 -0.09 -0.73 0.00 0.00 179.01 177.91 3iwp h ARG 43 N -0.41 0.00 0.00 1.92 2.43 -0.84 -1.59 114.38 115.88 3iwp h ARG 43 Ca -0.02 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3iwp h ARG 43 Cb 0.35 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 3iwp h ARG 43 CO 0.02 0.00 -0.26 0.41 -1.51 0.00 0.00 179.97 178.62 3iwp n GLY 44 N -1.41 -1.41 0.00 2.80 0.00 -0.22 -4.91 105.19 100.04 3iwp n GLY 44 Ca -0.02 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 1.47 1.31 3.77 -0.02 0.00 -0.60 -3.04 105.19 108.08 3iwp n GLY 45 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 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 3.48 -0.36 4.61 0.00 -0.09 -4.87 121.76 122.53 3iwp s ALA 46 Ca 0.00 1.38 0.23 0.00 0.00 0.00 0.00 51.96 53.57 3iwp s ALA 46 Cb 0.00 -3.53 0.08 0.00 0.00 0.00 0.00 23.12 19.67 3iwp s ALA 46 CO 0.00 -0.84 1.10 -0.25 0.00 0.00 0.00 175.76 175.77 3iwp n ASP 47 N 0.54 0.80 -3.55 0.00 8.00 -0.07 -4.62 116.55 117.64 3iwp n ASP 47 Ca 0.01 0.24 -0.15 0.00 0.71 0.00 0.00 54.79 55.60 3iwp n ASP 47 Cb 0.41 0.41 -0.06 0.00 -0.02 0.00 0.00 41.12 41.86 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 -3.31 0.88 0.03 -1.24 3.52 -1.14 -4.21 118.95 113.49 3iwp s ARG 48 Ca 0.01 0.26 0.05 0.00 -0.13 0.00 0.00 55.73 55.92 3iwp s ARG 48 Cb 0.11 0.42 -0.02 0.00 -1.56 0.00 0.00 34.95 33.89 3iwp s ARG 48 CO 0.78 -0.27 -0.15 0.96 -0.81 0.00 0.00 175.30 175.81 3iwp s ILE 49 N -1.07 1.21 -0.19 4.11 -4.36 -0.68 -2.81 121.20 117.41 3iwp s ILE 49 Ca -0.07 -0.94 -0.07 0.00 -0.26 0.00 0.00 60.65 59.31 3iwp s ILE 49 Cb -0.00 -1.07 -0.04 0.00 1.25 0.00 0.00 42.46 42.60 3iwp s ILE 49 CO 0.06 0.11 0.06 -0.70 0.24 0.00 0.00 174.94 174.72 3iwp s GLU 50 N -0.95 3.92 -0.14 0.37 2.12 -0.34 0.59 118.70 124.26 3iwp s GLU 50 Ca 0.04 -0.37 -0.20 0.00 0.36 0.00 0.00 54.97 54.79 3iwp s GLU 50 Cb -0.07 -3.22 -0.03 0.00 0.26 0.00 0.00 34.13 31.07 3iwp s GLU 50 CO 0.01 0.21 0.57 -1.17 -0.54 0.00 0.00 175.26 174.33 3iwp s LEU 51 N 0.54 4.23 0.04 2.70 0.20 0.31 -0.67 118.68 126.02 3iwp s LEU 51 Ca 0.03 0.87 0.07 0.00 0.69 0.00 0.00 54.13 55.78 3iwp s LEU 51 Cb -0.13 -2.82 -0.02 0.00 -0.43 0.00 0.00 46.19 42.78 3iwp s LEU 51 CO 0.01 -0.13 -0.19 0.00 -0.29 0.00 0.00 176.35 175.75 3iwp s SER 53 N -1.08 5.64 -1.26 0.00 0.15 0.21 -4.10 113.70 113.25 3iwp s SER 53 Ca 0.06 -0.20 -0.13 0.00 0.70 0.00 0.00 55.95 56.38 3iwp s SER 53 Cb -0.08 -0.91 -0.00 0.00 -1.71 0.00 0.00 66.02 63.32 3iwp s SER 53 CO 0.01 -0.79 0.62 0.61 1.20 0.00 0.00 173.24 174.90 3iwp n GLY 54 N -1.96 -0.65 0.24 9.45 0.00 -1.26 0.18 105.19 111.19 3iwp n GLY 54 Ca 0.06 0.31 0.01 0.00 0.00 0.00 0.00 46.02 46.40 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 -1.94 0.27 0.00 0.99 3.38 -1.93 -0.83 115.31 115.26 3iwp h LEU 55 Ca -0.66 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.25 3iwp h LEU 55 Cb 1.37 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.05 3iwp h LEU 55 CO 0.55 0.45 0.00 -1.54 0.09 0.00 0.00 178.44 177.99 3iwp n SER 56 N -4.24 0.00 -0.38 -0.43 3.41 -1.26 -1.29 113.62 109.43 3iwp n SER 56 Ca -0.00 0.34 0.06 0.00 -0.26 0.00 0.00 58.87 59.00 3iwp n SER 56 Cb 0.30 -0.40 0.13 0.00 -0.26 0.00 0.00 64.21 63.98 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 -1.40 2.54 -0.71 4.33 1.02 -0.45 -4.97 120.64 120.98 3iwp n GLU 57 Ca 0.03 -2.21 0.00 0.00 -0.02 0.00 0.00 57.16 54.97 3iwp n GLU 57 Cb 0.10 -1.38 0.00 0.00 -0.02 0.00 0.00 31.44 30.13 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 -0.48 0.60 0.00 0.62 0.00 -0.41 -4.74 105.19 100.77 3iwp n GLY 58 Ca 0.12 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.71 1.56 3.47 -0.02 0.00 -0.44 -4.97 105.19 102.07 3iwp n GLY 59 Ca 0.00 -1.10 -0.23 0.00 0.00 0.00 0.00 46.02 44.69 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 2.10 0.09 2.61 2.01 0.47 -4.82 115.64 118.10 3iwp s THR 60 Ca 0.00 -2.25 -0.31 0.00 0.31 0.00 0.00 61.69 59.44 3iwp s THR 60 Cb 0.00 -2.42 -0.08 0.00 0.01 0.00 0.00 72.50 70.01 3iwp s THR 60 CO 0.00 -0.34 1.48 0.28 -0.69 0.00 0.00 174.62 175.35 3iwp s THR 61 N -2.72 3.20 0.66 -0.82 -1.32 -0.78 0.63 115.64 114.49 3iwp s THR 61 Ca 0.30 0.79 -0.10 0.00 -1.21 0.00 0.00 61.69 61.46 3iwp s THR 61 Cb 0.00 -3.50 0.00 0.00 -1.51 0.00 0.00 72.50 67.49 3iwp s THR 61 CO 0.14 0.04 1.04 -2.16 -2.21 0.00 0.00 174.62 171.46 3iwp s PRO 62 N 1.64 3.05 0.82 7.08 0.04 -1.26 -4.44 135.00 141.92 3iwp s PRO 62 Ca 0.67 0.43 -0.11 0.00 0.04 0.00 0.00 61.00 62.03 3iwp s PRO 62 Cb -0.38 -2.09 0.09 0.00 0.04 0.00 0.00 34.50 32.16 3iwp s PRO 62 CO 0.30 -0.85 1.13 -1.54 0.04 0.00 0.00 177.00 176.08 3iwp s SER 63 N -4.30 3.87 0.34 6.66 1.04 -1.26 -4.90 113.70 115.15 3iwp s SER 63 Ca 0.56 2.05 0.25 0.00 0.48 0.00 0.00 55.95 59.29 3iwp s SER 63 Cb -0.11 -2.55 0.61 0.00 0.10 0.00 0.00 66.02 64.07 3iwp s SER 63 CO 0.51 -2.47 1.70 -0.03 0.98 0.00 0.00 173.24 173.93 3iwp h MET 64 N -1.25 0.00 0.00 4.02 4.05 -1.99 -3.14 114.93 116.62 3iwp h MET 64 Ca -0.44 0.00 -0.10 0.00 -0.28 0.00 0.00 59.70 58.88 3iwp h MET 64 Cb 1.25 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 32.04 3iwp h MET 64 CO 0.47 0.00 -0.47 0.78 0.23 0.00 0.00 176.91 177.93 3iwp h GLY 65 N 4.05 0.00 0.88 1.39 0.00 -2.00 -2.57 103.07 104.82 3iwp h GLY 65 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.24 3iwp h GLY 65 CO 0.00 0.00 -0.20 -2.08 0.00 0.00 0.00 176.54 174.26 3iwp h VAL 66 N 0.00 1.31 -0.28 4.60 2.07 -1.92 -2.93 116.25 119.11 3iwp h VAL 66 Ca -0.00 -1.34 0.05 0.00 0.82 0.00 0.00 66.70 66.22 3iwp h VAL 66 Cb 0.98 1.64 -0.05 0.00 -1.52 0.00 0.00 31.29 32.35 3iwp h VAL 66 CO 0.06 0.42 -0.02 0.25 0.02 0.00 0.00 177.57 178.29 3iwp h LEU 67 N 0.28 -0.16 0.05 2.57 6.46 -1.60 0.21 115.31 123.12 3iwp h LEU 67 Ca 0.04 0.07 0.02 0.00 -0.12 0.00 0.00 57.88 57.90 3iwp h LEU 67 Cb 0.74 0.13 -0.03 0.00 -0.73 0.00 0.00 40.66 40.77 3iwp h LEU 67 CO 0.05 -0.05 -0.21 1.56 -0.62 0.00 0.00 178.44 179.17 3iwp h GLN 68 N 0.05 -0.35 -0.45 1.25 4.20 -1.48 0.47 115.11 118.80 3iwp h GLN 68 Ca 0.13 0.02 -0.11 0.00 0.06 0.00 0.00 58.65 58.75 3iwp h GLN 68 Cb 0.19 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.03 3iwp h GLN 68 CO -0.25 -0.23 -0.16 0.28 -0.67 0.00 0.00 178.83 177.80 3iwp h VAL 69 N -0.36 1.27 -0.83 -0.54 2.07 -1.31 -2.10 116.25 114.45 3iwp h VAL 69 Ca 0.05 -1.30 0.04 0.00 0.82 0.00 0.00 66.70 66.30 3iwp h VAL 69 Cb 0.42 1.16 -0.05 0.00 -1.52 0.00 0.00 31.29 31.29 3iwp h VAL 69 CO -0.16 0.44 0.53 0.58 0.02 0.00 0.00 177.57 178.98 3iwp h VAL 70 N 0.75 1.12 0.00 2.57 2.07 -0.23 -0.43 116.25 122.10 3iwp h VAL 70 Ca 0.11 -0.35 -0.02 0.00 0.82 0.00 0.00 66.70 67.26 3iwp h VAL 70 Cb 0.72 0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 30.50 3iwp h VAL 70 CO 0.05 0.19 -0.07 0.50 0.02 0.00 0.00 177.57 178.26 3iwp h LYS 71 N 1.02 0.00 -0.03 1.57 1.63 0.31 -1.03 116.57 120.03 3iwp h LYS 71 Ca 0.33 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.13 3iwp h LYS 71 Cb 0.03 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.66 3iwp h LYS 71 CO -0.12 0.07 0.00 1.04 -3.45 0.00 0.00 179.45 176.99 3iwp n GLN 72 N -3.33 1.93 0.00 1.90 6.02 -0.25 -4.27 117.38 119.39 3iwp n GLN 72 Ca -0.01 -1.35 0.03 0.00 -0.01 0.00 0.00 57.00 55.65 3iwp n GLN 72 Cb 0.26 -1.47 -0.01 0.00 1.02 0.00 0.00 30.24 30.04 3iwp n GLN 72 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 3iwp n SER 73 N 0.64 0.74 -3.88 1.08 7.64 -0.43 -5.06 113.62 114.36 3iwp n SER 73 Ca 0.17 -0.87 -0.11 0.00 1.01 0.00 0.00 58.87 59.07 3iwp n SER 73 Cb 0.45 0.59 -0.12 0.00 -1.01 0.00 0.00 64.21 64.13 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 -1.08 0.05 -0.61 0.44 0.11 -0.96 -4.89 120.40 113.47 3iwp s VAL 74 Ca 0.04 -0.42 0.21 0.00 -2.93 0.00 0.00 61.98 58.89 3iwp s VAL 74 Cb 0.04 -0.26 -0.27 0.00 -1.53 0.00 0.00 36.38 34.36 3iwp s VAL 74 CO 0.15 -0.23 0.74 0.00 -3.33 0.00 0.00 175.10 172.44 3iwp n GLN 75 N 2.21 0.27 -2.31 1.54 6.02 -1.26 -4.83 117.38 119.02 3iwp n GLN 75 Ca -0.18 -0.08 -0.32 0.00 -0.01 0.00 0.00 57.00 56.41 3iwp n GLN 75 Cb 0.57 -1.51 -0.02 0.00 1.02 0.00 0.00 30.24 30.30 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 -3.21 4.60 0.53 5.09 -4.36 -1.26 -4.97 121.20 117.62 3iwp s ILE 76 Ca 0.02 1.07 -0.21 0.00 -0.26 0.00 0.00 60.65 61.27 3iwp s ILE 76 Cb 0.15 -3.76 -0.07 0.00 1.25 0.00 0.00 42.46 40.04 3iwp s ILE 76 CO 0.88 -0.79 1.08 -2.65 0.24 0.00 0.00 174.94 173.70 3iwp n PRO 77 N -1.85 1.26 -3.99 0.37 -0.02 -1.26 -4.82 135.00 124.69 3iwp n PRO 77 Ca 0.06 0.47 -0.31 0.00 -2.02 0.00 0.00 63.50 61.70 3iwp n PRO 77 Cb 0.54 -2.24 -0.15 0.00 -0.02 0.00 0.00 33.50 31.63 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 -1.38 1.81 0.33 -1.45 1.01 -1.26 -1.69 120.40 117.77 3iwp s VAL 78 Ca 0.71 -1.47 -0.02 0.00 0.00 0.00 0.00 61.98 61.20 3iwp s VAL 78 Cb -0.46 -2.05 -0.04 0.00 0.00 0.00 0.00 36.38 33.84 3iwp s VAL 78 CO 0.51 -0.13 0.56 -0.36 0.00 0.00 0.00 175.10 175.68 3iwp s PHE 79 N 1.25 3.50 -0.06 5.22 2.99 0.20 -0.76 117.98 130.32 3iwp s PHE 79 Ca -0.05 0.47 0.01 0.00 0.00 0.00 0.00 56.93 57.35 3iwp s PHE 79 Cb -0.19 -1.98 0.02 0.00 0.00 0.00 0.00 43.02 40.86 3iwp s PHE 79 CO -0.06 0.12 -0.06 0.08 -0.00 0.00 0.00 175.22 175.29 3iwp s VAL 80 N -2.26 0.73 0.12 -0.44 1.01 -1.11 0.11 120.40 118.57 3iwp s VAL 80 Ca 0.42 -0.21 -0.31 0.00 0.00 0.00 0.00 61.98 61.88 3iwp s VAL 80 Cb -0.10 -0.74 -0.07 0.00 0.00 0.00 0.00 36.38 35.47 3iwp s VAL 80 CO 0.35 0.28 1.30 -0.04 0.00 0.00 0.00 175.10 176.98 3iwp s MET 81 N 1.05 4.38 -0.43 2.72 -1.94 -0.94 -2.99 119.30 121.15 3iwp s MET 81 Ca -0.09 1.95 0.03 0.00 -1.71 0.00 0.00 55.69 55.88 3iwp s MET 81 Cb -0.14 -3.27 0.12 0.00 2.01 0.00 0.00 34.83 33.54 3iwp s MET 81 CO -0.00 -0.31 0.16 0.42 -0.01 0.00 0.00 175.02 175.28 3iwp s ILE 82 N 0.80 2.54 -0.21 2.53 1.09 -0.79 -4.04 121.20 123.13 3iwp s ILE 82 Ca 0.60 -2.76 -0.04 0.00 -1.10 0.00 0.00 60.65 57.35 3iwp s ILE 82 Cb -0.34 -2.81 0.11 0.00 -1.06 0.00 0.00 42.46 38.36 3iwp s ILE 82 CO 0.32 -0.70 0.37 -0.60 -0.10 0.00 0.00 174.94 174.23 3iwp s ARG 83 N 0.38 0.31 0.10 2.79 3.52 -1.26 -4.31 118.95 120.48 3iwp s ARG 83 Ca 0.14 0.70 0.25 0.00 -0.13 0.00 0.00 55.73 56.69 3iwp s ARG 83 Cb -0.22 -0.21 0.98 0.00 -1.56 0.00 0.00 34.95 33.93 3iwp s ARG 83 CO -0.04 -0.48 1.78 -0.35 -0.81 0.00 0.00 175.30 175.40 3iwp n PRO 84 N 5.37 0.10 -3.64 5.12 -0.04 -1.26 -1.86 135.00 138.78 3iwp n PRO 84 Ca -0.06 0.16 -0.03 0.00 -0.04 0.00 0.00 63.50 63.53 3iwp n PRO 84 Cb 0.50 -1.64 -0.01 0.00 -0.04 0.00 0.00 33.50 32.31 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 -3.07 0.75 0.70 0.54 1.70 -1.26 -4.93 118.95 113.37 3iwp s ARG 85 Ca 0.11 -0.38 -0.12 0.00 -0.47 0.00 0.00 55.73 54.87 3iwp s ARG 85 Cb 0.14 0.28 0.17 0.00 -0.57 0.00 0.00 34.95 34.97 3iwp s ARG 85 CO 0.49 -0.34 0.62 0.41 -1.08 0.00 0.00 175.30 175.40 3iwp n GLY 86 N -0.38 -2.67 4.87 3.88 0.00 -1.26 -4.91 105.19 104.71 3iwp n GLY 86 Ca -0.06 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.49 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 -1.69 -0.99 3.45 -0.02 0.00 -1.26 -4.96 105.19 99.72 3iwp n GLY 87 Ca 0.09 -1.43 -0.31 0.00 0.00 0.00 0.00 46.02 44.37 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 -0.28 -0.28 1.61 3.84 -1.26 -4.97 116.67 111.32 3iwp s ASP 88 Ca 0.00 0.60 0.09 0.00 -0.00 0.00 0.00 52.55 53.24 3iwp s ASP 88 Cb 0.00 -0.80 0.46 0.00 -1.38 0.00 0.00 42.92 41.20 3iwp s ASP 88 CO 0.00 -4.86 1.19 0.49 -0.00 0.00 0.00 175.17 171.99 3iwp n PHE 89 N -5.26 2.39 -3.50 2.11 3.01 -1.26 -4.87 117.46 110.08 3iwp n PHE 89 Ca 0.15 -2.14 -0.41 0.00 1.01 0.00 0.00 57.45 56.06 3iwp n PHE 89 Cb 0.60 -0.32 -0.04 0.00 -0.01 0.00 0.00 39.48 39.71 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 -3.56 5.95 0.01 4.37 0.20 -1.26 0.06 118.68 124.45 3iwp s LEU 90 Ca 0.48 -3.43 -0.24 0.00 0.69 0.00 0.00 54.13 51.64 3iwp s LEU 90 Cb 0.40 -2.04 -0.05 0.00 -0.43 0.00 0.00 46.19 44.07 3iwp s LEU 90 CO 0.02 -0.30 0.71 -0.31 -0.29 0.00 0.00 176.35 176.19 3iwp s TYR 91 N -0.95 3.69 0.99 5.38 2.02 -1.26 -5.07 117.35 122.15 3iwp s TYR 91 Ca 0.26 1.36 -0.16 0.00 -0.37 0.00 0.00 57.07 58.16 3iwp s TYR 91 Cb -0.10 -2.77 0.21 0.00 -0.40 0.00 0.00 41.96 38.90 3iwp s TYR 91 CO -0.09 0.25 1.29 -1.54 -1.57 0.00 0.00 175.55 173.89 3iwp s SER 92 N 0.10 2.84 0.11 2.29 1.04 -1.26 -4.81 113.70 114.00 3iwp s SER 92 Ca 0.37 0.34 -0.18 0.00 0.48 0.00 0.00 55.95 56.95 3iwp s SER 92 Cb -0.19 -0.42 -0.05 0.00 0.10 0.00 0.00 66.02 65.46 3iwp s SER 92 CO 0.21 -2.91 1.64 0.44 0.98 0.00 0.00 173.24 173.60 3iwp h ASP 93 N -1.76 0.40 0.02 7.02 3.45 -1.99 -0.74 116.42 122.82 3iwp h ASP 93 Ca -0.45 -0.18 -0.06 0.00 0.43 0.00 0.00 57.03 56.77 3iwp h ASP 93 Cb 1.25 -0.10 -0.01 0.00 -0.56 0.00 0.00 39.33 39.90 3iwp h ASP 93 CO 0.38 0.47 -0.17 0.03 -1.57 0.00 0.00 179.24 178.38 3iwp h ARG 94 N 0.31 0.30 -0.20 3.56 3.08 -1.98 0.27 114.38 119.71 3iwp h ARG 94 Ca 0.09 -0.08 -0.04 0.00 0.07 0.00 0.00 59.98 60.02 3iwp h ARG 94 Cb 0.20 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 3iwp h ARG 94 CO -0.01 0.47 -0.03 0.93 -1.07 0.00 0.00 179.97 180.26 3iwp h GLU 95 N 0.28 0.38 -0.35 0.04 5.08 -1.85 -2.16 114.58 116.00 3iwp h GLU 95 Ca 0.05 -0.14 -0.08 0.00 -1.00 0.00 0.00 59.36 58.19 3iwp h GLU 95 Cb 0.48 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 3iwp h GLU 95 CO 0.03 0.62 -0.13 0.97 -1.00 0.00 0.00 179.01 179.50 3iwp h ILE 96 N 0.12 1.24 0.00 3.13 2.10 -0.91 -0.67 117.51 122.52 3iwp h ILE 96 Ca 0.05 -1.10 -0.02 0.00 1.08 0.00 0.00 64.86 64.88 3iwp h ILE 96 Cb 0.47 1.12 -0.00 0.00 -1.09 0.00 0.00 36.82 37.31 3iwp h ILE 96 CO 0.02 0.36 -0.09 1.05 -1.08 0.00 0.00 178.15 178.41 3iwp h GLU 97 N 0.56 0.00 -0.06 2.19 4.11 -0.81 0.17 114.58 120.74 3iwp h GLU 97 Ca 0.10 0.00 -0.24 0.00 0.07 0.00 0.00 59.36 59.29 3iwp h GLU 97 Cb 0.54 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.80 3iwp h GLU 97 CO 0.03 0.09 -0.91 0.28 0.07 0.00 0.00 179.01 178.57 3iwp h VAL 98 N 0.00 1.30 -0.59 -1.06 2.07 -0.71 -2.77 116.25 114.50 3iwp h VAL 98 Ca -0.00 -2.17 -0.05 0.00 0.82 0.00 0.00 66.70 65.29 3iwp h VAL 98 Cb 0.34 2.22 -0.02 0.00 -1.52 0.00 0.00 31.29 32.31 3iwp h VAL 98 CO 0.01 0.67 0.16 0.24 0.02 0.00 0.00 177.57 178.68 3iwp h MET 99 N 0.41 0.93 -0.51 1.57 2.86 0.47 -0.34 114.93 120.32 3iwp h MET 99 Ca -0.09 -0.21 0.01 0.00 -2.06 0.00 0.00 59.70 57.35 3iwp h MET 99 Cb 1.55 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 33.05 3iwp h MET 99 CO 0.18 0.84 0.34 0.87 1.06 0.00 0.00 176.91 180.20 3iwp h LYS 100 N 0.84 0.67 -0.50 1.72 1.57 -0.82 -0.09 116.57 119.96 3iwp h LYS 100 Ca 0.19 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.85 3iwp h LYS 100 Cb 0.32 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 3iwp h LYS 100 CO -0.00 0.44 0.00 0.00 -0.57 0.00 0.00 179.45 179.32 3iwp h ALA 101 N 1.19 0.67 -0.30 3.86 0.00 -1.27 -1.51 119.26 121.91 3iwp h ALA 101 Ca 0.19 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 3iwp h ALA 101 Cb -0.08 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 3iwp h ALA 101 CO -0.04 0.48 -0.13 -0.44 0.00 0.00 0.00 179.25 179.12 3iwp h ASP 102 N 0.75 0.49 0.28 0.00 3.32 -0.85 0.14 116.42 120.55 3iwp h ASP 102 Ca 0.14 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 3iwp h ASP 102 Cb 0.51 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.94 3iwp h ASP 102 CO 0.03 0.66 -0.13 0.40 -1.72 0.00 0.00 179.24 178.47 3iwp h ILE 103 N 0.47 0.75 -0.52 0.35 2.04 -0.76 0.27 117.51 120.11 3iwp h ILE 103 Ca 0.09 -0.21 0.08 0.00 1.00 0.00 0.00 64.86 65.81 3iwp h ILE 103 Cb 0.51 0.87 -0.06 0.00 -0.74 0.00 0.00 36.82 37.40 3iwp h ILE 103 CO 0.03 0.05 0.18 0.03 0.00 0.00 0.00 178.15 178.43 3iwp h ARG 104 N -0.48 0.34 -0.54 2.37 3.08 -1.10 -1.24 114.38 116.80 3iwp h ARG 104 Ca -0.04 -0.02 -0.08 0.00 0.07 0.00 0.00 59.98 59.91 3iwp h ARG 104 Cb 0.36 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.31 3iwp h ARG 104 CO 0.06 0.22 0.01 -0.07 -1.07 0.00 0.00 179.97 179.12 3iwp h LEU 105 N 0.35 0.89 -0.76 3.04 -0.00 -0.53 -2.42 115.31 115.88 3iwp h LEU 105 Ca 0.26 -0.23 -0.10 0.00 -0.00 0.00 0.00 57.88 57.80 3iwp h LEU 105 Cb 0.30 -0.24 -0.02 0.00 -0.00 0.00 0.00 40.66 40.70 3iwp h LEU 105 CO -0.27 0.95 -0.17 0.00 -0.00 0.00 0.00 178.44 178.95 3iwp h ALA 106 N 1.15 0.94 0.02 1.53 0.00 -0.00 -2.35 119.26 120.54 3iwp h ALA 106 Ca 0.16 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 3iwp h ALA 106 Cb 0.49 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3iwp h ALA 106 CO 0.02 0.61 -0.01 0.87 0.00 0.00 0.00 179.25 180.75 3iwp h LYS 107 N 0.68 -0.02 -0.92 0.00 1.57 -1.12 -1.17 116.57 115.60 3iwp h LYS 107 Ca 0.11 0.00 0.21 0.00 -1.87 0.00 0.00 60.65 59.10 3iwp h LYS 107 Cb 0.66 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.91 3iwp h LYS 107 CO 0.05 0.05 0.61 1.25 -0.57 0.00 0.00 179.45 180.84 3iwp h LEU 108 N -0.09 0.38 -3.09 2.94 7.12 -1.21 -2.06 115.31 119.30 3iwp h LEU 108 Ca -0.00 0.04 0.00 0.00 0.13 0.00 0.00 57.88 58.05 3iwp h LEU 108 Cb 0.08 -0.03 0.00 0.00 -0.53 0.00 0.00 40.66 40.19 3iwp h LEU 108 CO 0.00 0.14 0.00 -1.22 -0.13 0.00 0.00 178.44 177.24 3iwp n TYR 109 N -4.50 1.37 0.00 1.25 4.02 -0.90 -4.94 117.16 113.45 3iwp n TYR 109 Ca 0.20 -0.60 0.00 0.00 -0.01 0.00 0.00 57.90 57.48 3iwp n TYR 109 Cb 0.73 -0.21 0.00 0.00 -0.02 0.00 0.00 39.34 39.84 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 1.10 1.11 3.67 2.72 0.00 -0.77 -4.56 105.19 108.47 3iwp n GLY 110 Ca 0.25 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.17 1.16 1.19 4.61 0.00 -0.47 -4.84 120.51 120.99 3iwp n ALA 111 Ca 0.00 0.41 0.13 0.00 0.00 0.00 0.00 53.44 53.98 3iwp n ALA 111 Cb 0.00 -2.28 0.26 0.00 0.00 0.00 0.00 19.45 17.43 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 2.14 2.35 -3.65 0.00 8.00 0.06 -4.82 116.55 120.63 3iwp n ASP 112 Ca 0.11 -1.76 0.00 0.00 0.71 0.00 0.00 54.79 53.85 3iwp n ASP 112 Cb 0.32 0.03 -0.00 0.00 -0.02 0.00 0.00 41.12 41.44 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 -2.04 -0.29 0.07 0.44 0.00 -1.24 -4.35 107.32 99.91 3iwp s GLY 113 Ca 0.31 0.39 0.01 0.00 0.00 0.00 0.00 44.72 45.43 3iwp s GLY 113 CO 0.33 1.14 -0.06 1.08 0.00 0.00 0.00 173.10 175.60 3iwp s LEU 114 N -3.14 2.43 -0.29 0.66 1.43 0.13 -2.74 118.68 117.15 3iwp s LEU 114 Ca 0.17 -0.86 -0.05 0.00 -1.03 0.00 0.00 54.13 52.36 3iwp s LEU 114 Cb 0.02 -0.01 0.16 0.00 0.03 0.00 0.00 46.19 46.39 3iwp s LEU 114 CO -0.01 -0.43 0.60 -0.69 0.23 0.00 0.00 176.35 176.04 3iwp s VAL 115 N -3.03 -0.96 0.00 -1.59 1.01 -1.16 0.89 120.40 115.55 3iwp s VAL 115 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.02 3iwp s VAL 115 Cb 0.01 -0.97 0.00 0.00 0.00 0.00 0.00 36.38 35.42 3iwp s VAL 115 CO -0.05 -0.00 0.00 2.22 0.00 0.00 0.00 175.10 177.27 3iwp n PHE 116 N 5.43 0.00 0.00 5.22 1.16 -1.15 -1.88 117.46 126.24 3iwp n PHE 116 Ca -0.06 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.52 3iwp n PHE 116 Cb 0.50 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.37 3iwp n PHE 116 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 3iwp n GLY 117 N 2.40 2.04 3.19 4.97 0.00 -1.26 -3.32 105.19 113.22 3iwp n GLY 117 Ca 0.00 -1.39 -0.12 0.00 0.00 0.00 0.00 46.02 44.51 3iwp n GLY 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iwp s ALA 118 N -0.08 1.10 0.08 4.61 0.00 -1.26 -4.91 121.76 121.30 3iwp s ALA 118 Ca 0.00 -1.43 0.01 0.00 0.00 0.00 0.00 51.96 50.54 3iwp s ALA 118 Cb 0.00 0.30 -0.04 0.00 0.00 0.00 0.00 23.12 23.38 3iwp s ALA 118 CO 0.00 -0.26 -0.06 -0.51 0.00 0.00 0.00 175.76 174.93 3iwp s LEU 119 N -3.09 2.47 0.60 0.00 1.43 0.11 -2.95 118.68 117.25 3iwp s LEU 119 Ca 0.16 -0.94 -0.04 0.00 -1.03 0.00 0.00 54.13 52.28 3iwp s LEU 119 Cb 0.05 -0.04 0.03 0.00 0.03 0.00 0.00 46.19 46.26 3iwp s LEU 119 CO -0.02 -0.45 0.88 -0.89 0.23 0.00 0.00 176.35 176.11 3iwp s THR 120 N -3.34 3.08 0.42 5.49 2.01 0.86 -4.34 115.64 119.82 3iwp s THR 120 Ca 0.08 -0.27 0.11 0.00 0.31 0.00 0.00 61.69 61.91 3iwp s THR 120 Cb 0.03 -3.23 0.30 0.00 0.01 0.00 0.00 72.50 69.62 3iwp s THR 120 CO -0.05 -0.21 2.01 -0.33 -0.69 0.00 0.00 174.62 175.35 3iwp h GLU 121 N -0.19 0.46 0.00 4.92 5.08 -1.97 -2.48 114.58 120.40 3iwp h GLU 121 Ca -0.45 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 3iwp h GLU 121 Cb 1.28 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.43 3iwp h GLU 121 CO 0.58 0.30 0.00 -0.25 -1.00 0.00 0.00 179.01 178.65 3iwp n ASP 122 N -4.47 0.00 0.00 1.42 9.92 -1.26 -4.88 116.55 117.27 3iwp n ASP 122 Ca 0.07 0.15 0.00 0.00 -0.53 0.00 0.00 54.79 54.48 3iwp n ASP 122 Cb 0.25 -0.35 0.00 0.00 -0.64 0.00 0.00 41.12 40.38 3iwp n ASP 122 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3iwp n GLY 123 N 0.47 0.66 3.93 0.44 0.00 -0.93 -4.62 105.19 105.14 3iwp n GLY 123 Ca 0.08 -0.69 -0.28 0.00 0.00 0.00 0.00 46.02 45.13 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 3.49 0.32 1.61 3.76 -1.26 -0.81 115.29 120.41 3iwp s HIS 124 Ca 0.00 0.25 -0.29 0.00 -0.15 0.00 0.00 55.06 54.87 3iwp s HIS 124 Cb 0.00 -1.77 -0.10 0.00 1.11 0.00 0.00 32.58 31.82 3iwp s HIS 124 CO 0.00 0.49 1.36 0.96 -0.85 0.00 0.00 174.74 176.70 3iwp s ILE 125 N -1.71 2.61 -0.97 0.60 -5.25 -1.26 -0.10 121.20 115.12 3iwp s ILE 125 Ca 0.36 0.59 -0.22 0.00 -0.99 0.00 0.00 60.65 60.39 3iwp s ILE 125 Cb -0.12 -3.38 0.07 0.00 2.95 0.00 0.00 42.46 41.99 3iwp s ILE 125 CO 0.28 0.13 1.33 -0.62 -1.79 0.00 0.00 174.94 174.28 3iwp s ASP 126 N -0.29 6.51 0.16 4.36 3.68 -1.15 -4.67 116.67 125.27 3iwp s ASP 126 Ca 0.51 -1.56 -0.20 0.00 2.13 0.00 0.00 52.55 53.43 3iwp s ASP 126 Cb -0.41 -2.51 0.07 0.00 -1.45 0.00 0.00 42.92 38.61 3iwp s ASP 126 CO 0.53 -1.39 1.63 0.11 0.13 0.00 0.00 175.17 176.18 3iwp h LYS 127 N 9.52 -0.17 0.10 4.34 1.57 -1.92 -1.36 116.57 128.65 3iwp h LYS 127 Ca 0.15 0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.95 3iwp h LYS 127 Cb 1.02 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.34 3iwp h LYS 127 CO 1.32 -0.11 -0.17 1.49 -0.57 0.00 0.00 179.45 181.41 3iwp h GLU 128 N -0.17 -0.31 -1.00 3.15 4.81 -2.00 -1.30 114.58 117.76 3iwp h GLU 128 Ca 0.17 0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.45 3iwp h GLU 128 Cb 0.44 0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.83 3iwp h GLU 128 CO -0.44 -0.21 0.66 1.25 -0.73 0.00 0.00 179.01 179.54 3iwp h LEU 129 N -0.33 1.11 -1.23 1.64 6.46 -1.94 -1.04 115.31 119.99 3iwp h LEU 129 Ca 0.02 -0.02 -0.04 0.00 -0.12 0.00 0.00 57.88 57.72 3iwp h LEU 129 Cb 0.34 -0.27 -0.02 0.00 -0.73 0.00 0.00 40.66 39.99 3iwp h LEU 129 CO -0.09 0.78 0.06 0.00 -0.62 0.00 0.00 178.44 178.58 3iwp h MET 131 N 0.58 0.17 -0.11 0.00 2.86 -0.02 0.20 114.93 118.61 3iwp h MET 131 Ca 0.13 -0.05 0.04 0.00 -2.06 0.00 0.00 59.70 57.76 3iwp h MET 131 Cb 0.27 -0.02 -0.06 0.00 0.06 0.00 0.00 31.60 31.86 3iwp h MET 131 CO 0.00 0.40 -0.26 0.77 1.06 0.00 0.00 176.91 178.88 3iwp h SER 132 N -0.09 -0.80 -0.75 1.22 0.02 -1.19 0.21 113.55 112.17 3iwp h SER 132 Ca 0.03 0.12 -0.06 0.00 -0.84 0.00 0.00 61.79 61.04 3iwp h SER 132 Cb 0.32 0.35 -0.03 0.00 0.14 0.00 0.00 62.40 63.18 3iwp h SER 132 CO 0.00 -0.31 0.23 -0.07 -1.14 0.00 0.00 176.83 175.54 3iwp h LEU 133 N -0.34 1.09 -0.21 5.07 3.38 -1.26 -2.69 115.31 120.35 3iwp h LEU 133 Ca 0.09 -0.21 0.02 0.00 0.09 0.00 0.00 57.88 57.87 3iwp h LEU 133 Cb 0.48 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 3iwp h LEU 133 CO -0.30 1.01 0.09 0.24 0.09 0.00 0.00 178.44 179.57 3iwp h MET 134 N 1.11 0.19 -0.87 1.13 2.86 -0.59 -1.79 114.93 116.98 3iwp h MET 134 Ca 0.24 -0.01 0.18 0.00 -2.06 0.00 0.00 59.70 58.05 3iwp h MET 134 Cb 0.31 -0.04 -0.11 0.00 0.06 0.00 0.00 31.60 31.82 3iwp h MET 134 CO -0.01 0.13 0.42 0.00 1.06 0.00 0.00 176.91 178.51 3iwp h ALA 135 N 1.12 1.34 0.00 6.32 0.00 -0.26 -1.76 119.26 126.02 3iwp h ALA 135 Ca 0.09 0.12 -0.21 0.00 0.00 0.00 0.00 54.91 54.90 3iwp h ALA 135 Cb 0.04 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 3iwp h ALA 135 CO -0.07 -0.19 -0.90 0.82 0.00 0.00 0.00 179.25 178.90 3iwp h ILE 136 N 0.53 1.45 -0.04 0.00 2.04 -1.29 -3.26 117.51 116.95 3iwp h ILE 136 Ca 0.50 -2.53 -0.10 0.00 1.00 0.00 0.00 64.86 63.72 3iwp h ILE 136 Cb 0.82 2.44 -0.01 0.00 -0.74 0.00 0.00 36.82 39.32 3iwp h ILE 136 CO -0.43 0.75 -0.45 0.00 0.00 0.00 0.00 178.15 178.01 3iwp n ARG 138 N -3.99 1.69 -0.08 0.00 5.12 -0.89 -1.32 116.66 117.19 3iwp n ARG 138 Ca -0.02 0.60 0.10 0.00 -1.93 0.00 0.00 57.85 56.60 3iwp n ARG 138 Cb 0.49 -2.14 0.38 0.00 -1.16 0.00 0.00 32.46 30.03 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 0.39 1.67 -2.18 5.56 -0.04 -1.26 -5.06 135.00 134.08 3iwp n PRO 139 Ca 0.07 -1.01 -0.36 0.00 -0.04 0.00 0.00 63.50 62.17 3iwp n PRO 139 Cb 0.37 -1.38 0.01 0.00 -0.04 0.00 0.00 33.50 32.45 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 -1.55 3.83 0.46 1.53 1.43 -0.43 -4.99 118.68 118.96 3iwp s LEU 140 Ca 0.31 2.31 -0.24 0.00 -1.03 0.00 0.00 54.13 55.48 3iwp s LEU 140 Cb 0.17 -4.45 -0.07 0.00 0.03 0.00 0.00 46.19 41.87 3iwp s LEU 140 CO 0.25 -1.22 1.30 -2.16 0.23 0.00 0.00 176.35 174.76 3iwp s PRO 141 N -3.07 3.65 0.01 1.29 0.04 -1.26 -4.81 135.00 130.85 3iwp s PRO 141 Ca 0.71 2.13 0.08 0.00 0.04 0.00 0.00 61.00 63.95 3iwp s PRO 141 Cb -0.28 -2.52 -0.02 0.00 0.04 0.00 0.00 34.50 31.72 3iwp s PRO 141 CO 0.32 -0.75 -0.24 0.08 0.04 0.00 0.00 177.00 176.45 3iwp s VAL 142 N -1.33 1.96 -0.08 -0.36 1.01 -1.25 0.18 120.40 120.52 3iwp s VAL 142 Ca 0.63 -1.19 0.00 0.00 0.00 0.00 0.00 61.98 61.43 3iwp s VAL 142 Cb -0.37 -1.65 -0.03 0.00 0.00 0.00 0.00 36.38 34.33 3iwp s VAL 142 CO 0.46 0.43 -0.07 0.42 0.00 0.00 0.00 175.10 176.34 3iwp s THR 143 N -0.69 3.69 -0.16 3.92 -4.23 0.26 -2.82 115.64 115.62 3iwp s THR 143 Ca 0.10 -0.47 -0.28 0.00 -1.18 0.00 0.00 61.69 59.85 3iwp s THR 143 Cb -0.09 -2.53 -0.01 0.00 1.34 0.00 0.00 72.50 71.21 3iwp s THR 143 CO 0.01 0.58 0.97 0.12 -0.54 0.00 0.00 174.62 175.76 3iwp s PHE 144 N -0.56 3.44 0.00 3.99 5.36 0.86 -2.95 117.98 128.12 3iwp s PHE 144 Ca 0.08 1.48 0.00 0.00 -0.96 0.00 0.00 56.93 57.53 3iwp s PHE 144 Cb -0.12 -3.17 0.00 0.00 -0.34 0.00 0.00 43.02 39.40 3iwp s PHE 144 CO 0.02 -0.30 0.00 -2.39 -1.46 0.00 0.00 175.22 171.09 3iwp n HIS 145 N 5.42 -0.47 1.12 10.12 1.44 -1.21 0.15 115.22 131.79 3iwp n HIS 145 Ca 0.09 0.00 0.01 0.00 -2.01 0.00 0.00 57.72 55.80 3iwp n HIS 145 Cb 0.48 0.00 0.03 0.00 0.12 0.00 0.00 29.99 30.62 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 -0.13 0.56 -0.18 -1.40 1.74 -1.23 -1.56 116.66 114.47 3iwp n ARG 146 Ca 0.00 0.00 0.14 0.00 -0.77 0.00 0.00 57.85 57.22 3iwp n ARG 146 Cb 0.00 -1.03 0.48 0.00 -1.02 0.00 0.00 32.46 30.89 3iwp n ARG 146 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3iwp h ALA 147 N 2.18 2.04 -0.98 7.54 0.00 -1.86 -1.60 119.26 126.58 3iwp h ALA 147 Ca 0.00 0.00 0.24 0.00 0.00 0.00 0.00 54.91 55.15 3iwp h ALA 147 Cb 0.00 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 17.64 3iwp h ALA 147 CO 0.00 -0.24 0.65 0.35 0.00 0.00 0.00 179.25 180.01 3iwp h PHE 148 N 0.48 0.50 0.00 0.00 3.57 -1.57 -0.14 116.94 119.78 3iwp h PHE 148 Ca 0.37 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.89 3iwp h PHE 148 Cb 0.77 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.36 3iwp h PHE 148 CO -0.00 0.09 0.00 -0.25 -2.23 0.00 0.00 178.31 175.92 3iwp n ASP 149 N -4.51 0.00 -1.35 0.41 10.43 -0.60 -2.90 116.55 118.03 3iwp n ASP 149 Ca 0.22 0.36 0.07 0.00 2.57 0.00 0.00 54.79 58.01 3iwp n ASP 149 Cb 0.83 -0.44 0.32 0.00 1.84 0.00 0.00 41.12 43.67 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 -1.44 3.75 -3.67 -1.24 2.81 -0.07 -4.55 117.12 112.71 3iwp n MET 150 Ca 0.06 -3.00 -0.31 0.00 -1.81 0.00 0.00 57.70 52.64 3iwp n MET 150 Cb 0.20 -2.04 -0.05 0.00 -0.71 0.00 0.00 33.22 30.63 3iwp n MET 150 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 3iwp s VAL 151 N -2.83 5.17 0.02 2.03 0.11 -1.14 -4.81 120.40 118.95 3iwp s VAL 151 Ca 0.48 0.00 -0.25 0.00 -2.93 0.00 0.00 61.98 59.28 3iwp s VAL 151 Cb 0.38 -3.63 -0.17 0.00 -1.53 0.00 0.00 36.38 31.42 3iwp s VAL 151 CO 0.12 0.02 1.40 -0.74 -3.33 0.00 0.00 175.10 172.57 3iwp h HIS 152 N 2.75 -0.18 -3.11 1.54 -0.00 -1.23 -3.41 115.15 111.51 3iwp h HIS 152 Ca -0.46 -0.00 -0.59 0.00 -0.00 0.00 0.00 60.37 59.32 3iwp h HIS 152 Cb 1.17 0.06 -0.40 0.00 -0.00 0.00 0.00 27.41 28.24 3iwp h HIS 152 CO 0.61 0.11 -0.76 0.34 -0.00 0.00 0.00 177.93 178.23 3iwp s ASP 153 N -5.27 3.94 0.37 3.26 2.15 -1.26 -5.02 116.67 114.84 3iwp s ASP 153 Ca -0.15 -1.82 0.05 0.00 0.43 0.00 0.00 52.55 51.07 3iwp s ASP 153 Cb 0.03 -0.88 0.72 0.00 -0.30 0.00 0.00 42.92 42.49 3iwp s ASP 153 CO 0.62 -0.39 1.99 1.55 -0.17 0.00 0.00 175.17 178.77 3iwp h PRO 154 N 7.83 0.62 -0.20 4.34 0.13 -1.91 0.01 132.00 142.82 3iwp h PRO 154 Ca -0.11 -0.06 -0.01 0.00 -0.87 0.00 0.00 66.00 64.95 3iwp h PRO 154 Cb 1.00 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 32.00 3iwp h PRO 154 CO 0.47 0.47 0.09 0.52 -0.23 0.00 0.00 178.00 179.32 3iwp h MET 155 N 0.62 0.29 -0.50 0.86 2.86 -1.99 0.14 114.93 117.21 3iwp h MET 155 Ca 0.16 -0.04 -0.13 0.00 -2.06 0.00 0.00 59.70 57.63 3iwp h MET 155 Cb 0.05 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 3iwp h MET 155 CO -0.02 0.32 -0.19 0.00 1.06 0.00 0.00 176.91 178.07 3iwp h ALA 156 N 0.96 0.69 -0.91 6.32 0.00 -1.89 -2.32 119.26 122.10 3iwp h ALA 156 Ca 0.07 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 3iwp h ALA 156 Cb 0.12 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 3iwp h ALA 156 CO -0.01 0.67 0.53 0.00 0.00 0.00 0.00 179.25 180.44 3iwp h ALA 157 N 0.88 1.20 -0.54 0.00 0.00 -0.87 -1.76 119.26 118.17 3iwp h ALA 157 Ca 0.12 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3iwp h ALA 157 Cb 0.77 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 3iwp h ALA 157 CO 0.06 0.66 0.27 1.25 0.00 0.00 0.00 179.25 181.49 3iwp h LEU 158 N 1.27 0.67 0.14 0.00 5.85 -0.30 -1.71 115.31 121.23 3iwp h LEU 158 Ca 0.33 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.98 3iwp h LEU 158 Cb -0.01 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 40.85 3iwp h LEU 158 CO -0.06 0.57 -0.07 -0.08 -0.34 0.00 0.00 178.44 178.47 3iwp h GLU 159 N 0.76 -0.18 -0.19 1.25 4.22 -0.81 -2.14 114.58 117.48 3iwp h GLU 159 Ca 0.19 0.01 -0.06 0.00 0.08 0.00 0.00 59.36 59.58 3iwp h GLU 159 Cb 0.07 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 3iwp h GLU 159 CO -0.03 0.09 -0.14 1.79 -2.18 0.00 0.00 179.01 178.54 3iwp h THR 160 N -0.43 1.20 -0.45 0.32 1.35 -1.11 0.16 112.91 113.96 3iwp h THR 160 Ca -0.02 -0.89 -0.05 0.00 -0.55 0.00 0.00 66.41 64.90 3iwp h THR 160 Cb 0.35 1.21 -0.02 0.00 -1.73 0.00 0.00 68.15 67.96 3iwp h THR 160 CO 0.03 0.28 0.07 -0.07 -0.25 0.00 0.00 175.52 175.58 3iwp h LEU 161 N 0.29 0.64 -0.31 3.87 3.38 -1.28 -0.97 115.31 120.94 3iwp h LEU 161 Ca 0.06 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 3iwp h LEU 161 Cb 0.43 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 3iwp h LEU 161 CO 0.03 0.67 -0.05 0.25 0.09 0.00 0.00 178.44 179.43 3iwp h LEU 162 N 0.66 0.57 -1.63 1.67 7.12 -0.45 -1.69 115.31 121.56 3iwp h LEU 162 Ca 0.14 -0.35 -0.03 0.00 0.13 0.00 0.00 57.88 57.78 3iwp h LEU 162 Cb 0.31 -0.15 -0.01 0.00 -0.53 0.00 0.00 40.66 40.28 3iwp h LEU 162 CO 0.00 0.78 -0.11 0.00 -0.13 0.00 0.00 178.44 178.99 3iwp h THR 163 N 0.35 1.12 0.00 1.05 1.03 -0.43 -2.91 112.91 113.12 3iwp h THR 163 Ca 0.08 -0.53 0.00 0.00 -0.01 0.00 0.00 66.41 65.95 3iwp h THR 163 Cb 0.52 1.19 0.00 0.00 -1.07 0.00 0.00 68.15 68.79 3iwp h THR 163 CO 0.02 0.16 -0.70 -0.07 -0.01 0.00 0.00 175.52 174.93 3iwp h LEU 164 N 0.10 0.00 0.00 0.00 3.38 -0.90 -3.48 115.31 114.40 3iwp h LEU 164 Ca 0.02 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.86 3iwp h LEU 164 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 3iwp h LEU 164 CO 0.02 0.06 0.00 0.61 0.09 0.00 0.00 178.44 179.22 3iwp n GLY 165 N 1.27 0.91 3.75 0.83 0.00 -0.66 -5.06 105.19 106.23 3iwp n GLY 165 Ca 0.02 -0.29 -0.41 0.00 0.00 0.00 0.00 46.02 45.34 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 3.10 -0.25 1.61 0.40 -1.04 -4.92 117.98 114.88 3iwp s PHE 166 Ca 0.00 1.23 0.21 0.00 -0.60 0.00 0.00 56.93 57.77 3iwp s PHE 166 Cb 0.00 -3.71 0.04 0.00 0.51 0.00 0.00 43.02 39.86 3iwp s PHE 166 CO 0.00 -2.14 1.12 1.05 0.70 0.00 0.00 175.22 175.95 3iwp h GLU 167 N 4.46 0.00 -3.57 0.44 9.09 -1.87 -3.45 114.58 119.68 3iwp h GLU 167 Ca -0.47 0.00 -0.18 0.00 0.05 0.00 0.00 59.36 58.76 3iwp h GLU 167 Cb 1.22 0.00 -0.24 0.00 -1.65 0.00 0.00 28.75 28.08 3iwp h GLU 167 CO 0.73 0.07 -0.58 1.03 0.05 0.00 0.00 179.01 180.31 3iwp s ARG 168 N -3.25 0.26 -0.05 1.06 0.52 -1.22 -0.12 118.95 116.16 3iwp s ARG 168 Ca 0.01 -0.15 0.05 0.00 -0.52 0.00 0.00 55.73 55.12 3iwp s ARG 168 Cb 0.09 0.11 -0.01 0.00 0.52 0.00 0.00 34.95 35.66 3iwp s ARG 168 CO 0.77 -0.05 -0.20 0.08 0.02 0.00 0.00 175.30 175.92 3iwp s VAL 169 N -0.63 1.64 -0.21 3.52 1.01 0.34 -0.10 120.40 125.96 3iwp s VAL 169 Ca -0.07 -0.83 -0.15 0.00 0.00 0.00 0.00 61.98 60.93 3iwp s VAL 169 Cb -0.04 -1.40 -0.04 0.00 0.00 0.00 0.00 36.38 34.90 3iwp s VAL 169 CO 0.00 0.46 0.34 -0.22 0.00 0.00 0.00 175.10 175.69 3iwp s LEU 170 N -0.04 4.15 -0.04 3.92 0.20 0.12 -0.34 118.68 126.66 3iwp s LEU 170 Ca -0.04 0.42 -0.16 0.00 0.69 0.00 0.00 54.13 55.05 3iwp s LEU 170 Cb -0.12 -2.41 0.03 0.00 -0.43 0.00 0.00 46.19 43.25 3iwp s LEU 170 CO 0.03 -0.04 0.35 0.28 -0.29 0.00 0.00 176.35 176.68 3iwp s THR 171 N 1.21 0.04 -0.51 3.68 -1.32 0.27 -3.48 115.64 115.53 3iwp s THR 171 Ca 0.16 -0.35 0.15 0.00 -1.21 0.00 0.00 61.69 60.45 3iwp s THR 171 Cb -0.14 -0.63 0.54 0.00 -1.51 0.00 0.00 72.50 70.76 3iwp s THR 171 CO 0.07 -0.19 1.45 -1.20 -2.21 0.00 0.00 174.62 172.54 3iwp n SER 172 N 1.55 4.00 -3.91 8.08 7.64 -1.26 -1.63 113.62 128.08 3iwp n SER 172 Ca -0.20 -2.69 -0.30 0.00 1.01 0.00 0.00 58.87 56.69 3iwp n SER 172 Cb 0.56 -0.49 0.02 0.00 -1.01 0.00 0.00 64.21 63.30 3iwp n SER 172 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3iwp n GLY 173 N 0.10 -0.50 2.57 0.23 0.00 -1.26 -2.46 105.19 103.87 3iwp n GLY 173 Ca 0.20 0.19 -0.21 0.00 0.00 0.00 0.00 46.02 46.21 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 -2.15 0.53 -0.00 0.00 -0.08 -1.03 -4.99 116.55 108.83 3iwp n ASP 175 Ca -0.21 -1.08 0.14 0.00 -1.51 0.00 0.00 54.79 52.13 3iwp n ASP 175 Cb 0.67 0.05 0.63 0.00 2.34 0.00 0.00 41.12 44.81 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 -2.43 0.01 -3.52 1.67 3.41 -1.26 -4.83 113.62 106.67 3iwp n SER 176 Ca -0.00 0.41 -0.08 0.00 -0.26 0.00 0.00 58.87 58.94 3iwp n SER 176 Cb 0.02 -0.46 -0.02 0.00 -0.26 0.00 0.00 64.21 63.49 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 -2.95 -0.36 0.27 4.04 1.04 -1.26 -4.83 113.70 109.65 3iwp s SER 177 Ca 0.16 -0.04 -0.03 0.00 0.48 0.00 0.00 55.95 56.51 3iwp s SER 177 Cb 0.19 0.41 0.38 0.00 0.10 0.00 0.00 66.02 67.10 3iwp s SER 177 CO 0.52 -0.68 1.93 0.00 0.98 0.00 0.00 173.24 176.00 3iwp h ALA 178 N 2.00 1.37 -0.29 5.32 0.00 -1.43 -0.95 119.26 125.28 3iwp h ALA 178 Ca -0.23 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 3iwp h ALA 178 Cb 1.25 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 3iwp h ALA 178 CO 0.31 0.55 0.10 1.25 0.00 0.00 0.00 179.25 181.46 3iwp h LEU 179 N 1.21 0.42 -1.20 0.00 6.46 -1.90 0.14 115.31 120.44 3iwp h LEU 179 Ca 0.36 -0.19 0.01 0.00 -0.12 0.00 0.00 57.88 57.94 3iwp h LEU 179 Cb -0.04 -0.11 -0.04 0.00 -0.73 0.00 0.00 40.66 39.74 3iwp h LEU 179 CO -0.10 0.50 0.54 -0.33 -0.62 0.00 0.00 178.44 178.43 3iwp h GLU 180 N 0.32 1.06 -0.68 1.25 4.39 -1.73 -1.64 114.58 117.55 3iwp h GLU 180 Ca 0.10 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.73 3iwp h GLU 180 Cb 0.22 -0.24 0.00 0.00 -0.10 0.00 0.00 28.75 28.63 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 -1.41 2.24 0.25 -3.84 0.00 -0.42 -4.56 105.19 97.46 3iwp n GLY 181 Ca 0.09 -0.75 0.03 0.00 0.00 0.00 0.00 46.02 45.39 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 4.00 -0.29 -1.58 0.99 6.46 0.29 -1.34 115.31 123.82 3iwp h LEU 182 Ca 0.00 0.17 0.00 0.00 -0.12 0.00 0.00 57.88 57.93 3iwp h LEU 182 Cb 0.96 0.30 -0.02 0.00 -0.73 0.00 0.00 40.66 41.17 3iwp h LEU 182 CO 0.02 -0.13 0.27 -0.65 -0.62 0.00 0.00 178.44 177.33 3iwp h PRO 183 N 0.12 0.55 0.03 5.25 0.11 -1.81 -0.91 132.00 135.34 3iwp h PRO 183 Ca 0.36 -0.03 -0.27 0.00 0.11 0.00 0.00 66.00 66.16 3iwp h PRO 183 Cb 0.60 -0.12 0.02 0.00 0.11 0.00 0.00 31.00 31.61 3iwp h PRO 183 CO -0.58 0.37 -1.08 1.25 -0.21 0.00 0.00 178.00 177.75 3iwp h LEU 184 N 0.57 0.90 -1.55 2.35 5.85 -1.63 -2.61 115.31 119.20 3iwp h LEU 184 Ca 0.15 -0.76 0.05 0.00 0.84 0.00 0.00 57.88 58.16 3iwp h LEU 184 Cb -0.06 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.66 3iwp h LEU 184 CO -0.03 1.55 0.37 0.16 -0.34 0.00 0.00 178.44 180.14 3iwp h ILE 185 N 0.35 1.03 0.15 4.05 3.07 -0.96 -1.13 117.51 124.07 3iwp h ILE 185 Ca -0.14 -0.20 -0.01 0.00 1.55 0.00 0.00 64.86 66.06 3iwp h ILE 185 Cb 1.74 0.40 0.00 0.00 -0.27 0.00 0.00 36.82 38.70 3iwp h ILE 185 CO 0.21 0.11 -0.07 0.50 -1.05 0.00 0.00 178.15 177.85 3iwp h LYS 186 N 0.58 -0.19 -0.46 0.16 3.64 -0.93 -1.68 116.57 117.68 3iwp h LYS 186 Ca 0.23 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.61 3iwp h LYS 186 Cb 0.18 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.02 3iwp h LYS 186 CO -0.06 -0.13 0.24 0.00 -2.27 0.00 0.00 179.45 177.23 3iwp h ARG 187 N -0.20 0.62 -0.10 1.90 3.08 -1.09 -0.96 114.38 117.65 3iwp h ARG 187 Ca -0.02 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 59.95 3iwp h ARG 187 Cb 0.15 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.07 3iwp h ARG 187 CO 0.03 0.47 0.00 -0.07 -1.07 0.00 0.00 179.97 179.34 3iwp h LEU 188 N 0.63 0.17 -1.41 3.04 3.38 -0.97 -0.62 115.31 119.52 3iwp h LEU 188 Ca 0.16 -0.31 0.05 0.00 0.09 0.00 0.00 57.88 57.87 3iwp h LEU 188 Cb 0.04 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 3iwp h LEU 188 CO -0.03 0.44 0.45 0.40 0.09 0.00 0.00 178.44 179.79 3iwp h ILE 189 N -0.11 1.05 -0.21 1.22 2.04 -1.09 0.21 117.51 120.62 3iwp h ILE 189 Ca 0.03 -0.25 -0.02 0.00 1.00 0.00 0.00 64.86 65.61 3iwp h ILE 189 Cb 0.35 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 3iwp h ILE 189 CO 0.00 0.14 0.03 -0.33 0.00 0.00 0.00 178.15 177.99 3iwp h GLU 190 N 0.74 0.34 0.00 2.37 5.08 -0.84 -2.96 114.58 119.31 3iwp h GLU 190 Ca 0.28 -0.09 -0.12 0.00 -1.00 0.00 0.00 59.36 58.43 3iwp h GLU 190 Cb 0.18 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 3iwp h GLU 190 CO -0.09 0.49 -0.58 -0.56 -1.00 0.00 0.00 179.01 177.27 3iwp h GLN 191 N 0.14 0.00 -0.47 2.33 3.07 -0.67 -3.24 115.11 116.27 3iwp h GLN 191 Ca 0.06 0.00 -0.07 0.00 0.09 0.00 0.00 58.65 58.73 3iwp h GLN 191 Cb 0.31 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.85 3iwp h GLN 191 CO 0.00 0.58 0.01 0.00 0.09 0.00 0.00 178.83 179.52 3iwp h ALA 192 N 1.42 1.14 -4.83 0.06 0.00 -0.56 -3.47 119.26 113.02 3iwp h ALA 192 Ca -0.01 -0.25 -0.41 0.00 0.00 0.00 0.00 54.91 54.24 3iwp h ALA 192 Cb 1.23 -0.19 0.06 0.00 0.00 0.00 0.00 17.79 18.89 3iwp h ALA 192 CO 0.08 0.56 -0.62 1.63 0.00 0.00 0.00 179.25 180.89 3iwp n LYS 193 N -4.23 -5.35 0.00 0.00 5.02 -1.12 -1.50 118.16 110.98 3iwp n LYS 193 Ca 0.02 0.86 0.00 0.00 -2.02 0.00 0.00 58.31 57.18 3iwp n LYS 193 Cb 0.29 -5.75 0.00 0.00 -0.02 0.00 0.00 35.03 29.55 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 -1.59 2.76 0.27 0.72 0.00 -1.26 -4.88 105.19 101.20 3iwp n GLY 194 Ca -0.08 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.95 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 1.84 0.46 -5.02 1.61 3.08 -1.65 -3.43 114.38 111.28 3iwp h ARG 195 Ca 0.00 -0.09 -0.39 0.00 0.07 0.00 0.00 59.98 59.57 3iwp h ARG 195 Cb 0.00 -0.07 -0.24 0.00 0.08 0.00 0.00 29.97 29.74 3iwp h ARG 195 CO 0.00 0.49 -0.77 -1.50 -1.07 0.00 0.00 179.97 177.11 3iwp s ILE 196 N -4.98 0.89 -0.42 2.04 2.07 -1.26 -4.95 121.20 114.59 3iwp s ILE 196 Ca -0.07 -0.94 -0.27 0.00 -1.41 0.00 0.00 60.65 57.96 3iwp s ILE 196 Cb 0.16 -0.83 0.02 0.00 0.13 0.00 0.00 42.46 41.94 3iwp s ILE 196 CO 0.75 -0.09 0.98 -0.69 -1.91 0.00 0.00 174.94 173.99 3iwp s VAL 197 N -0.91 4.46 -0.55 4.00 1.01 0.83 -4.85 120.40 124.39 3iwp s VAL 197 Ca -0.01 1.10 -0.23 0.00 0.00 0.00 0.00 61.98 62.83 3iwp s VAL 197 Cb -0.08 -4.43 0.05 0.00 0.00 0.00 0.00 36.38 31.92 3iwp s VAL 197 CO 0.01 -0.73 0.88 -0.69 0.00 0.00 0.00 175.10 174.57 3iwp s VAL 198 N 3.80 4.48 -0.34 2.92 1.01 -1.26 -0.51 120.40 130.50 3iwp s VAL 198 Ca 0.40 0.08 -0.09 0.00 0.00 0.00 0.00 61.98 62.37 3iwp s VAL 198 Cb -0.10 -4.50 0.02 0.00 0.00 0.00 0.00 36.38 31.79 3iwp s VAL 198 CO 0.24 -1.08 0.16 -0.32 0.00 0.00 0.00 175.10 174.10 3iwp s MET 199 N 3.69 2.94 0.50 2.72 0.00 0.54 -4.71 119.30 124.98 3iwp s MET 199 Ca 0.27 -0.99 -0.21 0.00 0.00 0.00 0.00 55.69 54.76 3iwp s MET 199 Cb -0.14 -3.60 -0.07 0.00 0.00 0.00 0.00 34.83 31.01 3iwp s MET 199 CO 0.17 -0.60 1.12 -1.25 0.00 0.00 0.00 175.02 174.46 3iwp s PRO 200 N 1.54 3.62 0.00 4.11 0.04 -1.25 -0.56 135.00 142.49 3iwp s PRO 200 Ca 0.02 1.62 0.00 0.00 0.04 0.00 0.00 61.00 62.68 3iwp s PRO 200 Cb -0.18 -2.19 0.00 0.00 0.04 0.00 0.00 34.50 32.16 3iwp s PRO 200 CO 0.05 -0.63 0.00 0.41 0.04 0.00 0.00 177.00 176.87 3iwp n GLY 201 N 0.20 0.00 3.67 0.56 0.00 -0.65 -1.17 105.19 107.81 3iwp n GLY 201 Ca 0.09 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.65 3iwp n GLY 201 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iwp n GLY 202 N 1.58 1.18 3.01 -0.02 0.00 -1.26 -3.34 105.19 106.34 3iwp n GLY 202 Ca 0.00 0.67 -0.17 0.00 0.00 0.00 0.00 46.02 46.51 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 3.52 -0.49 3.76 -0.02 0.00 -1.26 -1.37 105.19 109.33 3iwp n GLY 203 Ca 0.17 0.05 -0.40 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.70 3.38 0.02 -0.61 1.01 -1.21 -4.90 121.20 116.18 3iwp s ILE 204 Ca 0.24 1.39 0.00 0.00 0.00 0.00 0.00 60.65 62.28 3iwp s ILE 204 Cb -0.13 -3.88 -0.00 0.00 0.01 0.00 0.00 42.46 38.46 3iwp s ILE 204 CO 0.29 0.33 0.02 1.07 0.00 0.00 0.00 174.94 176.65 3iwp n THR 205 N 1.13 0.00 1.55 2.92 5.66 -1.26 -4.48 114.28 119.79 3iwp n THR 205 Ca -0.01 -0.13 0.14 0.00 -3.05 0.00 0.00 64.05 61.00 3iwp n THR 205 Cb 0.44 0.07 0.65 0.00 -1.55 0.00 0.00 70.33 69.94 3iwp n THR 205 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 3iwp n ASP 206 N -2.78 0.64 -0.41 1.09 5.68 -1.26 -1.98 116.55 117.52 3iwp n ASP 206 Ca 0.00 -0.89 0.05 0.00 -0.50 0.00 0.00 54.79 53.45 3iwp n ASP 206 Cb 0.03 -0.03 0.12 0.00 -1.14 0.00 0.00 41.12 40.10 3iwp n ASP 206 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3iwp n ARG 207 N -0.69 2.78 0.00 0.11 1.74 -1.26 -4.59 116.66 114.75 3iwp n ARG 207 Ca 0.17 -2.03 0.00 0.00 -0.77 0.00 0.00 57.85 55.22 3iwp n ARG 207 Cb 0.26 -1.28 0.00 0.00 -1.02 0.00 0.00 32.46 30.42 3iwp n ARG 207 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 3iwp n ASN 208 N -0.13 0.00 -0.01 0.55 0.23 -1.22 -4.94 115.26 109.74 3iwp n ASN 208 Ca 0.10 -1.00 -0.13 0.00 -0.53 0.00 0.00 54.58 53.02 3iwp n ASN 208 Cb 0.45 0.00 -0.09 0.00 -2.08 0.00 0.00 39.78 38.06 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 0.00 0.06 -0.38 -4.53 6.46 -1.65 -2.97 115.31 112.30 3iwp h LEU 209 Ca 0.00 -0.40 0.03 0.00 -0.12 0.00 0.00 57.88 57.39 3iwp h LEU 209 Cb 0.78 -0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 40.66 3iwp h LEU 209 CO 0.00 0.45 0.19 -0.61 -0.62 0.00 0.00 178.44 177.85 3iwp h GLN 210 N -0.33 0.38 -0.77 1.25 4.15 -1.90 -0.20 115.11 117.69 3iwp h GLN 210 Ca 0.01 -0.02 0.05 0.00 0.77 0.00 0.00 58.65 59.45 3iwp h GLN 210 Cb 0.42 -0.08 -0.05 0.00 0.21 0.00 0.00 27.48 27.98 3iwp h GLN 210 CO 0.00 0.25 0.48 0.00 -1.93 0.00 0.00 178.83 177.63 3iwp h ARG 211 N 0.39 0.87 -0.09 1.69 3.08 -1.94 0.12 114.38 118.51 3iwp h ARG 211 Ca 0.16 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.14 3iwp h ARG 211 Cb 0.07 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 29.92 3iwp h ARG 211 CO -0.11 0.58 -0.01 0.82 -1.07 0.00 0.00 179.97 180.18 3iwp h ILE 212 N 0.90 1.27 0.52 2.04 2.04 -1.17 0.19 117.51 123.30 3iwp h ILE 212 Ca 0.32 -0.88 -0.03 0.00 1.00 0.00 0.00 64.86 65.28 3iwp h ILE 212 Cb 0.09 1.68 0.01 0.00 -0.74 0.00 0.00 36.82 37.86 3iwp h ILE 212 CO -0.14 0.25 -0.25 -0.07 0.00 0.00 0.00 178.15 177.94 3iwp h LEU 213 N -0.14 -0.59 -1.68 1.44 3.38 -0.83 -2.62 115.31 114.27 3iwp h LEU 213 Ca 0.02 -0.03 0.15 0.00 0.09 0.00 0.00 57.88 58.11 3iwp h LEU 213 Cb 0.39 0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.25 3iwp h LEU 213 CO 0.01 -0.34 0.47 -0.33 0.09 0.00 0.00 178.44 178.34 3iwp h GLU 214 N -0.81 0.31 -0.45 1.13 5.08 -0.70 -0.76 114.58 118.38 3iwp h GLU 214 Ca -0.07 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 3iwp h GLU 214 Cb 0.58 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.76 3iwp h GLU 214 CO 0.12 0.20 0.00 0.41 -1.00 0.00 0.00 179.01 178.74 3iwp n GLY 215 N -1.55 1.84 0.00 -3.84 0.00 0.67 -4.42 105.19 97.89 3iwp n GLY 215 Ca 0.13 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.40 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 1.52 3.54 0.00 1.61 3.41 -0.96 -4.65 113.62 118.09 3iwp n SER 216 Ca 0.20 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.81 3iwp n SER 216 Cb 0.61 0.36 0.00 0.00 -0.26 0.00 0.00 64.21 64.92 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 2.25 0.61 3.77 5.00 0.00 -0.33 -4.64 105.19 111.85 3iwp n GLY 217 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.14 2.70 -0.04 4.61 0.00 -1.26 -4.96 121.76 120.66 3iwp s ALA 218 Ca 0.00 0.90 0.08 0.00 0.00 0.00 0.00 51.96 52.94 3iwp s ALA 218 Cb 0.00 -3.39 -0.12 0.00 0.00 0.00 0.00 23.12 19.61 3iwp s ALA 218 CO 0.00 -0.86 0.12 -2.37 0.00 0.00 0.00 175.76 172.65 3iwp n THR 219 N -1.25 0.25 -5.09 0.00 5.66 -1.26 -4.86 114.28 107.73 3iwp n THR 219 Ca 0.11 -0.27 -0.29 0.00 -3.05 0.00 0.00 64.05 60.55 3iwp n THR 219 Cb 0.50 -0.18 -0.15 0.00 -1.55 0.00 0.00 70.33 68.95 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 -2.44 1.87 0.03 1.09 2.02 -1.26 -0.50 118.70 119.50 3iwp s GLU 220 Ca -0.04 -0.91 -0.05 0.00 0.02 0.00 0.00 54.97 53.99 3iwp s GLU 220 Cb 0.04 -1.86 -0.01 0.00 0.10 0.00 0.00 34.13 32.40 3iwp s GLU 220 CO 0.36 0.50 0.08 -0.59 0.02 0.00 0.00 175.26 175.64 3iwp s PHE 221 N -0.63 0.19 -0.10 1.61 -0.71 -0.72 -3.84 117.98 113.78 3iwp s PHE 221 Ca 0.10 -0.46 0.03 0.00 -1.04 0.00 0.00 56.93 55.56 3iwp s PHE 221 Cb -0.09 -0.14 -0.01 0.00 -1.21 0.00 0.00 43.02 41.57 3iwp s PHE 221 CO -0.00 -0.33 -0.21 -1.58 -1.34 0.00 0.00 175.22 171.76 3iwp s HIS 222 N -2.29 2.63 0.28 3.49 2.46 -0.32 -1.64 115.29 119.90 3iwp s HIS 222 Ca -0.08 -0.88 0.06 0.00 0.47 0.00 0.00 55.06 54.63 3iwp s HIS 222 Cb -0.03 -1.74 -0.02 0.00 -0.13 0.00 0.00 32.58 30.66 3iwp s HIS 222 CO -0.03 -0.33 0.21 0.00 -2.47 0.00 0.00 174.74 172.12 3iwp n SER 224 N -1.90 0.50 -3.63 0.00 2.88 -1.26 -3.45 113.62 106.76 3iwp n SER 224 Ca 0.05 0.09 -0.25 0.00 -1.33 0.00 0.00 58.87 57.42 3iwp n SER 224 Cb 0.49 -0.21 0.07 0.00 -0.75 0.00 0.00 64.21 63.81 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 -3.32 -1.28 -2.90 -1.46 0.00 -1.26 -4.78 120.51 105.52 3iwp n ALA 225 Ca -0.14 0.36 -0.27 0.00 0.00 0.00 0.00 53.44 53.39 3iwp n ALA 225 Cb 0.59 -5.26 -0.04 0.00 0.00 0.00 0.00 19.45 14.75 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 -6.34 3.29 0.18 0.00 0.52 -1.26 -0.27 118.95 115.06 3iwp s ARG 226 Ca 0.59 -0.63 0.03 0.00 -0.52 0.00 0.00 55.73 55.20 3iwp s ARG 226 Cb -0.27 -2.90 -0.05 0.00 0.52 0.00 0.00 34.95 32.26 3iwp s ARG 226 CO 0.73 0.54 -0.03 -1.54 0.02 0.00 0.00 175.30 175.01 3iwp s SER 227 N -2.99 1.52 -0.15 0.23 1.04 -0.85 -4.84 113.70 107.67 3iwp s SER 227 Ca 0.33 -1.13 -0.03 0.00 0.48 0.00 0.00 55.95 55.60 3iwp s SER 227 Cb -0.11 0.05 -0.03 0.00 0.10 0.00 0.00 66.02 66.04 3iwp s SER 227 CO 0.27 -0.49 -0.05 0.28 0.98 0.00 0.00 173.24 174.23 3iwp s THR 228 N -3.51 3.79 0.15 2.02 -1.32 -1.26 -1.62 115.64 113.89 3iwp s THR 228 Ca 0.23 -0.40 0.09 0.00 -1.21 0.00 0.00 61.69 60.39 3iwp s THR 228 Cb 0.05 -2.65 -0.04 0.00 -1.51 0.00 0.00 72.50 68.35 3iwp s THR 228 CO 0.04 0.50 -0.12 -0.13 -2.21 0.00 0.00 174.62 172.70 3iwp s ARG 229 N 0.29 1.99 0.31 7.08 0.52 0.66 -4.93 118.95 124.88 3iwp s ARG 229 Ca -0.04 -1.20 -0.28 0.00 -0.52 0.00 0.00 55.73 53.69 3iwp s ARG 229 Cb -0.14 -2.17 -0.09 0.00 0.52 0.00 0.00 34.95 33.06 3iwp s ARG 229 CO 0.03 0.46 1.07 0.34 0.02 0.00 0.00 175.30 177.22 3iwp s ASP 230 N -2.53 7.15 0.79 0.23 3.68 -1.26 -0.69 116.67 124.03 3iwp s ASP 230 Ca 0.22 2.16 -0.12 0.00 2.13 0.00 0.00 52.55 56.94 3iwp s ASP 230 Cb -0.10 -2.61 0.08 0.00 -1.45 0.00 0.00 42.92 38.84 3iwp s ASP 230 CO 0.14 -0.22 1.16 -0.55 0.13 0.00 0.00 175.17 175.82 3iwp s SER 231 N -1.13 3.90 0.00 -0.34 0.15 -0.16 -4.84 113.70 111.28 3iwp s SER 231 Ca 0.48 2.17 0.31 0.00 0.70 0.00 0.00 55.95 59.61 3iwp s SER 231 Cb -0.28 -2.57 1.69 0.00 -1.71 0.00 0.00 66.02 63.16 3iwp s SER 231 CO 0.36 -2.45 2.11 0.61 1.20 0.00 0.00 173.24 175.07 3iwp n GLY 232 N -0.05 -0.85 3.68 9.45 0.00 -1.26 -4.88 105.19 111.28 3iwp n GLY 232 Ca 0.12 -0.24 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.08 4.15 -0.18 1.61 -1.94 -1.26 -4.90 119.30 114.71 3iwp s MET 233 Ca 0.44 2.54 -0.11 0.00 -1.71 0.00 0.00 55.69 56.84 3iwp s MET 233 Cb 0.22 -3.72 -0.22 0.00 2.01 0.00 0.00 34.83 33.12 3iwp s MET 233 CO 0.38 -0.85 0.19 1.63 -0.01 0.00 0.00 175.02 176.36 3iwp n LYS 234 N 6.08 0.67 -2.97 2.03 5.02 -1.26 -4.79 118.16 122.94 3iwp n LYS 234 Ca 0.18 0.35 -0.41 0.00 -2.02 0.00 0.00 58.31 56.41 3iwp n LYS 234 Cb 0.39 -1.68 -0.04 0.00 -0.02 0.00 0.00 35.03 33.68 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 -2.49 3.49 0.01 2.13 5.36 -1.26 -5.06 117.98 120.17 3iwp s PHE 235 Ca -0.27 1.24 0.06 0.00 -0.96 0.00 0.00 56.93 57.00 3iwp s PHE 235 Cb 0.07 -2.91 -0.02 0.00 -0.34 0.00 0.00 43.02 39.83 3iwp s PHE 235 CO 0.67 -0.08 -0.19 1.03 -1.46 0.00 0.00 175.22 175.19 3iwp s ARG 236 N 1.48 1.39 -0.31 10.12 0.52 -1.26 -5.12 118.95 125.77 3iwp s ARG 236 Ca 0.38 -0.77 0.03 0.00 -0.52 0.00 0.00 55.73 54.84 3iwp s ARG 236 Cb -0.17 -1.41 0.09 0.00 0.52 0.00 0.00 34.95 33.98 3iwp s ARG 236 CO 0.15 0.37 0.02 1.21 0.02 0.00 0.00 175.30 177.08 3iwp s ASN 237 N -0.79 4.53 0.46 0.23 3.84 -1.26 -4.99 114.94 116.96 3iwp s ASN 237 Ca 0.07 -1.88 0.25 0.00 0.21 0.00 0.00 52.86 51.51 3iwp s ASN 237 Cb -0.08 -1.47 0.97 0.00 -0.55 0.00 0.00 41.25 40.12 3iwp s ASN 237 CO 0.00 -0.34 1.84 0.77 -2.79 0.00 0.00 177.10 176.59 3iwp h SER 238 N 7.73 0.00 0.72 -4.21 4.64 -2.05 -3.16 113.55 117.22 3iwp h SER 238 Ca -0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 3iwp h SER 238 Cb 1.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 3iwp h SER 238 CO 0.49 0.19 0.00 -1.54 -0.87 0.00 0.00 176.83 175.10 3iwp n SER 239 N -3.34 0.55 -4.83 4.97 3.41 -1.26 -4.75 113.62 108.37 3iwp n SER 239 Ca 0.00 0.63 -0.37 0.00 -0.26 0.00 0.00 58.87 58.88 3iwp n SER 239 Cb 0.41 -0.75 -0.07 0.00 -0.26 0.00 0.00 64.21 63.55 3iwp n SER 239 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3iwp s VAL 240 N -3.25 5.40 -0.11 -3.33 1.01 -1.20 -5.08 120.40 113.85 3iwp s VAL 240 Ca 0.05 0.33 0.02 0.00 0.00 0.00 0.00 61.98 62.37 3iwp s VAL 240 Cb 0.09 -3.48 0.02 0.00 0.00 0.00 0.00 36.38 33.01 3iwp s VAL 240 CO 0.38 0.55 -0.15 0.00 0.00 0.00 0.00 175.10 175.88 3iwp s ALA 241 N -0.58 1.65 0.07 5.51 0.00 -1.26 -4.91 121.76 122.24 3iwp s ALA 241 Ca 0.15 -0.71 -0.15 0.00 0.00 0.00 0.00 51.96 51.25 3iwp s ALA 241 Cb -0.13 -0.83 -0.15 0.00 0.00 0.00 0.00 23.12 22.02 3iwp s ALA 241 CO 0.04 -0.09 1.29 0.52 0.00 0.00 0.00 175.76 177.52 3iwp h MET 242 N 7.45 0.65 -4.60 0.00 2.86 -1.98 -3.48 114.93 115.84 3iwp h MET 242 Ca -0.31 -0.49 -0.28 0.00 -2.06 0.00 0.00 59.70 56.55 3iwp h MET 242 Cb 1.17 0.09 -0.14 0.00 0.06 0.00 0.00 31.60 32.78 3iwp h MET 242 CO 0.49 1.11 -0.55 0.20 1.06 0.00 0.00 176.91 179.22 3iwp s GLY 243 N -3.94 1.60 0.00 8.32 0.00 -1.26 -5.08 107.32 106.95 3iwp s GLY 243 Ca -0.12 -1.74 0.00 0.00 0.00 0.00 0.00 44.72 42.87 3iwp s GLY 243 CO 0.85 -1.36 0.00 0.00 0.00 0.00 0.00 173.10 172.59 3iwp n ALA 244 N -0.36 0.00 -3.63 3.20 0.00 -1.26 -4.18 120.51 114.28 3iwp n ALA 244 Ca 0.03 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.19 3iwp n ALA 244 Cb 0.65 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.98 3iwp n ALA 244 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3iwp s SER 245 N -4.00 3.10 0.00 0.00 1.04 -1.26 -4.87 113.70 107.72 3iwp s SER 245 Ca 0.00 -3.17 0.00 0.00 0.48 0.00 0.00 55.95 53.26 3iwp s SER 245 Cb 0.00 -0.96 0.00 0.00 0.10 0.00 0.00 66.02 65.16 3iwp s SER 245 CO 0.00 -0.17 0.00 0.18 0.98 0.00 0.00 173.24 174.23 3iwp n LEU 246 N 2.80 0.30 -2.04 2.42 4.77 -1.26 -4.87 117.00 119.12 3iwp n LEU 246 Ca 0.21 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 56.16 3iwp n LEU 246 Cb 0.40 -0.84 -0.04 0.00 -2.33 0.00 0.00 43.42 40.61 3iwp n LEU 246 CO 0.18 -0.24 0.77 -1.54 -1.33 0.00 0.00 177.39 175.23 3iwp n SER 247 N -0.18 2.47 -3.19 -1.43 3.41 -1.26 -4.90 113.62 108.53 3iwp n SER 247 Ca 0.00 -1.82 -0.29 0.00 -0.26 0.00 0.00 58.87 56.50 3iwp n SER 247 Cb 0.09 -0.60 0.03 0.00 -0.26 0.00 0.00 64.21 63.47 3iwp n SER 247 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3iwp n SER 249 N 2.80 0.00 0.00 0.00 2.88 -1.26 -5.09 113.62 112.95 3iwp n SER 249 Ca -0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.52 3iwp n SER 249 Cb 0.46 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.92 3iwp n SER 249 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 3iwp n GLU 250 N -1.20 0.57 0.00 -1.46 4.07 -1.26 -4.75 120.64 116.62 3iwp n GLU 250 Ca 0.00 0.00 0.09 0.00 -0.06 0.00 0.00 57.16 57.19 3iwp n GLU 250 Cb 0.00 -0.05 0.07 0.00 -0.06 0.00 0.00 31.44 31.40 3iwp n GLU 250 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 3iwp n TYR 251 N -0.01 0.00 -1.53 4.31 4.02 -1.26 -5.00 117.16 117.69 3iwp n TYR 251 Ca 0.00 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.57 3iwp n TYR 251 Cb 0.00 0.00 0.06 0.00 -0.02 0.00 0.00 39.34 39.38 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 -1.50 4.99 -0.09 7.72 1.04 -1.26 -0.98 113.70 123.61 3iwp s SER 252 Ca 0.20 1.81 -0.06 0.00 0.48 0.00 0.00 55.95 58.37 3iwp s SER 252 Cb 0.14 -2.52 0.03 0.00 0.10 0.00 0.00 66.02 63.78 3iwp s SER 252 CO 0.24 -1.71 0.23 -1.48 0.98 0.00 0.00 173.24 171.50 3iwp s LEU 253 N -5.45 0.77 -0.27 2.42 2.34 0.13 -4.84 118.68 113.78 3iwp s LEU 253 Ca 0.62 0.48 -0.11 0.00 0.06 0.00 0.00 54.13 55.17 3iwp s LEU 253 Cb -0.17 0.73 -0.05 0.00 -0.56 0.00 0.00 46.19 46.14 3iwp s LEU 253 CO 0.51 -0.12 0.20 -0.54 -1.06 0.00 0.00 176.35 175.34 3iwp s LYS 254 N 0.73 3.97 -0.02 1.48 1.02 -1.26 -0.24 119.74 125.41 3iwp s LYS 254 Ca -0.05 -0.28 0.04 0.00 0.02 0.00 0.00 55.97 55.70 3iwp s LYS 254 Cb -0.06 -3.65 -0.00 0.00 -0.52 0.00 0.00 37.83 33.60 3iwp s LYS 254 CO -0.04 -0.16 -0.13 0.08 -0.92 0.00 0.00 175.35 174.17 3iwp s VAL 255 N 1.71 1.07 0.24 3.17 1.01 -0.64 -4.96 120.40 122.01 3iwp s VAL 255 Ca 0.08 -0.54 -0.30 0.00 0.00 0.00 0.00 61.98 61.22 3iwp s VAL 255 Cb -0.16 -0.92 -0.09 0.00 0.00 0.00 0.00 36.38 35.21 3iwp s VAL 255 CO 0.10 0.31 1.31 0.42 0.00 0.00 0.00 175.10 177.24 3iwp s THR 256 N -0.06 3.04 -0.31 3.92 -4.23 -1.26 -2.00 115.64 114.74 3iwp s THR 256 Ca 0.00 0.92 -0.11 0.00 -1.18 0.00 0.00 61.69 61.32 3iwp s THR 256 Cb -0.08 -3.59 -0.02 0.00 1.34 0.00 0.00 72.50 70.15 3iwp s THR 256 CO 0.00 0.17 0.19 -0.62 -0.54 0.00 0.00 174.62 173.82 3iwp s ASP 257 N 0.03 5.83 0.22 3.99 -1.08 0.63 -4.74 116.67 121.55 3iwp s ASP 257 Ca 0.54 -0.36 -0.12 0.00 -0.52 0.00 0.00 52.55 52.09 3iwp s ASP 257 Cb -0.38 -2.08 0.29 0.00 -1.46 0.00 0.00 42.92 39.30 3iwp s ASP 257 CO 0.43 -0.18 1.63 0.58 0.52 0.00 0.00 175.17 178.15 3iwp h VAL 258 N 5.53 0.38 -0.12 1.11 2.07 -1.87 -1.38 116.25 121.96 3iwp h VAL 258 Ca -0.33 -0.01 -0.19 0.00 0.82 0.00 0.00 66.70 66.99 3iwp h VAL 258 Cb 1.16 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 3iwp h VAL 258 CO 0.61 0.01 -0.72 0.00 0.02 0.00 0.00 177.57 177.48 3iwp h THR 259 N 0.04 1.34 -0.95 2.57 1.03 -1.94 -0.82 112.91 114.18 3iwp h THR 259 Ca 0.33 -2.04 0.08 0.00 -0.01 0.00 0.00 66.41 64.77 3iwp h THR 259 Cb 0.53 2.02 -0.07 0.00 -1.07 0.00 0.00 68.15 69.56 3iwp h THR 259 CO -0.64 0.63 0.61 0.11 -0.01 0.00 0.00 175.52 176.22 3iwp h LYS 260 N 0.39 1.02 -0.15 0.00 1.57 -1.71 -0.07 116.57 117.62 3iwp h LYS 260 Ca -0.03 -0.06 -0.22 0.00 -1.87 0.00 0.00 60.65 58.46 3iwp h LYS 260 Cb 1.31 -0.23 0.01 0.00 0.08 0.00 0.00 32.23 33.40 3iwp h LYS 260 CO 0.13 0.67 -0.78 0.28 -0.57 0.00 0.00 179.45 179.18 3iwp h VAL 261 N 1.05 1.28 -0.65 0.50 2.07 -1.11 -2.29 116.25 117.10 3iwp h VAL 261 Ca 0.42 -1.98 -0.01 0.00 0.82 0.00 0.00 66.70 65.95 3iwp h VAL 261 Cb 0.26 1.98 -0.03 0.00 -1.52 0.00 0.00 31.29 31.99 3iwp h VAL 261 CO -0.18 0.63 0.36 -0.09 0.02 0.00 0.00 177.57 178.31 3iwp h ARG 262 N 0.54 0.90 -0.26 1.57 2.43 -0.71 -1.07 114.38 117.77 3iwp h ARG 262 Ca -0.05 -0.10 -0.16 0.00 -0.81 0.00 0.00 59.98 58.86 3iwp h ARG 262 Cb 1.41 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.78 3iwp h ARG 262 CO 0.16 0.67 -0.48 1.79 -1.51 0.00 0.00 179.97 180.60 3iwp h THR 263 N 0.88 1.29 -0.93 0.20 1.35 -0.98 -1.12 112.91 113.60 3iwp h THR 263 Ca 0.23 -1.68 0.05 0.00 -0.55 0.00 0.00 66.41 64.46 3iwp h THR 263 Cb 0.03 1.60 -0.06 0.00 -1.73 0.00 0.00 68.15 67.99 3iwp h THR 263 CO -0.04 0.54 0.61 -0.07 -0.25 0.00 0.00 175.52 176.31 3iwp h LEU 264 N 0.56 0.96 -0.19 3.87 3.38 -1.20 -0.53 115.31 122.17 3iwp h LEU 264 Ca 0.03 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.90 3iwp h LEU 264 Cb 1.04 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.58 3iwp h LEU 264 CO 0.10 0.63 -0.28 -1.13 0.09 0.00 0.00 178.44 177.85 3iwp h ASN 265 N 1.10 0.58 -0.86 -0.43 -0.73 -0.75 -1.13 115.58 113.36 3iwp h ASN 265 Ca 0.39 -0.52 0.04 0.00 1.87 0.00 0.00 56.30 58.08 3iwp h ASN 265 Cb 0.13 -0.16 -0.06 0.00 0.27 0.00 0.00 38.32 38.50 3iwp h ASN 265 CO -0.14 0.98 0.54 0.00 -0.37 0.00 0.00 177.43 178.45 3iwp h ALA 266 N 0.61 1.15 -0.20 1.57 0.00 -0.87 0.13 119.26 121.65 3iwp h ALA 266 Ca 0.02 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3iwp h ALA 266 Cb 0.86 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3iwp h ALA 266 CO 0.07 0.35 0.11 0.82 0.00 0.00 0.00 179.25 180.59 3iwp h ILE 267 N 1.03 1.10 0.00 0.00 2.04 -0.93 0.13 117.51 120.88 3iwp h ILE 267 Ca 0.35 -0.26 0.03 0.00 1.00 0.00 0.00 64.86 65.99 3iwp h ILE 267 Cb 0.07 0.91 -0.04 0.00 -0.74 0.00 0.00 36.82 37.02 3iwp h ILE 267 CO -0.14 0.09 -0.26 0.00 0.00 0.00 0.00 178.15 177.85 3iwp h ALA 268 N 1.01 -0.35 -0.44 1.87 0.00 -0.58 -2.39 119.26 118.37 3iwp h ALA 268 Ca 0.07 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.06 3iwp h ALA 268 Cb 0.05 0.45 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 3iwp h ALA 268 CO -0.01 -0.76 0.30 0.87 0.00 0.00 0.00 179.25 179.65 3iwp h LYS 269 N -0.40 0.23 -0.12 0.00 1.57 -0.82 -2.50 116.57 114.54 3iwp h LYS 269 Ca 0.06 -0.01 -0.13 0.00 -1.87 0.00 0.00 60.65 58.70 3iwp h LYS 269 Cb 0.48 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 3iwp h LYS 269 CO -0.23 0.15 -0.50 -0.97 -0.57 0.00 0.00 179.45 177.34 3iwp h ASN 270 N 0.23 0.33 0.10 0.86 -1.24 -0.47 -3.36 115.58 112.04 3iwp h ASN 270 Ca 0.20 -0.16 -0.00 0.00 0.71 0.00 0.00 56.30 57.05 3iwp h ASN 270 Cb 0.50 -0.09 -0.00 0.00 0.73 0.00 0.00 38.32 39.45 3iwp h ASN 270 CO -0.04 0.78 -0.10 0.40 -1.29 0.00 0.00 177.43 177.18 3iwp h ILE 271 N 0.24 0.00 0.00 2.57 1.08 -1.13 -3.51 117.51 116.76 3iwp h ILE 271 Ca 0.01 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.48 3iwp h ILE 271 Cb 0.97 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.72 3iwp h ILE 271 CO 0.08 0.00 0.00 0.18 -0.69 0.00 0.00 178.15 177.72