#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s3w n GLY 2 N 0.00 -0.16 3.77 7.55 0.00 1.96 -5.00 105.19 113.31 1s3w n GLY 2 Ca 0.00 -0.92 -0.38 0.00 0.00 0.00 0.00 46.02 44.72 1s3w n GLY 2 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1s3w s SER 3 N -1.24 6.16 -0.25 1.61 0.01 -1.24 -4.84 113.70 113.92 1s3w s SER 3 Ca 0.00 2.42 -0.07 0.00 1.31 0.00 0.00 55.95 59.62 1s3w s SER 3 Cb 0.00 -2.61 -0.02 0.00 0.21 0.00 0.00 66.02 63.60 1s3w s SER 3 CO 0.00 -0.93 0.05 -0.22 0.41 0.00 0.00 173.24 172.55 1s3w s LEU 4 N -2.87 3.39 0.08 2.44 2.96 -1.26 -1.74 118.68 121.68 1s3w s LEU 4 Ca 0.62 -0.31 0.03 0.00 -0.22 0.00 0.00 54.13 54.26 1s3w s LEU 4 Cb -0.32 -1.88 -0.03 0.00 0.50 0.00 0.00 46.19 44.45 1s3w s LEU 4 CO 0.39 -0.05 -0.10 0.20 -1.32 0.00 0.00 176.35 175.47 1s3w s ASN 5 N 1.58 1.36 0.07 3.68 0.01 0.02 -2.90 114.94 118.74 1s3w s ASN 5 Ca 0.06 -0.75 0.08 0.00 -0.71 0.00 0.00 52.86 51.53 1s3w s ASN 5 Cb -0.15 0.01 -0.03 0.00 0.41 0.00 0.00 41.25 41.49 1s3w s ASN 5 CO 0.02 -0.24 -0.20 0.00 -1.51 0.00 0.00 177.10 175.17 1s3w s ILE 7 N -0.97 0.66 -0.02 0.00 2.07 -0.53 -0.87 121.20 121.54 1s3w s ILE 7 Ca 0.15 -0.31 -0.23 0.00 -1.41 0.00 0.00 60.65 58.85 1s3w s ILE 7 Cb -0.10 -0.59 0.05 0.00 0.13 0.00 0.00 42.46 41.94 1s3w s ILE 7 CO 0.06 0.21 0.51 0.54 -1.91 0.00 0.00 174.94 174.35 1s3w s VAL 8 N 0.13 0.03 -0.22 4.00 0.11 -0.85 -4.53 120.40 119.07 1s3w s VAL 8 Ca -0.02 -0.22 -0.04 0.00 -2.93 0.00 0.00 61.98 58.77 1s3w s VAL 8 Cb -0.07 -0.85 -0.01 0.00 -1.53 0.00 0.00 36.38 33.93 1s3w s VAL 8 CO 0.00 -0.12 -0.05 0.00 -3.33 0.00 0.00 175.10 171.60 1s3w s ALA 9 N -1.41 2.79 0.04 1.54 0.00 -1.26 -1.08 121.76 122.37 1s3w s ALA 9 Ca -0.11 -1.16 0.08 0.00 0.00 0.00 0.00 51.96 50.76 1s3w s ALA 9 Cb -0.02 -1.67 -0.03 0.00 0.00 0.00 0.00 23.12 21.40 1s3w s ALA 9 CO 0.06 -0.41 -0.23 0.54 0.00 0.00 0.00 175.76 175.72 1s3w s VAL 10 N 1.44 1.84 0.75 0.00 0.11 -0.08 -4.67 120.40 119.80 1s3w s VAL 10 Ca 0.05 -1.24 -0.06 0.00 -2.93 0.00 0.00 61.98 57.80 1s3w s VAL 10 Cb -0.14 -1.58 0.11 0.00 -1.53 0.00 0.00 36.38 33.23 1s3w s VAL 10 CO -0.04 0.29 1.05 -0.94 -3.33 0.00 0.00 175.10 172.14 1s3w s SER 11 N -1.13 4.36 0.30 3.54 1.04 -0.54 0.73 113.70 122.01 1s3w s SER 11 Ca 0.09 0.12 -0.02 0.00 0.48 0.00 0.00 55.95 56.63 1s3w s SER 11 Cb -0.09 -0.59 0.44 0.00 0.10 0.00 0.00 66.02 65.88 1s3w s SER 11 CO 0.02 -1.87 1.97 -0.61 0.98 0.00 0.00 173.24 173.72 1s3w h GLN 12 N -0.73 1.09 -0.41 4.02 4.15 -0.51 -1.81 115.11 120.90 1s3w h GLN 12 Ca -0.42 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 58.94 1s3w h GLN 12 Cb 1.28 -0.25 0.00 0.00 0.21 0.00 0.00 27.48 28.73 1s3w h GLN 12 CO 0.49 0.72 0.00 0.27 -1.93 0.00 0.00 178.83 178.38 1s3w n ASN 13 N -4.41 1.41 -0.70 -0.69 6.94 -1.26 -4.91 115.26 111.64 1s3w n ASN 13 Ca 0.09 -2.07 -0.09 0.00 -0.02 0.00 0.00 54.58 52.49 1s3w n ASN 13 Cb 0.03 -0.26 -0.04 0.00 -2.36 0.00 0.00 39.78 37.15 1s3w n ASN 13 CO 0.00 0.00 0.00 0.23 -1.03 0.00 0.00 177.26 176.46 1s3w n MET 14 N 0.10 -0.75 -2.41 -3.83 2.81 -0.68 -4.99 117.12 107.37 1s3w n MET 14 Ca 0.07 0.79 -0.41 0.00 -1.81 0.00 0.00 57.70 56.34 1s3w n MET 14 Cb 0.27 -4.70 -0.04 0.00 -0.71 0.00 0.00 33.22 28.04 1s3w n MET 14 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1s3w s GLY 15 N -2.78 2.95 0.00 3.03 0.00 -1.26 -1.29 107.32 107.96 1s3w s GLY 15 Ca 0.00 0.95 0.00 0.00 0.00 0.00 0.00 44.72 45.67 1s3w s GLY 15 CO 0.00 1.65 0.00 0.29 0.00 0.00 0.00 173.10 175.04 1s3w n ILE 16 N 1.55 0.00 -3.61 0.90 -5.35 -0.01 -1.46 119.36 111.37 1s3w n ILE 16 Ca 0.01 -0.09 -0.10 0.00 -0.27 0.00 0.00 62.75 62.29 1s3w n ILE 16 Cb 0.44 0.55 -0.03 0.00 -1.74 0.00 0.00 39.64 38.87 1s3w n ILE 16 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1s3w s GLY 17 N -1.58 -0.33 -0.13 3.28 0.00 -1.17 -4.37 107.32 103.02 1s3w s GLY 17 Ca 0.00 0.08 -0.05 0.00 0.00 0.00 0.00 44.72 44.75 1s3w s GLY 17 CO 0.00 -0.08 0.27 1.25 0.00 0.00 0.00 173.10 174.54 1s3w s LYS 18 N -3.82 0.18 -1.55 2.90 2.36 0.12 -1.66 119.74 118.26 1s3w s LYS 18 Ca 0.05 0.71 -0.04 0.00 -2.55 0.00 0.00 55.97 54.14 1s3w s LYS 18 Cb -0.01 -0.04 0.04 0.00 -1.05 0.00 0.00 37.83 36.77 1s3w s LYS 18 CO -0.07 -0.25 0.28 0.09 1.55 0.00 0.00 175.35 176.95 1s3w n ASN 19 N 5.01 -0.16 -0.26 1.43 3.02 -1.26 -0.97 115.26 122.06 1s3w n ASN 19 Ca -0.12 -1.16 -0.03 0.00 -0.03 0.00 0.00 54.58 53.24 1s3w n ASN 19 Cb 0.51 -2.20 -0.01 0.00 -0.61 0.00 0.00 39.78 37.47 1s3w n ASN 19 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1s3w n GLY 20 N -2.12 0.64 3.16 7.41 0.00 -1.26 -5.00 105.19 108.03 1s3w n GLY 20 Ca -0.24 -0.55 -0.17 0.00 0.00 0.00 0.00 46.02 45.06 1s3w n GLY 20 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1s3w n ASP 21 N 0.69 -0.95 -4.81 1.61 2.03 -0.15 -4.54 116.55 110.44 1s3w n ASP 21 Ca -0.03 -2.99 -0.35 0.00 0.52 0.00 0.00 54.79 51.94 1s3w n ASP 21 Cb 0.15 1.97 -0.07 0.00 -0.72 0.00 0.00 41.12 42.46 1s3w n ASP 21 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1s3w s LEU 22 N 0.00 4.14 0.55 -2.67 1.02 -1.26 0.12 118.68 120.57 1s3w s LEU 22 Ca 0.34 1.68 0.30 0.00 0.02 0.00 0.00 54.13 56.47 1s3w s LEU 22 Cb 0.01 -4.21 1.59 0.00 0.02 0.00 0.00 46.19 43.59 1s3w s LEU 22 CO 0.24 -0.20 2.12 -0.65 0.02 0.00 0.00 176.35 177.88 1s3w h PRO 23 N 2.55 0.00 -6.08 1.29 0.11 -1.82 -3.42 132.00 124.63 1s3w h PRO 23 Ca -0.48 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.10 1s3w h PRO 23 Cb 1.18 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.24 1s3w h PRO 23 CO 0.63 0.08 -0.46 1.67 -0.21 0.00 0.00 178.00 179.71 1s3w s TRP 24 N -4.19 2.71 0.63 0.65 -2.14 -1.26 -4.82 118.94 110.53 1s3w s TRP 24 Ca -0.03 -0.46 -0.18 0.00 2.66 0.00 0.00 56.10 58.10 1s3w s TRP 24 Cb 0.13 -1.91 -0.02 0.00 -3.10 0.00 0.00 33.47 28.57 1s3w s TRP 24 CO 0.56 0.13 1.23 -1.25 -2.66 0.00 0.00 176.95 174.96 1s3w s PRO 25 N -3.97 2.71 0.24 3.25 0.04 -1.26 -4.88 135.00 131.13 1s3w s PRO 25 Ca 0.42 1.87 -0.31 0.00 0.04 0.00 0.00 61.00 63.02 1s3w s PRO 25 Cb -0.02 -1.89 -0.11 0.00 0.04 0.00 0.00 34.50 32.52 1s3w s PRO 25 CO 0.25 -1.42 1.60 -2.14 0.04 0.00 0.00 177.00 175.33 1s3w s PRO 26 N -3.46 4.16 -0.37 0.56 0.02 -1.26 -4.99 135.00 129.66 1s3w s PRO 26 Ca 0.78 2.51 -0.08 0.00 0.02 0.00 0.00 61.00 64.22 1s3w s PRO 26 Cb -0.32 -3.07 0.04 0.00 0.02 0.00 0.00 34.50 31.17 1s3w s PRO 26 CO 0.37 -0.63 0.17 -0.51 -0.33 0.00 0.00 177.00 176.07 1s3w s LEU 27 N 0.26 4.64 0.33 -5.54 1.43 -1.26 -5.00 118.68 113.54 1s3w s LEU 27 Ca 0.67 -1.18 0.06 0.00 -1.03 0.00 0.00 54.13 52.65 1s3w s LEU 27 Cb -0.47 -1.94 0.60 0.00 0.03 0.00 0.00 46.19 44.41 1s3w s LEU 27 CO 0.40 -0.39 1.83 0.03 0.23 0.00 0.00 176.35 178.45 1s3w h ARG 28 N 8.33 0.38 -0.01 1.70 3.08 -1.98 -2.35 114.38 123.52 1s3w h ARG 28 Ca -0.24 -0.11 -0.19 0.00 0.07 0.00 0.00 59.98 59.52 1s3w h ARG 28 Cb 1.09 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.09 1s3w h ARG 28 CO 0.66 0.53 -0.82 -0.91 -1.07 0.00 0.00 179.97 178.36 1s3w h ASN 29 N 0.35 0.25 -0.01 7.04 2.35 -1.97 0.18 115.58 123.77 1s3w h ASN 29 Ca 0.07 -0.19 -0.00 0.00 -0.55 0.00 0.00 56.30 55.62 1s3w h ASN 29 Cb 0.49 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.78 1s3w h ASN 29 CO 0.03 0.96 0.00 -0.08 -1.65 0.00 0.00 177.43 176.69 1s3w h GLU 30 N 0.12 0.02 -0.24 0.81 4.22 -1.97 -1.38 114.58 116.15 1s3w h GLU 30 Ca -0.03 -0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.39 1s3w h GLU 30 Cb 1.42 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.66 1s3w h GLU 30 CO 0.12 0.20 0.12 0.74 -2.18 0.00 0.00 179.01 178.01 1s3w h PHE 31 N -0.17 0.35 -0.96 0.92 -1.00 -1.35 -1.91 116.94 112.82 1s3w h PHE 31 Ca 0.00 -0.02 0.15 0.00 2.81 0.00 0.00 57.97 60.92 1s3w h PHE 31 Cb 0.19 -0.11 -0.09 0.00 3.61 0.00 0.00 35.95 39.55 1s3w h PHE 31 CO -0.01 0.33 0.57 0.00 -1.61 0.00 0.00 178.31 177.59 1s3w h ARG 32 N 0.26 0.79 0.08 1.51 3.08 -0.46 -1.69 114.38 117.94 1s3w h ARG 32 Ca 0.08 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 1s3w h ARG 32 Cb 0.12 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 29.99 1s3w h ARG 32 CO -0.01 0.52 -0.04 -0.92 -1.07 0.00 0.00 179.97 178.45 1s3w h TYR 33 N 0.81 -0.09 -0.75 3.04 5.03 -0.94 -2.50 116.97 121.57 1s3w h TYR 33 Ca 0.51 -0.00 0.13 0.00 2.58 0.00 0.00 58.73 61.95 1s3w h TYR 33 Cb 0.67 0.03 -0.09 0.00 1.55 0.00 0.00 36.73 38.89 1s3w h TYR 33 CO -0.03 0.15 0.34 0.35 -1.32 0.00 0.00 178.16 177.65 1s3w h PHE 34 N -0.34 0.59 -0.08 -3.82 3.57 -1.13 0.28 116.94 116.01 1s3w h PHE 34 Ca -0.01 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1s3w h PHE 34 Cb 0.29 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 38.88 1s3w h PHE 34 CO 0.00 0.13 0.05 1.96 -2.23 0.00 0.00 178.31 178.23 1s3w h GLN 35 N 0.52 0.11 -0.13 1.11 1.08 -1.22 -2.40 115.11 114.18 1s3w h GLN 35 Ca 0.40 -0.01 -0.02 0.00 -1.45 0.00 0.00 58.65 57.57 1s3w h GLN 35 Cb 0.54 -0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 27.94 1s3w h GLN 35 CO -0.35 0.10 0.00 -0.09 -0.95 0.00 0.00 178.83 177.54 1s3w h ARG 36 N 0.09 0.23 0.27 1.46 2.43 -0.99 -0.54 114.38 117.33 1s3w h ARG 36 Ca 0.03 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 1s3w h ARG 36 Cb 0.02 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1s3w h ARG 36 CO -0.01 0.46 -0.13 0.52 -1.51 0.00 0.00 179.97 179.30 1s3w h MET 37 N -0.03 -0.35 0.00 0.20 2.86 -0.40 -2.01 114.93 115.20 1s3w h MET 37 Ca 0.04 0.02 -0.10 0.00 -2.06 0.00 0.00 59.70 57.60 1s3w h MET 37 Cb 0.36 0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.08 1s3w h MET 37 CO 0.01 -0.23 -0.48 1.79 1.06 0.00 0.00 176.91 179.05 1s3w h THR 38 N -0.37 1.32 0.01 2.22 1.35 -1.48 -3.30 112.91 112.67 1s3w h THR 38 Ca -0.04 -1.68 -0.25 0.00 -0.55 0.00 0.00 66.41 63.89 1s3w h THR 38 Cb 0.28 1.91 -0.04 0.00 -1.73 0.00 0.00 68.15 68.57 1s3w h THR 38 CO 0.06 0.48 -1.37 0.74 -0.25 0.00 0.00 175.52 175.17 1s3w h THR 39 N 0.00 1.27 -3.07 6.82 2.02 -1.00 -3.44 112.91 115.51 1s3w h THR 39 Ca -0.00 -3.04 -0.55 0.00 0.77 0.00 0.00 66.41 63.58 1s3w h THR 39 Cb 0.87 2.64 -0.02 0.00 -1.74 0.00 0.00 68.15 69.89 1s3w h THR 39 CO 0.06 0.73 0.72 -0.89 0.37 0.00 0.00 175.52 176.52 1s3w s THR 40 N -2.65 4.26 -0.13 3.16 2.01 -0.76 -4.58 115.64 116.95 1s3w s THR 40 Ca -0.02 1.58 -0.07 0.00 0.31 0.00 0.00 61.69 63.49 1s3w s THR 40 Cb 0.09 -4.02 -0.04 0.00 0.01 0.00 0.00 72.50 68.54 1s3w s THR 40 CO 0.82 -0.02 0.13 -0.55 -0.69 0.00 0.00 174.62 174.32 1s3w s SER 41 N 1.53 6.29 0.00 3.53 0.15 -1.26 -4.94 113.70 118.99 1s3w s SER 41 Ca 0.56 0.41 0.23 0.00 0.70 0.00 0.00 55.95 57.85 1s3w s SER 41 Cb -0.24 -2.04 1.16 0.00 -1.71 0.00 0.00 66.02 63.19 1s3w s SER 41 CO 0.21 0.37 1.75 -1.54 1.20 0.00 0.00 173.24 175.24 1s3w n SER 42 N 2.22 0.00 -3.89 5.45 3.41 -1.26 -4.76 113.62 114.79 1s3w n SER 42 Ca -0.19 -0.04 -0.19 0.00 -0.26 0.00 0.00 58.87 58.19 1s3w n SER 42 Cb 0.54 -0.29 -0.16 0.00 -0.26 0.00 0.00 64.21 64.05 1s3w n SER 42 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1s3w s VAL 43 N -2.57 0.47 0.27 -3.33 0.11 -1.26 -5.15 120.40 108.93 1s3w s VAL 43 Ca 0.22 -0.11 -0.30 0.00 -2.93 0.00 0.00 61.98 58.86 1s3w s VAL 43 Cb 0.15 -0.49 -0.10 0.00 -1.53 0.00 0.00 36.38 34.42 1s3w s VAL 43 CO 0.35 0.20 1.38 -1.61 -3.33 0.00 0.00 175.10 172.09 1s3w s GLU 44 N 0.75 4.31 0.00 1.54 2.02 -1.26 -2.32 118.70 123.74 1s3w s GLU 44 Ca -0.09 2.25 0.00 0.00 0.02 0.00 0.00 54.97 57.14 1s3w s GLU 44 Cb -0.13 -3.11 0.00 0.00 0.10 0.00 0.00 34.13 31.00 1s3w s GLU 44 CO -0.00 -0.33 0.00 0.41 0.02 0.00 0.00 175.26 175.36 1s3w n GLY 45 N 1.80 1.36 3.82 -1.39 0.00 -1.26 -5.02 105.19 104.51 1s3w n GLY 45 Ca 0.05 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.85 1s3w n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s3w s LYS 46 N -0.01 2.76 0.12 1.61 1.02 -0.98 -4.91 119.74 119.35 1s3w s LYS 46 Ca 0.00 -1.22 0.06 0.00 0.02 0.00 0.00 55.97 54.82 1s3w s LYS 46 Cb 0.00 -2.48 -0.04 0.00 -0.52 0.00 0.00 37.83 34.80 1s3w s LYS 46 CO 0.00 0.23 -0.14 -1.14 -0.92 0.00 0.00 175.35 173.38 1s3w s GLN 47 N -3.91 1.00 0.29 1.68 0.74 0.55 -4.79 119.66 115.21 1s3w s GLN 47 Ca 0.37 -1.22 -0.14 0.00 0.05 0.00 0.00 55.36 54.42 1s3w s GLN 47 Cb -0.06 -0.88 -0.08 0.00 1.10 0.00 0.00 33.01 33.08 1s3w s GLN 47 CO 0.25 0.17 0.69 -0.80 -0.55 0.00 0.00 175.29 175.05 1s3w s ASN 48 N -2.41 6.78 -0.19 6.67 0.01 -1.26 -2.39 114.94 122.14 1s3w s ASN 48 Ca 0.08 1.21 -0.12 0.00 -0.71 0.00 0.00 52.86 53.33 1s3w s ASN 48 Cb -0.05 -2.34 -0.05 0.00 0.41 0.00 0.00 41.25 39.22 1s3w s ASN 48 CO 0.03 -0.14 0.21 -0.22 -1.51 0.00 0.00 177.10 175.47 1s3w s LEU 49 N -2.80 4.21 -0.17 0.60 2.96 0.82 -1.59 118.68 122.71 1s3w s LEU 49 Ca 0.51 0.34 -0.02 0.00 -0.22 0.00 0.00 54.13 54.74 1s3w s LEU 49 Cb -0.11 -2.22 -0.01 0.00 0.50 0.00 0.00 46.19 44.34 1s3w s LEU 49 CO 0.19 0.12 -0.09 0.68 -1.32 0.00 0.00 176.35 175.93 1s3w s VAL 50 N 0.52 3.22 -0.17 1.68 -7.23 0.21 -0.24 120.40 118.40 1s3w s VAL 50 Ca 0.12 -0.57 -0.02 0.00 -1.81 0.00 0.00 61.98 59.69 1s3w s VAL 50 Cb -0.12 -2.41 -0.02 0.00 0.56 0.00 0.00 36.38 34.39 1s3w s VAL 50 CO 0.01 0.48 -0.08 -0.63 -0.31 0.00 0.00 175.10 174.58 1s3w s ILE 51 N 0.86 3.37 0.03 -0.62 1.01 -0.67 -0.36 121.20 124.83 1s3w s ILE 51 Ca -0.02 -0.53 -0.04 0.00 0.00 0.00 0.00 60.65 60.06 1s3w s ILE 51 Cb -0.15 -2.47 -0.02 0.00 0.01 0.00 0.00 42.46 39.83 1s3w s ILE 51 CO 0.01 0.48 0.06 0.00 0.00 0.00 0.00 174.94 175.49 1s3w s MET 52 N 0.71 0.54 0.84 2.79 0.23 -0.55 -1.28 119.30 122.58 1s3w s MET 52 Ca -0.04 -0.77 -0.12 0.00 -1.03 0.00 0.00 55.69 53.73 1s3w s MET 52 Cb -0.15 0.21 0.11 0.00 -1.53 0.00 0.00 34.83 33.47 1s3w s MET 52 CO 0.02 -0.12 1.20 0.20 -2.03 0.00 0.00 175.02 174.29 1s3w s GLY 53 N -2.07 1.66 0.22 3.16 0.00 -0.55 -0.11 107.32 109.63 1s3w s GLY 53 Ca -0.06 -0.87 -0.06 0.00 0.00 0.00 0.00 44.72 43.73 1s3w s GLY 53 CO -0.04 -0.31 1.70 1.70 0.00 0.00 0.00 173.10 176.16 1s3w h LYS 54 N -1.17 0.98 -0.34 2.90 3.64 -1.88 -2.28 116.57 118.41 1s3w h LYS 54 Ca -0.45 -0.28 -0.12 0.00 -1.27 0.00 0.00 60.65 58.53 1s3w h LYS 54 Cb 1.30 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 33.00 1s3w h LYS 54 CO 0.56 0.94 -0.29 -0.22 -2.27 0.00 0.00 179.45 178.18 1s3w h LYS 55 N 0.91 0.73 -0.39 1.90 3.64 -1.93 -1.85 116.57 119.58 1s3w h LYS 55 Ca 0.17 -0.32 0.00 0.00 -1.27 0.00 0.00 60.65 59.23 1s3w h LYS 55 Cb 0.48 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.26 1s3w h LYS 55 CO 0.02 0.93 0.24 1.15 -2.27 0.00 0.00 179.45 179.52 1s3w h THR 56 N 0.62 1.11 -0.74 1.00 2.02 -1.83 -2.04 112.91 113.05 1s3w h THR 56 Ca 0.07 -0.24 0.07 0.00 0.77 0.00 0.00 66.41 67.09 1s3w h THR 56 Cb 0.80 0.58 -0.06 0.00 -1.74 0.00 0.00 68.15 67.73 1s3w h THR 56 CO 0.07 0.11 0.42 -0.25 0.37 0.00 0.00 175.52 176.24 1s3w h TRP 57 N 0.51 0.77 0.00 3.16 2.91 -1.00 -2.64 115.95 119.66 1s3w h TRP 57 Ca 0.14 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.19 1s3w h TRP 57 Cb -0.03 -0.24 0.00 0.00 -0.51 0.00 0.00 29.16 28.38 1s3w h TRP 57 CO -0.04 0.36 0.00 0.74 -1.03 0.00 0.00 178.44 178.46 1s3w h PHE 58 N 0.76 0.00 0.00 2.65 -1.00 -0.89 -3.05 116.94 115.41 1s3w h PHE 58 Ca 0.34 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.12 1s3w h PHE 58 Cb 0.23 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.79 1s3w h PHE 58 CO -0.07 0.00 -0.18 -1.13 -1.61 0.00 0.00 178.31 175.32 1s3w n SER 59 N -2.52 0.66 -4.72 2.17 3.41 -0.81 -4.79 113.62 107.01 1s3w n SER 59 Ca 0.04 0.41 -0.41 0.00 -0.26 0.00 0.00 58.87 58.65 1s3w n SER 59 Cb 0.40 -0.46 -0.04 0.00 -0.26 0.00 0.00 64.21 63.85 1s3w n SER 59 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1s3w s ILE 60 N -3.10 4.75 0.34 -1.33 1.01 -1.15 -4.90 121.20 116.83 1s3w s ILE 60 Ca 0.10 1.91 -0.28 0.00 0.00 0.00 0.00 60.65 62.38 1s3w s ILE 60 Cb 0.14 -4.25 -0.12 0.00 0.01 0.00 0.00 42.46 38.24 1s3w s ILE 60 CO 0.62 0.26 1.37 -2.65 0.00 0.00 0.00 174.94 174.54 1s3w n PRO 61 N 3.35 2.31 -0.34 2.79 -0.02 -1.26 -4.84 135.00 137.00 1s3w n PRO 61 Ca 0.02 0.81 0.08 0.00 -2.02 0.00 0.00 63.50 62.40 1s3w n PRO 61 Cb 0.50 -2.45 0.25 0.00 -0.02 0.00 0.00 33.50 31.78 1s3w n PRO 61 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1s3w h GLU 62 N 2.85 0.80 0.00 -0.52 3.07 -1.92 0.19 114.58 119.04 1s3w h GLU 62 Ca -0.47 -0.05 -0.00 0.00 -0.50 0.00 0.00 59.36 58.34 1s3w h GLU 62 Cb 1.27 -0.18 -0.00 0.00 -0.84 0.00 0.00 28.75 29.00 1s3w h GLU 62 CO 0.64 0.53 -0.01 -0.22 -1.40 0.00 0.00 179.01 178.55 1s3w h LYS 63 N 0.82 0.00 -0.48 2.33 3.11 -2.02 -2.44 116.57 117.89 1s3w h LYS 63 Ca 0.50 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.34 1s3w h LYS 63 Cb 0.63 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.86 1s3w h LYS 63 CO -0.32 0.01 0.00 0.09 -2.81 0.00 0.00 179.45 176.42 1s3w n ASN 64 N -4.46 2.58 -4.17 4.20 3.02 0.65 -4.91 115.26 112.17 1s3w n ASN 64 Ca -0.03 -2.04 -0.28 0.00 -0.03 0.00 0.00 54.58 52.20 1s3w n ASN 64 Cb 0.09 -0.33 -0.16 0.00 -0.61 0.00 0.00 39.78 38.77 1s3w n ASN 64 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1s3w s ARG 65 N -1.43 2.23 0.60 3.52 0.52 -0.92 -3.69 118.95 119.78 1s3w s ARG 65 Ca 0.31 -0.71 -0.12 0.00 -0.52 0.00 0.00 55.73 54.68 1s3w s ARG 65 Cb 0.17 -1.84 -0.05 0.00 0.52 0.00 0.00 34.95 33.75 1s3w s ARG 65 CO 0.20 0.23 1.02 -1.25 0.02 0.00 0.00 175.30 175.53 1s3w s PRO 66 N 0.14 3.65 -0.21 3.54 0.04 -1.26 -4.94 135.00 135.96 1s3w s PRO 66 Ca -0.08 0.82 -0.28 0.00 0.04 0.00 0.00 61.00 61.50 1s3w s PRO 66 Cb -0.14 -2.09 -0.05 0.00 0.04 0.00 0.00 34.50 32.26 1s3w s PRO 66 CO 0.04 -0.53 2.14 -0.51 0.04 0.00 0.00 177.00 178.18 1s3w s LEU 67 N -4.90 3.52 0.26 -3.56 1.43 -1.24 -4.87 118.68 109.32 1s3w s LEU 67 Ca 0.56 1.87 -0.30 0.00 -1.03 0.00 0.00 54.13 55.23 1s3w s LEU 67 Cb -0.11 -3.51 -0.10 0.00 0.03 0.00 0.00 46.19 42.49 1s3w s LEU 67 CO 0.48 -1.86 1.44 -0.75 0.23 0.00 0.00 176.35 175.89 1s3w s LYS 68 N 6.11 4.26 0.00 1.70 2.20 -1.26 -3.21 119.74 129.54 1s3w s LYS 68 Ca 0.97 2.32 0.00 0.00 -0.36 0.00 0.00 55.97 58.90 1s3w s LYS 68 Cb -0.32 -3.10 0.00 0.00 -1.51 0.00 0.00 37.83 32.90 1s3w s LYS 68 CO 0.35 -0.42 0.00 0.41 -0.36 0.00 0.00 175.35 175.33 1s3w n GLY 69 N 2.01 0.63 3.13 5.54 0.00 -1.26 -4.98 105.19 110.27 1s3w n GLY 69 Ca 0.06 -0.04 -0.15 0.00 0.00 0.00 0.00 46.02 45.89 1s3w n GLY 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1s3w s ARG 70 N -0.33 0.71 -0.16 1.61 0.52 -1.20 -4.46 118.95 115.65 1s3w s ARG 70 Ca 0.00 -0.95 -0.29 0.00 -0.52 0.00 0.00 55.73 53.97 1s3w s ARG 70 Cb 0.00 -0.51 -0.00 0.00 0.52 0.00 0.00 34.95 34.96 1s3w s ARG 70 CO 0.00 0.09 1.03 0.42 0.02 0.00 0.00 175.30 176.86 1s3w s ILE 71 N -1.73 4.72 -0.35 1.52 1.01 -0.62 -4.83 121.20 120.93 1s3w s ILE 71 Ca -0.03 2.03 -0.10 0.00 0.00 0.00 0.00 60.65 62.55 1s3w s ILE 71 Cb -0.07 -4.30 0.02 0.00 0.01 0.00 0.00 42.46 38.11 1s3w s ILE 71 CO 0.01 -0.08 0.17 0.20 0.00 0.00 0.00 174.94 175.24 1s3w s ASN 72 N 1.16 5.60 -0.13 3.58 0.02 -1.26 0.67 114.94 124.58 1s3w s ASN 72 Ca 0.47 -0.87 -0.01 0.00 -1.02 0.00 0.00 52.86 51.43 1s3w s ASN 72 Cb -0.17 -1.99 -0.02 0.00 0.02 0.00 0.00 41.25 39.09 1s3w s ASN 72 CO 0.13 -0.32 -0.09 -0.22 0.02 0.00 0.00 177.10 176.62 1s3w s LEU 73 N 1.55 2.94 -0.10 0.60 0.20 0.51 -1.51 118.68 122.86 1s3w s LEU 73 Ca 0.02 -0.23 -0.03 0.00 0.69 0.00 0.00 54.13 54.58 1s3w s LEU 73 Cb -0.18 -1.68 -0.03 0.00 -0.43 0.00 0.00 46.19 43.87 1s3w s LEU 73 CO 0.06 0.19 0.03 -0.69 -0.29 0.00 0.00 176.35 175.64 1s3w s VAL 74 N 0.24 4.51 -0.18 1.68 1.01 -0.31 -1.48 120.40 125.88 1s3w s VAL 74 Ca -0.06 -0.17 -0.08 0.00 0.00 0.00 0.00 61.98 61.67 1s3w s VAL 74 Cb -0.15 -2.92 -0.04 0.00 0.00 0.00 0.00 36.38 33.26 1s3w s VAL 74 CO 0.04 0.59 0.09 -0.76 0.00 0.00 0.00 175.10 175.07 1s3w s LEU 75 N -0.74 4.02 -0.28 3.92 1.43 0.84 -1.09 118.68 126.78 1s3w s LEU 75 Ca 0.12 0.19 -0.25 0.00 -1.03 0.00 0.00 54.13 53.15 1s3w s LEU 75 Cb -0.12 -2.01 0.13 0.00 0.03 0.00 0.00 46.19 44.22 1s3w s LEU 75 CO 0.02 0.22 1.10 -0.55 0.23 0.00 0.00 176.35 177.37 1s3w s SER 76 N 0.12 -0.38 0.00 2.29 0.15 -0.17 -2.77 113.70 112.93 1s3w s SER 76 Ca 0.07 0.72 0.24 0.00 0.70 0.00 0.00 55.95 57.68 1s3w s SER 76 Cb -0.12 0.73 0.26 0.00 -1.71 0.00 0.00 66.02 65.18 1s3w s SER 76 CO -0.00 -0.14 1.25 0.54 1.20 0.00 0.00 173.24 176.09 1s3w n ARG 77 N 2.04 0.97 -0.06 5.44 1.74 -1.26 -4.11 116.66 121.42 1s3w n ARG 77 Ca -0.12 -0.73 -0.03 0.00 -0.77 0.00 0.00 57.85 56.20 1s3w n ARG 77 Cb 0.56 -1.48 -0.12 0.00 -1.02 0.00 0.00 32.46 30.40 1s3w n ARG 77 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1s3w n GLU 78 N -0.38 1.31 -2.35 5.56 1.02 -1.26 -5.00 120.64 119.55 1s3w n GLU 78 Ca 0.10 -0.04 -0.36 0.00 -0.02 0.00 0.00 57.16 56.84 1s3w n GLU 78 Cb 0.41 -1.38 -0.01 0.00 -0.02 0.00 0.00 31.44 30.44 1s3w n GLU 78 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1s3w s LEU 79 N -4.82 3.89 -0.08 -4.62 1.43 -1.26 -4.97 118.68 108.25 1s3w s LEU 79 Ca -0.07 2.15 0.20 0.00 -1.03 0.00 0.00 54.13 55.38 1s3w s LEU 79 Cb 0.06 -4.43 -0.27 0.00 0.03 0.00 0.00 46.19 41.58 1s3w s LEU 79 CO 0.61 -0.96 0.38 0.29 0.23 0.00 0.00 176.35 176.91 1s3w n LYS 80 N -0.84 0.67 -3.82 1.70 5.02 -1.26 -4.98 118.16 114.64 1s3w n LYS 80 Ca 0.09 -0.06 -0.10 0.00 -2.02 0.00 0.00 58.31 56.22 1s3w n LYS 80 Cb 0.50 -1.57 -0.05 0.00 -0.02 0.00 0.00 35.03 33.90 1s3w n LYS 80 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 1s3w s GLU 81 N -3.04 1.28 0.48 1.97 -1.05 -1.26 -5.12 118.70 111.96 1s3w s GLU 81 Ca -0.08 -0.98 -0.24 0.00 -0.15 0.00 0.00 54.97 53.52 1s3w s GLU 81 Cb 0.10 0.46 -0.07 0.00 -0.44 0.00 0.00 34.13 34.18 1s3w s GLU 81 CO 0.86 -0.51 1.42 -2.30 0.95 0.00 0.00 175.26 175.68 1s3w n PRO 82 N -0.28 2.13 -0.85 -4.83 -0.02 -1.26 -4.97 135.00 124.92 1s3w n PRO 82 Ca -0.09 0.76 -0.31 0.00 -2.02 0.00 0.00 63.50 61.85 1s3w n PRO 82 Cb 0.63 -2.63 0.16 0.00 -0.02 0.00 0.00 33.50 31.63 1s3w n PRO 82 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1s3w s PRO 83 N -2.56 1.12 0.00 0.52 0.02 -1.26 -4.84 135.00 128.00 1s3w s PRO 83 Ca 0.64 1.34 -0.35 0.00 0.02 0.00 0.00 61.00 62.65 1s3w s PRO 83 Cb -0.44 -1.75 -0.13 0.00 0.02 0.00 0.00 34.50 32.19 1s3w s PRO 83 CO 0.55 -2.49 1.72 0.94 -0.33 0.00 0.00 177.00 177.39 1s3w n GLN 84 N -4.12 2.01 0.00 5.54 7.27 -1.26 -1.77 117.38 125.05 1s3w n GLN 84 Ca 0.10 0.73 0.00 0.00 0.07 0.00 0.00 57.00 57.90 1s3w n GLN 84 Cb 0.53 -2.52 0.00 0.00 2.41 0.00 0.00 30.24 30.66 1s3w n GLN 84 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1s3w n GLY 85 N 3.88 3.05 3.86 1.69 0.00 -1.26 -4.93 105.19 111.47 1s3w n GLY 85 Ca 0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.91 1s3w n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s3w s ALA 86 N -2.85 3.22 -0.21 4.61 0.00 -0.73 -4.27 121.76 121.54 1s3w s ALA 86 Ca 0.00 0.02 -0.06 0.00 0.00 0.00 0.00 51.96 51.92 1s3w s ALA 86 Cb 0.00 -2.90 -0.20 0.00 0.00 0.00 0.00 23.12 20.03 1s3w s ALA 86 CO 0.00 -0.03 0.02 0.72 0.00 0.00 0.00 175.76 176.47 1s3w n HIS 87 N -1.22 0.57 -4.13 0.00 -0.00 -0.57 -4.81 115.22 105.06 1s3w n HIS 87 Ca 0.04 0.15 -0.11 0.00 -0.00 0.00 0.00 57.72 57.79 1s3w n HIS 87 Cb 0.54 -1.07 -0.11 0.00 -0.00 0.00 0.00 29.99 29.35 1s3w n HIS 87 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 1s3w s PHE 88 N -2.52 0.81 -0.05 4.41 0.08 -0.98 -4.96 117.98 114.78 1s3w s PHE 88 Ca -0.30 -0.76 0.04 0.00 0.12 0.00 0.00 56.93 56.03 1s3w s PHE 88 Cb 0.09 -0.47 -0.00 0.00 -0.57 0.00 0.00 43.02 42.06 1s3w s PHE 88 CO 0.65 -0.13 -0.16 -1.17 -0.10 0.00 0.00 175.22 174.31 1s3w s LEU 89 N -2.49 1.89 0.10 -0.37 2.96 -1.26 -1.16 118.68 118.35 1s3w s LEU 89 Ca 0.04 -0.34 0.04 0.00 -0.22 0.00 0.00 54.13 53.64 1s3w s LEU 89 Cb -0.00 -0.94 -0.04 0.00 0.50 0.00 0.00 46.19 45.71 1s3w s LEU 89 CO -0.03 0.14 -0.11 -0.44 -1.32 0.00 0.00 176.35 174.59 1s3w s SER 90 N 0.11 1.51 0.00 3.68 0.01 -0.25 -4.94 113.70 113.82 1s3w s SER 90 Ca -0.05 -0.81 0.23 0.00 1.31 0.00 0.00 55.95 56.62 1s3w s SER 90 Cb -0.12 -0.00 0.09 0.00 0.21 0.00 0.00 66.02 66.20 1s3w s SER 90 CO 0.02 -0.25 1.13 0.54 0.41 0.00 0.00 173.24 175.09 1s3w n ARG 91 N 0.56 0.43 -3.60 12.44 5.12 -1.26 -1.00 116.66 129.35 1s3w n ARG 91 Ca -0.16 -0.33 -0.10 0.00 -1.93 0.00 0.00 57.85 55.33 1s3w n ARG 91 Cb 0.58 -1.49 -0.02 0.00 -1.16 0.00 0.00 32.46 30.36 1s3w n ARG 91 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1s3w s SER 92 N -2.80 -0.43 0.35 0.55 1.04 -1.26 -4.57 113.70 106.59 1s3w s SER 92 Ca 0.13 -0.23 0.08 0.00 0.48 0.00 0.00 55.95 56.41 1s3w s SER 92 Cb 0.17 0.63 0.67 0.00 0.10 0.00 0.00 66.02 67.59 1s3w s SER 92 CO 0.72 -1.08 1.85 0.25 0.98 0.00 0.00 173.24 175.95 1s3w h LEU 93 N 2.00 0.27 -0.56 2.42 5.85 -1.99 -2.35 115.31 120.94 1s3w h LEU 93 Ca -0.28 -0.07 -0.14 0.00 0.84 0.00 0.00 57.88 58.23 1s3w h LEU 93 Cb 1.28 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.23 1s3w h LEU 93 CO 0.32 0.48 -0.41 0.44 -0.34 0.00 0.00 178.44 178.92 1s3w h ASP 94 N 0.26 0.74 -0.05 1.25 3.45 -1.98 -1.99 116.42 118.09 1s3w h ASP 94 Ca 0.05 -0.34 -0.09 0.00 0.43 0.00 0.00 57.03 57.08 1s3w h ASP 94 Cb 0.48 -0.21 -0.01 0.00 -0.56 0.00 0.00 39.33 39.03 1s3w h ASP 94 CO 0.03 1.06 -0.22 0.44 -1.57 0.00 0.00 179.24 178.98 1s3w h ASP 95 N 0.56 0.44 -0.67 6.45 3.32 -1.95 0.80 116.42 125.38 1s3w h ASP 95 Ca 0.04 -0.14 -0.04 0.00 0.02 0.00 0.00 57.03 56.92 1s3w h ASP 95 Cb 0.95 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 40.35 1s3w h ASP 95 CO 0.09 0.67 0.25 0.00 -1.72 0.00 0.00 179.24 178.52 1s3w h ALA 96 N 1.37 0.87 -0.03 3.45 0.00 -1.03 -0.90 119.26 122.99 1s3w h ALA 96 Ca 0.06 -0.19 -0.24 0.00 0.00 0.00 0.00 54.91 54.55 1s3w h ALA 96 Cb 0.60 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 18.14 1s3w h ALA 96 CO 0.04 0.50 -0.94 -0.07 0.00 0.00 0.00 179.25 178.79 1s3w h LEU 97 N 0.95 0.71 -1.06 0.00 3.38 -0.73 -3.21 115.31 115.34 1s3w h LEU 97 Ca 0.22 -0.55 0.04 0.00 0.09 0.00 0.00 57.88 57.68 1s3w h LEU 97 Cb 0.23 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 40.71 1s3w h LEU 97 CO -0.02 1.34 0.63 0.11 0.09 0.00 0.00 178.44 180.60 1s3w h LYS 98 N 0.33 1.18 0.00 1.13 1.57 0.79 -2.24 116.57 119.33 1s3w h LYS 98 Ca -0.09 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.59 1s3w h LYS 98 Cb 1.57 -0.27 -0.00 0.00 0.08 0.00 0.00 32.23 33.61 1s3w h LYS 98 CO 0.17 0.78 -0.15 1.25 -0.57 0.00 0.00 179.45 180.94 1s3w h LEU 99 N 1.21 0.00 -1.82 2.94 6.46 -1.17 -2.34 115.31 120.59 1s3w h LEU 99 Ca 0.38 0.00 -0.03 0.00 -0.12 0.00 0.00 57.88 58.11 1s3w h LEU 99 Cb 0.00 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 39.93 1s3w h LEU 99 CO -0.12 0.15 -0.14 0.71 -0.62 0.00 0.00 178.44 178.42 1s3w h THR 100 N 0.00 0.63 -0.00 1.05 1.35 -1.44 -2.00 112.91 112.49 1s3w h THR 100 Ca -0.00 -0.60 0.00 0.00 -0.55 0.00 0.00 66.41 65.26 1s3w h THR 100 Cb 0.36 1.38 0.00 0.00 -1.73 0.00 0.00 68.15 68.16 1s3w h THR 100 CO 0.02 0.14 -0.28 -0.62 -0.25 0.00 0.00 175.52 174.52 1s3w n GLU 101 N -3.69 0.19 -2.46 4.72 -0.58 -0.88 -2.72 120.64 115.22 1s3w n GLU 101 Ca -0.02 -0.08 -0.42 0.00 -0.42 0.00 0.00 57.16 56.23 1s3w n GLU 101 Cb 0.26 -1.50 -0.03 0.00 -0.57 0.00 0.00 31.44 29.59 1s3w n GLU 101 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 1s3w s GLN 102 N -2.87 4.50 0.44 3.49 -1.52 -0.75 -4.80 119.66 118.15 1s3w s GLN 102 Ca 0.16 1.75 0.11 0.00 -1.95 0.00 0.00 55.36 55.42 1s3w s GLN 102 Cb 0.18 -3.31 0.57 0.00 -0.22 0.00 0.00 33.01 30.23 1s3w s GLN 102 CO 0.60 -0.11 1.21 -1.00 -0.25 0.00 0.00 175.29 175.74 1s3w h PRO 103 N 6.02 0.00 0.29 2.91 0.13 -1.88 0.60 132.00 140.07 1s3w h PRO 103 Ca -0.43 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.69 1s3w h PRO 103 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1s3w h PRO 103 CO 0.77 0.00 -0.14 1.05 -0.23 0.00 0.00 178.00 179.45 1s3w h GLU 104 N 0.00 -0.37 0.00 0.86 4.11 -1.89 -3.26 114.58 114.03 1s3w h GLU 104 Ca 0.00 0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.46 1s3w h GLU 104 Cb 1.08 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1s3w h GLU 104 CO 0.00 -0.03 -0.60 1.28 0.07 0.00 0.00 179.01 179.73 1s3w n LEU 105 N -5.06 0.65 -4.74 3.06 4.77 -0.04 -4.76 117.00 110.87 1s3w n LEU 105 Ca -0.08 0.19 -0.42 0.00 -0.03 0.00 0.00 56.01 55.67 1s3w n LEU 105 Cb 0.26 -0.20 -0.02 0.00 -2.33 0.00 0.00 43.42 41.13 1s3w n LEU 105 CO 0.26 -0.02 1.27 0.00 -1.33 0.00 0.00 177.39 177.57 1s3w s ALA 106 N -3.14 3.80 -2.10 -1.18 0.00 0.19 -2.15 121.76 117.19 1s3w s ALA 106 Ca 0.07 1.54 0.00 0.00 0.00 0.00 0.00 51.96 53.57 1s3w s ALA 106 Cb 0.14 -3.65 0.00 0.00 0.00 0.00 0.00 23.12 19.61 1s3w s ALA 106 CO 0.72 -0.93 0.00 0.09 0.00 0.00 0.00 175.76 175.64 1s3w n ASN 107 N 2.93 -5.53 -0.02 0.00 3.02 -1.26 -4.70 115.26 109.70 1s3w n ASN 107 Ca 0.11 0.41 -0.01 0.00 -0.03 0.00 0.00 54.58 55.06 1s3w n ASN 107 Cb 0.37 -4.78 -0.04 0.00 -0.61 0.00 0.00 39.78 34.72 1s3w n ASN 107 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1s3w n LYS 108 N -2.50 2.25 -4.26 3.52 5.02 -0.91 -4.90 118.16 116.38 1s3w n LYS 108 Ca -0.21 -0.02 -0.34 0.00 -2.02 0.00 0.00 58.31 55.72 1s3w n LYS 108 Cb 0.67 -1.13 -0.14 0.00 -0.02 0.00 0.00 35.03 34.42 1s3w n LYS 108 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1s3w s VAL 109 N -2.21 3.46 -0.15 -0.18 1.01 -1.14 0.21 120.40 121.41 1s3w s VAL 109 Ca -0.02 -0.49 -0.10 0.00 0.00 0.00 0.00 61.98 61.37 1s3w s VAL 109 Cb 0.02 -2.53 -0.04 0.00 0.00 0.00 0.00 36.38 33.83 1s3w s VAL 109 CO 0.22 0.47 -0.16 -0.67 0.00 0.00 0.00 175.10 174.96 1s3w n ASP 110 N 4.14 1.81 -4.21 3.32 4.64 -1.01 -4.26 116.55 120.99 1s3w n ASP 110 Ca -0.18 0.62 -0.18 0.00 -1.38 0.00 0.00 54.79 53.67 1s3w n ASP 110 Cb 0.52 -0.88 -0.12 0.00 -1.04 0.00 0.00 41.12 39.61 1s3w n ASP 110 CO 0.00 0.00 0.00 -0.04 -0.82 0.00 0.00 177.20 176.34 1s3w s MET 111 N -2.26 0.92 -0.11 -0.67 -1.94 -1.26 0.52 119.30 114.50 1s3w s MET 111 Ca -0.16 -1.10 -0.01 0.00 -1.71 0.00 0.00 55.69 52.72 1s3w s MET 111 Cb 0.02 -0.88 0.03 0.00 2.01 0.00 0.00 34.83 36.01 1s3w s MET 111 CO 0.25 0.18 -0.07 0.54 -0.01 0.00 0.00 175.02 175.91 1s3w s VAL 112 N -1.68 0.94 -0.20 -6.03 0.11 -0.71 -0.12 120.40 112.70 1s3w s VAL 112 Ca 0.03 -0.23 -0.07 0.00 -2.93 0.00 0.00 61.98 58.78 1s3w s VAL 112 Cb -0.08 -0.97 -0.04 0.00 -1.53 0.00 0.00 36.38 33.77 1s3w s VAL 112 CO 0.03 0.35 0.05 0.26 -3.33 0.00 0.00 175.10 172.46 1s3w s TRP 113 N 1.73 3.16 -0.30 1.54 0.52 0.67 -0.80 118.94 125.45 1s3w s TRP 113 Ca 0.05 -0.14 -0.23 0.00 0.02 0.00 0.00 56.10 55.80 1s3w s TRP 113 Cb -0.13 -2.12 -0.00 0.00 -1.15 0.00 0.00 33.47 30.08 1s3w s TRP 113 CO -0.08 -0.05 0.78 0.42 0.02 0.00 0.00 176.95 178.05 1s3w s ILE 114 N 0.80 4.80 -1.67 2.03 1.01 0.33 -1.66 121.20 126.84 1s3w s ILE 114 Ca 0.03 1.18 0.19 0.00 0.00 0.00 0.00 60.65 62.05 1s3w s ILE 114 Cb -0.14 -4.14 0.51 0.00 0.01 0.00 0.00 42.46 38.71 1s3w s ILE 114 CO 0.02 -0.24 1.42 1.33 0.00 0.00 0.00 174.94 177.48 1s3w n VAL 115 N 5.52 0.94 0.00 2.92 0.24 -0.41 -1.45 118.33 126.08 1s3w n VAL 115 Ca 0.03 -0.97 0.00 0.00 -2.04 0.00 0.00 64.34 61.37 1s3w n VAL 115 Cb 0.48 0.56 0.00 0.00 -1.47 0.00 0.00 33.84 33.41 1s3w n VAL 115 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1s3w n GLY 116 N 1.26 2.88 0.00 7.63 0.00 -1.26 -4.91 105.19 110.79 1s3w n GLY 116 Ca 0.20 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 44.21 1s3w n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s3w n GLY 117 N -1.28 2.54 0.40 -0.02 0.00 -1.26 -1.48 105.19 104.09 1s3w n GLY 117 Ca 0.00 -1.92 -0.05 0.00 0.00 0.00 0.00 46.02 44.05 1s3w n GLY 117 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1s3w h SER 118 N 0.00 -1.72 -0.59 1.61 0.87 -1.98 -1.23 113.55 110.51 1s3w h SER 118 Ca 0.00 0.32 -0.02 0.00 -1.23 0.00 0.00 61.79 60.86 1s3w h SER 118 Cb 0.00 0.83 -0.03 0.00 -0.44 0.00 0.00 62.40 62.77 1s3w h SER 118 CO 0.00 -0.27 0.29 0.28 -0.53 0.00 0.00 176.83 176.60 1s3w h SER 119 N -0.00 0.76 -0.44 6.23 0.02 -1.95 0.98 113.55 119.14 1s3w h SER 119 Ca 0.27 -0.12 -0.04 0.00 -0.84 0.00 0.00 61.79 61.06 1s3w h SER 119 Cb 0.53 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.85 1s3w h SER 119 CO -0.97 0.67 0.12 0.58 -1.14 0.00 0.00 176.83 176.10 1s3w h VAL 120 N 0.80 1.23 0.08 2.27 2.07 -1.77 -2.69 116.25 118.23 1s3w h VAL 120 Ca 0.20 -0.77 -0.00 0.00 0.82 0.00 0.00 66.70 66.95 1s3w h VAL 120 Cb 0.10 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 1s3w h VAL 120 CO -0.03 0.28 -0.04 1.88 0.02 0.00 0.00 177.57 179.68 1s3w h TYR 121 N 0.58 -0.10 -0.78 1.57 0.99 -0.79 -1.34 116.97 117.11 1s3w h TYR 121 Ca 0.14 -0.00 0.16 0.00 2.00 0.00 0.00 58.73 61.03 1s3w h TYR 121 Cb 0.29 0.03 -0.10 0.00 1.00 0.00 0.00 36.73 37.95 1s3w h TYR 121 CO 0.02 0.02 0.28 -0.22 -0.00 0.00 0.00 178.16 178.26 1s3w h LYS 122 N -0.19 0.38 -0.13 4.88 3.64 -0.81 -0.31 116.57 124.03 1s3w h LYS 122 Ca -0.01 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.25 1s3w h LYS 122 Cb 0.16 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 1s3w h LYS 122 CO 0.02 0.25 -0.30 1.49 -2.27 0.00 0.00 179.45 178.64 1s3w h GLU 123 N 0.39 0.44 -0.56 1.90 4.57 -1.43 -2.81 114.58 117.08 1s3w h GLU 123 Ca 0.44 -0.29 -0.00 0.00 -1.18 0.00 0.00 59.36 58.33 1s3w h GLU 123 Cb 0.73 0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 29.34 1s3w h GLU 123 CO -0.46 0.90 0.34 0.00 -1.18 0.00 0.00 179.01 178.62 1s3w h ALA 124 N 0.54 0.71 -0.31 2.92 0.00 -0.80 -2.33 119.26 119.99 1s3w h ALA 124 Ca 0.00 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 54.90 1s3w h ALA 124 Cb 0.90 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1s3w h ALA 124 CO 0.07 0.18 0.21 1.98 0.00 0.00 0.00 179.25 181.69 1s3w h MET 125 N 0.75 0.17 0.00 0.00 4.05 -1.11 -1.63 114.93 117.17 1s3w h MET 125 Ca 0.20 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.61 1s3w h MET 125 Cb -0.03 -0.04 0.00 0.00 -0.80 0.00 0.00 31.60 30.73 1s3w h MET 125 CO -0.04 0.11 -1.02 0.09 0.23 0.00 0.00 176.91 176.29 1s3w n ASN 126 N -4.48 0.76 -4.54 1.39 3.02 -0.96 -4.94 115.26 105.51 1s3w n ASN 126 Ca 0.04 -0.65 -0.41 0.00 -0.03 0.00 0.00 54.58 53.52 1s3w n ASN 126 Cb 0.26 0.94 0.01 0.00 -0.61 0.00 0.00 39.78 40.38 1s3w n ASN 126 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 1s3w n HIS 127 N -1.65 0.42 -3.04 3.10 -0.00 -0.61 -4.93 115.22 108.50 1s3w n HIS 127 Ca 0.03 0.58 -0.37 0.00 0.46 0.00 0.00 57.72 58.41 1s3w n HIS 127 Cb 0.37 -2.12 -0.06 0.00 -0.12 0.00 0.00 29.99 28.06 1s3w n HIS 127 CO 0.00 0.00 0.00 -1.25 0.46 0.00 0.00 176.34 175.55 1s3w s PRO 128 N -1.87 4.37 0.00 1.57 0.04 -1.26 -4.93 135.00 132.93 1s3w s PRO 128 Ca 0.64 0.99 0.00 0.00 0.04 0.00 0.00 61.00 62.67 1s3w s PRO 128 Cb -0.57 -3.01 0.00 0.00 0.04 0.00 0.00 34.50 30.96 1s3w s PRO 128 CO 0.57 0.45 0.00 0.41 0.04 0.00 0.00 177.00 178.47 1s3w n GLY 129 N 1.02 -1.56 3.67 0.56 0.00 -1.25 -4.98 105.19 102.66 1s3w n GLY 129 Ca -0.03 -2.05 -0.43 0.00 0.00 0.00 0.00 46.02 43.51 1s3w n GLY 129 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1s3w s HIS 130 N 0.00 3.20 -0.10 1.61 5.65 -1.26 -3.46 115.29 120.93 1s3w s HIS 130 Ca 0.00 1.31 -0.08 0.00 0.25 0.00 0.00 55.06 56.55 1s3w s HIS 130 Cb 0.00 -3.35 0.03 0.00 -1.18 0.00 0.00 32.58 28.08 1s3w s HIS 130 CO 0.00 -0.93 0.25 -1.17 -0.65 0.00 0.00 174.74 172.24 1s3w s LEU 131 N 2.93 0.83 -0.06 8.88 2.96 -0.99 -4.51 118.68 128.72 1s3w s LEU 131 Ca 0.50 0.52 0.03 0.00 -0.22 0.00 0.00 54.13 54.95 1s3w s LEU 131 Cb -0.19 0.83 -0.03 0.00 0.50 0.00 0.00 46.19 47.30 1s3w s LEU 131 CO 0.13 -0.11 -0.13 -0.54 -1.32 0.00 0.00 176.35 174.38 1s3w s LYS 132 N 0.51 2.66 -0.26 1.98 1.02 -1.14 -1.71 119.74 122.78 1s3w s LYS 132 Ca -0.03 -0.67 -0.05 0.00 0.02 0.00 0.00 55.97 55.24 1s3w s LYS 132 Cb -0.05 -2.45 0.01 0.00 -0.52 0.00 0.00 37.83 34.83 1s3w s LYS 132 CO -0.03 0.58 0.01 -0.51 -0.92 0.00 0.00 175.35 174.48 1s3w s LEU 133 N -0.60 3.44 -0.47 3.17 1.02 -0.59 -1.03 118.68 123.62 1s3w s LEU 133 Ca 0.09 -0.66 -0.16 0.00 0.02 0.00 0.00 54.13 53.42 1s3w s LEU 133 Cb -0.11 -1.79 0.06 0.00 0.02 0.00 0.00 46.19 44.36 1s3w s LEU 133 CO 0.01 -0.13 0.42 -0.36 0.02 0.00 0.00 176.35 176.32 1s3w s PHE 134 N 1.45 3.21 -0.22 0.29 0.40 -0.05 -0.95 117.98 122.11 1s3w s PHE 134 Ca 0.03 -0.78 -0.03 0.00 -0.60 0.00 0.00 56.93 55.55 1s3w s PHE 134 Cb -0.16 -3.13 0.00 0.00 0.51 0.00 0.00 43.02 40.24 1s3w s PHE 134 CO -0.01 -0.80 -0.07 0.08 0.70 0.00 0.00 175.22 175.13 1s3w s VAL 135 N 1.84 3.08 -0.32 -0.44 1.01 0.35 -2.00 120.40 123.93 1s3w s VAL 135 Ca 0.07 -0.68 -0.19 0.00 0.00 0.00 0.00 61.98 61.17 1s3w s VAL 135 Cb -0.22 -2.43 -0.01 0.00 0.00 0.00 0.00 36.38 33.72 1s3w s VAL 135 CO 0.08 0.38 0.59 -0.89 0.00 0.00 0.00 175.10 175.26 1s3w s THR 136 N 1.42 4.97 -0.46 3.92 2.01 -0.25 0.18 115.64 127.42 1s3w s THR 136 Ca 0.04 0.69 -0.27 0.00 0.31 0.00 0.00 61.69 62.46 1s3w s THR 136 Cb -0.15 -3.98 0.03 0.00 0.01 0.00 0.00 72.50 68.41 1s3w s THR 136 CO -0.05 -0.16 1.02 -0.13 -0.69 0.00 0.00 174.62 174.61 1s3w s ARG 137 N 2.53 3.63 -0.44 4.92 1.81 0.11 -0.91 118.95 130.61 1s3w s ARG 137 Ca 0.23 0.36 -0.22 0.00 -1.72 0.00 0.00 55.73 54.38 1s3w s ARG 137 Cb -0.15 -3.91 0.02 0.00 -0.45 0.00 0.00 34.95 30.46 1s3w s ARG 137 CO 0.12 -1.28 0.72 0.42 -0.68 0.00 0.00 175.30 174.61 1s3w s ILE 138 N 4.04 4.73 0.00 1.52 1.09 0.22 -2.09 121.20 130.72 1s3w s ILE 138 Ca 0.42 0.29 -0.05 0.00 -1.10 0.00 0.00 60.65 60.21 1s3w s ILE 138 Cb -0.09 -4.27 -0.22 0.00 -1.06 0.00 0.00 42.46 36.83 1s3w s ILE 138 CO 0.28 -0.66 3.07 0.23 -0.10 0.00 0.00 174.94 177.77 1s3w n MET 139 N 6.50 1.65 -3.67 2.79 2.81 0.14 -2.23 117.12 125.11 1s3w n MET 139 Ca 0.01 -0.80 -0.08 0.00 -1.81 0.00 0.00 57.70 55.01 1s3w n MET 139 Cb 0.48 -1.88 -0.02 0.00 -0.71 0.00 0.00 33.22 31.09 1s3w n MET 139 CO 0.00 0.00 0.00 1.14 1.51 0.00 0.00 175.97 178.62 1s3w s GLN 140 N 1.27 1.47 -0.03 0.03 -2.07 -1.26 -4.78 119.66 114.29 1s3w s GLN 140 Ca 0.54 -0.72 -0.18 0.00 -1.82 0.00 0.00 55.36 53.18 1s3w s GLN 140 Cb 0.26 0.56 -0.05 0.00 -1.09 0.00 0.00 33.01 32.68 1s3w s GLN 140 CO 0.00 -0.66 0.49 -0.51 -1.32 0.00 0.00 175.29 173.29 1s3w s ASP 141 N -2.83 6.84 -0.05 12.60 1.01 -1.26 -0.84 116.67 132.15 1s3w s ASP 141 Ca 0.07 1.00 -0.00 0.00 0.71 0.00 0.00 52.55 54.33 1s3w s ASP 141 Cb -0.03 -2.30 0.03 0.00 1.01 0.00 0.00 42.92 41.62 1s3w s ASP 141 CO -0.02 0.17 -0.00 -0.36 0.21 0.00 0.00 175.17 175.17 1s3w s PHE 142 N -0.36 0.52 -0.04 4.23 0.08 -1.26 -4.98 117.98 116.16 1s3w s PHE 142 Ca 0.27 -0.08 -0.34 0.00 0.12 0.00 0.00 56.93 56.89 1s3w s PHE 142 Cb -0.17 -0.62 -0.12 0.00 -0.57 0.00 0.00 43.02 41.54 1s3w s PHE 142 CO 0.14 -0.22 1.82 -1.91 -0.10 0.00 0.00 175.22 174.94 1s3w n GLU 143 N 4.60 2.14 -4.39 0.44 2.13 -1.26 -4.77 120.64 119.54 1s3w n GLU 143 Ca -0.17 0.78 -0.20 0.00 0.66 0.00 0.00 57.16 58.24 1s3w n GLU 143 Cb 0.50 -2.61 -0.10 0.00 0.27 0.00 0.00 31.44 29.50 1s3w n GLU 143 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 1s3w s SER 144 N 3.42 2.44 0.00 4.31 0.01 -1.26 -4.79 113.70 117.82 1s3w s SER 144 Ca 0.90 -1.19 0.00 0.00 1.31 0.00 0.00 55.95 56.97 1s3w s SER 144 Cb -0.70 -0.11 0.00 0.00 0.21 0.00 0.00 66.02 65.42 1s3w s SER 144 CO 0.49 -0.39 0.24 -0.90 0.41 0.00 0.00 173.24 173.10 1s3w n ASP 145 N -0.52 0.49 -3.79 2.44 5.68 -0.67 -4.98 116.55 115.21 1s3w n ASP 145 Ca -0.06 -0.98 -0.14 0.00 -0.50 0.00 0.00 54.79 53.12 1s3w n ASP 145 Cb 0.63 0.01 -0.15 0.00 -1.14 0.00 0.00 41.12 40.48 1s3w n ASP 145 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 1s3w s THR 146 N -0.01 -0.04 0.08 2.12 -1.32 -1.20 -5.01 115.64 110.26 1s3w s THR 146 Ca 0.00 0.15 0.08 0.00 -1.21 0.00 0.00 61.69 60.70 1s3w s THR 146 Cb 0.00 -0.10 -0.03 0.00 -1.51 0.00 0.00 72.50 70.86 1s3w s THR 146 CO 0.00 0.06 -0.20 -0.36 -2.21 0.00 0.00 174.62 171.91 1s3w s PHE 147 N 0.77 1.77 0.15 9.09 0.40 -1.26 -0.83 117.98 128.07 1s3w s PHE 147 Ca -0.06 -0.40 -0.26 0.00 -0.60 0.00 0.00 56.93 55.61 1s3w s PHE 147 Cb -0.09 -1.01 -0.08 0.00 0.51 0.00 0.00 43.02 42.36 1s3w s PHE 147 CO -0.03 0.15 0.81 0.12 0.70 0.00 0.00 175.22 176.98 1s3w s PHE 148 N -1.01 3.88 0.70 0.36 5.36 -0.41 -4.60 117.98 122.26 1s3w s PHE 148 Ca 0.07 1.66 -0.12 0.00 -0.96 0.00 0.00 56.93 57.57 1s3w s PHE 148 Cb -0.09 -2.82 0.01 0.00 -0.34 0.00 0.00 43.02 39.77 1s3w s PHE 148 CO 0.03 0.45 1.07 -1.25 -1.46 0.00 0.00 175.22 174.06 1s3w s PRO 149 N -0.88 2.82 0.33 10.12 0.04 -1.26 -4.94 135.00 141.23 1s3w s PRO 149 Ca 0.38 1.08 -0.29 0.00 0.04 0.00 0.00 61.00 62.20 1s3w s PRO 149 Cb -0.23 -1.97 -0.11 0.00 0.04 0.00 0.00 34.50 32.23 1s3w s PRO 149 CO 0.27 -1.20 1.57 -2.00 0.04 0.00 0.00 177.00 175.67 1s3w s GLU 150 N -4.78 4.10 -0.18 4.56 2.12 -1.26 -4.96 118.70 118.30 1s3w s GLU 150 Ca 0.60 2.60 -0.20 0.00 0.36 0.00 0.00 54.97 58.33 1s3w s GLU 150 Cb -0.16 -3.00 -0.03 0.00 0.26 0.00 0.00 34.13 31.21 1s3w s GLU 150 CO 0.51 -0.61 0.59 0.42 -0.54 0.00 0.00 175.26 175.63 1s3w s ILE 151 N -0.42 5.06 -0.48 -3.70 1.01 -1.26 -5.00 121.20 116.41 1s3w s ILE 151 Ca 0.60 1.12 -0.23 0.00 0.00 0.00 0.00 60.65 62.14 1s3w s ILE 151 Cb -0.48 -3.91 0.03 0.00 0.01 0.00 0.00 42.46 38.11 1s3w s ILE 151 CO 0.54 0.16 0.82 -0.62 0.00 0.00 0.00 174.94 175.85 1s3w s ASP 152 N 1.09 6.38 0.00 3.58 3.68 -1.26 -4.86 116.67 125.28 1s3w s ASP 152 Ca 0.28 -0.23 0.24 0.00 2.13 0.00 0.00 52.55 54.97 1s3w s ASP 152 Cb -0.16 -2.40 1.35 0.00 -1.45 0.00 0.00 42.92 40.26 1s3w s ASP 152 CO 0.11 -1.01 1.79 0.18 0.13 0.00 0.00 175.17 176.37 1s3w n LEU 153 N 6.91 0.00 0.14 -1.34 4.77 -1.26 -0.60 117.00 125.62 1s3w n LEU 153 Ca 0.02 0.10 0.12 0.00 -0.03 0.00 0.00 56.01 56.21 1s3w n LEU 153 Cb 0.48 -0.10 0.21 0.00 -2.33 0.00 0.00 43.42 41.68 1s3w n LEU 153 CO 0.60 -0.02 0.61 -0.33 -1.33 0.00 0.00 177.39 176.92 1s3w h GLU 154 N 0.00 0.00 0.00 3.23 4.39 -2.03 -3.37 114.58 116.79 1s3w h GLU 154 Ca 0.00 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.48 1s3w h GLU 154 Cb 0.07 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.68 1s3w h GLU 154 CO 0.00 0.00 -1.82 1.63 -1.16 0.00 0.00 179.01 177.66 1s3w n LYS 155 N -2.61 1.17 -3.60 2.33 5.02 0.24 -4.97 118.16 115.73 1s3w n LYS 155 Ca 0.04 0.04 -0.37 0.00 -2.02 0.00 0.00 58.31 56.00 1s3w n LYS 155 Cb 0.49 -1.30 -0.10 0.00 -0.02 0.00 0.00 35.03 34.11 1s3w n LYS 155 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1s3w s TYR 156 N -2.29 3.30 -0.17 2.13 1.51 -0.15 -4.39 117.35 117.29 1s3w s TYR 156 Ca -0.13 0.26 -0.09 0.00 -1.01 0.00 0.00 57.07 56.10 1s3w s TYR 156 Cb 0.04 -2.33 -0.05 0.00 -0.11 0.00 0.00 41.96 39.51 1s3w s TYR 156 CO 0.40 0.00 0.12 0.21 -1.11 0.00 0.00 175.55 175.18 1s3w s LYS 157 N 1.26 3.93 0.00 -0.62 2.20 0.24 -4.50 119.74 122.26 1s3w s LYS 157 Ca 0.09 -0.21 -0.30 0.00 -0.36 0.00 0.00 55.97 55.19 1s3w s LYS 157 Cb -0.14 -3.32 -0.05 0.00 -1.51 0.00 0.00 37.83 32.81 1s3w s LYS 157 CO 0.06 0.44 1.30 -1.17 -0.36 0.00 0.00 175.35 175.63 1s3w s LEU 158 N -0.07 4.32 0.31 5.43 2.96 -1.26 -1.01 118.68 129.36 1s3w s LEU 158 Ca 0.10 2.02 -0.19 0.00 -0.22 0.00 0.00 54.13 55.84 1s3w s LEU 158 Cb -0.11 -3.57 -0.09 0.00 0.50 0.00 0.00 46.19 42.92 1s3w s LEU 158 CO 0.00 -0.63 0.80 -0.76 -1.32 0.00 0.00 176.35 174.44 1s3w s LEU 159 N 1.98 4.17 0.46 -0.68 1.43 0.08 -4.96 118.68 121.17 1s3w s LEU 159 Ca 0.61 1.47 0.26 0.00 -1.03 0.00 0.00 54.13 55.43 1s3w s LEU 159 Cb -0.29 -3.99 1.05 0.00 0.03 0.00 0.00 46.19 42.98 1s3w s LEU 159 CO 0.26 -0.14 1.88 -0.65 0.23 0.00 0.00 176.35 177.93 1s3w h PRO 160 N 2.69 0.00 -1.75 1.29 0.11 -1.94 -3.44 132.00 128.96 1s3w h PRO 160 Ca -0.48 0.00 0.29 0.00 0.11 0.00 0.00 66.00 65.92 1s3w h PRO 160 Cb 1.18 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 32.19 1s3w h PRO 160 CO 0.65 0.19 0.74 -1.83 -0.21 0.00 0.00 178.00 177.54 1s3w s GLU 161 N -3.73 0.62 -0.28 1.05 -1.05 -1.26 -5.08 118.70 108.97 1s3w s GLU 161 Ca 0.00 -0.35 -0.19 0.00 -0.15 0.00 0.00 54.97 54.28 1s3w s GLU 161 Cb 0.11 0.21 0.10 0.00 -0.44 0.00 0.00 34.13 34.10 1s3w s GLU 161 CO 0.62 -0.29 0.80 -0.47 0.95 0.00 0.00 175.26 176.87 1s3w s TYR 162 N -2.58 -0.83 0.02 4.83 5.04 -1.26 -5.03 117.35 117.54 1s3w s TYR 162 Ca 0.15 1.75 -0.34 0.00 -2.44 0.00 0.00 57.07 56.20 1s3w s TYR 162 Cb 0.03 0.46 -0.12 0.00 0.35 0.00 0.00 41.96 42.68 1s3w s TYR 162 CO -0.02 -0.41 1.78 -2.30 -1.34 0.00 0.00 175.55 173.26 1s3w n PRO 163 N 3.58 2.25 -0.06 4.97 -0.02 -1.26 -2.19 135.00 142.28 1s3w n PRO 163 Ca -0.17 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 1s3w n PRO 163 Cb 0.57 -2.65 0.00 0.00 -0.02 0.00 0.00 33.50 31.41 1s3w n PRO 163 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s3w n GLY 164 N 4.05 1.03 3.29 -1.23 0.00 -1.26 -5.03 105.19 106.03 1s3w n GLY 164 Ca 0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.87 1s3w n GLY 164 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s3w s VAL 165 N -2.43 3.41 0.33 1.61 1.01 -0.93 -5.09 120.40 118.31 1s3w s VAL 165 Ca 0.00 -0.71 -0.29 0.00 0.00 0.00 0.00 61.98 60.98 1s3w s VAL 165 Cb 0.00 -2.67 -0.11 0.00 0.00 0.00 0.00 36.38 33.60 1s3w s VAL 165 CO 0.00 0.25 1.47 -0.76 0.00 0.00 0.00 175.10 176.06 1s3w s LEU 166 N 1.44 4.35 0.01 3.92 1.02 -1.26 -4.64 118.68 123.52 1s3w s LEU 166 Ca 0.03 2.91 0.22 0.00 0.02 0.00 0.00 54.13 57.30 1s3w s LEU 166 Cb -0.16 -3.65 -0.18 0.00 0.02 0.00 0.00 46.19 42.22 1s3w s LEU 166 CO -0.02 -0.80 0.79 -1.20 0.02 0.00 0.00 176.35 175.15 1s3w n SER 167 N 1.22 0.54 -4.81 2.29 7.64 -1.26 -4.42 113.62 114.82 1s3w n SER 167 Ca 0.03 -0.41 -0.35 0.00 1.01 0.00 0.00 58.87 59.15 1s3w n SER 167 Cb 0.39 1.28 -0.06 0.00 -1.01 0.00 0.00 64.21 64.81 1s3w n SER 167 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 1s3w s ASP 168 N -3.82 7.10 0.24 6.43 1.47 -1.26 -4.88 116.67 121.94 1s3w s ASP 168 Ca 0.01 1.63 -0.31 0.00 1.18 0.00 0.00 52.55 55.05 1s3w s ASP 168 Cb 0.15 -2.50 -0.12 0.00 -0.34 0.00 0.00 42.92 40.11 1s3w s ASP 168 CO 0.86 -0.13 1.69 0.52 0.68 0.00 0.00 175.17 178.80 1s3w n VAL 169 N 0.19 0.30 -3.94 2.11 0.31 -1.26 -4.73 118.33 111.31 1s3w n VAL 169 Ca 0.02 -0.08 -0.21 0.00 -0.01 0.00 0.00 64.34 64.06 1s3w n VAL 169 Cb 0.52 -2.00 -0.04 0.00 -0.91 0.00 0.00 33.84 31.41 1s3w n VAL 169 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 1s3w s GLN 170 N 0.68 2.83 -0.11 5.55 -1.52 0.22 -4.96 119.66 122.35 1s3w s GLN 170 Ca 0.72 -1.18 -0.09 0.00 -1.95 0.00 0.00 55.36 52.85 1s3w s GLN 170 Cb -0.50 -2.52 0.03 0.00 -0.22 0.00 0.00 33.01 29.80 1s3w s GLN 170 CO 0.37 0.23 0.29 -2.00 -0.25 0.00 0.00 175.29 173.93 1s3w s GLU 171 N -3.93 0.32 -0.27 2.91 2.12 -1.26 -1.85 118.70 116.75 1s3w s GLU 171 Ca 0.37 0.43 -0.15 0.00 0.36 0.00 0.00 54.97 55.98 1s3w s GLU 171 Cb -0.07 0.12 0.08 0.00 0.26 0.00 0.00 34.13 34.52 1s3w s GLU 171 CO 0.26 -0.06 0.66 -2.00 -0.54 0.00 0.00 175.26 173.58 1s3w s GLU 172 N 0.33 0.67 -1.76 4.30 2.12 -0.00 -4.86 118.70 119.51 1s3w s GLU 172 Ca -0.01 1.18 0.00 0.00 0.36 0.00 0.00 54.97 56.50 1s3w s GLU 172 Cb -0.03 0.14 0.00 0.00 0.26 0.00 0.00 34.13 34.50 1s3w s GLU 172 CO -0.01 -0.15 0.00 1.63 -0.54 0.00 0.00 175.26 176.19 1s3w n LYS 173 N 4.34 -1.49 -1.19 4.30 5.02 -1.26 0.03 118.16 127.91 1s3w n LYS 173 Ca -0.20 1.00 -0.07 0.00 -2.02 0.00 0.00 58.31 57.02 1s3w n LYS 173 Cb 0.58 -5.51 -0.03 0.00 -0.02 0.00 0.00 35.03 30.06 1s3w n LYS 173 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1s3w n GLY 174 N -0.91 0.87 3.58 0.72 0.00 -1.26 -5.02 105.19 103.17 1s3w n GLY 174 Ca -0.22 -0.51 -0.34 0.00 0.00 0.00 0.00 46.02 44.95 1s3w n GLY 174 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1s3w s ILE 175 N -2.15 4.24 -0.00 -0.61 1.01 0.10 -5.09 121.20 118.70 1s3w s ILE 175 Ca 0.00 -0.24 -0.13 0.00 0.00 0.00 0.00 60.65 60.28 1s3w s ILE 175 Cb 0.00 -2.85 -0.05 0.00 0.01 0.00 0.00 42.46 39.56 1s3w s ILE 175 CO 0.00 0.52 0.37 -0.54 0.00 0.00 0.00 174.94 175.29 1s3w s LYS 176 N 0.03 3.83 0.12 2.79 1.02 -1.26 -0.82 119.74 125.44 1s3w s LYS 176 Ca 0.02 0.30 -0.09 0.00 0.02 0.00 0.00 55.97 56.23 1s3w s LYS 176 Cb -0.13 -3.18 -0.00 0.00 -0.52 0.00 0.00 37.83 34.00 1s3w s LYS 176 CO 0.02 0.68 0.23 1.52 -0.92 0.00 0.00 175.35 176.88 1s3w s TYR 177 N -1.12 0.26 -0.01 3.18 -0.85 -0.77 0.28 117.35 118.32 1s3w s TYR 177 Ca 0.24 -0.67 -0.03 0.00 -0.52 0.00 0.00 57.07 56.09 1s3w s TYR 177 Cb -0.16 -0.06 -0.00 0.00 0.38 0.00 0.00 41.96 42.12 1s3w s TYR 177 CO 0.13 -0.62 0.07 -1.59 -1.52 0.00 0.00 175.55 172.02 1s3w s LYS 178 N -3.91 0.27 -0.20 -3.49 -2.85 -0.89 0.71 119.74 109.38 1s3w s LYS 178 Ca 0.10 -0.24 -0.10 0.00 -1.00 0.00 0.00 55.97 54.73 1s3w s LYS 178 Cb 0.04 0.11 -0.05 0.00 -2.06 0.00 0.00 37.83 35.87 1s3w s LYS 178 CO -0.06 -0.05 0.15 -0.06 0.10 0.00 0.00 175.35 175.42 1s3w s PHE 179 N -0.81 3.40 0.12 1.78 0.40 -1.26 0.09 117.98 121.70 1s3w s PHE 179 Ca -0.09 0.34 0.08 0.00 -0.60 0.00 0.00 56.93 56.66 1s3w s PHE 179 Cb -0.05 -2.19 -0.04 0.00 0.51 0.00 0.00 43.02 41.25 1s3w s PHE 179 CO 0.00 0.26 -0.20 -1.21 0.70 0.00 0.00 175.22 174.77 1s3w s GLU 180 N 0.46 1.18 -0.10 0.44 2.02 0.13 -4.84 118.70 117.99 1s3w s GLU 180 Ca 0.09 -1.25 0.02 0.00 0.02 0.00 0.00 54.97 53.85 1s3w s GLU 180 Cb -0.11 -1.38 0.01 0.00 0.10 0.00 0.00 34.13 32.75 1s3w s GLU 180 CO -0.01 0.31 -0.16 0.54 0.02 0.00 0.00 175.26 175.96 1s3w s VAL 181 N -1.46 1.48 0.03 2.63 0.11 -1.26 -0.50 120.40 121.43 1s3w s VAL 181 Ca 0.10 -0.65 0.07 0.00 -2.93 0.00 0.00 61.98 58.56 1s3w s VAL 181 Cb -0.09 -1.34 -0.03 0.00 -1.53 0.00 0.00 36.38 33.40 1s3w s VAL 181 CO 0.05 0.43 -0.17 -0.31 -3.33 0.00 0.00 175.10 171.77 1s3w s TYR 182 N 0.81 2.59 0.02 1.54 1.51 -0.13 -0.74 117.35 122.95 1s3w s TYR 182 Ca -0.11 -0.24 0.03 0.00 -1.01 0.00 0.00 57.07 55.75 1s3w s TYR 182 Cb -0.16 -1.49 -0.01 0.00 -0.11 0.00 0.00 41.96 40.20 1s3w s TYR 182 CO 0.01 0.25 -0.09 -2.00 -1.11 0.00 0.00 175.55 172.61 1s3w s GLU 183 N -1.38 0.68 0.07 -0.62 2.12 -0.18 -1.54 118.70 117.86 1s3w s GLU 183 Ca 0.15 -0.50 0.04 0.00 0.36 0.00 0.00 54.97 55.02 1s3w s GLU 183 Cb -0.11 -0.63 -0.03 0.00 0.26 0.00 0.00 34.13 33.63 1s3w s GLU 183 CO 0.05 0.16 -0.12 0.21 -0.54 0.00 0.00 175.26 175.02 1s3w s LYS 184 N -0.71 0.78 -0.35 4.30 2.20 -0.70 -0.59 119.74 124.68 1s3w s LYS 184 Ca -0.00 -0.98 0.05 0.00 -0.36 0.00 0.00 55.97 54.67 1s3w s LYS 184 Cb -0.06 -0.66 0.17 0.00 -1.51 0.00 0.00 37.83 35.77 1s3w s LYS 184 CO 0.00 0.13 0.48 1.21 -0.36 0.00 0.00 175.35 176.82 1s3w s ASN 185 N -1.91 -0.14 0.00 1.43 3.04 -1.26 -2.34 114.94 113.76 1s3w s ASN 185 Ca -0.01 -0.80 0.00 0.00 0.04 0.00 0.00 52.86 52.08 1s3w s ASN 185 Cb -0.08 1.29 0.00 0.00 -1.54 0.00 0.00 41.25 40.92 1s3w s ASN 185 CO 0.01 -0.27 0.01 -0.90 -3.04 0.00 0.00 177.10 172.92