#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2w3m n GLY 2 N 0.00 0.61 3.51 2.92 0.00 -1.26 -4.96 105.19 106.01 2w3m n GLY 2 Ca 0.00 -0.59 -0.17 0.00 0.00 0.00 0.00 46.02 45.26 2w3m n GLY 2 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2w3m s SER 3 N -1.74 -0.62 0.03 1.61 0.15 -1.26 -4.35 113.70 107.51 2w3m s SER 3 Ca 0.24 0.60 0.02 0.00 0.70 0.00 0.00 55.95 57.50 2w3m s SER 3 Cb 0.17 0.53 -0.02 0.00 -1.71 0.00 0.00 66.02 64.99 2w3m s SER 3 CO 0.27 -0.63 -0.08 -0.22 1.20 0.00 0.00 173.24 173.78 2w3m s LEU 4 N -1.39 2.20 0.01 3.45 2.96 -1.09 -4.61 118.68 120.20 2w3m s LEU 4 Ca -0.09 -0.44 0.07 0.00 -0.22 0.00 0.00 54.13 53.45 2w3m s LEU 4 Cb -0.00 -0.22 -0.02 0.00 0.50 0.00 0.00 46.19 46.45 2w3m s LEU 4 CO 0.06 -0.13 -0.21 0.20 -1.32 0.00 0.00 176.35 174.95 2w3m s ASN 5 N -1.23 2.48 0.08 3.68 0.01 -0.66 -2.21 114.94 117.09 2w3m s ASN 5 Ca -0.06 -0.43 0.08 0.00 -0.71 0.00 0.00 52.86 51.73 2w3m s ASN 5 Cb -0.08 -0.25 -0.04 0.00 0.41 0.00 0.00 41.25 41.29 2w3m s ASN 5 CO 0.00 0.22 -0.17 0.00 -1.51 0.00 0.00 177.10 175.65 2w3m s ILE 7 N -1.04 0.06 0.03 0.00 2.07 -0.83 -0.63 121.20 120.87 2w3m s ILE 7 Ca 0.17 0.02 -0.26 0.00 -1.41 0.00 0.00 60.65 59.16 2w3m s ILE 7 Cb -0.11 -0.10 0.06 0.00 0.13 0.00 0.00 42.46 42.45 2w3m s ILE 7 CO 0.08 0.05 0.61 0.54 -1.91 0.00 0.00 174.94 174.31 2w3m s VAL 8 N 0.29 0.01 -0.09 4.00 0.11 -0.62 -4.56 120.40 119.54 2w3m s VAL 8 Ca -0.02 -0.07 0.05 0.00 -2.93 0.00 0.00 61.98 59.00 2w3m s VAL 8 Cb -0.04 -0.99 -0.00 0.00 -1.53 0.00 0.00 36.38 33.82 2w3m s VAL 8 CO -0.01 -0.04 -0.24 0.00 -3.33 0.00 0.00 175.10 171.49 2w3m s ALA 9 N -2.24 2.20 0.02 1.54 0.00 -1.26 -1.12 121.76 120.89 2w3m s ALA 9 Ca -0.06 -0.99 0.03 0.00 0.00 0.00 0.00 51.96 50.93 2w3m s ALA 9 Cb -0.01 -0.78 -0.02 0.00 0.00 0.00 0.00 23.12 22.32 2w3m s ALA 9 CO 0.00 0.34 -0.08 0.08 0.00 0.00 0.00 175.76 176.10 2w3m s VAL 10 N 0.14 0.64 0.78 0.00 1.01 -0.13 -4.64 120.40 118.21 2w3m s VAL 10 Ca -0.13 -0.71 -0.10 0.00 0.00 0.00 0.00 61.98 61.04 2w3m s VAL 10 Cb -0.16 -0.61 0.08 0.00 0.00 0.00 0.00 36.38 35.69 2w3m s VAL 10 CO 0.07 -0.07 1.13 -0.94 0.00 0.00 0.00 175.10 175.29 2w3m s SER 11 N -0.86 4.56 0.41 3.32 1.04 -0.52 -0.39 113.70 121.26 2w3m s SER 11 Ca -0.02 0.67 0.08 0.00 0.48 0.00 0.00 55.95 57.16 2w3m s SER 11 Cb -0.06 -1.19 0.87 0.00 0.10 0.00 0.00 66.02 65.74 2w3m s SER 11 CO 0.00 -1.84 2.03 -0.61 0.98 0.00 0.00 173.24 173.81 2w3m h GLN 12 N -0.94 0.54 -0.84 4.02 4.15 -0.90 -0.23 115.11 120.92 2w3m h GLN 12 Ca -0.45 -0.03 -0.04 0.00 0.77 0.00 0.00 58.65 58.89 2w3m h GLN 12 Cb 1.32 -0.12 -0.03 0.00 0.21 0.00 0.00 27.48 28.87 2w3m h GLN 12 CO 0.64 0.36 0.05 0.27 -1.93 0.00 0.00 178.83 178.22 2w3m n ASN 13 N -4.47 3.22 -0.68 -0.69 6.94 -1.26 -4.90 115.26 113.41 2w3m n ASN 13 Ca 0.05 -2.49 -0.09 0.00 -0.02 0.00 0.00 54.58 52.04 2w3m n ASN 13 Cb 0.14 -0.60 -0.04 0.00 -2.36 0.00 0.00 39.78 36.92 2w3m n ASN 13 CO 0.00 0.00 0.00 0.23 -1.03 0.00 0.00 177.26 176.46 2w3m n MET 14 N 0.19 -0.78 -2.66 -3.83 2.81 -0.10 -4.99 117.12 107.76 2w3m n MET 14 Ca 0.15 0.77 -0.40 0.00 -1.81 0.00 0.00 57.70 56.42 2w3m n MET 14 Cb 0.75 -4.69 -0.05 0.00 -0.71 0.00 0.00 33.22 28.52 2w3m n MET 14 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 2w3m s GLY 15 N -2.74 3.09 0.00 3.03 0.00 -1.26 -0.97 107.32 108.47 2w3m s GLY 15 Ca 0.00 0.71 0.00 0.00 0.00 0.00 0.00 44.72 45.43 2w3m s GLY 15 CO 0.00 1.28 0.00 0.29 0.00 0.00 0.00 173.10 174.67 2w3m n ILE 16 N 1.34 0.00 -3.74 0.90 -5.35 0.39 -1.44 119.36 111.46 2w3m n ILE 16 Ca -0.02 -0.07 -0.10 0.00 -0.27 0.00 0.00 62.75 62.30 2w3m n ILE 16 Cb 0.46 0.51 -0.06 0.00 -1.74 0.00 0.00 39.64 38.81 2w3m n ILE 16 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2w3m s GLY 17 N -1.55 -0.11 -0.21 3.28 0.00 -1.09 -4.44 107.32 103.20 2w3m s GLY 17 Ca 0.00 -0.20 -0.06 0.00 0.00 0.00 0.00 44.72 44.46 2w3m s GLY 17 CO 0.00 -0.42 0.44 1.25 0.00 0.00 0.00 173.10 174.36 2w3m s LYS 18 N -3.39 0.35 -1.52 2.90 2.47 -0.15 -0.81 119.74 119.58 2w3m s LYS 18 Ca 0.01 1.01 -0.11 0.00 -1.56 0.00 0.00 55.97 55.31 2w3m s LYS 18 Cb 0.02 0.28 0.08 0.00 -1.46 0.00 0.00 37.83 36.75 2w3m s LYS 18 CO -0.09 -0.30 0.87 0.09 0.16 0.00 0.00 175.35 176.08 2w3m n ASN 19 N 5.39 -3.68 -0.00 1.43 3.02 -1.26 -1.62 115.26 118.54 2w3m n ASN 19 Ca -0.08 -0.84 -0.00 0.00 -0.03 0.00 0.00 54.58 53.63 2w3m n ASN 19 Cb 0.49 -3.68 -0.00 0.00 -0.61 0.00 0.00 39.78 35.99 2w3m n ASN 19 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2w3m n GLY 20 N -1.66 0.43 0.74 7.41 0.00 -1.26 -5.00 105.19 105.86 2w3m n GLY 20 Ca -0.03 -0.02 -0.05 0.00 0.00 0.00 0.00 46.02 45.92 2w3m n GLY 20 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2w3m n ASP 21 N -0.11 0.19 -4.82 1.61 -0.08 -0.64 -4.68 116.55 108.03 2w3m n ASP 21 Ca -0.00 -1.50 -0.33 0.00 -1.51 0.00 0.00 54.79 51.45 2w3m n ASP 21 Cb 0.07 0.34 -0.05 0.00 2.34 0.00 0.00 41.12 43.82 2w3m n ASP 21 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 2w3m s LEU 22 N 0.00 3.83 0.48 -2.67 1.43 -1.26 -0.98 118.68 119.51 2w3m s LEU 22 Ca 0.08 1.74 0.26 0.00 -1.03 0.00 0.00 54.13 55.18 2w3m s LEU 22 Cb 0.00 -4.54 1.14 0.00 0.03 0.00 0.00 46.19 42.83 2w3m s LEU 22 CO 0.05 -0.56 1.92 -0.65 0.23 0.00 0.00 176.35 177.34 2w3m h PRO 23 N 1.55 0.00 -6.16 1.29 0.11 -1.84 -3.41 132.00 123.54 2w3m h PRO 23 Ca -0.49 0.00 -0.54 0.00 0.11 0.00 0.00 66.00 65.08 2w3m h PRO 23 Cb 1.19 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.23 2w3m h PRO 23 CO 0.60 0.17 -0.57 1.67 -0.21 0.00 0.00 178.00 179.66 2w3m s TRP 24 N -3.81 2.77 0.88 0.65 -2.14 -1.26 -4.76 118.94 111.27 2w3m s TRP 24 Ca -0.00 -0.27 -0.10 0.00 2.66 0.00 0.00 56.10 58.38 2w3m s TRP 24 Cb 0.11 -1.43 0.13 0.00 -3.10 0.00 0.00 33.47 29.17 2w3m s TRP 24 CO 0.61 0.47 1.12 -2.14 -2.66 0.00 0.00 176.95 174.35 2w3m s PRO 25 N -3.78 1.30 0.27 3.25 0.02 -1.26 -4.91 135.00 129.88 2w3m s PRO 25 Ca 0.35 1.35 -0.30 0.00 0.02 0.00 0.00 61.00 62.42 2w3m s PRO 25 Cb -0.05 -1.77 -0.11 0.00 0.02 0.00 0.00 34.50 32.59 2w3m s PRO 25 CO 0.22 -2.37 1.49 -2.14 -0.33 0.00 0.00 177.00 173.87 2w3m s PRO 26 N -4.73 4.22 -0.38 5.54 0.02 -1.26 -4.98 135.00 133.42 2w3m s PRO 26 Ca 0.65 2.40 -0.01 0.00 0.02 0.00 0.00 61.00 64.05 2w3m s PRO 26 Cb -0.21 -3.07 0.10 0.00 0.02 0.00 0.00 34.50 31.33 2w3m s PRO 26 CO 0.58 -0.48 0.14 -0.51 -0.33 0.00 0.00 177.00 176.39 2w3m s LEU 27 N -0.53 4.92 0.14 -5.54 1.43 -1.26 -5.00 118.68 112.84 2w3m s LEU 27 Ca 0.60 -1.92 -0.18 0.00 -1.03 0.00 0.00 54.13 51.60 2w3m s LEU 27 Cb -0.44 -1.77 0.02 0.00 0.03 0.00 0.00 46.19 44.03 2w3m s LEU 27 CO 0.46 -0.46 1.73 -0.09 0.23 0.00 0.00 176.35 178.22 2w3m h ARG 28 N 7.96 0.14 0.00 1.70 2.43 -1.98 -1.12 114.38 123.51 2w3m h ARG 28 Ca -0.13 -0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 58.92 2w3m h ARG 28 Cb 1.05 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.55 2w3m h ARG 28 CO 0.64 0.09 -0.52 -0.91 -1.51 0.00 0.00 179.97 177.75 2w3m h ASN 29 N 0.15 0.00 -0.35 -3.80 2.35 -1.98 -0.74 115.58 111.20 2w3m h ASN 29 Ca 0.13 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.74 2w3m h ASN 29 Cb 0.14 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.50 2w3m h ASN 29 CO -0.18 0.52 -0.31 -0.08 -1.65 0.00 0.00 177.43 175.73 2w3m h GLU 30 N 0.00 0.84 -0.73 0.81 4.22 -1.90 -1.25 114.58 116.57 2w3m h GLU 30 Ca -0.01 -0.43 -0.00 0.00 0.08 0.00 0.00 59.36 59.00 2w3m h GLU 30 Cb 0.94 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.16 2w3m h GLU 30 CO 0.07 1.07 0.44 0.74 -2.18 0.00 0.00 179.01 179.15 2w3m h PHE 31 N 0.63 0.96 -0.02 0.92 0.04 -1.04 -2.04 116.94 116.39 2w3m h PHE 31 Ca 0.06 -0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.77 2w3m h PHE 31 Cb 0.89 -0.31 -0.01 0.00 2.20 0.00 0.00 35.95 38.72 2w3m h PHE 31 CO 0.07 0.64 -0.25 0.00 -0.60 0.00 0.00 178.31 178.16 2w3m h ARG 32 N 0.99 0.03 -0.11 1.51 3.08 -0.85 0.19 114.38 119.22 2w3m h ARG 32 Ca 0.26 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.29 2w3m h ARG 32 Cb -0.04 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.00 2w3m h ARG 32 CO -0.05 0.28 0.02 -0.92 -1.07 0.00 0.00 179.97 178.23 2w3m h TYR 33 N 0.03 0.20 -0.36 3.04 3.20 -0.85 -0.31 116.97 121.91 2w3m h TYR 33 Ca 0.00 -0.03 0.06 0.00 3.14 0.00 0.00 58.73 61.90 2w3m h TYR 33 Cb 0.47 -0.05 -0.05 0.00 1.54 0.00 0.00 36.73 38.63 2w3m h TYR 33 CO 0.00 0.39 0.06 0.35 -1.64 0.00 0.00 178.16 177.31 2w3m h PHE 34 N -0.04 0.09 -0.36 -3.82 3.04 -0.81 -0.12 116.94 114.92 2w3m h PHE 34 Ca 0.03 0.02 0.03 0.00 3.98 0.00 0.00 57.97 62.04 2w3m h PHE 34 Cb 0.29 0.01 -0.03 0.00 2.56 0.00 0.00 35.95 38.79 2w3m h PHE 34 CO 0.02 -0.00 0.16 0.37 -2.02 0.00 0.00 178.31 176.84 2w3m h GLN 35 N 0.17 0.33 -0.09 1.11 4.15 -0.88 -1.45 115.11 118.46 2w3m h GLN 35 Ca 0.17 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.57 2w3m h GLN 35 Cb 0.21 -0.07 -0.00 0.00 0.21 0.00 0.00 27.48 27.82 2w3m h GLN 35 CO -0.24 0.22 0.04 -0.09 -1.93 0.00 0.00 178.83 176.83 2w3m h ARG 36 N 0.34 0.12 -0.30 1.69 2.43 -0.65 -0.96 114.38 117.06 2w3m h ARG 36 Ca 0.15 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.28 2w3m h ARG 36 Cb 0.08 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 2w3m h ARG 36 CO -0.12 0.19 0.06 0.52 -1.51 0.00 0.00 179.97 179.10 2w3m h MET 37 N 0.03 0.48 0.00 0.20 2.86 -0.94 -2.10 114.93 115.46 2w3m h MET 37 Ca 0.03 -0.12 -0.13 0.00 -2.06 0.00 0.00 59.70 57.42 2w3m h MET 37 Cb 0.10 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.68 2w3m h MET 37 CO -0.00 0.57 -0.61 1.79 1.06 0.00 0.00 176.91 179.72 2w3m h THR 38 N 0.31 1.27 0.04 2.22 1.35 -1.26 -3.33 112.91 113.51 2w3m h THR 38 Ca 0.09 -2.20 -0.30 0.00 -0.55 0.00 0.00 66.41 63.45 2w3m h THR 38 Cb 0.32 2.24 -0.04 0.00 -1.73 0.00 0.00 68.15 68.95 2w3m h THR 38 CO 0.00 0.60 -1.66 0.74 -0.25 0.00 0.00 175.52 174.94 2w3m h THR 39 N 0.00 0.93 -2.89 6.82 2.02 -1.14 -3.43 112.91 115.22 2w3m h THR 39 Ca -0.01 -2.72 -0.57 0.00 0.77 0.00 0.00 66.41 63.88 2w3m h THR 39 Cb 1.20 2.52 -0.03 0.00 -1.74 0.00 0.00 68.15 70.09 2w3m h THR 39 CO 0.08 0.65 1.09 -0.89 0.37 0.00 0.00 175.52 176.82 2w3m s THR 40 N -2.60 3.82 0.24 3.16 2.01 -0.80 -4.60 115.64 116.86 2w3m s THR 40 Ca -0.08 0.91 -0.05 0.00 0.31 0.00 0.00 61.69 62.79 2w3m s THR 40 Cb 0.08 -3.85 -0.05 0.00 0.01 0.00 0.00 72.50 68.68 2w3m s THR 40 CO 0.82 -0.37 0.49 -0.55 -0.69 0.00 0.00 174.62 174.32 2w3m s SER 41 N 3.91 6.48 0.05 3.53 0.15 -1.26 -4.94 113.70 121.61 2w3m s SER 41 Ca 0.67 0.68 0.22 0.00 0.70 0.00 0.00 55.95 58.22 2w3m s SER 41 Cb -0.22 -2.13 -0.11 0.00 -1.71 0.00 0.00 66.02 61.86 2w3m s SER 41 CO 0.28 -0.10 0.84 -1.54 1.20 0.00 0.00 173.24 173.92 2w3m n SER 42 N -0.55 0.49 -4.44 5.45 3.41 -1.26 -4.88 113.62 111.84 2w3m n SER 42 Ca -0.02 -0.08 -0.36 0.00 -0.26 0.00 0.00 58.87 58.16 2w3m n SER 42 Cb 0.53 1.13 -0.13 0.00 -0.26 0.00 0.00 64.21 65.48 2w3m n SER 42 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2w3m s VAL 43 N -3.33 4.10 0.32 -3.33 1.01 -1.26 -5.08 120.40 112.84 2w3m s VAL 43 Ca -0.01 -0.25 -0.29 0.00 0.00 0.00 0.00 61.98 61.43 2w3m s VAL 43 Cb 0.13 -2.89 -0.11 0.00 0.00 0.00 0.00 36.38 33.51 2w3m s VAL 43 CO 0.84 0.38 1.47 -1.83 0.00 0.00 0.00 175.10 175.96 2w3m s GLU 44 N 1.35 4.19 0.00 2.72 1.03 -1.26 -2.74 118.70 124.00 2w3m s GLU 44 Ca 0.05 2.45 0.00 0.00 0.03 0.00 0.00 54.97 57.50 2w3m s GLU 44 Cb -0.15 -3.03 0.00 0.00 -0.80 0.00 0.00 34.13 30.16 2w3m s GLU 44 CO 0.02 -0.47 0.00 0.41 -1.33 0.00 0.00 175.26 173.89 2w3m n GLY 45 N 1.25 0.76 3.27 -3.83 0.00 -1.26 -5.04 105.19 100.33 2w3m n GLY 45 Ca 0.04 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.87 2w3m n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2w3m s LYS 46 N -0.30 1.10 0.21 1.61 1.02 -1.11 -4.84 119.74 117.43 2w3m s LYS 46 Ca 0.00 -1.33 0.10 0.00 0.02 0.00 0.00 55.97 54.77 2w3m s LYS 46 Cb 0.00 -0.97 -0.04 0.00 -0.52 0.00 0.00 37.83 36.29 2w3m s LYS 46 CO 0.00 0.18 -0.16 -0.65 -0.92 0.00 0.00 175.35 173.80 2w3m s GLN 47 N -2.91 1.81 0.53 1.68 -0.21 -0.52 -4.82 119.66 115.21 2w3m s GLN 47 Ca 0.12 -1.46 -0.17 0.00 0.02 0.00 0.00 55.36 53.87 2w3m s GLN 47 Cb -0.04 -1.97 -0.07 0.00 1.00 0.00 0.00 33.01 31.93 2w3m s GLN 47 CO 0.04 0.40 1.01 -0.80 -2.12 0.00 0.00 175.29 173.81 2w3m s ASN 48 N -2.95 6.39 -0.17 5.90 0.01 -1.26 -0.83 114.94 122.03 2w3m s ASN 48 Ca 0.25 1.67 -0.06 0.00 -0.71 0.00 0.00 52.86 54.00 2w3m s ASN 48 Cb -0.08 -2.52 -0.04 0.00 0.41 0.00 0.00 41.25 39.03 2w3m s ASN 48 CO 0.13 -0.75 0.04 -0.22 -1.51 0.00 0.00 177.10 174.80 2w3m s LEU 49 N -4.10 3.71 -0.15 0.60 2.96 -0.23 -1.13 118.68 120.34 2w3m s LEU 49 Ca 0.61 0.05 -0.04 0.00 -0.22 0.00 0.00 54.13 54.53 2w3m s LEU 49 Cb -0.12 -1.92 -0.03 0.00 0.50 0.00 0.00 46.19 44.62 2w3m s LEU 49 CO 0.31 0.19 -0.02 0.68 -1.32 0.00 0.00 176.35 176.19 2w3m s VAL 50 N 0.28 4.09 -0.12 1.68 -7.23 0.02 -0.73 120.40 118.39 2w3m s VAL 50 Ca 0.02 -0.29 0.02 0.00 -1.81 0.00 0.00 61.98 59.91 2w3m s VAL 50 Cb -0.13 -2.79 -0.01 0.00 0.56 0.00 0.00 36.38 34.02 2w3m s VAL 50 CO 0.01 0.51 -0.18 -0.63 -0.31 0.00 0.00 175.10 174.50 2w3m s ILE 51 N 0.13 2.60 0.05 -0.62 1.01 -0.48 -1.03 121.20 122.85 2w3m s ILE 51 Ca 0.00 -0.82 -0.12 0.00 0.00 0.00 0.00 60.65 59.71 2w3m s ILE 51 Cb -0.13 -2.06 0.01 0.00 0.01 0.00 0.00 42.46 40.29 2w3m s ILE 51 CO 0.02 0.54 0.26 0.00 0.00 0.00 0.00 174.94 175.76 2w3m s MET 52 N 0.38 0.79 0.91 2.79 0.23 -0.81 -1.53 119.30 122.06 2w3m s MET 52 Ca -0.14 -0.62 -0.13 0.00 -1.03 0.00 0.00 55.69 53.77 2w3m s MET 52 Cb -0.17 0.34 0.14 0.00 -1.53 0.00 0.00 34.83 33.61 2w3m s MET 52 CO 0.07 -0.25 1.16 0.20 -2.03 0.00 0.00 175.02 174.17 2w3m s GLY 53 N -2.23 1.60 0.17 3.16 0.00 0.51 -0.35 107.32 110.19 2w3m s GLY 53 Ca -0.03 -0.64 -0.10 0.00 0.00 0.00 0.00 44.72 43.95 2w3m s GLY 53 CO -0.05 -0.06 1.60 1.70 0.00 0.00 0.00 173.10 176.29 2w3m h LYS 54 N -1.47 1.05 -0.27 2.90 3.64 -1.90 -2.16 116.57 118.37 2w3m h LYS 54 Ca -0.49 -0.38 -0.13 0.00 -1.27 0.00 0.00 60.65 58.38 2w3m h LYS 54 Cb 1.32 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 33.06 2w3m h LYS 54 CO 0.59 1.08 -0.39 0.87 -2.27 0.00 0.00 179.45 179.33 2w3m h LYS 55 N 0.94 0.62 -0.69 1.90 1.57 -1.94 -2.38 116.57 116.59 2w3m h LYS 55 Ca 0.15 -0.31 -0.01 0.00 -1.87 0.00 0.00 60.65 58.61 2w3m h LYS 55 Cb 0.66 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.94 2w3m h LYS 55 CO 0.05 0.91 0.40 1.15 -0.57 0.00 0.00 179.45 181.39 2w3m h THR 56 N 0.51 1.20 -0.17 -0.16 2.02 -1.85 -1.34 112.91 113.13 2w3m h THR 56 Ca 0.05 -0.48 0.04 0.00 0.77 0.00 0.00 66.41 66.79 2w3m h THR 56 Cb 0.90 0.27 -0.05 0.00 -1.74 0.00 0.00 68.15 67.53 2w3m h THR 56 CO 0.08 0.22 -0.12 -0.25 0.37 0.00 0.00 175.52 175.82 2w3m h TRP 57 N 0.94 -0.29 0.00 3.16 2.91 -1.21 -2.18 115.95 119.29 2w3m h TRP 57 Ca 0.25 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.29 2w3m h TRP 57 Cb -0.00 0.15 0.00 0.00 -0.51 0.00 0.00 29.16 28.80 2w3m h TRP 57 CO -0.01 -0.18 0.00 0.74 -1.03 0.00 0.00 178.44 177.96 2w3m h PHE 58 N -0.12 0.00 0.00 2.65 0.04 -1.20 -2.48 116.94 115.83 2w3m h PHE 58 Ca 0.10 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.87 2w3m h PHE 58 Cb 0.27 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.42 2w3m h PHE 58 CO -0.26 0.00 0.00 0.66 -0.60 0.00 0.00 178.31 178.11 2w3m h SER 59 N 0.00 0.00 -3.41 2.17 4.64 -0.59 -3.44 113.55 112.92 2w3m h SER 59 Ca 0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 2w3m h SER 59 Cb 0.50 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.59 2w3m h SER 59 CO 0.00 0.00 0.46 -0.63 -0.87 0.00 0.00 176.83 175.79 2w3m s ILE 60 N -3.24 4.23 0.31 0.95 1.01 -0.93 -4.98 121.20 118.55 2w3m s ILE 60 Ca 0.07 1.73 -0.30 0.00 0.00 0.00 0.00 60.65 62.15 2w3m s ILE 60 Cb 0.09 -4.11 -0.11 0.00 0.01 0.00 0.00 42.46 38.35 2w3m s ILE 60 CO 0.57 0.20 1.58 -2.84 0.00 0.00 0.00 174.94 174.45 2w3m s PRO 61 N 0.44 4.11 0.46 2.79 0.02 -1.26 -4.84 135.00 136.72 2w3m s PRO 61 Ca 0.53 2.58 0.25 0.00 0.02 0.00 0.00 61.00 64.38 2w3m s PRO 61 Cb -0.27 -3.01 1.28 0.00 0.02 0.00 0.00 34.50 32.52 2w3m s PRO 61 CO 0.31 -0.62 1.81 1.49 -0.33 0.00 0.00 177.00 179.65 2w3m h GLU 62 N 4.50 0.23 0.00 5.54 4.81 -1.94 0.19 114.58 127.90 2w3m h GLU 62 Ca -0.48 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 58.71 2w3m h GLU 62 Cb 1.22 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 30.55 2w3m h GLU 62 CO 0.77 0.15 -0.15 0.87 -0.73 0.00 0.00 179.01 179.91 2w3m h LYS 63 N 0.23 0.00 -0.23 1.92 1.57 -2.01 -2.83 116.57 115.22 2w3m h LYS 63 Ca 0.55 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.33 2w3m h LYS 63 Cb 1.70 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.01 2w3m h LYS 63 CO -0.17 0.15 0.00 0.09 -0.57 0.00 0.00 179.45 178.95 2w3m n ASN 64 N -3.72 3.28 -4.71 0.86 4.13 0.64 -4.95 115.26 110.79 2w3m n ASN 64 Ca -0.02 -2.00 -0.35 0.00 1.68 0.00 0.00 54.58 53.89 2w3m n ASN 64 Cb 0.26 -0.14 -0.09 0.00 -1.54 0.00 0.00 39.78 38.27 2w3m n ASN 64 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 2w3m s ARG 65 N -1.72 3.54 0.60 3.52 0.52 -1.07 -2.95 118.95 121.40 2w3m s ARG 65 Ca 0.34 -0.31 -0.16 0.00 -0.52 0.00 0.00 55.73 55.08 2w3m s ARG 65 Cb 0.22 -3.07 -0.03 0.00 0.52 0.00 0.00 34.95 32.58 2w3m s ARG 65 CO 0.31 0.53 1.06 -1.25 0.02 0.00 0.00 175.30 175.98 2w3m s PRO 66 N -0.37 3.26 -0.05 3.54 0.04 -1.26 -4.98 135.00 135.19 2w3m s PRO 66 Ca 0.09 1.24 -0.33 0.00 0.04 0.00 0.00 61.00 62.04 2w3m s PRO 66 Cb -0.12 -2.02 -0.11 0.00 0.04 0.00 0.00 34.50 32.29 2w3m s PRO 66 CO 0.02 -0.86 1.90 1.28 0.04 0.00 0.00 177.00 179.38 2w3m n LEU 67 N -2.04 3.64 -4.74 -3.56 4.77 -1.15 -4.87 117.00 109.04 2w3m n LEU 67 Ca 0.09 0.96 -0.41 0.00 -0.03 0.00 0.00 56.01 56.61 2w3m n LEU 67 Cb 0.53 -1.41 0.00 0.00 -2.33 0.00 0.00 43.42 40.20 2w3m n LEU 67 CO 0.47 0.01 1.03 2.29 -1.33 0.00 0.00 177.39 179.86 2w3m n LYS 68 N 6.82 2.38 -0.97 3.23 2.85 -1.26 -3.17 118.16 128.05 2w3m n LYS 68 Ca 0.22 0.84 0.00 0.00 -1.05 0.00 0.00 58.31 58.32 2w3m n LYS 68 Cb 0.32 -2.52 0.00 0.00 -0.65 0.00 0.00 35.03 32.18 2w3m n LYS 68 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2w3m n GLY 69 N 0.60 0.62 3.11 2.58 0.00 -1.26 -4.99 105.19 105.85 2w3m n GLY 69 Ca 0.03 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.89 2w3m n GLY 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2w3m s ARG 70 N -0.23 0.67 -0.13 1.61 0.52 -1.19 -4.52 118.95 115.67 2w3m s ARG 70 Ca 0.00 -0.80 -0.28 0.00 -0.52 0.00 0.00 55.73 54.13 2w3m s ARG 70 Cb 0.00 -0.56 -0.01 0.00 0.52 0.00 0.00 34.95 34.90 2w3m s ARG 70 CO 0.00 0.12 0.93 0.42 0.02 0.00 0.00 175.30 176.79 2w3m s ILE 71 N -1.22 4.83 -0.26 1.52 1.01 -0.28 -4.78 121.20 122.02 2w3m s ILE 71 Ca -0.05 1.86 -0.07 0.00 0.00 0.00 0.00 60.65 62.38 2w3m s ILE 71 Cb -0.09 -4.23 -0.02 0.00 0.01 0.00 0.00 42.46 38.12 2w3m s ILE 71 CO 0.01 0.02 0.07 0.20 0.00 0.00 0.00 174.94 175.25 2w3m s ASN 72 N 1.10 5.13 -0.09 3.58 0.02 -1.26 -0.80 114.94 122.62 2w3m s ASN 72 Ca 0.44 -0.29 0.04 0.00 -1.02 0.00 0.00 52.86 52.03 2w3m s ASN 72 Cb -0.18 -1.92 -0.00 0.00 0.02 0.00 0.00 41.25 39.17 2w3m s ASN 72 CO 0.16 -0.06 -0.24 -0.22 0.02 0.00 0.00 177.10 176.75 2w3m s LEU 73 N 1.60 2.10 -0.12 0.60 0.20 -0.20 -1.26 118.68 121.60 2w3m s LEU 73 Ca 0.06 -0.55 -0.03 0.00 0.69 0.00 0.00 54.13 54.31 2w3m s LEU 73 Cb -0.15 -1.41 -0.03 0.00 -0.43 0.00 0.00 46.19 44.17 2w3m s LEU 73 CO 0.03 0.18 -0.02 -0.69 -0.29 0.00 0.00 176.35 175.56 2w3m s VAL 74 N 0.25 4.07 -0.14 1.68 1.01 -0.49 -1.92 120.40 124.85 2w3m s VAL 74 Ca -0.16 -0.31 -0.20 0.00 0.00 0.00 0.00 61.98 61.30 2w3m s VAL 74 Cb -0.17 -2.75 -0.03 0.00 0.00 0.00 0.00 36.38 33.43 2w3m s VAL 74 CO 0.08 0.54 0.58 -0.76 0.00 0.00 0.00 175.10 175.54 2w3m s LEU 75 N -0.20 4.23 -0.10 3.92 1.43 0.53 -1.69 118.68 126.80 2w3m s LEU 75 Ca 0.04 0.89 -0.30 0.00 -1.03 0.00 0.00 54.13 53.73 2w3m s LEU 75 Cb -0.13 -2.85 0.08 0.00 0.03 0.00 0.00 46.19 43.33 2w3m s LEU 75 CO 0.02 -0.14 0.75 -0.55 0.23 0.00 0.00 176.35 176.67 2w3m s SER 76 N 0.92 -0.61 -0.12 2.29 0.15 -0.74 -3.29 113.70 112.29 2w3m s SER 76 Ca 0.29 0.73 0.18 0.00 0.70 0.00 0.00 55.95 57.85 2w3m s SER 76 Cb -0.16 0.59 -0.25 0.00 -1.71 0.00 0.00 66.02 64.50 2w3m s SER 76 CO 0.12 -0.52 0.30 0.54 1.20 0.00 0.00 173.24 174.88 2w3m n ARG 77 N 1.08 0.67 0.10 5.44 1.74 -1.26 -3.98 116.66 120.45 2w3m n ARG 77 Ca -0.17 0.04 -0.20 0.00 -0.77 0.00 0.00 57.85 56.75 2w3m n ARG 77 Cb 0.57 -1.59 -0.15 0.00 -1.02 0.00 0.00 32.46 30.27 2w3m n ARG 77 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 2w3m h GLU 78 N 0.00 0.36 -6.97 5.56 5.08 -1.98 -3.46 114.58 113.17 2w3m h GLU 78 Ca -0.39 -0.61 -0.52 0.00 -1.00 0.00 0.00 59.36 56.84 2w3m h GLU 78 Cb 1.97 0.23 0.07 0.00 0.50 0.00 0.00 28.75 31.52 2w3m h GLU 78 CO 0.04 1.26 0.54 -0.51 -1.00 0.00 0.00 179.01 179.34 2w3m s LEU 79 N -7.24 4.12 -0.00 1.33 1.43 -1.26 -4.96 118.68 112.10 2w3m s LEU 79 Ca -0.09 2.46 0.12 0.00 -1.03 0.00 0.00 54.13 55.60 2w3m s LEU 79 Cb 0.06 -4.07 -0.14 0.00 0.03 0.00 0.00 46.19 42.07 2w3m s LEU 79 CO 0.89 -0.87 0.50 0.29 0.23 0.00 0.00 176.35 177.39 2w3m n LYS 80 N -0.17 2.64 -3.95 1.70 4.76 -1.26 -4.95 118.16 116.94 2w3m n LYS 80 Ca 0.05 -0.01 -0.09 0.00 -2.87 0.00 0.00 58.31 55.39 2w3m n LYS 80 Cb 0.46 -1.11 -0.06 0.00 -1.84 0.00 0.00 35.03 32.48 2w3m n LYS 80 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 2w3m s GLU 81 N -2.24 1.38 0.62 1.97 -1.05 -1.26 -5.10 118.70 113.01 2w3m s GLU 81 Ca 0.04 -1.18 -0.18 0.00 -0.15 0.00 0.00 54.97 53.50 2w3m s GLU 81 Cb 0.09 0.44 -0.02 0.00 -0.44 0.00 0.00 34.13 34.20 2w3m s GLU 81 CO 0.51 -0.55 1.24 -2.14 0.95 0.00 0.00 175.26 175.27 2w3m s PRO 82 N -3.98 2.78 0.58 -4.83 0.02 -1.26 -4.95 135.00 123.36 2w3m s PRO 82 Ca 0.19 1.93 -0.20 0.00 0.02 0.00 0.00 61.00 62.93 2w3m s PRO 82 Cb 0.01 -1.89 -0.04 0.00 0.02 0.00 0.00 34.50 32.60 2w3m s PRO 82 CO 0.04 -1.38 1.33 -2.14 -0.33 0.00 0.00 177.00 174.52 2w3m s PRO 83 N -3.36 2.94 -0.30 5.54 0.02 -1.26 -4.85 135.00 133.73 2w3m s PRO 83 Ca 0.80 2.16 -0.39 0.00 0.02 0.00 0.00 61.00 63.58 2w3m s PRO 83 Cb -0.33 -2.11 -0.15 0.00 0.02 0.00 0.00 34.50 31.93 2w3m s PRO 83 CO 0.36 -1.33 1.86 0.94 -0.33 0.00 0.00 177.00 178.51 2w3m n GLN 84 N -1.34 1.12 0.00 5.54 7.27 -1.26 -0.59 117.38 128.12 2w3m n GLN 84 Ca 0.12 0.39 0.00 0.00 0.07 0.00 0.00 57.00 57.59 2w3m n GLN 84 Cb 0.46 -2.17 0.00 0.00 2.41 0.00 0.00 30.24 30.95 2w3m n GLN 84 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2w3m n GLY 85 N 4.86 1.61 3.82 1.69 0.00 -1.26 -4.96 105.19 110.95 2w3m n GLY 85 Ca 0.31 -0.20 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 2w3m n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2w3m s ALA 86 N -1.42 2.98 -0.03 4.61 0.00 0.24 -4.16 121.76 123.98 2w3m s ALA 86 Ca 0.00 0.42 -0.07 0.00 0.00 0.00 0.00 51.96 52.31 2w3m s ALA 86 Cb 0.00 -3.18 -0.29 0.00 0.00 0.00 0.00 23.12 19.65 2w3m s ALA 86 CO 0.00 -0.10 0.74 0.45 0.00 0.00 0.00 175.76 176.85 2w3m h HIS 87 N 1.57 0.59 -3.92 0.00 -0.00 -1.48 -3.45 115.15 108.46 2w3m h HIS 87 Ca -0.49 -0.43 -0.12 0.00 -0.00 0.00 0.00 60.37 59.33 2w3m h HIS 87 Cb 1.19 -0.02 -0.17 0.00 -0.00 0.00 0.00 27.41 28.41 2w3m h HIS 87 CO 0.61 1.54 -0.55 -0.06 -0.00 0.00 0.00 177.93 179.47 2w3m s PHE 88 N -2.59 0.28 -0.04 2.45 0.08 -1.01 -4.99 117.98 112.15 2w3m s PHE 88 Ca -0.13 -0.65 0.03 0.00 0.12 0.00 0.00 56.93 56.30 2w3m s PHE 88 Cb 0.06 -0.20 0.00 0.00 -0.57 0.00 0.00 43.02 42.32 2w3m s PHE 88 CO 0.85 -0.38 -0.13 -1.17 -0.10 0.00 0.00 175.22 174.29 2w3m s LEU 89 N -2.36 1.84 0.09 -0.37 2.96 -1.26 -1.40 118.68 118.18 2w3m s LEU 89 Ca -0.02 -0.28 0.03 0.00 -0.22 0.00 0.00 54.13 53.65 2w3m s LEU 89 Cb 0.01 -0.78 -0.04 0.00 0.50 0.00 0.00 46.19 45.89 2w3m s LEU 89 CO -0.06 0.11 -0.09 -0.44 -1.32 0.00 0.00 176.35 174.54 2w3m s SER 90 N 0.15 1.33 0.05 3.68 0.01 -0.68 -4.97 113.70 113.28 2w3m s SER 90 Ca -0.04 -0.84 0.26 0.00 1.31 0.00 0.00 55.95 56.64 2w3m s SER 90 Cb -0.11 0.03 0.77 0.00 0.21 0.00 0.00 66.02 66.92 2w3m s SER 90 CO 0.01 -0.31 1.62 0.54 0.41 0.00 0.00 173.24 175.52 2w3m n ARG 91 N 0.49 0.09 -3.54 12.44 1.74 -1.26 -1.79 116.66 124.83 2w3m n ARG 91 Ca -0.16 0.05 -0.10 0.00 -0.77 0.00 0.00 57.85 56.87 2w3m n ARG 91 Cb 0.58 -1.58 -0.02 0.00 -1.02 0.00 0.00 32.46 30.42 2w3m n ARG 91 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2w3m s SER 92 N -3.44 -0.45 0.13 0.55 1.04 -1.26 -4.71 113.70 105.56 2w3m s SER 92 Ca 0.11 -0.14 -0.18 0.00 0.48 0.00 0.00 55.95 56.21 2w3m s SER 92 Cb 0.17 0.58 -0.04 0.00 0.10 0.00 0.00 66.02 66.82 2w3m s SER 92 CO 0.63 -0.97 1.76 0.25 0.98 0.00 0.00 173.24 175.89 2w3m h LEU 93 N 2.00 0.33 -0.83 2.42 5.85 -1.99 -0.09 115.31 123.00 2w3m h LEU 93 Ca -0.28 -0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.39 2w3m h LEU 93 Cb 1.28 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 42.19 2w3m h LEU 93 CO 0.33 0.27 0.50 -0.78 -0.34 0.00 0.00 178.44 178.42 2w3m h ASP 94 N 0.36 1.00 -0.83 1.25 3.58 -1.99 -0.26 116.42 119.53 2w3m h ASP 94 Ca 0.10 -0.07 0.03 0.00 0.42 0.00 0.00 57.03 57.51 2w3m h ASP 94 Cb -0.00 -0.25 -0.05 0.00 1.72 0.00 0.00 39.33 40.75 2w3m h ASP 94 CO -0.02 0.77 0.53 0.44 -2.88 0.00 0.00 179.24 178.09 2w3m h ASP 95 N 1.14 0.89 -0.48 2.28 3.32 -1.89 -1.71 116.42 119.97 2w3m h ASP 95 Ca 0.30 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.34 2w3m h ASP 95 Cb -0.04 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.28 2w3m h ASP 95 CO -0.06 0.62 0.30 0.00 -1.72 0.00 0.00 179.24 178.38 2w3m h ALA 96 N 1.34 0.61 -0.30 3.45 0.00 0.07 -2.28 119.26 122.15 2w3m h ALA 96 Ca 0.32 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 55.05 2w3m h ALA 96 Cb -0.02 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2w3m h ALA 96 CO -0.10 0.08 -0.34 -0.07 0.00 0.00 0.00 179.25 178.81 2w3m h LEU 97 N 0.64 0.70 -1.52 0.00 3.38 -0.86 -2.45 115.31 115.20 2w3m h LEU 97 Ca 0.17 -0.29 0.07 0.00 0.09 0.00 0.00 57.88 57.92 2w3m h LEU 97 Cb -0.03 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.49 2w3m h LEU 97 CO -0.03 0.98 0.41 0.11 0.09 0.00 0.00 178.44 180.00 2w3m h LYS 98 N 0.56 0.56 0.00 1.13 6.56 -1.23 -2.70 116.57 121.45 2w3m h LYS 98 Ca 0.06 -0.03 -0.08 0.00 -1.06 0.00 0.00 60.65 59.54 2w3m h LYS 98 Cb 0.86 -0.13 -0.01 0.00 -0.57 0.00 0.00 32.23 32.38 2w3m h LYS 98 CO 0.07 0.37 -0.37 1.25 -2.06 0.00 0.00 179.45 178.71 2w3m h LEU 99 N 0.58 0.00 -2.09 2.94 5.85 -0.91 -3.07 115.31 118.61 2w3m h LEU 99 Ca 0.27 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.99 2w3m h LEU 99 Cb 0.33 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.36 2w3m h LEU 99 CO -0.08 0.37 -0.00 0.71 -0.34 0.00 0.00 178.44 179.10 2w3m h THR 100 N 0.00 0.01 0.00 1.05 1.35 -1.45 -2.56 112.91 111.31 2w3m h THR 100 Ca -0.00 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 65.55 2w3m h THR 100 Cb 0.70 1.30 0.00 0.00 -1.73 0.00 0.00 68.15 68.42 2w3m h THR 100 CO 0.05 0.00 -1.29 -0.62 -0.25 0.00 0.00 175.52 173.41 2w3m n GLU 101 N -3.10 0.28 -1.38 4.72 1.02 -1.16 -3.35 120.64 117.67 2w3m n GLU 101 Ca -0.01 -0.06 -0.30 0.00 -0.02 0.00 0.00 57.16 56.77 2w3m n GLU 101 Cb 0.21 -1.54 0.11 0.00 -0.02 0.00 0.00 31.44 30.20 2w3m n GLU 101 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 2w3m s GLN 102 N -3.21 1.82 0.29 3.49 -1.52 -0.96 -4.52 119.66 115.05 2w3m s GLN 102 Ca 0.02 0.79 0.04 0.00 -1.95 0.00 0.00 55.36 54.26 2w3m s GLN 102 Cb 0.15 -1.88 0.67 0.00 -0.22 0.00 0.00 33.01 31.73 2w3m s GLN 102 CO 0.86 -1.84 1.77 -1.35 -0.25 0.00 0.00 175.29 174.48 2w3m h PRO 103 N -1.26 0.71 -0.25 2.91 0.11 -1.94 0.10 132.00 132.38 2w3m h PRO 103 Ca -0.47 -0.04 0.04 0.00 0.11 0.00 0.00 66.00 65.63 2w3m h PRO 103 Cb 1.27 -0.16 -0.04 0.00 0.11 0.00 0.00 31.00 32.18 2w3m h PRO 103 CO 0.56 0.47 0.02 1.49 -0.21 0.00 0.00 178.00 180.33 2w3m h GLU 104 N 0.73 0.10 -0.02 1.05 4.81 -1.92 -3.18 114.58 116.15 2w3m h GLU 104 Ca 0.54 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.77 2w3m h GLU 104 Cb 0.81 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.17 2w3m h GLU 104 CO -0.38 0.07 -0.32 1.28 -0.73 0.00 0.00 179.01 178.93 2w3m n LEU 105 N -5.13 2.33 -4.68 1.64 4.77 -0.96 -4.90 117.00 110.07 2w3m n LEU 105 Ca -0.01 -0.84 -0.45 0.00 -0.03 0.00 0.00 56.01 54.68 2w3m n LEU 105 Cb 0.12 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.18 2w3m n LEU 105 CO 0.26 0.42 1.28 0.00 -1.33 0.00 0.00 177.39 178.02 2w3m n ALA 106 N 0.42 1.74 -1.19 -1.18 0.00 -0.02 -1.31 120.51 118.97 2w3m n ALA 106 Ca 0.11 0.41 -0.06 0.00 0.00 0.00 0.00 53.44 53.89 2w3m n ALA 106 Cb 0.51 -2.43 -0.03 0.00 0.00 0.00 0.00 19.45 17.50 2w3m n ALA 106 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2w3m n ASN 107 N 4.01 -4.72 -0.01 0.00 5.03 -1.26 -4.85 115.26 113.46 2w3m n ASN 107 Ca 0.17 0.16 0.07 0.00 0.87 0.00 0.00 54.58 55.85 2w3m n ASN 107 Cb 0.31 -2.79 -0.10 0.00 -1.02 0.00 0.00 39.78 36.18 2w3m n ASN 107 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 2w3m n LYS 108 N -1.55 0.41 -4.31 3.52 5.02 -0.43 -4.79 118.16 116.03 2w3m n LYS 108 Ca -0.06 -0.12 -0.34 0.00 -2.02 0.00 0.00 58.31 55.76 2w3m n LYS 108 Cb 0.37 -1.31 -0.10 0.00 -0.02 0.00 0.00 35.03 33.97 2w3m n LYS 108 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2w3m s VAL 109 N -2.91 4.30 0.00 -0.18 1.01 -1.25 -1.44 120.40 119.93 2w3m s VAL 109 Ca -0.05 -0.23 0.00 0.00 0.00 0.00 0.00 61.98 61.70 2w3m s VAL 109 Cb 0.08 -2.85 0.00 0.00 0.00 0.00 0.00 36.38 33.61 2w3m s VAL 109 CO 0.55 0.55 0.00 -0.67 0.00 0.00 0.00 175.10 175.52 2w3m n ASP 110 N 2.80 0.00 -4.88 3.32 2.03 -0.01 -4.87 116.55 114.93 2w3m n ASP 110 Ca -0.18 0.00 -0.31 0.00 0.52 0.00 0.00 54.79 54.82 2w3m n ASP 110 Cb 0.53 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.88 2w3m n ASP 110 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 2w3m s MET 111 N 0.27 3.74 -0.18 -0.67 -1.94 -1.26 -4.92 119.30 114.33 2w3m s MET 111 Ca 0.00 0.16 -0.04 0.00 -1.71 0.00 0.00 55.69 54.10 2w3m s MET 111 Cb 0.00 -2.69 -0.03 0.00 2.01 0.00 0.00 34.83 34.12 2w3m s MET 111 CO 0.00 0.34 -0.02 0.08 -0.01 0.00 0.00 175.02 175.41 2w3m s VAL 112 N -1.81 3.92 -0.16 -6.03 1.01 -1.26 -1.06 120.40 115.01 2w3m s VAL 112 Ca 0.46 -0.33 0.02 0.00 0.00 0.00 0.00 61.98 62.12 2w3m s VAL 112 Cb -0.11 -2.75 0.02 0.00 0.00 0.00 0.00 36.38 33.53 2w3m s VAL 112 CO 0.23 0.46 -0.20 0.26 0.00 0.00 0.00 175.10 175.84 2w3m s TRP 113 N 0.73 2.65 -0.21 5.22 0.52 0.09 -1.65 118.94 126.28 2w3m s TRP 113 Ca -0.01 -1.45 -0.19 0.00 0.02 0.00 0.00 56.10 54.48 2w3m s TRP 113 Cb -0.14 -1.83 -0.03 0.00 -1.15 0.00 0.00 33.47 30.32 2w3m s TRP 113 CO 0.02 -0.70 0.54 0.42 0.02 0.00 0.00 176.95 177.25 2w3m s ILE 114 N 1.08 5.08 -0.13 2.03 1.09 0.65 -1.39 121.20 129.62 2w3m s ILE 114 Ca -0.01 0.98 0.19 0.00 -1.10 0.00 0.00 60.65 60.70 2w3m s ILE 114 Cb -0.14 -3.86 0.28 0.00 -1.06 0.00 0.00 42.46 37.69 2w3m s ILE 114 CO -0.07 0.15 1.15 1.33 -0.10 0.00 0.00 174.94 177.39 2w3m n VAL 115 N 4.70 1.86 0.00 2.92 0.24 -0.58 -1.96 118.33 125.50 2w3m n VAL 115 Ca -0.04 -2.24 0.00 0.00 -2.04 0.00 0.00 64.34 60.02 2w3m n VAL 115 Cb 0.50 -0.22 0.00 0.00 -1.47 0.00 0.00 33.84 32.65 2w3m n VAL 115 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2w3m n GLY 116 N -1.42 0.60 0.00 7.63 0.00 -1.26 -4.94 105.19 105.81 2w3m n GLY 116 Ca 0.16 -2.16 0.00 0.00 0.00 0.00 0.00 46.02 44.02 2w3m n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2w3m n GLY 117 N -0.13 1.60 0.17 -0.02 0.00 -1.26 -0.36 105.19 105.19 2w3m n GLY 117 Ca 0.00 -1.68 -0.06 0.00 0.00 0.00 0.00 46.02 44.28 2w3m n GLY 117 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2w3m h SER 118 N 0.00 -0.40 0.66 1.61 4.64 -1.98 -0.64 113.55 117.44 2w3m h SER 118 Ca 0.00 0.11 -0.09 0.00 -0.47 0.00 0.00 61.79 61.34 2w3m h SER 118 Cb 0.00 0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.32 2w3m h SER 118 CO 0.00 -0.14 -0.44 0.77 -0.87 0.00 0.00 176.83 176.15 2w3m h SER 119 N -0.04 0.00 -0.20 4.97 4.64 -1.96 -1.56 113.55 119.40 2w3m h SER 119 Ca 0.17 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.37 2w3m h SER 119 Cb 0.30 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.39 2w3m h SER 119 CO -0.37 0.44 -0.34 0.58 -0.87 0.00 0.00 176.83 176.26 2w3m h VAL 120 N 0.00 1.33 -0.53 0.95 2.07 -1.65 -2.32 116.25 116.10 2w3m h VAL 120 Ca -0.00 -1.56 -0.01 0.00 0.82 0.00 0.00 66.70 65.95 2w3m h VAL 120 Cb 0.88 1.85 -0.03 0.00 -1.52 0.00 0.00 31.29 32.47 2w3m h VAL 120 CO 0.06 0.48 0.31 1.88 0.02 0.00 0.00 177.57 180.32 2w3m h TYR 121 N 0.26 0.71 -0.56 1.57 0.05 -1.06 -1.36 116.97 116.58 2w3m h TYR 121 Ca 0.01 -0.01 0.03 0.00 0.05 0.00 0.00 58.73 58.82 2w3m h TYR 121 Cb 0.93 -0.23 -0.04 0.00 1.01 0.00 0.00 36.73 38.40 2w3m h TYR 121 CO 0.09 0.51 0.33 -0.22 -1.05 0.00 0.00 178.16 177.81 2w3m h LYS 122 N 0.71 0.62 -0.16 4.88 3.64 -1.25 -0.68 116.57 124.34 2w3m h LYS 122 Ca 0.19 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.50 2w3m h LYS 122 Cb 0.01 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 31.69 2w3m h LYS 122 CO -0.03 0.41 -0.04 1.49 -2.27 0.00 0.00 179.45 179.01 2w3m h GLU 123 N 0.64 0.30 -0.93 1.90 4.81 -1.33 -3.11 114.58 116.86 2w3m h GLU 123 Ca 0.23 -0.12 0.02 0.00 -0.13 0.00 0.00 59.36 59.36 2w3m h GLU 123 Cb 0.06 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.37 2w3m h GLU 123 CO -0.12 0.58 0.61 0.00 -0.73 0.00 0.00 179.01 179.36 2w3m h ALA 124 N 0.71 1.20 0.00 2.92 0.00 -1.01 -2.69 119.26 120.39 2w3m h ALA 124 Ca 0.04 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2w3m h ALA 124 Cb 0.48 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 2w3m h ALA 124 CO 0.02 0.54 -0.06 0.52 0.00 0.00 0.00 179.25 180.26 2w3m h MET 125 N 1.23 0.00 -0.02 0.00 2.86 -1.06 -1.88 114.93 116.06 2w3m h MET 125 Ca 0.35 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.99 2w3m h MET 125 Cb -0.09 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.57 2w3m h MET 125 CO -0.09 0.06 -0.17 -1.71 1.06 0.00 0.00 176.91 176.06 2w3m n ASN 126 N -3.22 1.83 -4.77 1.22 5.15 -1.04 -4.98 115.26 109.45 2w3m n ASN 126 Ca -0.00 -1.46 -0.40 0.00 -0.60 0.00 0.00 54.58 52.12 2w3m n ASN 126 Cb 0.31 0.13 -0.02 0.00 -0.53 0.00 0.00 39.78 39.67 2w3m n ASN 126 CO 0.00 0.00 0.00 -2.28 1.40 0.00 0.00 177.26 176.38 2w3m s HIS 127 N -2.23 2.99 0.75 1.20 2.46 -0.71 -4.97 115.29 114.78 2w3m s HIS 127 Ca 0.28 1.41 -0.14 0.00 0.47 0.00 0.00 55.06 57.08 2w3m s HIS 127 Cb 0.20 -3.69 0.05 0.00 -0.13 0.00 0.00 32.58 29.01 2w3m s HIS 127 CO 0.42 -1.93 1.16 -2.14 -2.47 0.00 0.00 174.74 169.79 2w3m s PRO 128 N -1.88 2.12 0.38 2.88 0.02 -1.26 -4.89 135.00 132.37 2w3m s PRO 128 Ca 0.50 1.58 0.00 0.00 0.02 0.00 0.00 61.00 63.10 2w3m s PRO 128 Cb -0.40 -1.85 0.00 0.00 0.02 0.00 0.00 34.50 32.27 2w3m s PRO 128 CO 0.52 -1.81 0.00 0.41 -0.33 0.00 0.00 177.00 175.80 2w3m n GLY 129 N -0.02 -1.80 3.73 0.52 0.00 -1.25 -4.93 105.19 101.45 2w3m n GLY 129 Ca 0.12 -1.86 -0.41 0.00 0.00 0.00 0.00 46.02 43.87 2w3m n GLY 129 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2w3m s HIS 130 N 0.00 3.36 -0.11 1.61 5.65 -1.17 -3.67 115.29 120.96 2w3m s HIS 130 Ca 0.00 1.32 -0.09 0.00 0.25 0.00 0.00 55.06 56.54 2w3m s HIS 130 Cb 0.00 -3.50 0.03 0.00 -1.18 0.00 0.00 32.58 27.93 2w3m s HIS 130 CO 0.00 -1.50 0.28 -0.51 -0.65 0.00 0.00 174.74 172.36 2w3m s LEU 131 N 0.00 0.71 0.01 8.88 1.43 -0.72 -2.68 118.68 126.31 2w3m s LEU 131 Ca 0.55 0.58 0.06 0.00 -1.03 0.00 0.00 54.13 54.29 2w3m s LEU 131 Cb -0.34 0.94 -0.03 0.00 0.03 0.00 0.00 46.19 46.79 2w3m s LEU 131 CO 0.36 -0.12 -0.15 -0.54 0.23 0.00 0.00 176.35 176.12 2w3m s LYS 132 N 0.54 2.26 -0.23 1.70 1.02 -0.94 -1.38 119.74 122.72 2w3m s LYS 132 Ca -0.03 -0.87 0.00 0.00 0.02 0.00 0.00 55.97 55.09 2w3m s LYS 132 Cb -0.05 -2.29 0.03 0.00 -0.52 0.00 0.00 37.83 35.01 2w3m s LYS 132 CO -0.03 0.57 -0.11 -0.51 -0.92 0.00 0.00 175.35 174.35 2w3m s LEU 133 N -1.25 2.89 -0.48 3.17 1.43 -0.15 -1.07 118.68 123.21 2w3m s LEU 133 Ca 0.14 -0.88 -0.17 0.00 -1.03 0.00 0.00 54.13 52.19 2w3m s LEU 133 Cb -0.11 -1.59 0.06 0.00 0.03 0.00 0.00 46.19 44.59 2w3m s LEU 133 CO 0.04 -0.09 0.51 -0.36 0.23 0.00 0.00 176.35 176.68 2w3m s PHE 134 N 1.28 3.15 -0.22 0.29 0.40 0.20 -1.02 117.98 122.05 2w3m s PHE 134 Ca 0.00 -0.68 0.01 0.00 -0.60 0.00 0.00 56.93 55.66 2w3m s PHE 134 Cb -0.16 -3.30 0.03 0.00 0.51 0.00 0.00 43.02 40.10 2w3m s PHE 134 CO -0.07 -0.89 -0.13 0.08 0.70 0.00 0.00 175.22 174.90 2w3m s VAL 135 N 2.16 2.37 -0.33 -0.44 1.01 -0.28 -1.59 120.40 123.30 2w3m s VAL 135 Ca 0.10 -1.11 -0.23 0.00 0.00 0.00 0.00 61.98 60.75 2w3m s VAL 135 Cb -0.21 -2.16 0.00 0.00 0.00 0.00 0.00 36.38 34.02 2w3m s VAL 135 CO 0.10 0.31 0.76 -0.89 0.00 0.00 0.00 175.10 175.38 2w3m s THR 136 N 1.26 4.79 -0.54 3.92 2.01 -0.28 -0.96 115.64 125.84 2w3m s THR 136 Ca 0.00 1.02 -0.22 0.00 0.31 0.00 0.00 61.69 62.81 2w3m s THR 136 Cb -0.16 -4.15 0.05 0.00 0.01 0.00 0.00 72.50 68.26 2w3m s THR 136 CO -0.08 -0.31 0.80 -0.13 -0.69 0.00 0.00 174.62 174.21 2w3m s ARG 137 N 2.96 3.21 -0.33 4.92 1.81 -0.24 -0.95 118.95 130.33 2w3m s ARG 137 Ca 0.31 -0.62 -0.29 0.00 -1.72 0.00 0.00 55.73 53.41 2w3m s ARG 137 Cb -0.14 -4.10 0.02 0.00 -0.45 0.00 0.00 34.95 30.28 2w3m s ARG 137 CO 0.14 -1.41 1.11 0.42 -0.68 0.00 0.00 175.30 174.88 2w3m s ILE 138 N 3.35 4.44 -0.29 1.52 -1.09 0.48 -1.52 121.20 128.09 2w3m s ILE 138 Ca 0.22 1.64 -0.01 0.00 -2.23 0.00 0.00 60.65 60.27 2w3m s ILE 138 Cb -0.16 -4.40 0.15 0.00 -1.58 0.00 0.00 42.46 36.46 2w3m s ILE 138 CO 0.15 -0.53 2.20 0.23 -1.23 0.00 0.00 174.94 175.76 2w3m n MET 139 N 7.00 1.81 -3.61 2.79 2.81 -0.12 -2.28 117.12 125.52 2w3m n MET 139 Ca 0.12 -1.47 -0.11 0.00 -1.81 0.00 0.00 57.70 54.44 2w3m n MET 139 Cb 0.47 -1.64 -0.04 0.00 -0.71 0.00 0.00 33.22 31.31 2w3m n MET 139 CO 0.00 0.00 0.00 1.14 1.51 0.00 0.00 175.97 178.62 2w3m s GLN 140 N -1.47 1.24 0.40 0.03 -2.07 -1.26 -4.91 119.66 111.61 2w3m s GLN 140 Ca 0.33 -0.70 -0.24 0.00 -1.82 0.00 0.00 55.36 52.93 2w3m s GLN 140 Cb 0.24 0.52 -0.09 0.00 -1.09 0.00 0.00 33.01 32.59 2w3m s GLN 140 CO -0.04 -0.52 1.07 -0.51 -1.32 0.00 0.00 175.29 173.98 2w3m s ASP 141 N -2.81 6.70 0.00 12.60 1.01 -1.26 -1.73 116.67 131.18 2w3m s ASP 141 Ca 0.05 2.09 -0.00 0.00 0.71 0.00 0.00 52.55 55.39 2w3m s ASP 141 Cb 0.00 -2.59 -0.00 0.00 1.01 0.00 0.00 42.92 41.34 2w3m s ASP 141 CO -0.09 -0.53 0.00 -0.36 0.21 0.00 0.00 175.17 174.40 2w3m s PHE 142 N -1.62 0.04 0.09 4.23 0.08 -1.26 -4.95 117.98 114.58 2w3m s PHE 142 Ca 0.58 -0.07 -0.31 0.00 0.12 0.00 0.00 56.93 57.25 2w3m s PHE 142 Cb -0.23 -0.03 -0.09 0.00 -0.57 0.00 0.00 43.02 42.10 2w3m s PHE 142 CO 0.29 -0.04 1.69 -2.00 -0.10 0.00 0.00 175.22 175.06 2w3m s GLU 143 N -0.27 4.18 0.04 0.44 2.12 -1.26 -4.83 118.70 119.13 2w3m s GLU 143 Ca -0.03 2.39 -0.00 0.00 0.36 0.00 0.00 54.97 57.69 2w3m s GLU 143 Cb -0.02 -3.58 -0.03 0.00 0.26 0.00 0.00 34.13 30.76 2w3m s GLU 143 CO -0.00 -0.75 -0.04 -1.12 -0.54 0.00 0.00 175.26 172.81 2w3m s SER 144 N 2.42 0.50 0.00 -1.70 0.01 -1.26 -4.75 113.70 108.91 2w3m s SER 144 Ca 0.75 -0.78 0.00 0.00 1.31 0.00 0.00 55.95 57.23 2w3m s SER 144 Cb -0.41 0.14 0.00 0.00 0.21 0.00 0.00 66.02 65.96 2w3m s SER 144 CO 0.33 -0.44 0.59 -0.90 0.41 0.00 0.00 173.24 173.23 2w3m n ASP 145 N 0.75 1.07 -3.86 2.44 5.68 0.01 -4.98 116.55 117.65 2w3m n ASP 145 Ca -0.18 -1.33 -0.15 0.00 -0.50 0.00 0.00 54.79 52.63 2w3m n ASP 145 Cb 0.58 0.00 -0.15 0.00 -1.14 0.00 0.00 41.12 40.41 2w3m n ASP 145 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 2w3m s THR 146 N -0.33 0.15 0.10 2.12 2.01 -1.02 -4.98 115.64 113.70 2w3m s THR 146 Ca 0.00 -0.00 0.04 0.00 0.31 0.00 0.00 61.69 62.04 2w3m s THR 146 Cb 0.00 -0.19 -0.04 0.00 0.01 0.00 0.00 72.50 72.29 2w3m s THR 146 CO 0.00 0.09 -0.11 -0.36 -0.69 0.00 0.00 174.62 173.55 2w3m s PHE 147 N 0.42 1.15 -0.08 4.92 0.40 -1.26 -0.46 117.98 123.08 2w3m s PHE 147 Ca -0.04 -0.63 -0.20 0.00 -0.60 0.00 0.00 56.93 55.46 2w3m s PHE 147 Cb -0.06 -0.62 -0.04 0.00 0.51 0.00 0.00 43.02 42.80 2w3m s PHE 147 CO -0.01 0.04 0.57 0.12 0.70 0.00 0.00 175.22 176.64 2w3m s PHE 148 N -2.40 3.57 0.51 0.36 5.36 -0.14 -4.64 117.98 120.60 2w3m s PHE 148 Ca 0.07 1.07 -0.23 0.00 -0.96 0.00 0.00 56.93 56.87 2w3m s PHE 148 Cb -0.03 -2.63 -0.06 0.00 -0.34 0.00 0.00 43.02 39.95 2w3m s PHE 148 CO 0.01 0.19 1.40 -2.30 -1.46 0.00 0.00 175.22 173.06 2w3m n PRO 149 N 3.46 1.94 -1.95 10.12 -0.02 -1.26 -4.94 135.00 142.36 2w3m n PRO 149 Ca -0.05 0.70 -0.40 0.00 -2.02 0.00 0.00 63.50 61.73 2w3m n PRO 149 Cb 0.51 -2.61 -0.00 0.00 -0.02 0.00 0.00 33.50 31.38 2w3m n PRO 149 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 2w3m s GLU 150 N -2.72 4.01 -0.20 -0.52 1.03 -1.26 -4.97 118.70 114.08 2w3m s GLU 150 Ca 0.67 2.33 -0.21 0.00 0.03 0.00 0.00 54.97 57.79 2w3m s GLU 150 Cb -0.43 -2.84 -0.02 0.00 -0.80 0.00 0.00 34.13 30.04 2w3m s GLU 150 CO 0.53 -0.52 0.63 0.42 -1.33 0.00 0.00 175.26 174.98 2w3m s ILE 151 N -1.19 5.02 -0.50 1.83 1.01 -1.26 -5.03 121.20 121.08 2w3m s ILE 151 Ca 0.55 1.18 -0.27 0.00 0.00 0.00 0.00 60.65 62.11 2w3m s ILE 151 Cb -0.42 -3.94 0.03 0.00 0.01 0.00 0.00 42.46 38.14 2w3m s ILE 151 CO 0.55 0.11 1.05 -0.62 0.00 0.00 0.00 174.94 176.03 2w3m s ASP 152 N 1.21 6.51 0.00 3.58 -1.08 -1.26 -4.91 116.67 120.72 2w3m s ASP 152 Ca 0.29 0.16 0.26 0.00 -0.52 0.00 0.00 52.55 52.73 2w3m s ASP 152 Cb -0.16 -2.50 1.27 0.00 -1.46 0.00 0.00 42.92 40.07 2w3m s ASP 152 CO 0.10 -1.23 1.88 0.18 0.52 0.00 0.00 175.17 176.62 2w3m n LEU 153 N 7.70 0.00 -0.05 -1.34 4.77 -1.26 -0.86 117.00 125.96 2w3m n LEU 153 Ca 0.08 0.34 -0.02 0.00 -0.03 0.00 0.00 56.01 56.38 2w3m n LEU 153 Cb 0.49 -0.34 0.23 0.00 -2.33 0.00 0.00 43.42 41.46 2w3m n LEU 153 CO 0.68 -0.04 0.90 -0.08 -1.33 0.00 0.00 177.39 177.52 2w3m h GLU 154 N 0.00 0.64 0.01 3.23 4.57 -2.03 -3.36 114.58 117.65 2w3m h GLU 154 Ca 0.00 -0.16 -0.36 0.00 -1.18 0.00 0.00 59.36 57.66 2w3m h GLU 154 Cb 0.30 -0.08 -0.05 0.00 -0.16 0.00 0.00 28.75 28.75 2w3m h GLU 154 CO 0.00 0.67 -2.00 1.63 -1.18 0.00 0.00 179.01 178.13 2w3m n LYS 155 N -4.24 0.61 -3.82 1.92 5.02 -0.68 -5.01 118.16 111.95 2w3m n LYS 155 Ca 0.02 0.37 -0.34 0.00 -2.02 0.00 0.00 58.31 56.34 2w3m n LYS 155 Cb 0.28 -1.61 -0.05 0.00 -0.02 0.00 0.00 35.03 33.62 2w3m n LYS 155 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 2w3m s TYR 156 N -2.46 3.56 -0.00 2.13 2.02 -0.03 -4.45 117.35 118.12 2w3m s TYR 156 Ca -0.33 0.49 0.06 0.00 -0.37 0.00 0.00 57.07 56.92 2w3m s TYR 156 Cb 0.10 -1.93 -0.03 0.00 -0.40 0.00 0.00 41.96 39.71 2w3m s TYR 156 CO 0.57 0.62 -0.19 0.15 -1.57 0.00 0.00 175.55 175.13 2w3m s LYS 157 N -1.84 2.21 -0.13 -0.62 1.02 -0.56 -4.40 119.74 115.42 2w3m s LYS 157 Ca 0.28 -0.88 -0.29 0.00 0.02 0.00 0.00 55.97 55.09 2w3m s LYS 157 Cb -0.13 -2.21 -0.01 0.00 -0.52 0.00 0.00 37.83 34.97 2w3m s LYS 157 CO 0.17 0.57 1.04 -1.17 -0.92 0.00 0.00 175.35 175.04 2w3m s LEU 158 N -0.99 4.21 0.04 3.17 2.96 -1.26 -1.48 118.68 125.33 2w3m s LEU 158 Ca 0.12 1.52 -0.26 0.00 -0.22 0.00 0.00 54.13 55.29 2w3m s LEU 158 Cb -0.10 -3.55 -0.05 0.00 0.50 0.00 0.00 46.19 42.98 2w3m s LEU 158 CO 0.02 -0.52 0.82 -0.76 -1.32 0.00 0.00 176.35 174.59 2w3m s LEU 159 N 2.34 4.43 0.40 -0.68 1.43 -0.21 -4.94 118.68 121.45 2w3m s LEU 159 Ca 0.48 1.51 0.10 0.00 -1.03 0.00 0.00 54.13 55.19 2w3m s LEU 159 Cb -0.18 -3.33 0.83 0.00 0.03 0.00 0.00 46.19 43.54 2w3m s LEU 159 CO 0.15 -0.05 1.94 -0.65 0.23 0.00 0.00 176.35 177.97 2w3m h PRO 160 N 5.92 0.21 -3.44 1.29 0.11 -1.96 -3.43 132.00 130.70 2w3m h PRO 160 Ca -0.43 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 65.52 2w3m h PRO 160 Cb 1.21 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.25 2w3m h PRO 160 CO 0.72 0.34 0.09 -1.83 -0.21 0.00 0.00 178.00 177.11 2w3m s GLU 161 N -4.74 2.08 -0.25 1.05 1.03 -1.26 -5.04 118.70 111.57 2w3m s GLU 161 Ca -0.05 -1.54 -0.15 0.00 0.03 0.00 0.00 54.97 53.26 2w3m s GLU 161 Cb 0.16 0.55 0.07 0.00 -0.80 0.00 0.00 34.13 34.11 2w3m s GLU 161 CO 0.73 -0.93 0.61 -0.47 -1.33 0.00 0.00 175.26 173.86 2w3m s TYR 162 N -2.69 -0.90 0.29 4.83 5.04 -1.26 -5.03 117.35 117.63 2w3m s TYR 162 Ca 0.21 1.86 -0.30 0.00 -2.44 0.00 0.00 57.07 56.40 2w3m s TYR 162 Cb -0.03 0.49 -0.12 0.00 0.35 0.00 0.00 41.96 42.65 2w3m s TYR 162 CO 0.15 -0.46 1.60 -2.30 -1.34 0.00 0.00 175.55 173.20 2w3m n PRO 163 N 4.10 2.68 -0.53 4.97 -0.02 -1.26 -2.04 135.00 142.90 2w3m n PRO 163 Ca -0.20 0.95 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 2w3m n PRO 163 Cb 0.58 -2.74 0.00 0.00 -0.02 0.00 0.00 33.50 31.32 2w3m n PRO 163 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2w3m n GLY 164 N 2.29 1.02 3.19 -1.23 0.00 -1.26 -5.03 105.19 104.16 2w3m n GLY 164 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 2w3m n GLY 164 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2w3m s VAL 165 N -3.18 2.13 0.35 1.61 1.01 -0.86 -5.12 120.40 116.34 2w3m s VAL 165 Ca 0.00 -0.96 -0.29 0.00 0.00 0.00 0.00 61.98 60.73 2w3m s VAL 165 Cb 0.00 -1.85 -0.11 0.00 0.00 0.00 0.00 36.38 34.43 2w3m s VAL 165 CO 0.00 0.55 1.41 -0.76 0.00 0.00 0.00 175.10 176.30 2w3m s LEU 166 N 0.70 4.37 -0.09 3.92 1.43 -1.26 -4.58 118.68 123.17 2w3m s LEU 166 Ca -0.10 2.87 0.15 0.00 -1.03 0.00 0.00 54.13 56.03 2w3m s LEU 166 Cb -0.16 -3.66 -0.23 0.00 0.03 0.00 0.00 46.19 42.17 2w3m s LEU 166 CO 0.01 -0.72 0.44 -1.20 0.23 0.00 0.00 176.35 175.11 2w3m n SER 167 N 0.80 0.51 -4.85 2.29 7.64 -1.26 -4.45 113.62 114.29 2w3m n SER 167 Ca 0.01 0.24 -0.32 0.00 1.01 0.00 0.00 58.87 59.81 2w3m n SER 167 Cb 0.40 0.43 -0.00 0.00 -1.01 0.00 0.00 64.21 64.03 2w3m n SER 167 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2w3m s ASP 168 N -5.78 6.28 0.21 6.43 1.01 -1.26 -4.86 116.67 118.71 2w3m s ASP 168 Ca -0.07 1.53 -0.31 0.00 0.71 0.00 0.00 52.55 54.42 2w3m s ASP 168 Cb 0.07 -2.49 -0.11 0.00 1.01 0.00 0.00 42.92 41.40 2w3m s ASP 168 CO 0.83 -0.83 1.59 -0.69 0.21 0.00 0.00 175.17 176.28 2w3m s VAL 169 N -2.87 2.39 0.22 -1.27 1.01 -1.26 -4.72 120.40 113.89 2w3m s VAL 169 Ca 0.58 0.29 0.05 0.00 0.00 0.00 0.00 61.98 62.90 2w3m s VAL 169 Cb -0.11 -3.19 -0.03 0.00 0.00 0.00 0.00 36.38 33.05 2w3m s VAL 169 CO 0.43 0.03 0.31 -1.10 0.00 0.00 0.00 175.10 174.77 2w3m s GLN 170 N 0.68 3.33 -0.11 2.72 -1.52 0.68 -4.96 119.66 120.47 2w3m s GLN 170 Ca 0.69 -0.78 -0.05 0.00 -1.95 0.00 0.00 55.36 53.27 2w3m s GLN 170 Cb -0.46 -2.84 0.05 0.00 -0.22 0.00 0.00 33.01 29.54 2w3m s GLN 170 CO 0.36 0.45 0.24 -2.00 -0.25 0.00 0.00 175.29 174.08 2w3m s GLU 171 N -3.77 0.17 -0.02 2.91 2.12 -1.26 -1.27 118.70 117.58 2w3m s GLU 171 Ca 0.34 0.60 0.01 0.00 0.36 0.00 0.00 54.97 56.28 2w3m s GLU 171 Cb -0.09 -0.11 0.01 0.00 0.26 0.00 0.00 34.13 34.20 2w3m s GLU 171 CO 0.28 -0.21 -0.03 -1.21 -0.54 0.00 0.00 175.26 173.55 2w3m s GLU 172 N 1.72 0.40 -1.63 4.30 2.02 -0.68 -4.84 118.70 119.98 2w3m s GLU 172 Ca -0.05 -0.07 -0.15 0.00 0.02 0.00 0.00 54.97 54.72 2w3m s GLU 172 Cb -0.11 -0.45 0.12 0.00 0.10 0.00 0.00 34.13 33.79 2w3m s GLU 172 CO -0.08 -0.00 0.74 1.63 0.02 0.00 0.00 175.26 177.56 2w3m n LYS 173 N 3.49 -3.45 -0.91 1.61 5.02 -1.26 -1.05 118.16 121.62 2w3m n LYS 173 Ca -0.19 0.40 0.00 0.00 -2.02 0.00 0.00 58.31 56.50 2w3m n LYS 173 Cb 0.55 -5.03 0.00 0.00 -0.02 0.00 0.00 35.03 30.53 2w3m n LYS 173 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2w3m n GLY 174 N -1.55 0.35 3.55 0.72 0.00 -1.26 -4.99 105.19 102.01 2w3m n GLY 174 Ca -0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 2w3m n GLY 174 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2w3m s ILE 175 N -1.89 4.87 0.04 -0.61 1.01 -0.21 -5.09 121.20 119.32 2w3m s ILE 175 Ca 0.00 0.01 -0.18 0.00 0.00 0.00 0.00 60.65 60.48 2w3m s ILE 175 Cb 0.00 -3.28 -0.06 0.00 0.01 0.00 0.00 42.46 39.13 2w3m s ILE 175 CO 0.00 0.33 0.54 -0.54 0.00 0.00 0.00 174.94 175.26 2w3m s LYS 176 N 1.38 4.17 0.18 2.79 1.02 -1.26 -1.68 119.74 126.34 2w3m s LYS 176 Ca 0.06 0.66 -0.13 0.00 0.02 0.00 0.00 55.97 56.58 2w3m s LYS 176 Cb -0.15 -3.26 0.01 0.00 -0.52 0.00 0.00 37.83 33.91 2w3m s LYS 176 CO 0.06 0.59 0.40 1.52 -0.92 0.00 0.00 175.35 177.00 2w3m s TYR 177 N -0.89 0.16 -0.09 3.18 -0.85 -0.40 -0.94 117.35 117.53 2w3m s TYR 177 Ca 0.28 -0.52 -0.15 0.00 -0.52 0.00 0.00 57.07 56.16 2w3m s TYR 177 Cb -0.19 0.16 0.03 0.00 0.38 0.00 0.00 41.96 42.35 2w3m s TYR 177 CO 0.17 -0.82 0.37 -1.59 -1.52 0.00 0.00 175.55 172.16 2w3m s LYS 178 N -3.93 0.57 -0.16 -3.49 -2.85 -0.58 -0.23 119.74 109.08 2w3m s LYS 178 Ca 0.14 0.22 -0.26 0.00 -1.00 0.00 0.00 55.97 55.07 2w3m s LYS 178 Cb 0.01 0.27 -0.01 0.00 -2.06 0.00 0.00 37.83 36.03 2w3m s LYS 178 CO -0.01 -0.12 0.86 -0.06 0.10 0.00 0.00 175.35 176.12 2w3m s PHE 179 N -0.50 3.44 0.12 1.78 0.08 -1.26 -1.08 117.98 120.56 2w3m s PHE 179 Ca -0.06 1.31 0.09 0.00 0.12 0.00 0.00 56.93 58.39 2w3m s PHE 179 Cb -0.04 -3.04 -0.04 0.00 -0.57 0.00 0.00 43.02 39.34 2w3m s PHE 179 CO 0.03 -0.23 -0.19 -1.21 -0.10 0.00 0.00 175.22 173.52 2w3m s GLU 180 N 2.10 1.75 -0.10 0.44 2.02 -0.13 -4.82 118.70 119.95 2w3m s GLU 180 Ca 0.40 -1.21 0.01 0.00 0.02 0.00 0.00 54.97 54.19 2w3m s GLU 180 Cb -0.17 -2.09 0.02 0.00 0.10 0.00 0.00 34.13 31.99 2w3m s GLU 180 CO 0.13 0.47 -0.11 0.08 0.02 0.00 0.00 175.26 175.86 2w3m s VAL 181 N -1.17 1.19 0.14 2.63 1.01 -1.26 -1.12 120.40 121.82 2w3m s VAL 181 Ca 0.18 -0.43 0.06 0.00 0.00 0.00 0.00 61.98 61.79 2w3m s VAL 181 Cb -0.10 -1.15 -0.04 0.00 0.00 0.00 0.00 36.38 35.09 2w3m s VAL 181 CO 0.10 0.39 0.02 -0.31 0.00 0.00 0.00 175.10 175.29 2w3m s TYR 182 N 1.30 2.94 -0.04 5.22 1.51 -0.19 -1.04 117.35 127.05 2w3m s TYR 182 Ca -0.02 -0.08 -0.06 0.00 -1.01 0.00 0.00 57.07 55.90 2w3m s TYR 182 Cb -0.14 -1.46 0.01 0.00 -0.11 0.00 0.00 41.96 40.27 2w3m s TYR 182 CO -0.05 0.50 0.15 -2.00 -1.11 0.00 0.00 175.55 173.05 2w3m s GLU 183 N -2.73 0.27 0.10 -0.62 2.12 -0.55 -0.98 118.70 116.31 2w3m s GLU 183 Ca 0.27 0.04 0.06 0.00 0.36 0.00 0.00 54.97 55.70 2w3m s GLU 183 Cb -0.10 0.12 -0.03 0.00 0.26 0.00 0.00 34.13 34.37 2w3m s GLU 183 CO 0.19 -0.05 -0.15 -1.59 -0.54 0.00 0.00 175.26 173.13 2w3m s LYS 184 N -0.33 0.93 -0.04 4.30 -2.85 -0.48 -1.49 119.74 119.77 2w3m s LYS 184 Ca -0.04 -1.10 0.17 0.00 -1.00 0.00 0.00 55.97 54.00 2w3m s LYS 184 Cb -0.03 -0.90 -0.26 0.00 -2.06 0.00 0.00 37.83 34.58 2w3m s LYS 184 CO 0.01 0.19 0.34 0.09 0.10 0.00 0.00 175.35 176.07 2w3m n ASN 185 N 0.94 1.06 0.00 0.03 3.02 -1.26 -1.75 115.26 117.30 2w3m n ASN 185 Ca -0.19 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.36 2w3m n ASN 185 Cb 0.55 1.67 0.00 0.00 -0.61 0.00 0.00 39.78 41.39 2w3m n ASN 185 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11