#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2o6t n MET 1 N 0.00 0.00 -1.90 -1.40 2.81 -1.26 -5.10 117.12 110.28 2o6t n MET 1 Ca 0.00 0.00 -0.38 0.00 -1.81 0.00 0.00 57.70 55.51 2o6t n MET 1 Cb 0.00 0.00 0.03 0.00 -0.71 0.00 0.00 33.22 32.54 2o6t n MET 1 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2o6t s ALA 2 N -2.00 2.91 -0.31 3.04 0.00 -0.52 -4.98 121.76 119.90 2o6t s ALA 2 Ca 0.00 1.26 0.06 0.00 0.00 0.00 0.00 51.96 53.27 2o6t s ALA 2 Cb 0.00 -3.53 -0.05 0.00 0.00 0.00 0.00 23.12 19.54 2o6t s ALA 2 CO 0.00 -1.18 0.28 0.25 0.00 0.00 0.00 175.76 175.11 2o6t n THR 3 N -0.78 0.00 -1.36 0.00 -2.24 -1.26 -4.83 114.28 103.81 2o6t n THR 3 Ca 0.09 -0.38 -0.44 0.00 -2.27 0.00 0.00 64.05 61.04 2o6t n THR 3 Cb 0.45 1.01 -0.01 0.00 -2.10 0.00 0.00 70.33 69.68 2o6t n THR 3 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2o6t n ALA 4 N -0.99 -2.71 -1.77 6.98 0.00 -1.26 -4.92 120.51 115.83 2o6t n ALA 4 Ca 0.01 0.25 -0.39 0.00 0.00 0.00 0.00 53.44 53.31 2o6t n ALA 4 Cb 0.09 -1.57 0.01 0.00 0.00 0.00 0.00 19.45 17.97 2o6t n ALA 4 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2o6t s PRO 5 N -1.08 3.83 0.05 0.00 0.04 -1.26 -4.96 135.00 131.62 2o6t s PRO 5 Ca 0.61 2.25 -0.30 0.00 0.04 0.00 0.00 61.00 63.60 2o6t s PRO 5 Cb -0.75 -2.69 -0.05 0.00 0.04 0.00 0.00 34.50 31.05 2o6t s PRO 5 CO 0.60 -0.64 1.14 1.03 0.04 0.00 0.00 177.00 179.16 2o6t s ARG 6 N -2.36 4.47 0.66 4.56 0.52 -1.26 -5.04 118.95 120.50 2o6t s ARG 6 Ca 0.59 1.68 -0.16 0.00 -0.52 0.00 0.00 55.73 57.32 2o6t s ARG 6 Cb -0.40 -3.38 0.00 0.00 0.52 0.00 0.00 34.95 31.70 2o6t s ARG 6 CO 0.51 -0.20 1.16 -2.14 0.02 0.00 0.00 175.30 174.65 2o6t s PRO 7 N 1.04 2.65 0.18 3.54 0.02 -1.26 -4.94 135.00 136.23 2o6t s PRO 7 Ca 0.57 1.62 0.06 0.00 0.02 0.00 0.00 61.00 63.26 2o6t s PRO 7 Cb -0.27 -1.91 -0.04 0.00 0.02 0.00 0.00 34.50 32.30 2o6t s PRO 7 CO 0.29 -1.41 0.11 -0.51 -0.33 0.00 0.00 177.00 175.16 2o6t s LEU 8 N -4.72 3.69 0.53 -5.54 1.43 -1.26 -3.30 118.68 109.51 2o6t s LEU 8 Ca 0.72 -0.22 0.33 0.00 -1.03 0.00 0.00 54.13 53.93 2o6t s LEU 8 Cb -0.25 -2.29 1.27 0.00 0.03 0.00 0.00 46.19 44.94 2o6t s LEU 8 CO 0.40 0.05 1.95 0.08 0.23 0.00 0.00 176.35 179.06 2o6t h ARG 9 N 2.31 0.00 0.00 1.70 0.11 -1.96 -1.73 114.38 114.81 2o6t h ARG 9 Ca -0.48 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.60 2o6t h ARG 9 Cb 1.21 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.29 2o6t h ARG 9 CO 0.62 0.00 -0.03 1.05 0.10 0.00 0.00 179.97 181.70 2o6t h GLU 10 N 0.00 0.00 0.00 0.08 9.09 -1.96 0.14 114.58 121.93 2o6t h GLU 10 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 2o6t h GLU 10 Cb 0.55 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.65 2o6t h GLU 10 CO 0.00 0.03 0.00 1.04 0.05 0.00 0.00 179.01 180.13 2o6t n GLN 11 N -3.21 0.16 -4.19 1.06 6.02 -0.65 -4.76 117.38 111.81 2o6t n GLN 11 Ca -0.01 0.52 -0.29 0.00 -0.01 0.00 0.00 57.00 57.20 2o6t n GLN 11 Cb 0.22 -1.89 -0.09 0.00 1.02 0.00 0.00 30.24 29.50 2o6t n GLN 11 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 2o6t s TYR 12 N -3.40 2.84 -0.15 1.08 1.51 0.48 -4.84 117.35 114.87 2o6t s TYR 12 Ca 0.01 -0.11 0.16 0.00 -1.01 0.00 0.00 57.07 56.12 2o6t s TYR 12 Cb 0.08 -1.46 -0.22 0.00 -0.11 0.00 0.00 41.96 40.25 2o6t s TYR 12 CO 0.29 0.46 0.10 1.28 -1.11 0.00 0.00 175.55 176.57 2o6t n LEU 13 N 0.53 0.00 -4.04 -1.29 7.99 0.20 -4.87 117.00 115.52 2o6t n LEU 13 Ca -0.12 0.00 -0.19 0.00 -0.01 0.00 0.00 56.01 55.69 2o6t n LEU 13 Cb 0.53 0.38 -0.15 0.00 -0.11 0.00 0.00 43.42 44.06 2o6t n LEU 13 CO 0.36 0.38 -0.44 -2.28 -1.51 0.00 0.00 177.39 173.90 2o6t s HIS 14 N -2.51 0.90 0.00 -1.77 2.46 -0.63 -4.96 115.29 108.79 2o6t s HIS 14 Ca -0.08 -0.17 0.08 0.00 0.47 0.00 0.00 55.06 55.35 2o6t s HIS 14 Cb 0.06 -0.58 -0.02 0.00 -0.13 0.00 0.00 32.58 31.90 2o6t s HIS 14 CO 0.71 -0.02 -0.24 -0.06 -2.47 0.00 0.00 174.74 172.66 2o6t s PHE 15 N -0.20 2.40 -0.08 3.88 0.40 -1.26 0.17 117.98 123.30 2o6t s PHE 15 Ca 0.03 -0.37 -0.02 0.00 -0.60 0.00 0.00 56.93 55.97 2o6t s PHE 15 Cb -0.04 -1.48 0.03 0.00 0.51 0.00 0.00 43.02 42.04 2o6t s PHE 15 CO -0.00 0.07 0.04 -1.14 0.70 0.00 0.00 175.22 174.89 2o6t s GLN 16 N -0.90 0.24 0.51 0.44 0.74 0.22 -4.97 119.66 115.93 2o6t s GLN 16 Ca 0.11 0.17 -0.22 0.00 0.05 0.00 0.00 55.36 55.48 2o6t s GLN 16 Cb -0.10 -0.94 -0.06 0.00 1.10 0.00 0.00 33.01 33.01 2o6t s GLN 16 CO 0.01 -0.38 1.23 -1.25 -0.55 0.00 0.00 175.29 174.35 2o6t s PRO 17 N 2.07 3.46 -0.10 1.67 0.04 -1.26 -0.65 135.00 140.22 2o6t s PRO 17 Ca 0.04 1.92 -0.04 0.00 0.04 0.00 0.00 61.00 62.96 2o6t s PRO 17 Cb -0.13 -2.29 0.05 0.00 0.04 0.00 0.00 34.50 32.18 2o6t s PRO 17 CO -0.05 -0.84 0.21 0.42 0.04 0.00 0.00 177.00 176.78 2o6t s ILE 18 N -1.48 -0.26 0.24 0.56 1.01 -0.58 -4.88 121.20 115.81 2o6t s ILE 18 Ca 0.68 0.28 -0.30 0.00 0.00 0.00 0.00 60.65 61.31 2o6t s ILE 18 Cb -0.32 -0.35 -0.09 0.00 0.01 0.00 0.00 42.46 41.70 2o6t s ILE 18 CO 0.38 0.12 1.06 -0.94 0.00 0.00 0.00 174.94 175.56 2o6t s SER 19 N 2.06 7.37 0.45 3.58 1.04 -1.26 -3.87 113.70 123.07 2o6t s SER 19 Ca -0.01 2.14 -0.21 0.00 0.48 0.00 0.00 55.95 58.35 2o6t s SER 19 Cb -0.12 -2.62 -0.10 0.00 0.10 0.00 0.00 66.02 63.29 2o6t s SER 19 CO -0.07 -0.09 1.00 0.42 0.98 0.00 0.00 173.24 175.48 2o6t s THR 20 N -0.91 4.06 0.15 2.02 -4.23 -1.26 -5.05 115.64 110.42 2o6t s THR 20 Ca 0.45 1.32 0.09 0.00 -1.18 0.00 0.00 61.69 62.37 2o6t s THR 20 Cb -0.30 -3.56 -0.04 0.00 1.34 0.00 0.00 72.50 69.95 2o6t s THR 20 CO 0.37 -0.24 -0.15 -0.13 -0.54 0.00 0.00 174.62 173.93 2o6t s ARG 21 N -3.10 1.88 0.21 3.99 0.52 -1.26 -4.96 118.95 116.23 2o6t s ARG 21 Ca 0.64 -1.24 -0.20 0.00 -0.52 0.00 0.00 55.73 54.41 2o6t s ARG 21 Cb -0.14 -2.12 0.18 0.00 0.52 0.00 0.00 34.95 33.40 2o6t s ARG 21 CO 0.18 0.46 1.55 2.35 0.02 0.00 0.00 175.30 179.86 2o6t h TRP 22 N 3.37 -1.21 -0.10 -0.53 2.91 -1.98 0.27 115.95 118.70 2o6t h TRP 22 Ca -0.48 0.11 0.00 0.00 1.13 0.00 0.00 58.89 59.64 2o6t h TRP 22 Cb 1.19 0.67 0.00 0.00 -0.51 0.00 0.00 29.16 30.50 2o6t h TRP 22 CO 0.63 -0.40 0.00 1.58 -1.03 0.00 0.00 178.44 179.22 2o6t n HIS 23 N -5.44 0.26 -0.19 2.65 -0.00 -1.26 -3.27 115.22 107.98 2o6t n HIS 23 Ca 0.08 -0.10 -0.10 0.00 0.46 0.00 0.00 57.72 58.06 2o6t n HIS 23 Cb 0.38 -0.10 0.01 0.00 -0.12 0.00 0.00 29.99 30.15 2o6t n HIS 23 CO 0.00 0.00 0.00 -0.44 0.46 0.00 0.00 176.34 176.36 2o6t h ASP 24 N 0.62 1.03 -3.88 0.26 3.32 -0.84 -3.43 116.42 113.49 2o6t h ASP 24 Ca 0.00 -0.35 -0.52 0.00 0.02 0.00 0.00 57.03 56.18 2o6t h ASP 24 Cb 0.52 -0.28 0.06 0.00 0.22 0.00 0.00 39.33 39.85 2o6t h ASP 24 CO 0.05 1.14 0.60 0.20 -1.72 0.00 0.00 179.24 179.51 2o6t s ASN 25 N -6.63 6.76 0.17 6.45 0.01 -1.20 -1.95 114.94 118.55 2o6t s ASN 25 Ca -0.12 2.59 0.02 0.00 -0.71 0.00 0.00 52.86 54.65 2o6t s ASN 25 Cb 0.13 -2.64 0.02 0.00 0.41 0.00 0.00 41.25 39.17 2o6t s ASN 25 CO 0.86 -0.53 0.19 -0.90 -1.51 0.00 0.00 177.10 175.21 2o6t n ASP 26 N 0.69 0.99 0.18 -1.22 5.68 -0.69 -4.83 116.55 117.35 2o6t n ASP 26 Ca 0.01 -1.51 0.19 0.00 -0.50 0.00 0.00 54.79 52.98 2o6t n ASP 26 Cb 0.43 -0.08 0.80 0.00 -1.14 0.00 0.00 41.12 41.13 2o6t n ASP 26 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 2o6t h ILE 27 N 0.24 0.33 -0.02 2.12 2.10 -1.97 0.94 117.51 121.25 2o6t h ILE 27 Ca -0.09 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.85 2o6t h ILE 27 Cb 0.38 0.72 0.00 0.00 -1.09 0.00 0.00 36.82 36.83 2o6t h ILE 27 CO 0.14 0.00 0.00 -1.22 -1.08 0.00 0.00 178.15 175.99 2o6t n TYR 28 N -3.58 0.01 -0.03 2.19 4.01 -1.26 -4.96 117.16 113.54 2o6t n TYR 28 Ca 0.04 -0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.77 2o6t n TYR 28 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.50 2o6t n TYR 28 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2o6t n GLY 29 N 1.20 0.34 3.64 2.72 0.00 0.33 -5.06 105.19 108.35 2o6t n GLY 29 Ca 0.18 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.93 2o6t n GLY 29 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2o6t s HIS 30 N -2.09 2.53 0.07 1.61 3.76 -1.26 -4.77 115.29 115.15 2o6t s HIS 30 Ca 0.00 -0.65 -0.32 0.00 -0.15 0.00 0.00 55.06 53.94 2o6t s HIS 30 Cb 0.00 -1.80 -0.11 0.00 1.11 0.00 0.00 32.58 31.78 2o6t s HIS 30 CO 0.00 0.40 1.82 0.28 -0.85 0.00 0.00 174.74 176.39 2o6t n VAL 31 N -1.01 0.39 -1.80 -0.90 0.31 0.13 -1.70 118.33 113.75 2o6t n VAL 31 Ca -0.04 -0.07 -0.39 0.00 -0.01 0.00 0.00 64.34 63.83 2o6t n VAL 31 Cb 0.66 -1.97 0.03 0.00 -0.91 0.00 0.00 33.84 31.66 2o6t n VAL 31 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 2o6t s ASN 32 N 2.90 5.44 0.46 4.52 3.84 -0.82 -4.83 114.94 126.45 2o6t s ASN 32 Ca 0.85 2.79 0.14 0.00 0.21 0.00 0.00 52.86 56.84 2o6t s ASN 32 Cb -0.57 -2.64 1.08 0.00 -0.55 0.00 0.00 41.25 38.57 2o6t s ASN 32 CO 0.41 -1.46 2.05 -0.55 -2.79 0.00 0.00 177.10 174.77 2o6t h ASN 33 N 1.68 0.26 -0.25 -4.21 -1.07 -1.92 -1.75 115.58 108.32 2o6t h ASN 33 Ca -0.51 -0.00 -0.10 0.00 0.07 0.00 0.00 56.30 55.76 2o6t h ASN 33 Cb 1.29 -0.06 -0.02 0.00 -2.07 0.00 0.00 38.32 37.47 2o6t h ASN 33 CO 0.58 0.18 -0.18 0.58 0.07 0.00 0.00 177.43 178.66 2o6t h VAL 34 N 0.30 1.26 0.00 6.14 2.07 -1.98 -3.06 116.25 120.98 2o6t h VAL 34 Ca 0.17 -1.23 -0.01 0.00 0.82 0.00 0.00 66.70 66.45 2o6t h VAL 34 Cb 0.27 1.17 -0.00 0.00 -1.52 0.00 0.00 31.29 31.21 2o6t h VAL 34 CO -0.04 0.41 -0.04 0.74 0.02 0.00 0.00 177.57 178.67 2o6t h THR 35 N 0.61 0.98 -0.41 2.57 2.02 -1.69 -1.84 112.91 115.16 2o6t h THR 35 Ca 0.10 -0.13 0.02 0.00 0.77 0.00 0.00 66.41 67.17 2o6t h THR 35 Cb 0.64 1.07 -0.02 0.00 -1.74 0.00 0.00 68.15 68.10 2o6t h THR 35 CO 0.05 0.04 0.27 1.88 0.37 0.00 0.00 175.52 178.13 2o6t h TYR 36 N 0.00 0.45 -0.01 3.16 -1.99 -1.64 -0.56 116.97 116.37 2o6t h TYR 36 Ca -0.00 0.01 -0.16 0.00 2.00 0.00 0.00 58.73 60.58 2o6t h TYR 36 Cb 0.07 -0.15 -0.02 0.00 2.00 0.00 0.00 36.73 38.63 2o6t h TYR 36 CO 0.00 0.27 -0.74 1.88 -0.00 0.00 0.00 178.16 179.57 2o6t h TYR 37 N 0.47 0.12 -0.16 4.88 -1.99 -1.52 0.21 116.97 118.98 2o6t h TYR 37 Ca 0.16 -0.06 -0.13 0.00 2.00 0.00 0.00 58.73 60.70 2o6t h TYR 37 Cb 0.07 -0.02 -0.01 0.00 2.00 0.00 0.00 36.73 38.78 2o6t h TYR 37 CO -0.00 0.79 -0.46 0.00 -0.00 0.00 0.00 178.16 178.49 2o6t h ALA 38 N 1.19 0.92 -0.71 3.88 0.00 -1.28 -0.95 119.26 122.31 2o6t h ALA 38 Ca -0.02 -0.46 -0.06 0.00 0.00 0.00 0.00 54.91 54.38 2o6t h ALA 38 Cb 1.30 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 2o6t h ALA 38 CO 0.10 0.65 0.22 0.74 0.00 0.00 0.00 179.25 180.96 2o6t h PHE 39 N 0.32 1.14 -0.00 0.00 0.04 -0.07 -0.68 116.94 117.68 2o6t h PHE 39 Ca 0.02 -0.11 0.00 0.00 2.80 0.00 0.00 57.97 60.68 2o6t h PHE 39 Cb 0.93 -0.33 -0.00 0.00 2.20 0.00 0.00 35.95 38.75 2o6t h PHE 39 CO 0.03 0.91 -0.02 0.74 -0.60 0.00 0.00 178.31 179.37 2o6t h PHE 40 N 1.04 -0.05 -0.98 -0.55 -1.00 -0.15 0.05 116.94 115.31 2o6t h PHE 40 Ca 0.23 0.00 0.01 0.00 2.81 0.00 0.00 57.97 61.02 2o6t h PHE 40 Cb 0.30 0.02 -0.05 0.00 3.61 0.00 0.00 35.95 39.84 2o6t h PHE 40 CO 0.02 -0.03 0.63 0.22 -1.61 0.00 0.00 178.31 177.55 2o6t h ASP 41 N -0.03 1.13 -0.11 2.17 3.58 -1.14 -1.53 116.42 120.49 2o6t h ASP 41 Ca 0.01 -0.04 -0.03 0.00 0.42 0.00 0.00 57.03 57.39 2o6t h ASP 41 Cb 0.05 -0.28 -0.00 0.00 1.72 0.00 0.00 39.33 40.81 2o6t h ASP 41 CO -0.02 0.83 -0.05 0.74 -2.88 0.00 0.00 179.24 177.86 2o6t h THR 42 N 1.33 1.32 0.03 2.25 2.02 -0.81 -2.60 112.91 116.45 2o6t h THR 42 Ca 0.36 -1.08 0.01 0.00 0.77 0.00 0.00 66.41 66.47 2o6t h THR 42 Cb -0.13 1.80 -0.01 0.00 -1.74 0.00 0.00 68.15 68.07 2o6t h THR 42 CO -0.07 0.31 -0.05 0.00 0.37 0.00 0.00 175.52 176.07 2o6t h ALA 43 N 0.65 -0.08 0.29 6.16 0.00 -0.74 -2.10 119.26 123.44 2o6t h ALA 43 Ca 0.03 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2o6t h ALA 43 Cb 0.51 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2o6t h ALA 43 CO 0.02 -0.56 -0.21 0.28 0.00 0.00 0.00 179.25 178.78 2o6t h VAL 44 N -0.11 0.55 -0.58 0.00 2.07 -1.33 -2.80 116.25 114.04 2o6t h VAL 44 Ca 0.01 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.44 2o6t h VAL 44 Cb 0.12 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 2o6t h VAL 44 CO -0.04 0.00 0.00 0.78 0.02 0.00 0.00 177.57 178.34 2o6t h ASN 45 N -0.50 0.98 -0.78 0.57 2.35 -1.44 -0.27 115.58 116.49 2o6t h ASN 45 Ca -0.02 -0.27 0.05 0.00 -0.55 0.00 0.00 56.30 55.51 2o6t h ASN 45 Cb 0.43 -0.26 -0.05 0.00 0.05 0.00 0.00 38.32 38.49 2o6t h ASN 45 CO 0.00 1.03 0.48 0.74 -1.65 0.00 0.00 177.43 178.03 2o6t h THR 46 N 0.92 1.06 0.07 2.81 2.02 -1.36 0.31 112.91 118.74 2o6t h THR 46 Ca 0.17 -0.31 -0.00 0.00 0.77 0.00 0.00 66.41 67.03 2o6t h THR 46 Cb 0.53 0.08 0.00 0.00 -1.74 0.00 0.00 68.15 67.02 2o6t h THR 46 CO 0.03 0.16 -0.03 0.22 0.37 0.00 0.00 175.52 176.27 2o6t h TYR 47 N 0.90 -0.09 -0.96 3.16 3.20 -1.16 0.17 116.97 122.20 2o6t h TYR 47 Ca 0.33 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.24 2o6t h TYR 47 Cb 0.10 0.03 -0.06 0.00 1.54 0.00 0.00 36.73 38.34 2o6t h TYR 47 CO -0.04 0.08 0.62 -0.07 -1.64 0.00 0.00 178.16 177.11 2o6t h LEU 48 N -0.25 1.01 0.15 2.82 3.38 -0.33 0.12 115.31 122.21 2o6t h LEU 48 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2o6t h LEU 48 Cb 0.21 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2o6t h LEU 48 CO 0.02 0.67 -0.07 0.40 0.09 0.00 0.00 178.44 179.54 2o6t h ILE 49 N 1.16 0.98 -0.01 1.22 2.04 -0.34 -2.16 117.51 120.40 2o6t h ILE 49 Ca 0.40 -0.61 -0.20 0.00 1.00 0.00 0.00 64.86 65.44 2o6t h ILE 49 Cb 0.08 1.35 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 2o6t h ILE 49 CO -0.15 0.14 -0.86 -0.33 0.00 0.00 0.00 178.15 176.95 2o6t h GLU 50 N -0.50 0.26 0.00 2.37 5.08 -0.42 -3.07 114.58 118.30 2o6t h GLU 50 Ca -0.02 -0.27 -0.08 0.00 -1.00 0.00 0.00 59.36 57.99 2o6t h GLU 50 Cb 0.39 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 2o6t h GLU 50 CO 0.03 0.98 -1.54 0.54 -1.00 0.00 0.00 179.01 178.02 2o6t n ARG 51 N -3.70 1.32 -0.08 2.33 5.12 0.39 -4.67 116.66 117.36 2o6t n ARG 51 Ca -0.04 -0.05 0.07 0.00 -1.93 0.00 0.00 57.85 55.90 2o6t n ARG 51 Cb 0.79 -1.24 0.11 0.00 -1.16 0.00 0.00 32.46 30.96 2o6t n ARG 51 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2o6t n GLY 52 N 2.16 0.98 2.29 -0.13 0.00 -0.87 -4.68 105.19 104.95 2o6t n GLY 52 Ca -0.08 -0.43 -0.06 0.00 0.00 0.00 0.00 46.02 45.45 2o6t n GLY 52 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2o6t n GLY 53 N 0.78 0.79 3.66 -0.02 0.00 -0.93 -3.17 105.19 106.31 2o6t n GLY 53 Ca 0.11 -0.45 -0.49 0.00 0.00 0.00 0.00 46.02 45.18 2o6t n GLY 53 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2o6t n LEU 54 N -0.64 2.76 -4.19 0.99 7.94 -0.88 -4.95 117.00 118.04 2o6t n LEU 54 Ca -0.06 1.07 -0.40 0.00 -1.11 0.00 0.00 56.01 55.51 2o6t n LEU 54 Cb 0.25 -1.34 -0.08 0.00 0.53 0.00 0.00 43.42 42.78 2o6t n LEU 54 CO 0.09 -0.43 0.06 -0.62 -1.11 0.00 0.00 177.39 175.37 2o6t s ASP 55 N 1.67 5.69 0.42 1.96 2.15 -1.26 -4.59 116.67 122.71 2o6t s ASP 55 Ca 0.85 -2.34 0.23 0.00 0.43 0.00 0.00 52.55 51.71 2o6t s ASP 55 Cb -0.78 -1.98 0.75 0.00 -0.30 0.00 0.00 42.92 40.61 2o6t s ASP 55 CO 0.45 -0.56 1.75 0.16 -0.17 0.00 0.00 175.17 176.80 2o6t h ILE 56 N 5.67 0.50 0.17 4.11 3.07 -1.92 0.16 117.51 129.27 2o6t h ILE 56 Ca -0.09 -1.25 -0.27 0.00 1.55 0.00 0.00 64.86 64.80 2o6t h ILE 56 Cb 1.03 1.89 0.03 0.00 -0.27 0.00 0.00 36.82 39.49 2o6t h ILE 56 CO 0.78 0.22 -1.16 1.56 -1.05 0.00 0.00 178.15 178.51 2o6t h GLN 57 N 0.00 0.48 0.00 0.16 1.08 -2.02 -3.41 115.11 111.40 2o6t h GLN 57 Ca -0.00 -0.75 0.00 0.00 -1.45 0.00 0.00 58.65 56.45 2o6t h GLN 57 Cb 0.87 0.27 0.00 0.00 -0.05 0.00 0.00 27.48 28.56 2o6t h GLN 57 CO 0.03 1.34 0.00 0.41 -0.95 0.00 0.00 178.83 179.66 2o6t n GLY 58 N 1.57 0.85 3.74 3.46 0.00 -1.23 -5.09 105.19 108.50 2o6t n GLY 58 Ca -0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.53 2o6t n GLY 58 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2o6t s GLY 59 N -0.05 2.46 0.05 -0.02 0.00 0.56 -4.93 107.32 105.39 2o6t s GLY 59 Ca 0.00 0.86 0.22 0.00 0.00 0.00 0.00 44.72 45.81 2o6t s GLY 59 CO 0.00 1.25 0.88 1.18 0.00 0.00 0.00 173.10 176.41 2o6t n GLU 60 N -2.20 0.41 -4.53 2.90 1.02 -1.26 -4.79 120.64 112.18 2o6t n GLU 60 Ca 0.13 -0.03 -0.33 0.00 -0.02 0.00 0.00 57.16 56.91 2o6t n GLU 60 Cb 0.50 -1.60 -0.16 0.00 -0.02 0.00 0.00 31.44 30.16 2o6t n GLU 60 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2o6t s VAL 61 N -3.29 2.21 0.32 2.62 1.01 -1.26 -1.46 120.40 120.55 2o6t s VAL 61 Ca 0.00 -0.92 0.10 0.00 0.00 0.00 0.00 61.98 61.16 2o6t s VAL 61 Cb 0.14 -1.91 -0.06 0.00 0.00 0.00 0.00 36.38 34.55 2o6t s VAL 61 CO 0.83 0.54 -0.12 0.27 0.00 0.00 0.00 175.10 176.62 2o6t s ILE 62 N 0.91 2.22 -0.30 2.22 -4.36 -0.19 -4.87 121.20 116.83 2o6t s ILE 62 Ca -0.04 -2.25 -0.10 0.00 -0.26 0.00 0.00 60.65 58.00 2o6t s ILE 62 Cb -0.15 -2.51 -0.02 0.00 1.25 0.00 0.00 42.46 41.02 2o6t s ILE 62 CO -0.03 -0.28 0.16 -0.83 0.24 0.00 0.00 174.94 174.20 2o6t s GLY 63 N -3.55 1.88 -0.13 6.27 0.00 -1.26 -0.73 107.32 109.79 2o6t s GLY 63 Ca 0.31 -1.26 -0.09 0.00 0.00 0.00 0.00 44.72 43.68 2o6t s GLY 63 CO 0.15 0.67 0.19 1.08 0.00 0.00 0.00 173.10 175.18 2o6t s LEU 64 N 1.67 4.34 -0.11 0.66 1.43 -0.46 -4.92 118.68 121.29 2o6t s LEU 64 Ca 0.06 0.47 -0.27 0.00 -1.03 0.00 0.00 54.13 53.36 2o6t s LEU 64 Cb -0.16 -2.17 -0.02 0.00 0.03 0.00 0.00 46.19 43.87 2o6t s LEU 64 CO 0.08 0.30 0.87 -0.69 0.23 0.00 0.00 176.35 177.15 2o6t s VAL 65 N -0.50 4.88 -0.03 -1.59 1.01 -1.26 -0.48 120.40 122.43 2o6t s VAL 65 Ca 0.14 1.77 0.08 0.00 0.00 0.00 0.00 61.98 63.97 2o6t s VAL 65 Cb -0.12 -4.19 -0.12 0.00 0.00 0.00 0.00 36.38 31.95 2o6t s VAL 65 CO 0.03 0.08 0.14 1.33 0.00 0.00 0.00 175.10 176.68 2o6t n VAL 66 N 4.40 0.14 -3.45 2.92 0.24 -0.95 -4.99 118.33 116.65 2o6t n VAL 66 Ca 0.05 -0.23 -0.14 0.00 -2.04 0.00 0.00 64.34 61.99 2o6t n VAL 66 Cb 0.50 0.01 -0.03 0.00 -1.47 0.00 0.00 33.84 32.84 2o6t n VAL 66 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2o6t s SER 67 N -3.22 -0.59 0.14 -1.34 1.04 -1.25 -5.01 113.70 103.47 2o6t s SER 67 Ca -0.03 0.22 -0.24 0.00 0.48 0.00 0.00 55.95 56.38 2o6t s SER 67 Cb 0.04 0.57 0.07 0.00 0.10 0.00 0.00 66.02 66.81 2o6t s SER 67 CO 0.33 -0.85 0.61 -0.94 0.98 0.00 0.00 173.24 173.37 2o6t s SER 68 N -2.26 -0.58 0.10 7.02 1.04 -1.26 -1.21 113.70 116.56 2o6t s SER 68 Ca -0.03 0.06 -0.19 0.00 0.48 0.00 0.00 55.95 56.27 2o6t s SER 68 Cb -0.01 0.59 0.05 0.00 0.10 0.00 0.00 66.02 66.75 2o6t s SER 68 CO -0.06 -0.94 0.46 -0.94 0.98 0.00 0.00 173.24 172.75 2o6t s SER 69 N -2.62 -0.35 -0.11 7.02 1.04 0.17 -4.97 113.70 113.87 2o6t s SER 69 Ca 0.00 -0.11 -0.12 0.00 0.48 0.00 0.00 55.95 56.20 2o6t s SER 69 Cb -0.01 0.49 0.03 0.00 0.10 0.00 0.00 66.02 66.64 2o6t s SER 69 CO -0.11 -0.82 0.32 0.00 0.98 0.00 0.00 173.24 173.61 2o6t s ASP 71 N 0.05 3.58 -0.20 0.00 1.11 0.25 -4.99 116.67 116.47 2o6t s ASP 71 Ca -0.01 -0.34 -0.04 0.00 0.18 0.00 0.00 52.55 52.34 2o6t s ASP 71 Cb -0.03 -0.78 -0.02 0.00 1.07 0.00 0.00 42.92 43.17 2o6t s ASP 71 CO 0.01 0.30 -0.03 -0.31 1.18 0.00 0.00 175.17 176.32 2o6t s TYR 72 N -0.49 2.98 -0.21 4.23 1.51 -1.26 -1.54 117.35 122.58 2o6t s TYR 72 Ca 0.06 -0.69 0.02 0.00 -1.01 0.00 0.00 57.07 55.45 2o6t s TYR 72 Cb -0.12 -2.08 -0.14 0.00 -0.11 0.00 0.00 41.96 39.52 2o6t s TYR 72 CO 0.01 -0.38 -0.18 1.19 -1.11 0.00 0.00 175.55 175.08 2o6t n PHE 73 N 4.45 0.00 -3.66 2.71 3.01 0.19 -1.44 117.46 122.73 2o6t n PHE 73 Ca -0.18 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.14 2o6t n PHE 73 Cb 0.51 -0.79 -0.08 0.00 -0.01 0.00 0.00 39.48 39.11 2o6t n PHE 73 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2o6t s ALA 74 N -2.41 -1.37 0.54 4.37 0.00 -0.84 -4.12 121.76 117.93 2o6t s ALA 74 Ca -0.27 1.30 -0.17 0.00 0.00 0.00 0.00 51.96 52.82 2o6t s ALA 74 Cb 0.07 -0.54 -0.06 0.00 0.00 0.00 0.00 23.12 22.59 2o6t s ALA 74 CO 0.48 -0.29 1.03 -1.25 0.00 0.00 0.00 175.76 175.73 2o6t s PRO 75 N -0.32 3.65 0.42 0.00 0.04 -1.26 -4.66 135.00 132.86 2o6t s PRO 75 Ca -0.05 1.16 0.06 0.00 0.04 0.00 0.00 61.00 62.21 2o6t s PRO 75 Cb -0.03 -2.08 -0.07 0.00 0.04 0.00 0.00 34.50 32.36 2o6t s PRO 75 CO 0.03 -0.54 0.01 0.14 0.04 0.00 0.00 177.00 176.69 2o6t s VAL 76 N -2.38 1.77 -0.03 -0.36 -7.23 -1.26 -5.02 120.40 105.89 2o6t s VAL 76 Ca 0.63 -2.00 -0.09 0.00 -1.81 0.00 0.00 61.98 58.71 2o6t s VAL 76 Cb -0.14 -2.83 0.01 0.00 0.56 0.00 0.00 36.38 33.98 2o6t s VAL 76 CO 0.30 0.00 0.20 0.00 -0.31 0.00 0.00 175.10 175.29 2o6t s ALA 77 N -2.80 -0.49 0.40 1.32 0.00 -1.26 0.23 121.76 119.15 2o6t s ALA 77 Ca 0.30 0.19 -0.27 0.00 0.00 0.00 0.00 51.96 52.18 2o6t s ALA 77 Cb 0.08 -0.04 -0.10 0.00 0.00 0.00 0.00 23.12 23.07 2o6t s ALA 77 CO 0.15 -0.19 1.41 0.12 0.00 0.00 0.00 175.76 177.26 2o6t s PHE 78 N -0.93 2.64 -0.40 0.00 5.36 -1.26 0.11 117.98 123.50 2o6t s PHE 78 Ca -0.10 1.27 0.06 0.00 -0.96 0.00 0.00 56.93 57.20 2o6t s PHE 78 Cb -0.05 -3.89 0.65 0.00 -0.34 0.00 0.00 43.02 39.39 2o6t s PHE 78 CO 0.02 -2.68 1.83 -0.35 -1.46 0.00 0.00 175.22 172.58 2o6t n PRO 79 N 0.23 2.40 -0.96 10.12 -0.04 -1.26 -4.98 135.00 140.51 2o6t n PRO 79 Ca 0.03 -3.05 -0.33 0.00 -0.04 0.00 0.00 63.50 60.11 2o6t n PRO 79 Cb 0.41 -2.12 0.13 0.00 -0.04 0.00 0.00 33.50 31.88 2o6t n PRO 79 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2o6t n GLN 80 N -1.00 -0.04 -3.61 0.54 6.02 0.12 -4.82 117.38 114.58 2o6t n GLN 80 Ca 0.53 0.06 -0.36 0.00 -0.01 0.00 0.00 57.00 57.22 2o6t n GLN 80 Cb 1.53 -2.30 -0.08 0.00 1.02 0.00 0.00 30.24 30.41 2o6t n GLN 80 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2o6t s ARG 81 N -4.08 4.22 0.21 -1.09 0.52 -1.26 -4.21 118.95 113.25 2o6t s ARG 81 Ca 0.69 -0.04 0.08 0.00 -0.52 0.00 0.00 55.73 55.93 2o6t s ARG 81 Cb -0.27 -3.44 -0.05 0.00 0.52 0.00 0.00 34.95 31.72 2o6t s ARG 81 CO 0.55 0.24 -0.14 0.96 0.02 0.00 0.00 175.30 176.93 2o6t s ILE 82 N 0.51 1.73 -0.07 1.52 -5.25 -1.25 -0.49 121.20 117.88 2o6t s ILE 82 Ca 0.13 -2.21 -0.03 0.00 -0.99 0.00 0.00 60.65 57.55 2o6t s ILE 82 Cb -0.12 -2.06 0.04 0.00 2.95 0.00 0.00 42.46 43.28 2o6t s ILE 82 CO 0.02 -0.59 0.15 -0.70 -1.79 0.00 0.00 174.94 172.03 2o6t s GLU 83 N -3.65 0.06 -0.02 0.37 2.12 -0.24 -1.52 118.70 115.82 2o6t s GLU 83 Ca 0.23 0.47 -0.23 0.00 0.36 0.00 0.00 54.97 55.80 2o6t s GLU 83 Cb -0.01 -0.23 -0.05 0.00 0.26 0.00 0.00 34.13 34.11 2o6t s GLU 83 CO 0.07 -0.24 0.68 -1.64 -0.54 0.00 0.00 175.26 173.59 2o6t s MET 84 N 1.75 4.42 -0.03 4.30 -1.94 0.17 -0.63 119.30 127.34 2o6t s MET 84 Ca -0.03 0.87 -0.03 0.00 -1.71 0.00 0.00 55.69 54.79 2o6t s MET 84 Cb -0.12 -3.39 -0.04 0.00 2.01 0.00 0.00 34.83 33.29 2o6t s MET 84 CO -0.06 0.21 0.17 0.20 -0.01 0.00 0.00 175.02 175.53 2o6t s GLY 85 N 0.28 2.16 0.02 -0.03 0.00 -0.10 -0.61 107.32 109.04 2o6t s GLY 85 Ca 0.36 -0.75 0.02 0.00 0.00 0.00 0.00 44.72 44.35 2o6t s GLY 85 CO 0.19 -0.61 -0.08 -2.27 0.00 0.00 0.00 173.10 170.33 2o6t s LEU 86 N -1.77 2.11 0.00 0.66 2.96 0.13 -2.25 118.68 120.52 2o6t s LEU 86 Ca 0.25 -0.30 -0.11 0.00 -0.22 0.00 0.00 54.13 53.75 2o6t s LEU 86 Cb -0.12 -0.31 0.01 0.00 0.50 0.00 0.00 46.19 46.27 2o6t s LEU 86 CO 0.16 -0.02 0.22 -0.60 -1.32 0.00 0.00 176.35 174.78 2o6t s ARG 87 N -0.75 0.59 -0.23 1.98 3.52 -0.29 0.61 118.95 124.38 2o6t s ARG 87 Ca -0.02 -0.35 -0.11 0.00 -0.13 0.00 0.00 55.73 55.12 2o6t s ARG 87 Cb -0.06 0.25 -0.05 0.00 -1.56 0.00 0.00 34.95 33.54 2o6t s ARG 87 CO 0.00 -0.16 0.18 0.08 -0.81 0.00 0.00 175.30 174.59 2o6t s VAL 88 N -1.55 5.35 -0.12 7.11 1.01 -0.10 0.02 120.40 132.11 2o6t s VAL 88 Ca -0.13 0.23 0.20 0.00 0.00 0.00 0.00 61.98 62.28 2o6t s VAL 88 Cb -0.06 -3.52 -0.21 0.00 0.00 0.00 0.00 36.38 32.60 2o6t s VAL 88 CO 0.02 0.35 0.60 0.00 0.00 0.00 0.00 175.10 176.07 2o6t n ALA 89 N 4.18 2.27 -3.65 5.51 0.00 0.28 -4.08 120.51 125.03 2o6t n ALA 89 Ca -0.15 -0.63 -0.05 0.00 0.00 0.00 0.00 53.44 52.62 2o6t n ALA 89 Cb 0.52 -0.77 -0.06 0.00 0.00 0.00 0.00 19.45 19.14 2o6t n ALA 89 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2o6t s ARG 90 N -3.14 0.61 -0.17 0.00 3.52 -1.21 -4.99 118.95 113.57 2o6t s ARG 90 Ca -0.06 1.27 0.01 0.00 -0.13 0.00 0.00 55.73 56.82 2o6t s ARG 90 Cb 0.10 0.42 0.02 0.00 -1.56 0.00 0.00 34.95 33.93 2o6t s ARG 90 CO 0.85 -0.18 -0.18 -1.17 -0.81 0.00 0.00 175.30 173.81 2o6t s LEU 91 N 2.16 2.03 0.00 -0.88 2.96 -1.26 -1.73 118.68 121.95 2o6t s LEU 91 Ca -0.08 -0.61 0.02 0.00 -0.22 0.00 0.00 54.13 53.24 2o6t s LEU 91 Cb -0.08 -1.40 0.02 0.00 0.50 0.00 0.00 46.19 45.22 2o6t s LEU 91 CO -0.19 -0.02 0.16 0.61 -1.32 0.00 0.00 176.35 175.59 2o6t n GLY 92 N 4.66 3.16 0.15 7.98 0.00 0.20 -5.00 105.19 116.33 2o6t n GLY 92 Ca -0.20 -2.26 -0.13 0.00 0.00 0.00 0.00 46.02 43.44 2o6t n GLY 92 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 2o6t h ASN 93 N 0.44 0.43 0.00 1.61 -0.00 -1.98 -3.36 115.58 112.71 2o6t h ASN 93 Ca -0.20 -0.45 0.00 0.00 -0.00 0.00 0.00 56.30 55.65 2o6t h ASN 93 Cb 0.68 -0.12 0.00 0.00 -0.00 0.00 0.00 38.32 38.88 2o6t h ASN 93 CO 0.31 0.78 -0.04 -1.54 -0.00 0.00 0.00 177.43 176.95 2o6t n SER 94 N -4.54 1.37 -4.15 1.15 3.41 -1.26 -0.98 113.62 108.61 2o6t n SER 94 Ca -0.05 -1.90 -0.10 0.00 -0.26 0.00 0.00 58.87 56.55 2o6t n SER 94 Cb 0.35 -0.08 -0.10 0.00 -0.26 0.00 0.00 64.21 64.12 2o6t n SER 94 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2o6t s SER 95 N -1.02 0.23 -0.19 4.04 1.04 -1.26 -1.21 113.70 115.32 2o6t s SER 95 Ca 0.05 -1.25 -0.13 0.00 0.48 0.00 0.00 55.95 55.10 2o6t s SER 95 Cb 0.04 0.34 0.06 0.00 0.10 0.00 0.00 66.02 66.56 2o6t s SER 95 CO 0.00 -0.79 0.49 0.54 0.98 0.00 0.00 173.24 174.46 2o6t s VAL 96 N -4.08 -0.01 -0.21 5.02 0.11 -0.81 0.58 120.40 120.99 2o6t s VAL 96 Ca 0.29 0.05 -0.13 0.00 -2.93 0.00 0.00 61.98 59.26 2o6t s VAL 96 Cb 0.07 -0.70 -0.04 0.00 -1.53 0.00 0.00 36.38 34.17 2o6t s VAL 96 CO 0.06 0.02 0.28 -1.58 -3.33 0.00 0.00 175.10 170.55 2o6t s GLN 97 N 1.15 4.15 -0.08 1.54 0.74 -0.71 -0.86 119.66 125.59 2o6t s GLN 97 Ca -0.07 -0.01 -0.05 0.00 0.05 0.00 0.00 55.36 55.28 2o6t s GLN 97 Cb -0.06 -3.52 -0.04 0.00 1.10 0.00 0.00 33.01 30.49 2o6t s GLN 97 CO -0.11 0.05 0.13 0.71 -0.55 0.00 0.00 175.29 175.53 2o6t s TYR 98 N 1.06 3.52 -0.10 1.67 1.51 0.11 -0.55 117.35 124.57 2o6t s TYR 98 Ca 0.14 0.43 0.00 0.00 -1.01 0.00 0.00 57.07 56.63 2o6t s TYR 98 Cb -0.14 -1.88 -0.02 0.00 -0.11 0.00 0.00 41.96 39.81 2o6t s TYR 98 CO 0.06 0.68 -0.11 -1.21 -1.11 0.00 0.00 175.55 173.85 2o6t s GLU 99 N -1.31 3.10 0.03 -0.62 0.41 0.10 -2.78 118.70 117.64 2o6t s GLU 99 Ca 0.19 -0.64 0.02 0.00 -0.41 0.00 0.00 54.97 54.13 2o6t s GLU 99 Cb -0.12 -2.60 -0.02 0.00 -1.78 0.00 0.00 34.13 29.60 2o6t s GLU 99 CO 0.08 0.40 -0.07 -0.51 -0.49 0.00 0.00 175.26 174.68 2o6t s LEU 100 N -0.13 2.24 0.05 1.80 1.02 -0.42 -1.14 118.68 122.10 2o6t s LEU 100 Ca -0.00 -0.51 0.02 0.00 0.02 0.00 0.00 54.13 53.66 2o6t s LEU 100 Cb -0.13 -0.12 -0.03 0.00 0.02 0.00 0.00 46.19 45.93 2o6t s LEU 100 CO 0.03 -0.20 -0.07 0.00 0.02 0.00 0.00 176.35 176.12 2o6t s ALA 101 N -1.30 0.60 -0.06 4.21 0.00 -0.95 -0.31 121.76 123.94 2o6t s ALA 101 Ca -0.10 -0.83 -0.07 0.00 0.00 0.00 0.00 51.96 50.95 2o6t s ALA 101 Cb -0.09 0.07 -0.04 0.00 0.00 0.00 0.00 23.12 23.05 2o6t s ALA 101 CO 0.00 -0.06 0.21 -1.17 0.00 0.00 0.00 175.76 174.74 2o6t s LEU 102 N -1.77 4.39 0.10 0.00 0.20 -0.18 -0.92 118.68 120.51 2o6t s LEU 102 Ca -0.07 0.54 0.05 0.00 0.69 0.00 0.00 54.13 55.34 2o6t s LEU 102 Cb -0.08 -2.34 -0.04 0.00 -0.43 0.00 0.00 46.19 43.30 2o6t s LEU 102 CO -0.00 0.35 -0.13 -0.36 -0.29 0.00 0.00 176.35 175.91 2o6t s PHE 103 N -1.13 1.27 -0.09 5.38 0.40 0.20 -0.87 117.98 123.14 2o6t s PHE 103 Ca 0.20 -0.56 -0.30 0.00 -0.60 0.00 0.00 56.93 55.68 2o6t s PHE 103 Cb -0.13 -0.68 -0.04 0.00 0.51 0.00 0.00 43.02 42.68 2o6t s PHE 103 CO 0.10 0.09 1.39 -0.51 0.70 0.00 0.00 175.22 176.99 2o6t s LEU 104 N -2.29 4.26 0.11 -0.37 1.43 -1.26 -1.08 118.68 119.48 2o6t s LEU 104 Ca 0.05 1.94 -0.35 0.00 -1.03 0.00 0.00 54.13 54.74 2o6t s LEU 104 Cb -0.06 -3.54 -0.16 0.00 0.03 0.00 0.00 46.19 42.46 2o6t s LEU 104 CO 0.02 -0.78 1.30 1.21 0.23 0.00 0.00 176.35 178.33 2o6t n GLU 105 N 6.35 1.20 0.00 1.70 2.13 0.35 -0.96 120.64 131.41 2o6t n GLU 105 Ca 0.14 0.43 0.00 0.00 0.66 0.00 0.00 57.16 58.39 2o6t n GLU 105 Cb 0.44 -2.04 0.00 0.00 0.27 0.00 0.00 31.44 30.11 2o6t n GLU 105 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2o6t n GLY 106 N 2.41 2.64 3.43 8.31 0.00 -1.26 -4.97 105.19 115.75 2o6t n GLY 106 Ca 0.17 -0.61 -0.32 0.00 0.00 0.00 0.00 46.02 45.26 2o6t n GLY 106 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2o6t n GLN 107 N 0.00 -0.92 -0.03 1.61 3.00 -0.13 -5.04 117.38 115.87 2o6t n GLN 107 Ca 0.00 -0.23 -0.01 0.00 -0.01 0.00 0.00 57.00 56.74 2o6t n GLN 107 Cb 0.00 -1.94 -0.07 0.00 0.00 0.00 0.00 30.24 28.22 2o6t n GLN 107 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.06 179.95 2o6t n ARG 108 N -2.63 1.80 -3.10 -1.09 1.85 -1.26 -4.74 116.66 107.50 2o6t n ARG 108 Ca 0.06 -0.03 -0.39 0.00 -1.00 0.00 0.00 57.85 56.48 2o6t n ARG 108 Cb 0.56 -1.23 -0.05 0.00 -1.05 0.00 0.00 32.46 30.68 2o6t n ARG 108 CO 0.00 0.00 0.00 -1.83 -0.01 0.00 0.00 177.63 175.79 2o6t s GLU 109 N -2.37 4.40 0.24 2.89 -1.05 -1.26 -3.95 118.70 117.61 2o6t s GLU 109 Ca -0.04 0.87 -0.30 0.00 -0.15 0.00 0.00 54.97 55.35 2o6t s GLU 109 Cb 0.04 -3.37 -0.09 0.00 -0.44 0.00 0.00 34.13 30.26 2o6t s GLU 109 CO 0.38 0.27 1.33 0.00 0.95 0.00 0.00 175.26 178.20 2o6t s ALA 110 N 0.08 3.54 0.00 -0.84 0.00 -1.21 -4.61 121.76 118.73 2o6t s ALA 110 Ca 0.35 1.19 0.08 0.00 0.00 0.00 0.00 51.96 53.58 2o6t s ALA 110 Cb -0.19 -3.49 -0.23 0.00 0.00 0.00 0.00 23.12 19.20 2o6t s ALA 110 CO 0.19 -0.60 0.83 0.00 0.00 0.00 0.00 175.76 176.18 2o6t s ALA 112 N -2.63 -1.34 -0.19 0.00 0.00 -1.23 0.56 121.76 116.94 2o6t s ALA 112 Ca -0.05 0.44 -0.14 0.00 0.00 0.00 0.00 51.96 52.21 2o6t s ALA 112 Cb 0.08 0.60 0.05 0.00 0.00 0.00 0.00 23.12 23.86 2o6t s ALA 112 CO 0.82 -0.62 0.47 0.00 0.00 0.00 0.00 175.76 176.44 2o6t s ALA 113 N -3.13 -1.20 0.31 0.00 0.00 -0.59 -1.01 121.76 116.13 2o6t s ALA 113 Ca -0.02 1.52 -0.04 0.00 0.00 0.00 0.00 51.96 53.42 2o6t s ALA 113 Cb -0.00 -0.90 -0.01 0.00 0.00 0.00 0.00 23.12 22.22 2o6t s ALA 113 CO -0.07 -0.25 0.42 0.20 0.00 0.00 0.00 175.76 176.06 2o6t s GLY 114 N 0.80 1.33 0.04 0.00 0.00 0.58 -0.58 107.32 109.49 2o6t s GLY 114 Ca -0.04 -1.44 -0.03 0.00 0.00 0.00 0.00 44.72 43.21 2o6t s GLY 114 CO -0.06 -1.00 0.03 1.09 0.00 0.00 0.00 173.10 173.17 2o6t s ARG 115 N -3.40 0.56 0.14 2.90 3.03 -0.25 -1.30 118.95 120.64 2o6t s ARG 115 Ca 0.30 -0.90 -0.10 0.00 2.03 0.00 0.00 55.73 57.06 2o6t s ARG 115 Cb 0.01 0.21 0.00 0.00 -1.03 0.00 0.00 34.95 34.14 2o6t s ARG 115 CO 0.17 -0.12 0.29 -0.59 -1.13 0.00 0.00 175.30 173.92 2o6t s PHE 116 N -2.94 0.21 -0.16 5.89 -0.12 -1.12 0.41 117.98 120.16 2o6t s PHE 116 Ca -0.02 -0.59 0.02 0.00 -0.05 0.00 0.00 56.93 56.29 2o6t s PHE 116 Cb 0.01 0.02 0.01 0.00 -0.63 0.00 0.00 43.02 42.43 2o6t s PHE 116 CO -0.06 -0.69 -0.21 0.08 -0.05 0.00 0.00 175.22 174.29 2o6t s VAL 117 N -3.91 2.10 0.31 -2.49 1.01 -0.35 -0.71 120.40 116.35 2o6t s VAL 117 Ca 0.11 -0.95 -0.19 0.00 0.00 0.00 0.00 61.98 60.96 2o6t s VAL 117 Cb 0.03 -1.85 -0.09 0.00 0.00 0.00 0.00 36.38 34.47 2o6t s VAL 117 CO -0.05 0.54 0.79 -1.00 0.00 0.00 0.00 175.10 175.39 2o6t s HIS 118 N 1.02 3.49 -0.02 5.22 3.76 -0.04 -2.23 115.29 126.48 2o6t s HIS 118 Ca -0.02 1.40 0.07 0.00 -0.15 0.00 0.00 55.06 56.36 2o6t s HIS 118 Cb -0.14 -2.65 -0.02 0.00 1.11 0.00 0.00 32.58 30.88 2o6t s HIS 118 CO -0.06 0.16 -0.23 0.08 -0.85 0.00 0.00 174.74 173.83 2o6t s VAL 119 N -1.82 1.82 -0.09 -0.90 1.01 0.37 -1.92 120.40 118.87 2o6t s VAL 119 Ca 0.51 -0.97 -0.10 0.00 0.00 0.00 0.00 61.98 61.42 2o6t s VAL 119 Cb -0.13 -1.51 -0.05 0.00 0.00 0.00 0.00 36.38 34.69 2o6t s VAL 119 CO 0.19 0.51 0.23 -0.36 0.00 0.00 0.00 175.10 175.67 2o6t s PHE 120 N -0.46 3.63 0.07 5.22 0.40 -0.35 -1.36 117.98 125.13 2o6t s PHE 120 Ca 0.07 0.67 -0.02 0.00 -0.60 0.00 0.00 56.93 57.05 2o6t s PHE 120 Cb -0.10 -2.07 -0.04 0.00 0.51 0.00 0.00 43.02 41.33 2o6t s PHE 120 CO -0.00 0.68 0.02 0.14 0.70 0.00 0.00 175.22 176.75 2o6t s VAL 121 N -0.95 0.19 0.11 -0.44 -7.23 0.09 -1.03 120.40 111.13 2o6t s VAL 121 Ca 0.18 -1.76 -0.31 0.00 -1.81 0.00 0.00 61.98 58.27 2o6t s VAL 121 Cb -0.13 -1.62 -0.09 0.00 0.56 0.00 0.00 36.38 35.10 2o6t s VAL 121 CO 0.07 -0.84 1.64 -0.70 -0.31 0.00 0.00 175.10 174.95 2o6t s GLU 122 N -3.94 4.20 0.27 4.82 2.56 -0.44 -1.03 118.70 125.14 2o6t s GLU 122 Ca 0.11 2.37 -0.02 0.00 0.00 0.00 0.00 54.97 57.43 2o6t s GLU 122 Cb 0.07 -3.43 0.43 0.00 2.00 0.00 0.00 34.13 33.20 2o6t s GLU 122 CO -0.07 -0.70 1.87 -0.09 -0.56 0.00 0.00 175.26 175.71 2o6t h ARG 123 N 7.77 1.09 0.08 4.30 2.43 -1.61 0.51 114.38 128.95 2o6t h ARG 123 Ca -0.43 -0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 58.67 2o6t h ARG 123 Cb 1.20 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 30.51 2o6t h ARG 123 CO 0.93 0.72 -0.04 0.00 -1.51 0.00 0.00 179.97 180.07 2o6t h ARG 124 N 1.12 -0.11 0.00 0.20 3.08 -1.91 -3.37 114.38 113.40 2o6t h ARG 124 Ca 0.44 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.50 2o6t h ARG 124 Cb 0.23 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.30 2o6t h ARG 124 CO -0.19 0.43 -1.40 -1.13 -1.07 0.00 0.00 179.97 176.61 2o6t n SER 125 N -4.85 0.47 -1.08 7.04 3.41 -1.22 -4.97 113.62 112.43 2o6t n SER 125 Ca -0.08 0.08 -0.14 0.00 -0.26 0.00 0.00 58.87 58.46 2o6t n SER 125 Cb 0.29 1.14 -0.06 0.00 -0.26 0.00 0.00 64.21 65.32 2o6t n SER 125 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2o6t n SER 126 N -2.36 -4.87 -4.67 4.04 7.64 0.18 -4.98 113.62 108.59 2o6t n SER 126 Ca -0.01 0.35 -0.42 0.00 1.01 0.00 0.00 58.87 59.79 2o6t n SER 126 Cb 0.53 -3.61 -0.03 0.00 -1.01 0.00 0.00 64.21 60.09 2o6t n SER 126 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2o6t s ARG 127 N -3.15 4.22 0.08 1.43 0.52 -1.25 -4.73 118.95 116.06 2o6t s ARG 127 Ca 0.00 2.06 -0.36 0.00 -0.52 0.00 0.00 55.73 56.91 2o6t s ARG 127 Cb 0.00 -3.80 -0.18 0.00 0.52 0.00 0.00 34.95 31.49 2o6t s ARG 127 CO 0.00 -0.74 1.04 -2.30 0.02 0.00 0.00 175.30 173.32 2o6t n PRO 128 N 6.41 0.39 -4.05 3.54 -0.02 -1.26 -1.32 135.00 138.69 2o6t n PRO 128 Ca 0.15 0.14 -0.08 0.00 -2.02 0.00 0.00 63.50 61.70 2o6t n PRO 128 Cb 0.43 -1.58 -0.10 0.00 -0.02 0.00 0.00 33.50 32.23 2o6t n PRO 128 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2o6t s VAL 129 N -0.12 0.18 0.16 -1.45 0.11 -0.20 -4.82 120.40 114.26 2o6t s VAL 129 Ca 0.82 -1.51 -0.34 0.00 -2.93 0.00 0.00 61.98 58.02 2o6t s VAL 129 Cb -1.09 -1.12 -0.15 0.00 -1.53 0.00 0.00 36.38 32.49 2o6t s VAL 129 CO 0.54 -0.83 1.45 0.00 -3.33 0.00 0.00 175.10 172.93 2o6t n ALA 130 N 0.57 0.60 -1.68 1.54 0.00 -1.26 -4.51 120.51 115.77 2o6t n ALA 130 Ca -0.17 0.46 -0.49 0.00 0.00 0.00 0.00 53.44 53.23 2o6t n ALA 130 Cb 0.59 -2.24 -0.05 0.00 0.00 0.00 0.00 19.45 17.75 2o6t n ALA 130 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2o6t n ILE 131 N 2.68 0.44 -1.90 0.00 5.41 -0.15 -4.95 119.36 120.89 2o6t n ILE 131 Ca 0.16 -0.08 -0.38 0.00 1.00 0.00 0.00 62.75 63.44 2o6t n ILE 131 Cb 0.27 -1.71 0.02 0.00 -0.71 0.00 0.00 39.64 37.51 2o6t n ILE 131 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 2o6t s PRO 132 N 3.43 3.39 0.30 0.38 0.02 -1.26 -4.67 135.00 136.59 2o6t s PRO 132 Ca 0.91 2.16 0.06 0.00 0.02 0.00 0.00 61.00 64.15 2o6t s PRO 132 Cb -0.75 -2.37 0.77 0.00 0.02 0.00 0.00 34.50 32.17 2o6t s PRO 132 CO 0.51 -0.96 1.75 0.37 -0.33 0.00 0.00 177.00 178.34 2o6t h GLN 133 N 1.77 0.64 -0.06 5.54 5.75 -1.98 -0.22 115.11 126.56 2o6t h GLN 133 Ca -0.50 -0.04 -0.00 0.00 -0.15 0.00 0.00 58.65 57.96 2o6t h GLN 133 Cb 1.28 -0.14 -0.00 0.00 1.07 0.00 0.00 27.48 29.68 2o6t h GLN 133 CO 0.59 0.43 0.04 0.93 -2.65 0.00 0.00 178.83 178.16 2o6t h GLU 134 N 0.66 0.09 0.22 1.69 5.08 -1.91 0.22 114.58 120.63 2o6t h GLU 134 Ca 0.59 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.93 2o6t h GLU 134 Cb 0.99 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.23 2o6t h GLU 134 CO -0.42 0.12 -0.12 -0.07 -1.00 0.00 0.00 179.01 177.52 2o6t h LEU 135 N 0.03 -0.30 -0.49 1.33 3.38 -1.28 -2.26 115.31 115.72 2o6t h LEU 135 Ca 0.02 0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.11 2o6t h LEU 135 Cb 0.06 0.09 -0.10 0.00 0.09 0.00 0.00 40.66 40.80 2o6t h LEU 135 CO -0.00 -0.21 -0.14 -0.09 0.09 0.00 0.00 178.44 178.09 2o6t h ARG 136 N -0.33 -0.03 -0.78 1.13 2.43 -0.88 0.34 114.38 116.26 2o6t h ARG 136 Ca -0.03 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.16 2o6t h ARG 136 Cb 0.26 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.78 2o6t h ARG 136 CO 0.03 -0.02 0.52 -0.44 -1.51 0.00 0.00 179.97 178.56 2o6t h ASP 137 N -0.03 0.90 -0.41 -3.80 3.32 -0.36 0.37 116.42 116.41 2o6t h ASP 137 Ca 0.24 -0.02 -0.14 0.00 0.02 0.00 0.00 57.03 57.13 2o6t h ASP 137 Cb 0.39 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 2o6t h ASP 137 CO -0.52 0.65 -0.27 0.00 -1.72 0.00 0.00 179.24 177.37 2o6t h ALA 138 N 1.29 0.69 -0.90 3.45 0.00 -0.65 -2.76 119.26 120.38 2o6t h ALA 138 Ca 0.29 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 2o6t h ALA 138 Cb -0.12 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.48 2o6t h ALA 138 CO -0.06 0.67 0.50 -0.07 0.00 0.00 0.00 179.25 180.29 2o6t h LEU 139 N 0.80 1.12 -1.35 0.00 3.38 0.21 -3.00 115.31 116.46 2o6t h LEU 139 Ca 0.09 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 2o6t h LEU 139 Cb 0.85 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 2o6t h LEU 139 CO 0.07 0.89 -0.03 0.00 0.09 0.00 0.00 178.44 179.47 2o6t h ALA 140 N 1.29 1.48 0.00 1.53 0.00 -0.70 -1.66 119.26 121.19 2o6t h ALA 140 Ca 0.32 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2o6t h ALA 140 Cb 0.02 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2o6t h ALA 140 CO -0.05 0.37 0.00 0.00 0.00 0.00 0.00 179.25 179.57 2o6t n ALA 141 N -2.48 1.88 -0.35 0.00 0.00 -1.06 -1.66 120.51 116.83 2o6t n ALA 141 Ca 0.01 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2o6t n ALA 141 Cb 0.23 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.53 2o6t n ALA 141 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2o6t n LEU 142 N -0.96 1.11 -4.78 0.00 4.77 -0.63 -5.02 117.00 111.50 2o6t n LEU 142 Ca 0.07 -1.11 -0.37 0.00 -0.03 0.00 0.00 56.01 54.57 2o6t n LEU 142 Cb 0.03 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.09 2o6t n LEU 142 CO 0.05 0.28 0.76 -1.10 -1.33 0.00 0.00 177.39 176.05 2o6t s GLN 143 N -0.46 4.05 0.00 3.23 -0.21 -0.66 -0.93 119.66 124.68 2o6t s GLN 143 Ca 0.00 1.58 0.31 0.00 0.02 0.00 0.00 55.36 57.27 2o6t s GLN 143 Cb 0.00 -2.50 1.66 0.00 1.00 0.00 0.00 33.01 33.17 2o6t s GLN 143 CO 0.00 -0.25 2.09 -1.13 -2.12 0.00 0.00 175.29 173.88