#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3adr s ARG 4 N -1.25 0.85 0.74 0.00 1.81 -1.26 -4.72 118.95 115.11 3adr s ARG 4 Ca 0.43 -0.95 0.00 0.00 -1.72 0.00 0.00 55.73 53.50 3adr s ARG 4 Cb -0.29 0.34 0.00 0.00 -0.45 0.00 0.00 34.95 34.55 3adr s ARG 4 CO 0.37 -0.27 0.00 0.41 -0.68 0.00 0.00 175.30 175.13 3adr n GLY 5 N -0.05 -1.92 3.36 -3.53 0.00 -1.20 -4.77 105.19 97.08 3adr n GLY 5 Ca -0.15 -1.63 -0.33 0.00 0.00 0.00 0.00 46.02 43.90 3adr n GLY 5 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3adr s LEU 6 N 0.00 2.74 -0.14 0.99 2.96 -1.26 -1.14 118.68 122.83 3adr s LEU 6 Ca 0.00 -0.34 0.02 0.00 -0.22 0.00 0.00 54.13 53.59 3adr s LEU 6 Cb 0.00 -1.63 0.00 0.00 0.50 0.00 0.00 46.19 45.06 3adr s LEU 6 CO 0.00 0.13 -0.19 -1.00 -1.32 0.00 0.00 176.35 173.97 3adr s HIS 7 N 0.54 2.70 -0.38 5.38 3.76 0.07 -4.98 115.29 122.38 3adr s HIS 7 Ca -0.08 -1.11 -0.04 0.00 -0.15 0.00 0.00 55.06 53.68 3adr s HIS 7 Cb -0.15 -1.83 0.08 0.00 1.11 0.00 0.00 32.58 31.79 3adr s HIS 7 CO 0.04 -0.49 0.15 0.45 -0.85 0.00 0.00 174.74 174.04 3adr s SER 8 N 0.69 5.24 -0.18 1.40 0.15 -1.26 -0.72 113.70 119.02 3adr s SER 8 Ca -0.09 -1.65 -0.04 0.00 0.70 0.00 0.00 55.95 54.88 3adr s SER 8 Cb -0.16 -1.83 -0.02 0.00 -1.71 0.00 0.00 66.02 62.30 3adr s SER 8 CO 0.01 -0.45 -0.04 -0.63 1.20 0.00 0.00 173.24 173.34 3adr s ILE 9 N 1.25 3.74 0.11 6.45 -1.09 0.14 -4.95 121.20 126.84 3adr s ILE 9 Ca 0.03 -0.40 -0.31 0.00 -2.23 0.00 0.00 60.65 57.74 3adr s ILE 9 Cb -0.22 -2.65 -0.08 0.00 -1.58 0.00 0.00 42.46 37.92 3adr s ILE 9 CO -0.01 0.47 1.50 -2.16 -1.23 0.00 0.00 174.94 173.50 3adr s PRO 10 N 0.71 4.26 -0.09 2.79 0.04 -1.26 -0.85 135.00 140.59 3adr s PRO 10 Ca -0.02 2.21 0.18 0.00 0.04 0.00 0.00 61.00 63.41 3adr s PRO 10 Cb -0.14 -3.32 0.40 0.00 0.04 0.00 0.00 34.50 31.47 3adr s PRO 10 CO 0.02 -0.57 1.18 0.00 0.04 0.00 0.00 177.00 177.68 3adr n ALA 11 N 4.43 2.89 -1.93 8.56 0.00 0.62 -4.67 120.51 130.42 3adr n ALA 11 Ca 0.13 -2.70 -0.07 0.00 0.00 0.00 0.00 53.44 50.81 3adr n ALA 11 Cb 0.41 -0.55 0.04 0.00 0.00 0.00 0.00 19.45 19.36 3adr n ALA 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3adr n GLY 12 N -0.30 -0.04 3.77 0.00 0.00 0.69 -2.18 105.19 107.13 3adr n GLY 12 Ca 0.12 -1.86 -0.29 0.00 0.00 0.00 0.00 46.02 43.98 3adr n GLY 12 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3adr s PRO 13 N -3.45 1.24 0.53 1.61 0.04 -1.25 -4.23 135.00 129.50 3adr s PRO 13 Ca 0.21 0.43 0.20 0.00 0.04 0.00 0.00 61.00 61.88 3adr s PRO 13 Cb -0.01 -1.84 1.36 0.00 0.04 0.00 0.00 34.50 34.05 3adr s PRO 13 CO 0.14 -2.16 2.10 0.28 0.04 0.00 0.00 177.00 177.40 3adr h VAL 14 N -1.47 0.86 0.00 -0.36 2.07 -1.92 -0.56 116.25 114.87 3adr h VAL 14 Ca -0.50 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.00 3adr h VAL 14 Cb 1.32 0.90 -0.00 0.00 -1.52 0.00 0.00 31.29 31.99 3adr h VAL 14 CO 0.60 0.00 -0.06 -0.33 0.02 0.00 0.00 177.57 177.80 3adr h GLU 15 N 0.00 0.00 -0.46 1.57 3.07 -1.96 -3.38 114.58 113.42 3adr h GLU 15 Ca 0.09 0.00 -0.16 0.00 -0.50 0.00 0.00 59.36 58.79 3adr h GLU 15 Cb 0.36 0.00 -0.15 0.00 -0.84 0.00 0.00 28.75 28.12 3adr h GLU 15 CO -0.00 0.06 -0.42 0.34 -1.40 0.00 0.00 179.01 177.59 3adr n PHE 16 N -3.19 -3.14 -0.28 4.33 -0.00 -0.32 -3.81 117.46 111.05 3adr n PHE 16 Ca 0.00 -1.40 0.08 0.00 -0.00 0.00 0.00 57.45 56.13 3adr n PHE 16 Cb 0.33 1.46 0.23 0.00 -0.00 0.00 0.00 39.48 41.50 3adr n PHE 16 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.76 175.41 3adr h PRO 17 N 4.40 0.45 0.00 -7.13 0.11 -1.47 -2.00 132.00 126.36 3adr h PRO 17 Ca -0.05 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.03 3adr h PRO 17 Cb 1.09 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.10 3adr h PRO 17 CO 0.11 0.30 0.00 0.39 -0.21 0.00 0.00 178.00 178.59 3adr n GLU 18 N -4.99 0.84 0.25 1.05 -0.58 -1.26 -0.22 120.64 115.72 3adr n GLU 18 Ca 0.17 0.00 0.13 0.00 -0.42 0.00 0.00 57.16 57.04 3adr n GLU 18 Cb 0.49 -1.30 0.63 0.00 -0.57 0.00 0.00 31.44 30.70 3adr n GLU 18 CO 0.00 0.00 0.00 0.97 -0.48 0.00 0.00 177.13 177.62 3adr h ILE 19 N 0.00 0.46 -3.88 -3.67 2.10 -1.73 -3.40 117.51 107.37 3adr h ILE 19 Ca 0.00 -0.76 -0.28 0.00 1.08 0.00 0.00 64.86 64.90 3adr h ILE 19 Cb 0.00 1.53 -0.26 0.00 -1.09 0.00 0.00 36.82 37.00 3adr h ILE 19 CO 0.00 0.14 -0.74 0.00 -1.08 0.00 0.00 178.15 176.48 3adr s ALA 20 N -3.88 0.32 -0.08 0.18 0.00 -1.25 -4.42 121.76 112.65 3adr s ALA 20 Ca -0.01 -0.32 0.05 0.00 0.00 0.00 0.00 51.96 51.68 3adr s ALA 20 Cb 0.11 -0.03 -0.00 0.00 0.00 0.00 0.00 23.12 23.20 3adr s ALA 20 CO 0.59 0.03 -0.23 0.99 0.00 0.00 0.00 175.76 177.14 3adr s THR 21 N -0.49 1.91 -0.13 0.00 2.01 0.12 -0.27 115.64 118.79 3adr s THR 21 Ca -0.03 -0.96 -0.03 0.00 0.31 0.00 0.00 61.69 60.98 3adr s THR 21 Cb -0.04 -1.64 -0.03 0.00 0.01 0.00 0.00 72.50 70.80 3adr s THR 21 CO -0.00 0.53 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.76 3adr s VAL 22 N 0.15 4.16 -0.04 3.82 1.01 -0.03 -4.74 120.40 124.72 3adr s VAL 22 Ca -0.11 -0.28 0.01 0.00 0.00 0.00 0.00 61.98 61.60 3adr s VAL 22 Cb -0.16 -2.79 -0.03 0.00 0.00 0.00 0.00 36.38 33.40 3adr s VAL 22 CO 0.06 0.54 -0.05 -0.31 0.00 0.00 0.00 175.10 175.34 3adr s TYR 23 N -0.20 2.98 0.18 5.22 2.02 -1.05 -0.69 117.35 125.82 3adr s TYR 23 Ca 0.05 0.04 0.02 0.00 -0.37 0.00 0.00 57.07 56.81 3adr s TYR 23 Cb -0.13 -1.69 -0.01 0.00 -0.40 0.00 0.00 41.96 39.74 3adr s TYR 23 CO 0.02 0.38 0.06 0.28 -1.57 0.00 0.00 175.55 174.73 3adr n VAL 24 N 1.92 0.00 -2.98 0.71 0.31 0.10 -0.13 118.33 118.25 3adr n VAL 24 Ca -0.17 -1.06 0.02 0.00 -0.01 0.00 0.00 64.34 63.12 3adr n VAL 24 Cb 0.53 0.37 -0.00 0.00 -0.91 0.00 0.00 33.84 33.83 3adr n VAL 24 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3adr s GLY 27 N 2.13 1.78 0.39 0.00 0.00 0.21 -3.22 107.32 108.62 3adr s GLY 27 Ca 0.16 -1.25 0.21 0.00 0.00 0.00 0.00 44.72 43.84 3adr s GLY 27 CO -0.14 -0.49 1.63 0.83 0.00 0.00 0.00 173.10 174.92 3adr h GLU 28 N -1.56 0.00 0.00 2.90 5.08 -0.42 -3.37 114.58 117.21 3adr h GLU 28 Ca -0.44 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 57.77 3adr h GLU 28 Cb 1.24 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.46 3adr h GLU 28 CO 0.38 0.24 -1.60 1.63 -1.00 0.00 0.00 179.01 178.66 3adr n LYS 29 N -3.21 0.26 -4.37 2.33 5.02 0.60 -4.94 118.16 113.85 3adr n LYS 29 Ca 0.02 0.06 -0.21 0.00 -2.02 0.00 0.00 58.31 56.17 3adr n LYS 29 Cb 0.57 -1.20 -0.13 0.00 -0.02 0.00 0.00 35.03 34.24 3adr n LYS 29 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3adr s LEU 30 N -5.63 2.18 -0.19 -0.35 1.43 -0.48 -4.98 118.68 110.66 3adr s LEU 30 Ca -0.14 -0.48 -0.03 0.00 -1.03 0.00 0.00 54.13 52.46 3adr s LEU 30 Cb 0.04 -0.64 -0.01 0.00 0.03 0.00 0.00 46.19 45.61 3adr s LEU 30 CO 0.24 0.04 -0.08 -0.89 0.23 0.00 0.00 176.35 175.89 3adr s THR 31 N -0.88 3.21 0.00 5.49 2.01 -1.26 -0.62 115.64 123.60 3adr s THR 31 Ca 0.02 -0.56 0.00 0.00 0.31 0.00 0.00 61.69 61.46 3adr s THR 31 Cb -0.08 -2.43 0.00 0.00 0.01 0.00 0.00 72.50 70.00 3adr s THR 31 CO 0.01 0.46 0.00 0.52 -0.69 0.00 0.00 174.62 174.93 3adr n VAL 32 N 4.41 0.00 -3.51 3.82 0.31 -1.26 -1.35 118.33 120.75 3adr n VAL 32 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 3adr n VAL 32 Cb 0.51 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.41 3adr n VAL 32 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3adr s ILE 34 N -0.93 -0.89 0.14 2.52 1.01 0.81 -4.29 121.20 119.56 3adr s ILE 34 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60.65 60.65 3adr s ILE 34 Cb 0.00 -1.00 0.00 0.00 0.01 0.00 0.00 42.46 41.47 3adr s ILE 34 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 174.94 175.41 3adr n ASP 35 N 5.37 -2.35 -1.12 3.58 8.00 0.51 -2.52 116.55 128.02 3adr n ASP 35 Ca -0.10 0.31 0.02 0.00 0.71 0.00 0.00 54.79 55.74 3adr n ASP 35 Cb 0.50 -1.31 0.01 0.00 -0.02 0.00 0.00 41.12 40.30 3adr n ASP 35 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3adr n ALA 36 N -2.72 2.24 -0.89 2.24 0.00 0.72 -4.79 120.51 117.32 3adr n ALA 36 Ca -0.01 -1.82 0.10 0.00 0.00 0.00 0.00 53.44 51.70 3adr n ALA 36 Cb 0.19 -0.64 -0.02 0.00 0.00 0.00 0.00 19.45 18.97 3adr n ALA 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3adr n GLY 37 N 0.31 -1.83 3.87 0.00 0.00 -1.25 -0.89 105.19 105.39 3adr n GLY 37 Ca 0.03 -1.24 -0.31 0.00 0.00 0.00 0.00 46.02 44.50 3adr n GLY 37 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3adr s VAL 38 N -1.31 4.82 0.36 1.61 -7.23 -0.93 0.12 120.40 117.84 3adr s VAL 38 Ca 0.00 0.58 0.06 0.00 -1.81 0.00 0.00 61.98 60.81 3adr s VAL 38 Cb 0.00 -3.68 0.29 0.00 0.56 0.00 0.00 36.38 33.55 3adr s VAL 38 CO 0.00 -0.33 1.96 -1.28 -0.31 0.00 0.00 175.10 175.14 3adr h SER 39 N 1.78 0.66 -0.30 4.85 0.87 -1.65 -2.25 113.55 117.52 3adr h SER 39 Ca -0.47 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.09 3adr h SER 39 Cb 1.18 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 63.00 3adr h SER 39 CO 0.65 0.43 0.00 0.59 -0.53 0.00 0.00 176.83 177.98 3adr n ASN 40 N -4.48 2.53 -4.78 6.23 3.02 -0.18 -4.80 115.26 112.80 3adr n ASN 40 Ca 0.10 -2.22 -0.37 0.00 -0.03 0.00 0.00 54.58 52.06 3adr n ASN 40 Cb 0.22 -0.42 -0.05 0.00 -0.61 0.00 0.00 39.78 38.92 3adr n ASN 40 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3adr s SER 41 N -0.66 7.16 -0.23 6.41 0.15 -0.85 -4.33 113.70 121.36 3adr s SER 41 Ca 0.24 1.94 0.15 0.00 0.70 0.00 0.00 55.95 58.98 3adr s SER 41 Cb 0.16 -2.59 0.75 0.00 -1.71 0.00 0.00 66.02 62.63 3adr s SER 41 CO 0.11 -0.20 1.67 2.30 1.20 0.00 0.00 173.24 178.32 3adr n ILE 42 N 0.44 2.66 -1.62 6.45 -5.35 -1.26 -5.00 119.36 115.68 3adr n ILE 42 Ca 0.03 -1.54 -0.46 0.00 -0.27 0.00 0.00 62.75 60.50 3adr n ILE 42 Cb 0.49 -0.28 -0.03 0.00 -1.74 0.00 0.00 39.64 38.09 3adr n ILE 42 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3adr n ALA 43 N 0.31 0.15 -3.49 -1.28 0.00 -1.26 -4.95 120.51 109.99 3adr n ALA 43 Ca 0.26 0.42 -0.36 0.00 0.00 0.00 0.00 53.44 53.77 3adr n ALA 43 Cb 1.13 -2.13 -0.13 0.00 0.00 0.00 0.00 19.45 18.32 3adr n ALA 43 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3adr s ASP 44 N -0.07 4.77 -0.36 0.00 2.15 -1.26 -4.98 116.67 116.93 3adr s ASP 44 Ca 0.66 -0.92 0.08 0.00 0.43 0.00 0.00 52.55 52.80 3adr s ASP 44 Cb -0.72 -1.76 0.68 0.00 -0.30 0.00 0.00 42.92 40.82 3adr s ASP 44 CO 0.54 -0.19 1.78 0.49 -0.17 0.00 0.00 175.17 177.62 3adr n PHE 45 N 4.73 2.42 0.33 -5.34 3.72 -1.26 -4.62 117.46 117.44 3adr n PHE 45 Ca -0.15 -1.45 0.22 0.00 -0.05 0.00 0.00 57.45 56.02 3adr n PHE 45 Cb 0.46 -0.73 1.17 0.00 -0.94 0.00 0.00 39.48 39.44 3adr n PHE 45 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 3adr h SER 46 N 1.86 0.00 0.00 4.37 0.02 -2.02 -1.88 113.55 115.90 3adr h SER 46 Ca 0.37 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.32 3adr h SER 46 Cb 2.39 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.93 3adr h SER 46 CO 0.79 0.00 0.00 2.22 -1.14 0.00 0.00 176.83 178.70 3adr n PHE 47 N -3.02 0.00 -3.90 3.45 1.16 -1.26 -4.62 117.46 109.27 3adr n PHE 47 Ca -0.03 0.00 -0.35 0.00 -1.87 0.00 0.00 57.45 55.20 3adr n PHE 47 Cb 0.07 0.00 -0.11 0.00 -1.61 0.00 0.00 39.48 37.84 3adr n PHE 47 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 3adr s LEU 48 N -1.80 3.73 0.10 5.98 1.43 -0.71 -4.73 118.68 122.68 3adr s LEU 48 Ca 0.19 -0.01 0.16 0.00 -1.03 0.00 0.00 54.13 53.44 3adr s LEU 48 Cb 0.09 -1.97 -0.11 0.00 0.03 0.00 0.00 46.19 44.23 3adr s LEU 48 CO 0.15 0.09 0.94 -2.24 0.23 0.00 0.00 176.35 175.52 3adr h ASP 49 N 7.30 0.00 -5.06 2.29 2.03 -1.89 -3.48 116.42 117.62 3adr h ASP 49 Ca -0.37 0.00 -0.05 0.00 -0.73 0.00 0.00 57.03 55.89 3adr h ASP 49 Cb 1.17 0.00 -0.13 0.00 -0.83 0.00 0.00 39.33 39.55 3adr h ASP 49 CO 0.65 0.61 -0.01 -1.59 -1.03 0.00 0.00 179.24 177.86 3adr s LYS 50 N -2.90 1.11 -0.18 4.15 -2.85 -1.26 -5.08 119.74 112.73 3adr s LYS 50 Ca -0.02 -0.66 -0.04 0.00 -1.00 0.00 0.00 55.97 54.25 3adr s LYS 50 Cb 0.08 0.49 0.09 0.00 -2.06 0.00 0.00 37.83 36.44 3adr s LYS 50 CO 0.80 -0.45 0.30 -1.17 0.10 0.00 0.00 175.35 174.93 3adr s LEU 51 N -2.79 -0.38 -0.11 2.77 2.96 -1.26 -4.86 118.68 115.01 3adr s LEU 51 Ca 0.03 0.41 -0.16 0.00 -0.22 0.00 0.00 54.13 54.18 3adr s LEU 51 Cb 0.01 0.81 -0.27 0.00 0.50 0.00 0.00 46.19 47.25 3adr s LEU 51 CO -0.12 -0.27 0.56 0.44 -1.32 0.00 0.00 176.35 175.64 3adr h ASP 52 N 8.26 0.36 -4.77 3.68 3.32 -1.56 -2.49 116.42 123.21 3adr h ASP 52 Ca -0.16 -0.85 -0.19 0.00 0.02 0.00 0.00 57.03 55.85 3adr h ASP 52 Cb 1.13 -0.12 -0.22 0.00 0.22 0.00 0.00 39.33 40.34 3adr h ASP 52 CO 0.19 1.59 -0.71 -0.31 -1.72 0.00 0.00 179.24 178.28 3adr s TYR 53 N -2.47 0.27 -0.23 4.55 2.02 -1.07 -1.60 117.35 118.82 3adr s TYR 53 Ca -0.20 -0.45 0.01 0.00 -0.37 0.00 0.00 57.07 56.06 3adr s TYR 53 Cb 0.04 -0.19 0.06 0.00 -0.40 0.00 0.00 41.96 41.47 3adr s TYR 53 CO 0.76 -0.15 -0.06 0.42 -1.57 0.00 0.00 175.55 174.95 3adr s ILE 54 N -1.23 1.57 -0.23 2.71 1.01 -0.22 -4.34 121.20 120.46 3adr s ILE 54 Ca -0.13 -1.24 -0.17 0.00 0.00 0.00 0.00 60.65 59.11 3adr s ILE 54 Cb -0.09 -1.82 -0.03 0.00 0.01 0.00 0.00 42.46 40.53 3adr s ILE 54 CO -0.01 -0.09 0.46 -0.69 0.00 0.00 0.00 174.94 174.61 3adr s VAL 55 N 1.38 5.13 -0.33 2.92 1.01 -1.26 -0.74 120.40 128.51 3adr s VAL 55 Ca -0.06 0.79 -0.18 0.00 0.00 0.00 0.00 61.98 62.53 3adr s VAL 55 Cb -0.19 -3.78 -0.01 0.00 0.00 0.00 0.00 36.38 32.40 3adr s VAL 55 CO -0.06 0.17 0.51 -0.76 0.00 0.00 0.00 175.10 174.95 3adr s LEU 56 N 1.83 4.26 0.36 3.92 1.43 -0.86 -0.36 118.68 129.26 3adr s LEU 56 Ca 0.20 0.11 0.03 0.00 -1.03 0.00 0.00 54.13 53.45 3adr s LEU 56 Cb -0.15 -2.60 0.67 0.00 0.03 0.00 0.00 46.19 44.13 3adr s LEU 56 CO 0.09 -0.43 1.99 0.71 0.23 0.00 0.00 176.35 178.95 3adr h THR 57 N 5.56 1.16 -2.24 5.49 1.35 -1.89 -3.44 112.91 118.89 3adr h THR 57 Ca -0.28 -0.37 0.20 0.00 -0.55 0.00 0.00 66.41 65.41 3adr h THR 57 Cb 1.13 0.41 -0.07 0.00 -1.73 0.00 0.00 68.15 67.88 3adr h THR 57 CO 0.75 0.17 0.57 -1.38 -0.25 0.00 0.00 175.52 175.38 3adr s HIS 58 N -5.55 -0.06 -0.43 4.73 0.00 -1.26 -3.92 115.29 108.80 3adr s HIS 58 Ca -0.09 -0.23 0.08 0.00 -3.00 0.00 0.00 55.06 51.81 3adr s HIS 58 Cb 0.17 0.64 0.55 0.00 -4.00 0.00 0.00 32.58 29.95 3adr s HIS 58 CO 0.76 -0.76 1.45 1.28 -1.00 0.00 0.00 174.74 176.47 3adr n LEU 59 N -0.54 4.67 -4.78 5.38 4.77 -1.26 -4.71 117.00 120.53 3adr n LEU 59 Ca -0.06 -2.40 -0.36 0.00 -0.03 0.00 0.00 56.01 53.17 3adr n LEU 59 Cb 0.61 -0.66 -0.02 0.00 -2.33 0.00 0.00 43.42 41.01 3adr n LEU 59 CO 0.15 0.61 0.77 -1.00 -1.33 0.00 0.00 177.39 176.59 3adr s HIS 60 N -2.26 3.04 0.59 -1.77 3.76 -1.26 -4.91 115.29 112.48 3adr s HIS 60 Ca 0.39 1.59 0.28 0.00 -0.15 0.00 0.00 55.06 57.17 3adr s HIS 60 Cb 0.30 -3.22 1.60 0.00 1.11 0.00 0.00 32.58 32.37 3adr s HIS 60 CO 0.10 -1.05 2.05 -0.84 -0.85 0.00 0.00 174.74 174.15 3adr h ILE 61 N 1.91 0.45 -0.01 0.60 3.07 -1.92 -1.64 117.51 119.97 3adr h ILE 61 Ca -0.49 0.00 0.00 0.00 1.55 0.00 0.00 64.86 65.92 3adr h ILE 61 Cb 1.23 0.78 0.00 0.00 -0.27 0.00 0.00 36.82 38.56 3adr h ILE 61 CO 0.61 0.00 0.00 -0.90 -1.05 0.00 0.00 178.15 176.81 3adr n ASP 62 N -3.80 0.06 0.00 2.16 5.75 -1.26 -3.27 116.55 116.20 3adr n ASP 62 Ca 0.03 -1.78 0.00 0.00 -0.01 0.00 0.00 54.79 53.03 3adr n ASP 62 Cb 0.41 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.50 3adr n ASP 62 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 3adr n HIS 63 N -0.57 0.00 -0.65 2.11 8.25 -0.62 -3.74 115.22 120.00 3adr n HIS 63 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 3adr n HIS 63 Cb 0.03 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.14 3adr n HIS 63 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 3adr n ILE 64 N -0.06 0.28 -0.29 1.59 -5.35 -1.11 -0.20 119.36 114.22 3adr n ILE 64 Ca 0.00 -0.32 0.06 0.00 -0.27 0.00 0.00 62.75 62.23 3adr n ILE 64 Cb 0.08 0.98 0.21 0.00 -1.74 0.00 0.00 39.64 39.17 3adr n ILE 64 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 3adr h GLY 65 N 0.00 1.34 -1.41 3.28 0.00 -0.30 -2.96 103.07 103.03 3adr h GLY 65 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.08 3adr h GLY 65 CO 0.00 -0.02 0.00 1.04 0.00 0.00 0.00 176.54 177.56 3adr n LEU 66 N -4.87 2.20 -0.28 3.11 4.77 -0.07 -4.36 117.00 117.49 3adr n LEU 66 Ca 0.16 -1.04 0.02 0.00 -0.03 0.00 0.00 56.01 55.12 3adr n LEU 66 Cb 0.41 -0.23 0.15 0.00 -2.33 0.00 0.00 43.42 41.42 3adr n LEU 66 CO 0.21 0.52 1.13 -0.07 -1.33 0.00 0.00 177.39 177.86 3adr h LEU 67 N 2.57 0.66 -0.46 2.23 3.38 -1.73 -0.83 115.31 121.13 3adr h LEU 67 Ca 0.00 0.04 0.07 0.00 0.09 0.00 0.00 57.88 58.08 3adr h LEU 67 Cb 0.58 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 41.18 3adr h LEU 67 CO 0.00 0.40 0.11 -0.65 0.09 0.00 0.00 178.44 178.39 3adr h PRO 68 N 0.79 0.25 -0.12 1.13 0.11 -1.84 -0.55 132.00 131.76 3adr h PRO 68 Ca 0.37 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 66.36 3adr h PRO 68 Cb 0.30 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.35 3adr h PRO 68 CO -0.22 0.17 -0.33 0.93 -0.21 0.00 0.00 178.00 178.33 3adr h GLU 69 N 0.26 0.44 -0.93 1.05 3.07 -1.81 -3.22 114.58 113.45 3adr h GLU 69 Ca 0.23 -0.31 0.05 0.00 -0.50 0.00 0.00 59.36 58.83 3adr h GLU 69 Cb 0.28 0.05 -0.06 0.00 -0.84 0.00 0.00 28.75 28.18 3adr h GLU 69 CO -0.28 0.93 0.60 -0.07 -1.40 0.00 0.00 179.01 178.79 3adr h LEU 70 N 0.03 0.96 0.00 1.33 3.38 -0.91 -1.32 115.31 118.79 3adr h LEU 70 Ca -0.01 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3adr h LEU 70 Cb 0.94 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.48 3adr h LEU 70 CO 0.07 0.63 0.00 0.18 0.09 0.00 0.00 178.44 179.42 3adr n LEU 71 N -4.47 0.00 -0.08 1.67 4.77 -0.24 -1.03 117.00 117.62 3adr n LEU 71 Ca 0.13 0.47 -0.15 0.00 -0.03 0.00 0.00 56.01 56.44 3adr n LEU 71 Cb 0.16 -0.47 -0.14 0.00 -2.33 0.00 0.00 43.42 40.63 3adr n LEU 71 CO 0.33 -0.12 -1.05 0.00 -1.33 0.00 0.00 177.39 175.22 3adr n GLN 72 N -1.47 0.68 0.11 3.23 1.13 -0.58 -4.45 117.38 116.03 3adr n GLN 72 Ca 0.06 0.15 -0.20 0.00 -1.94 0.00 0.00 57.00 55.06 3adr n GLN 72 Cb 0.24 -1.60 -0.14 0.00 0.11 0.00 0.00 30.24 28.86 3adr n GLN 72 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 3adr h VAL 73 N 0.01 1.36 -2.06 5.09 2.07 -1.23 -3.47 116.25 118.03 3adr h VAL 73 Ca -0.49 -2.74 -0.58 0.00 0.82 0.00 0.00 66.70 63.70 3adr h VAL 73 Cb 2.05 2.88 -0.11 0.00 -1.52 0.00 0.00 31.29 34.59 3adr h VAL 73 CO 0.01 0.82 -0.65 -0.31 0.02 0.00 0.00 177.57 177.45 3adr s TYR 74 N -2.77 2.54 -0.61 1.57 2.02 -0.20 -5.02 117.35 114.88 3adr s TYR 74 Ca -0.07 -0.35 0.09 0.00 -0.37 0.00 0.00 57.07 56.36 3adr s TYR 74 Cb 0.06 -1.31 0.49 0.00 -0.40 0.00 0.00 41.96 40.80 3adr s TYR 74 CO 0.92 0.56 1.26 1.63 -1.57 0.00 0.00 175.55 178.35 3adr n LYS 75 N -0.88 3.31 -1.16 -0.62 5.02 -1.26 -4.53 118.16 118.05 3adr n LYS 75 Ca -0.05 -1.89 -0.34 0.00 -2.02 0.00 0.00 58.31 54.01 3adr n LYS 75 Cb 0.61 -1.94 0.12 0.00 -0.02 0.00 0.00 35.03 33.80 3adr n LYS 75 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3adr s ALA 76 N -2.04 1.87 -0.02 7.82 0.00 -0.94 -4.91 121.76 123.55 3adr s ALA 76 Ca 0.33 0.86 0.05 0.00 0.00 0.00 0.00 51.96 53.20 3adr s ALA 76 Cb 0.25 -3.50 -0.03 0.00 0.00 0.00 0.00 23.12 19.84 3adr s ALA 76 CO 0.10 -2.25 -0.15 0.15 0.00 0.00 0.00 175.76 173.62 3adr s LYS 77 N -4.09 2.38 -0.11 0.00 -0.14 -0.62 -4.94 119.74 112.22 3adr s LYS 77 Ca 0.74 -0.78 -0.15 0.00 -1.36 0.00 0.00 55.97 54.41 3adr s LYS 77 Cb -0.29 -2.33 -0.05 0.00 -1.68 0.00 0.00 37.83 33.48 3adr s LYS 77 CO 0.50 0.60 0.38 0.08 -0.76 0.00 0.00 175.35 176.15 3adr s VAL 78 N -0.82 5.20 -0.22 3.17 1.01 1.00 -1.06 120.40 128.69 3adr s VAL 78 Ca 0.13 0.75 -0.07 0.00 0.00 0.00 0.00 61.98 62.79 3adr s VAL 78 Cb -0.11 -3.71 -0.03 0.00 0.00 0.00 0.00 36.38 32.53 3adr s VAL 78 CO 0.03 0.42 0.06 -0.76 0.00 0.00 0.00 175.10 174.84 3adr s LEU 79 N 0.11 3.52 0.04 3.92 1.43 0.08 -0.03 118.68 127.75 3adr s LEU 79 Ca 0.21 -0.12 0.02 0.00 -1.03 0.00 0.00 54.13 53.22 3adr s LEU 79 Cb -0.15 -1.92 -0.02 0.00 0.03 0.00 0.00 46.19 44.13 3adr s LEU 79 CO 0.08 0.04 -0.08 0.54 0.23 0.00 0.00 176.35 177.17 3adr s VAL 80 N 1.15 0.52 0.19 -1.59 0.11 -0.84 -2.03 120.40 117.92 3adr s VAL 80 Ca 0.04 -1.08 -0.33 0.00 -2.93 0.00 0.00 61.98 57.68 3adr s VAL 80 Cb -0.14 -0.60 -0.14 0.00 -1.53 0.00 0.00 36.38 33.97 3adr s VAL 80 CO 0.03 -0.39 1.50 1.17 -3.33 0.00 0.00 175.10 174.07 3adr n LYS 81 N 1.45 2.04 -1.67 1.54 3.00 -1.26 -0.94 118.16 122.33 3adr n LYS 81 Ca -0.23 0.73 -0.44 0.00 -0.00 0.00 0.00 58.31 58.38 3adr n LYS 81 Cb 0.55 -2.45 -0.02 0.00 0.00 0.00 0.00 35.03 33.11 3adr n LYS 81 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 3adr n SER 82 N 2.86 2.52 0.00 3.14 3.41 0.61 -2.30 113.62 123.86 3adr n SER 82 Ca 0.15 1.17 0.00 0.00 -0.26 0.00 0.00 58.87 59.93 3adr n SER 82 Cb 0.29 -1.42 0.00 0.00 -0.26 0.00 0.00 64.21 62.82 3adr n SER 82 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3adr n GLY 83 N 1.53 0.23 0.00 5.00 0.00 -1.26 -4.92 105.19 105.78 3adr n GLY 83 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 3adr n GLY 83 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3adr n PHE 84 N -1.94 0.00 -0.17 1.61 3.72 -0.97 -4.69 117.46 115.02 3adr n PHE 84 Ca 0.00 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.44 3adr n PHE 84 Cb 0.00 0.00 0.33 0.00 -0.94 0.00 0.00 39.48 38.87 3adr n PHE 84 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 3adr h LYS 85 N 0.00 0.79 -0.22 -1.08 3.64 -1.90 -2.37 116.57 115.43 3adr h LYS 85 Ca 0.00 -0.05 0.06 0.00 -1.27 0.00 0.00 60.65 59.40 3adr h LYS 85 Cb 0.04 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.67 3adr h LYS 85 CO 0.00 0.52 0.20 1.57 -2.27 0.00 0.00 179.45 179.48 3adr h LYS 86 N 0.82 0.00 0.00 1.90 2.10 -1.97 -1.29 116.57 118.13 3adr h LYS 86 Ca 0.27 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.92 3adr h LYS 86 Cb 0.08 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.41 3adr h LYS 86 CO -0.08 0.00 0.00 1.88 -2.00 0.00 0.00 179.45 179.25 3adr h TYR 87 N 0.00 0.00 0.00 0.07 0.05 -1.74 -3.24 116.97 112.12 3adr h TYR 87 Ca 0.11 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.89 3adr h TYR 87 Cb 0.51 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.25 3adr h TYR 87 CO 0.00 0.00 -1.48 1.28 -1.05 0.00 0.00 178.16 176.91 3adr n LEU 88 N -2.61 0.27 -1.01 3.88 4.77 -0.51 -2.45 117.00 119.34 3adr n LEU 88 Ca 0.03 -0.16 0.11 0.00 -0.03 0.00 0.00 56.01 55.95 3adr n LEU 88 Cb 0.35 0.00 0.17 0.00 -2.33 0.00 0.00 43.42 41.62 3adr n LEU 88 CO 0.27 0.07 0.66 0.35 -1.33 0.00 0.00 177.39 177.40 3adr n THR 89 N -1.88 0.40 -4.05 -5.08 -2.24 -1.10 -0.90 114.28 99.43 3adr n THR 89 Ca -0.01 -0.70 -0.09 0.00 -2.27 0.00 0.00 64.05 60.98 3adr n THR 89 Cb 0.40 1.06 -0.11 0.00 -2.10 0.00 0.00 70.33 69.59 3adr n THR 89 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3adr s SER 90 N -1.47 0.47 0.26 3.42 1.04 -1.25 -4.67 113.70 111.51 3adr s SER 90 Ca 0.33 -0.77 -0.04 0.00 0.48 0.00 0.00 55.95 55.96 3adr s SER 90 Cb 0.20 0.14 0.33 0.00 0.10 0.00 0.00 66.02 66.79 3adr s SER 90 CO 0.28 -0.44 1.85 -0.33 0.98 0.00 0.00 173.24 175.59 3adr h GLU 91 N 3.84 1.02 -0.07 4.02 5.08 -1.93 -1.04 114.58 125.50 3adr h GLU 91 Ca -0.33 -0.16 -0.11 0.00 -1.00 0.00 0.00 59.36 57.76 3adr h GLU 91 Cb 1.17 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.23 3adr h GLU 91 CO 0.54 0.81 -0.44 -0.44 -1.00 0.00 0.00 179.01 178.48 3adr h ASP 92 N 1.01 0.16 -0.00 1.42 3.45 -1.95 -1.14 116.42 119.37 3adr h ASP 92 Ca 0.24 -0.07 -0.00 0.00 0.43 0.00 0.00 57.03 57.63 3adr h ASP 92 Cb 0.15 -0.05 -0.00 0.00 -0.56 0.00 0.00 39.33 38.87 3adr h ASP 92 CO -0.03 0.59 0.00 1.23 -1.57 0.00 0.00 179.24 179.47 3adr h GLY 93 N 1.30 0.00 0.80 2.75 0.00 -1.54 -2.19 103.07 104.20 3adr h GLY 93 Ca 0.01 -0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.38 3adr h GLY 93 CO 0.06 0.00 0.55 1.41 0.00 0.00 0.00 176.54 178.57 3adr h LEU 94 N -0.26 0.90 -0.61 3.11 4.07 -0.89 -1.71 115.31 119.92 3adr h LEU 94 Ca 0.00 0.00 0.05 0.00 0.08 0.00 0.00 57.88 58.02 3adr h LEU 94 Cb 0.26 -0.19 -0.05 0.00 1.08 0.00 0.00 40.66 41.76 3adr h LEU 94 CO 0.00 0.60 0.33 0.50 -1.08 0.00 0.00 178.44 178.79 3adr h LYS 95 N 1.04 0.61 -0.19 1.13 3.64 -1.01 0.21 116.57 121.99 3adr h LYS 95 Ca 0.36 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.70 3adr h LYS 95 Cb 0.09 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 3adr h LYS 95 CO -0.14 0.40 0.09 0.87 -2.27 0.00 0.00 179.45 178.40 3adr h LYS 96 N 0.63 0.28 -0.01 1.90 1.57 -0.75 0.14 116.57 120.33 3adr h LYS 96 Ca 0.27 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 3adr h LYS 96 Cb 0.15 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.41 3adr h LYS 96 CO -0.17 0.33 -0.00 -0.07 -0.57 0.00 0.00 179.45 178.97 3adr h LEU 97 N 0.18 -0.01 -0.62 2.94 3.38 -0.78 -1.35 115.31 119.05 3adr h LEU 97 Ca 0.07 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.95 3adr h LEU 97 Cb 0.14 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 3adr h LEU 97 CO -0.01 -0.00 0.05 0.78 0.09 0.00 0.00 178.44 179.35 3adr h ASN 98 N 0.00 1.02 -0.37 -0.43 2.35 -0.53 -1.64 115.58 115.98 3adr h ASN 98 Ca 0.00 -0.29 -0.01 0.00 -0.55 0.00 0.00 56.30 55.46 3adr h ASN 98 Cb 0.01 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.08 3adr h ASN 98 CO -0.01 1.06 0.19 -0.08 -1.65 0.00 0.00 177.43 176.94 3adr h GLU 99 N 0.96 0.52 -0.59 0.81 4.81 -0.60 0.41 114.58 120.90 3adr h GLU 99 Ca 0.18 -0.07 -0.05 0.00 -0.13 0.00 0.00 59.36 59.29 3adr h GLU 99 Cb 0.50 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.76 3adr h GLU 99 CO 0.02 0.44 0.16 1.03 -0.73 0.00 0.00 179.01 179.94 3adr h SER 100 N 0.46 0.84 -0.18 1.04 0.87 -1.16 -2.15 113.55 113.28 3adr h SER 100 Ca 0.13 -0.15 -0.03 0.00 -1.23 0.00 0.00 61.79 60.51 3adr h SER 100 Cb 0.08 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 61.81 3adr h SER 100 CO -0.02 0.81 0.00 0.00 -0.53 0.00 0.00 176.83 177.09 3adr h ALA 101 N 1.30 0.24 -0.89 6.23 0.00 -0.80 -3.00 119.26 122.34 3adr h ALA 101 Ca 0.19 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3adr h ALA 101 Cb 0.29 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 3adr h ALA 101 CO -0.00 -0.06 0.54 1.49 0.00 0.00 0.00 179.25 181.22 3adr h GLU 102 N 0.07 1.20 -0.98 0.00 4.22 -0.77 0.12 114.58 118.44 3adr h GLU 102 Ca 0.05 -0.10 0.02 0.00 0.08 0.00 0.00 59.36 59.41 3adr h GLU 102 Cb 0.37 -0.25 -0.05 0.00 0.50 0.00 0.00 28.75 29.32 3adr h GLU 102 CO 0.01 0.83 0.64 0.87 -2.18 0.00 0.00 179.01 179.19 3adr h LYS 103 N 1.22 1.25 0.16 1.92 1.57 -1.34 -0.73 116.57 120.61 3adr h LYS 103 Ca 0.32 -0.08 -0.33 0.00 -1.87 0.00 0.00 60.65 58.69 3adr h LYS 103 Cb -0.06 -0.28 0.00 0.00 0.08 0.00 0.00 32.23 31.97 3adr h LYS 103 CO -0.06 0.83 -1.67 0.28 -0.57 0.00 0.00 179.45 178.25 3adr h VAL 104 N 1.29 1.01 0.00 0.50 2.07 -1.33 -3.39 116.25 116.40 3adr h VAL 104 Ca 0.37 -2.62 -0.08 0.00 0.82 0.00 0.00 66.70 65.18 3adr h VAL 104 Cb -0.09 2.75 -0.01 0.00 -1.52 0.00 0.00 31.29 32.41 3adr h VAL 104 CO -0.09 0.83 -0.83 -0.07 0.02 0.00 0.00 177.57 177.43 3adr h LEU 105 N 0.09 0.00 0.00 2.57 3.38 -0.73 -3.49 115.31 117.13 3adr h LEU 105 Ca -0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.66 3adr h LEU 105 Cb 2.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.82 3adr h LEU 105 CO 0.17 0.33 0.00 0.61 0.09 0.00 0.00 178.44 179.64 3adr n GLY 106 N 1.25 3.26 0.31 0.83 0.00 -0.29 -2.06 105.19 108.50 3adr n GLY 106 Ca -0.02 -0.19 0.14 0.00 0.00 0.00 0.00 46.02 45.95 3adr n GLY 106 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3adr h ASP 107 N 1.70 0.00 0.16 1.61 3.32 -1.95 -1.44 116.42 119.82 3adr h ASP 107 Ca 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 3adr h ASP 107 Cb 0.00 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 3adr h ASP 107 CO 0.00 0.00 -0.03 -0.07 -1.72 0.00 0.00 179.24 177.42 3adr h LEU 108 N 0.00 0.00 -0.84 1.55 3.38 -1.82 -2.26 115.31 115.33 3adr h LEU 108 Ca 0.07 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.13 3adr h LEU 108 Cb 0.33 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.01 3adr h LEU 108 CO -0.00 0.03 0.50 0.22 0.09 0.00 0.00 178.44 179.28 3adr h TYR 109 N 0.00 0.90 0.00 1.13 3.20 -1.42 -0.23 116.97 120.56 3adr h TYR 109 Ca -0.00 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.88 3adr h TYR 109 Cb 0.12 -0.28 -0.00 0.00 1.54 0.00 0.00 36.73 38.11 3adr h TYR 109 CO 0.00 0.40 -0.19 1.88 -1.64 0.00 0.00 178.16 178.61 3adr h TYR 110 N 0.85 0.00 0.01 -3.82 0.05 -1.60 0.26 116.97 112.72 3adr h TYR 110 Ca 0.39 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 59.17 3adr h TYR 110 Cb 0.31 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.05 3adr h TYR 110 CO -0.05 0.07 -0.00 0.28 -1.05 0.00 0.00 178.16 177.41 3adr h VAL 111 N 0.00 1.50 -0.02 -2.88 2.07 -1.23 -3.33 116.25 112.35 3adr h VAL 111 Ca -0.00 -1.53 -0.06 0.00 0.82 0.00 0.00 66.70 65.93 3adr h VAL 111 Cb 1.05 2.53 0.00 0.00 -1.52 0.00 0.00 31.29 33.36 3adr h VAL 111 CO 0.01 0.39 -0.21 1.88 0.02 0.00 0.00 177.57 179.67 3adr h TYR 112 N -0.67 0.25 0.00 1.57 0.05 -1.15 -3.43 116.97 113.59 3adr h TYR 112 Ca -0.00 -0.12 0.00 0.00 0.05 0.00 0.00 58.73 58.66 3adr h TYR 112 Cb 0.65 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 38.36 3adr h TYR 112 CO 0.15 0.87 0.00 0.41 -1.05 0.00 0.00 178.16 178.55 3adr n GLY 113 N 0.87 2.01 3.84 3.88 0.00 0.93 -1.02 105.19 115.71 3adr n GLY 113 Ca -0.09 -1.43 -0.29 0.00 0.00 0.00 0.00 46.02 44.21 3adr n GLY 113 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3adr s GLY 114 N 0.00 1.59 -0.09 -0.02 0.00 -1.25 -4.15 107.32 103.41 3adr s GLY 114 Ca 0.00 -0.52 -0.29 0.00 0.00 0.00 0.00 44.72 43.91 3adr s GLY 114 CO 0.00 -0.02 1.83 1.08 0.00 0.00 0.00 173.10 175.99 3adr s LEU 115 N -5.77 4.14 0.02 0.66 1.02 -1.26 -4.83 118.68 112.67 3adr s LEU 115 Ca 0.62 2.19 -0.14 0.00 0.02 0.00 0.00 54.13 56.82 3adr s LEU 115 Cb -0.13 -3.53 -0.08 0.00 0.02 0.00 0.00 46.19 42.47 3adr s LEU 115 CO 0.52 -1.19 1.21 -0.08 0.02 0.00 0.00 176.35 176.83 3adr h GLU 116 N 10.95 -0.48 -4.67 1.70 4.81 -1.92 -3.47 114.58 121.50 3adr h GLU 116 Ca -0.42 0.03 -0.25 0.00 -0.13 0.00 0.00 59.36 58.59 3adr h GLU 116 Cb 1.20 0.11 -0.15 0.00 0.63 0.00 0.00 28.75 30.54 3adr h GLU 116 CO 0.96 -0.32 -0.65 -1.59 -0.73 0.00 0.00 179.01 176.68 3adr s LYS 117 N -4.12 1.08 0.66 1.92 -2.85 -1.26 -5.16 119.74 110.01 3adr s LYS 117 Ca -0.07 -1.53 -0.13 0.00 -1.00 0.00 0.00 55.97 53.24 3adr s LYS 117 Cb 0.01 -0.06 -0.01 0.00 -2.06 0.00 0.00 37.83 35.71 3adr s LYS 117 CO 0.23 -0.21 1.06 -1.59 0.10 0.00 0.00 175.35 174.94 3adr s LYS 118 N -3.99 3.02 0.11 1.78 -2.85 -1.26 -4.84 119.74 111.72 3adr s LYS 118 Ca 0.26 1.09 0.03 0.00 -1.00 0.00 0.00 55.97 56.35 3adr s LYS 118 Cb 0.07 -2.00 -0.04 0.00 -2.06 0.00 0.00 37.83 33.80 3adr s LYS 118 CO 0.04 -1.04 0.15 -0.51 0.10 0.00 0.00 175.35 174.10 3adr s LEU 119 N -5.14 3.99 0.29 2.77 1.43 -0.07 -5.00 118.68 116.95 3adr s LEU 119 Ca 0.61 0.04 -0.29 0.00 -1.03 0.00 0.00 54.13 53.45 3adr s LEU 119 Cb -0.15 -2.62 -0.10 0.00 0.03 0.00 0.00 46.19 43.34 3adr s LEU 119 CO 0.47 0.12 1.39 -1.81 0.23 0.00 0.00 176.35 176.75 3adr s ASP 120 N -2.77 6.68 0.24 2.29 1.01 -1.26 -4.35 116.67 118.51 3adr s ASP 120 Ca 0.32 2.70 -0.05 0.00 0.71 0.00 0.00 52.55 56.22 3adr s ASP 120 Cb -0.11 -2.64 0.36 0.00 1.01 0.00 0.00 42.92 41.54 3adr s ASP 120 CO 0.25 -0.65 1.82 1.56 0.21 0.00 0.00 175.17 178.36 3adr h GLN 121 N 4.26 0.79 0.00 8.23 4.20 -1.94 -1.92 115.11 128.73 3adr h GLN 121 Ca -0.47 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.19 3adr h GLN 121 Cb 1.22 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 28.82 3adr h GLN 121 CO 0.72 0.52 0.00 -0.40 -0.67 0.00 0.00 178.83 179.00 3adr n ASP 122 N -4.72 0.00 -0.68 1.46 5.75 -1.26 -2.29 116.55 114.80 3adr n ASP 122 Ca 0.13 -0.11 0.09 0.00 -0.01 0.00 0.00 54.79 54.89 3adr n ASP 122 Cb 0.24 -0.19 0.06 0.00 -1.03 0.00 0.00 41.12 40.21 3adr n ASP 122 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3adr n LYS 123 N -1.19 1.61 -4.80 0.11 5.02 -0.72 -4.91 118.16 113.29 3adr n LYS 123 Ca 0.08 -1.45 -0.33 0.00 -2.02 0.00 0.00 58.31 54.59 3adr n LYS 123 Cb 0.09 -1.36 -0.16 0.00 -0.02 0.00 0.00 35.03 33.58 3adr n LYS 123 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3adr s VAL 124 N -1.69 2.25 -0.12 -0.18 1.01 -0.97 -0.00 120.40 120.70 3adr s VAL 124 Ca 0.20 -0.93 0.03 0.00 0.00 0.00 0.00 61.98 61.28 3adr s VAL 124 Cb 0.15 -1.90 -0.00 0.00 0.00 0.00 0.00 36.38 34.63 3adr s VAL 124 CO 0.28 0.54 -0.21 -0.63 0.00 0.00 0.00 175.10 175.09 3adr s ILE 125 N 0.66 2.31 0.21 2.22 1.01 0.96 -4.93 121.20 123.63 3adr s ILE 125 Ca -0.10 -0.92 -0.25 0.00 0.00 0.00 0.00 60.65 59.38 3adr s ILE 125 Cb -0.16 -1.92 -0.08 0.00 0.01 0.00 0.00 42.46 40.31 3adr s ILE 125 CO 0.02 0.55 0.81 -1.61 0.00 0.00 0.00 174.94 174.71 3adr s GLU 126 N 0.49 4.56 0.09 2.79 2.02 -1.26 -1.98 118.70 125.40 3adr s GLU 126 Ca -0.14 1.17 0.05 0.00 0.02 0.00 0.00 54.97 56.08 3adr s GLU 126 Cb -0.17 -3.14 -0.03 0.00 0.10 0.00 0.00 34.13 30.89 3adr s GLU 126 CO 0.05 0.50 -0.13 0.14 0.02 0.00 0.00 175.26 175.84 3adr s VAL 127 N -1.28 1.11 -0.07 2.63 -7.23 -0.12 -4.83 120.40 110.61 3adr s VAL 127 Ca 0.39 -1.50 0.19 0.00 -1.81 0.00 0.00 61.98 59.25 3adr s VAL 127 Cb -0.22 -1.26 0.16 0.00 0.56 0.00 0.00 36.38 35.62 3adr s VAL 127 CO 0.26 -0.37 1.61 -0.33 -0.31 0.00 0.00 175.10 175.95 3adr h GLU 128 N 3.88 0.00 0.00 4.82 4.39 -1.96 0.17 114.58 125.89 3adr h GLU 128 Ca -0.39 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.31 3adr h GLU 128 Cb 1.19 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.84 3adr h GLU 128 CO 0.46 0.35 0.00 0.41 -1.16 0.00 0.00 179.01 179.07 3adr n GLY 129 N 0.79 1.47 0.00 -3.84 0.00 -1.26 -4.78 105.19 97.57 3adr n GLY 129 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3adr n GLY 129 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3adr n ASN 130 N 0.00 0.00 -4.77 1.61 0.23 -1.24 -1.37 115.26 109.72 3adr n ASN 130 Ca 0.00 -1.00 -0.35 0.00 -0.53 0.00 0.00 54.58 52.70 3adr n ASN 130 Cb 0.00 0.00 0.01 0.00 -2.08 0.00 0.00 39.78 37.71 3adr n ASN 130 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 3adr s GLU 131 N 0.00 3.24 0.05 -3.83 8.01 -1.26 -4.63 118.70 120.28 3adr s GLU 131 Ca 0.00 1.68 0.08 0.00 0.01 0.00 0.00 54.97 56.75 3adr s GLU 131 Cb 0.00 -1.99 -0.03 0.00 -4.31 0.00 0.00 34.13 27.80 3adr s GLU 131 CO 0.00 -0.96 -0.23 -1.21 0.01 0.00 0.00 175.26 172.88 3adr s GLU 132 N -3.29 1.90 0.00 1.61 2.02 -1.26 -1.26 118.70 118.42 3adr s GLU 132 Ca 0.74 -1.07 0.02 0.00 0.02 0.00 0.00 54.97 54.68 3adr s GLU 132 Cb -0.26 -2.07 -0.01 0.00 0.10 0.00 0.00 34.13 31.89 3adr s GLU 132 CO 0.29 0.52 -0.06 -0.06 0.02 0.00 0.00 175.26 175.97 3adr s PHE 133 N -0.88 0.57 -0.49 1.61 0.08 -1.26 -5.00 117.98 112.61 3adr s PHE 133 Ca 0.13 -0.15 -0.17 0.00 0.12 0.00 0.00 56.93 56.87 3adr s PHE 133 Cb -0.10 -0.36 0.07 0.00 -0.57 0.00 0.00 43.02 42.06 3adr s PHE 133 CO 0.04 -0.02 0.48 0.34 -0.10 0.00 0.00 175.22 175.96 3adr s ASP 134 N -0.32 6.17 0.00 1.36 2.15 -1.26 -4.53 116.67 120.24 3adr s ASP 134 Ca 0.01 -1.19 0.30 0.00 0.43 0.00 0.00 52.55 52.09 3adr s ASP 134 Cb -0.03 -2.22 1.36 0.00 -0.30 0.00 0.00 42.92 41.72 3adr s ASP 134 CO -0.00 -0.74 1.98 0.18 -0.17 0.00 0.00 175.17 176.42 3adr n LEU 135 N 5.54 0.01 -0.64 -1.34 4.77 -0.22 -4.62 117.00 120.50 3adr n LEU 135 Ca -0.10 0.40 0.00 0.00 -0.03 0.00 0.00 56.01 56.27 3adr n LEU 135 Cb 0.44 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 3adr n LEU 135 CO 0.50 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 3adr n GLY 136 N 1.40 -0.91 0.74 -0.72 0.00 -1.26 -0.29 105.19 104.16 3adr n GLY 136 Ca 0.10 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.63 3adr n GLY 136 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3adr n GLY 137 N -0.06 0.71 3.22 -0.02 0.00 -1.26 -0.98 105.19 106.79 3adr n GLY 137 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 3adr n GLY 137 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3adr s TYR 138 N -2.32 -0.17 0.34 1.61 2.02 -1.26 -5.05 117.35 112.52 3adr s TYR 138 Ca 0.00 0.30 0.01 0.00 -0.37 0.00 0.00 57.07 57.00 3adr s TYR 138 Cb 0.00 0.08 0.01 0.00 -0.40 0.00 0.00 41.96 41.65 3adr s TYR 138 CO 0.00 -0.34 0.08 0.54 -1.57 0.00 0.00 175.55 174.25 3adr n ARG 139 N 1.53 1.12 0.00 -0.62 1.74 -1.26 -1.05 116.66 118.11 3adr n ARG 139 Ca -0.21 -2.40 0.00 0.00 -0.77 0.00 0.00 57.85 54.48 3adr n ARG 139 Cb 0.56 0.54 0.00 0.00 -1.02 0.00 0.00 32.46 32.54 3adr n ARG 139 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 3adr n ARG 141 N -0.99 0.00 -3.13 5.56 0.63 0.53 -0.64 116.66 118.62 3adr n ARG 141 Ca -0.10 0.00 -0.33 0.00 -0.92 0.00 0.00 57.85 56.50 3adr n ARG 141 Cb 0.42 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 33.27 3adr n ARG 141 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 3adr s LEU 142 N 0.00 4.08 -0.05 6.15 1.43 -0.39 -0.85 118.68 129.05 3adr s LEU 142 Ca 0.00 1.29 -0.01 0.00 -1.03 0.00 0.00 54.13 54.38 3adr s LEU 142 Cb 0.00 -4.05 0.03 0.00 0.03 0.00 0.00 46.19 42.20 3adr s LEU 142 CO 0.00 -0.19 0.02 -0.63 0.23 0.00 0.00 176.35 175.78 3adr s ILE 143 N -1.95 0.15 -0.09 -0.59 1.01 -0.46 -3.67 121.20 115.60 3adr s ILE 143 Ca 0.53 0.23 -0.30 0.00 0.00 0.00 0.00 60.65 61.12 3adr s ILE 143 Cb -0.11 -0.33 -0.03 0.00 0.01 0.00 0.00 42.46 42.00 3adr s ILE 143 CO 0.18 0.20 1.35 -0.47 0.00 0.00 0.00 174.94 176.20 3adr s TYR 144 N 1.83 2.76 -0.49 3.97 5.04 -0.47 0.08 117.35 130.07 3adr s TYR 144 Ca 0.02 0.87 0.08 0.00 -2.44 0.00 0.00 57.07 55.59 3adr s TYR 144 Cb -0.12 -3.59 0.28 0.00 0.35 0.00 0.00 41.96 38.88 3adr s TYR 144 CO -0.04 -2.15 0.70 0.25 -1.34 0.00 0.00 175.55 172.97 3adr n THR 145 N 5.10 0.97 -0.94 4.34 -2.24 -0.51 -4.89 114.28 116.11 3adr n THR 145 Ca 0.14 -4.75 -0.29 0.00 -2.27 0.00 0.00 64.05 56.88 3adr n THR 145 Cb 0.44 -1.60 0.19 0.00 -2.10 0.00 0.00 70.33 67.26 3adr n THR 145 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3adr s PRO 146 N -2.19 0.35 0.00 -0.78 0.04 -1.23 -4.51 135.00 126.69 3adr s PRO 146 Ca 0.40 0.83 0.00 0.00 0.04 0.00 0.00 61.00 62.27 3adr s PRO 146 Cb 0.21 -1.70 0.00 0.00 0.04 0.00 0.00 34.50 33.05 3adr s PRO 146 CO -0.08 -2.87 0.00 0.41 0.04 0.00 0.00 177.00 174.50 3adr n GLY 147 N -0.38 2.92 0.26 0.56 0.00 -1.26 -3.80 105.19 103.49 3adr n GLY 147 Ca 0.06 -0.60 -0.04 0.00 0.00 0.00 0.00 46.02 45.44 3adr n GLY 147 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3adr h HIS 148 N 0.00 0.70 -1.96 1.61 -0.00 -1.86 -0.70 115.15 112.95 3adr h HIS 148 Ca 0.00 -0.12 0.07 0.00 -0.00 0.00 0.00 60.37 60.32 3adr h HIS 148 Cb 0.00 -0.18 -0.19 0.00 -0.00 0.00 0.00 27.41 27.04 3adr h HIS 148 CO 0.00 0.74 0.47 0.00 -0.00 0.00 0.00 177.93 179.15 3adr s ALA 149 N -4.74 -1.86 0.25 5.26 0.00 -1.26 -4.66 121.76 114.75 3adr s ALA 149 Ca -0.08 1.28 0.35 0.00 0.00 0.00 0.00 51.96 53.51 3adr s ALA 149 Cb 0.14 -0.10 1.57 0.00 0.00 0.00 0.00 23.12 24.72 3adr s ALA 149 CO 0.80 -0.49 2.06 0.00 0.00 0.00 0.00 175.76 178.14 3adr h ARG 150 N 2.36 0.00 -0.66 0.00 3.08 -1.95 -2.64 114.38 114.57 3adr h ARG 150 Ca -0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.84 3adr h ARG 150 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.25 3adr h ARG 150 CO 0.32 0.03 0.00 -2.39 -1.07 0.00 0.00 179.97 176.86 3adr n HIS 151 N -3.16 1.42 -2.21 3.04 1.44 -1.26 -4.84 115.22 109.65 3adr n HIS 151 Ca -0.00 -0.57 -0.27 0.00 -2.01 0.00 0.00 57.72 54.87 3adr n HIS 151 Cb 0.26 -0.22 0.05 0.00 0.12 0.00 0.00 29.99 30.20 3adr n HIS 151 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 3adr s HIS 152 N -1.79 3.12 0.17 -1.40 5.04 -0.99 -4.27 115.29 115.17 3adr s HIS 152 Ca 0.49 0.65 -0.11 0.00 -1.54 0.00 0.00 55.06 54.55 3adr s HIS 152 Cb 0.31 -3.01 0.00 0.00 0.04 0.00 0.00 32.58 29.93 3adr s HIS 152 CO 0.24 -1.16 0.34 -1.12 -2.34 0.00 0.00 174.74 170.71 3adr s SER 154 N -4.41 -0.04 -0.06 9.88 0.01 0.11 -1.42 113.70 117.78 3adr s SER 154 Ca 0.57 -0.76 0.02 0.00 1.31 0.00 0.00 55.95 57.10 3adr s SER 154 Cb -0.11 0.47 0.02 0.00 0.21 0.00 0.00 66.02 66.61 3adr s SER 154 CO 0.46 -0.93 -0.10 -0.69 0.41 0.00 0.00 173.24 172.39 3adr s VAL 155 N -3.94 0.97 -0.20 3.43 1.01 0.04 -1.35 120.40 120.35 3adr s VAL 155 Ca 0.14 -0.38 -0.04 0.00 0.00 0.00 0.00 61.98 61.70 3adr s VAL 155 Cb 0.02 -0.90 -0.02 0.00 0.00 0.00 0.00 36.38 35.48 3adr s VAL 155 CO -0.01 0.32 -0.03 -0.22 0.00 0.00 0.00 175.10 175.15 3adr s LEU 156 N 0.71 3.06 -0.30 3.92 2.96 -0.03 0.00 118.68 129.00 3adr s LEU 156 Ca -0.14 -0.29 0.03 0.00 -0.22 0.00 0.00 54.13 53.52 3adr s LEU 156 Cb -0.15 -1.77 0.08 0.00 0.50 0.00 0.00 46.19 44.85 3adr s LEU 156 CO 0.03 0.04 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.39 3adr s VAL 157 N 1.11 2.27 0.00 1.68 1.01 0.16 -0.35 120.40 126.29 3adr s VAL 157 Ca 0.02 -1.99 0.00 0.00 0.00 0.00 0.00 61.98 60.01 3adr s VAL 157 Cb -0.15 -2.51 0.00 0.00 0.00 0.00 0.00 36.38 33.72 3adr s VAL 157 CO 0.00 -0.33 0.00 0.47 0.00 0.00 0.00 175.10 175.25 3adr n ASP 158 N 4.35 0.00 -1.34 3.32 8.00 0.19 -0.80 116.55 130.27 3adr n ASP 158 Ca -0.05 0.00 0.08 0.00 0.71 0.00 0.00 54.79 55.53 3adr n ASP 158 Cb 0.42 0.00 0.32 0.00 -0.02 0.00 0.00 41.12 41.84 3adr n ASP 158 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 3adr n ASP 159 N 9.00 4.68 -4.75 -2.24 5.68 -1.26 -4.91 116.55 122.74 3adr n ASP 159 Ca 0.00 -2.91 -0.35 0.00 -0.50 0.00 0.00 54.79 51.02 3adr n ASP 159 Cb 0.00 -0.59 -0.08 0.00 -1.14 0.00 0.00 41.12 39.31 3adr n ASP 159 CO 0.00 0.00 0.00 -0.36 -1.33 0.00 0.00 177.20 175.51 3adr s PHE 160 N -2.68 3.44 -0.20 2.11 0.08 0.02 -0.28 117.98 120.47 3adr s PHE 160 Ca 0.47 0.35 0.01 0.00 0.12 0.00 0.00 56.93 57.88 3adr s PHE 160 Cb 0.36 -2.12 0.02 0.00 -0.57 0.00 0.00 43.02 40.72 3adr s PHE 160 CO 0.13 0.36 -0.16 -1.17 -0.10 0.00 0.00 175.22 174.28 3adr s LEU 161 N 0.13 2.47 -0.41 -0.37 2.96 -0.75 -0.66 118.68 122.05 3adr s LEU 161 Ca 0.09 -0.75 -0.15 0.00 -0.22 0.00 0.00 54.13 53.10 3adr s LEU 161 Cb -0.11 -1.53 0.02 0.00 0.50 0.00 0.00 46.19 45.07 3adr s LEU 161 CO -0.01 -0.04 0.31 -0.36 -1.32 0.00 0.00 176.35 174.93 3adr s PHE 162 N 1.28 3.23 -2.55 5.38 0.08 0.10 -0.09 117.98 125.42 3adr s PHE 162 Ca 0.03 -0.55 0.24 0.00 0.12 0.00 0.00 56.93 56.77 3adr s PHE 162 Cb -0.14 -2.61 0.68 0.00 -0.57 0.00 0.00 43.02 40.38 3adr s PHE 162 CO -0.10 -0.59 1.53 0.25 -0.10 0.00 0.00 175.22 176.21 3adr n THR 163 N 5.18 0.13 0.00 0.64 -2.24 -0.92 -0.78 114.28 116.28 3adr n THR 163 Ca -0.11 -0.41 0.00 0.00 -2.27 0.00 0.00 64.05 61.27 3adr n THR 163 Cb 0.47 0.76 0.00 0.00 -2.10 0.00 0.00 70.33 69.46 3adr n THR 163 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3adr n GLY 164 N 1.25 3.82 0.66 3.38 0.00 -1.26 -1.26 105.19 111.78 3adr n GLY 164 Ca 0.17 0.15 0.04 0.00 0.00 0.00 0.00 46.02 46.39 3adr n GLY 164 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3adr n ASP 165 N 6.92 2.30 -0.60 1.61 9.92 -1.26 -2.38 116.55 133.05 3adr n ASP 165 Ca 0.00 -3.59 0.11 0.00 -0.53 0.00 0.00 54.79 50.78 3adr n ASP 165 Cb 0.00 -0.54 0.03 0.00 -0.64 0.00 0.00 41.12 39.97 3adr n ASP 165 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 3adr n SER 166 N -1.13 2.23 -0.50 -2.24 3.41 -0.39 -4.54 113.62 110.46 3adr n SER 166 Ca 0.22 -1.62 0.02 0.00 -0.26 0.00 0.00 58.87 57.24 3adr n SER 166 Cb 0.79 0.32 0.02 0.00 -0.26 0.00 0.00 64.21 65.09 3adr n SER 166 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3adr n ALA 167 N 0.38 2.08 0.00 7.33 0.00 -1.26 -4.43 120.51 124.61 3adr n ALA 167 Ca 0.10 -1.35 0.00 0.00 0.00 0.00 0.00 53.44 52.19 3adr n ALA 167 Cb 0.47 -0.49 0.00 0.00 0.00 0.00 0.00 19.45 19.43 3adr n ALA 167 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3adr n GLY 168 N -0.20 1.31 3.28 0.00 0.00 -1.26 -4.86 105.19 103.46 3adr n GLY 168 Ca 0.03 -2.10 -0.15 0.00 0.00 0.00 0.00 46.02 43.80 3adr n GLY 168 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3adr s ALA 169 N -1.64 1.55 -0.18 4.61 0.00 0.15 -4.75 121.76 121.50 3adr s ALA 169 Ca 0.00 -1.63 -0.08 0.00 0.00 0.00 0.00 51.96 50.25 3adr s ALA 169 Cb 0.00 0.40 0.07 0.00 0.00 0.00 0.00 23.12 23.59 3adr s ALA 169 CO 0.00 -0.24 0.41 -0.47 0.00 0.00 0.00 175.76 175.46 3adr s TYR 170 N -3.48 -0.67 -0.03 0.00 5.04 -0.55 -0.85 117.35 116.81 3adr s TYR 170 Ca 0.24 1.37 -0.01 0.00 -2.44 0.00 0.00 57.07 56.22 3adr s TYR 170 Cb 0.05 0.27 0.03 0.00 0.35 0.00 0.00 41.96 42.66 3adr s TYR 170 CO 0.05 -0.39 0.06 -0.06 -1.34 0.00 0.00 175.55 173.86 3adr s PHE 171 N 1.85 0.00 -1.42 4.97 0.08 -0.60 -3.93 117.98 118.94 3adr s PHE 171 Ca -0.07 0.22 -0.01 0.00 0.12 0.00 0.00 56.93 57.20 3adr s PHE 171 Cb -0.10 -0.26 0.00 0.00 -0.57 0.00 0.00 43.02 42.09 3adr s PHE 171 CO -0.13 -0.13 0.36 0.09 -0.10 0.00 0.00 175.22 175.32 3adr n ASN 172 N 4.44 -0.26 0.00 1.36 4.13 -1.26 -1.03 115.26 122.64 3adr n ASN 172 Ca -0.22 -1.06 0.00 0.00 1.68 0.00 0.00 54.58 54.98 3adr n ASN 172 Cb 0.50 -2.80 0.00 0.00 -1.54 0.00 0.00 39.78 35.94 3adr n ASN 172 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3adr n GLY 173 N -2.08 0.34 3.27 7.41 0.00 -1.26 -4.87 105.19 108.00 3adr n GLY 173 Ca -0.31 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.38 3adr n GLY 173 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3adr s VAL 174 N -1.72 2.70 -0.02 1.61 1.01 -0.20 -5.10 120.40 118.68 3adr s VAL 174 Ca 0.00 -0.76 -0.30 0.00 0.00 0.00 0.00 61.98 60.92 3adr s VAL 174 Cb 0.00 -2.14 -0.03 0.00 0.00 0.00 0.00 36.38 34.21 3adr s VAL 174 CO 0.00 0.51 1.08 -0.69 0.00 0.00 0.00 175.10 176.00 3adr s VAL 175 N 0.83 4.55 -0.08 2.92 1.01 -1.26 -1.55 120.40 126.82 3adr s VAL 175 Ca -0.05 1.83 0.05 0.00 0.00 0.00 0.00 61.98 63.82 3adr s VAL 175 Cb -0.15 -4.18 -0.00 0.00 0.00 0.00 0.00 36.38 32.05 3adr s VAL 175 CO -0.00 0.08 -0.24 -0.63 0.00 0.00 0.00 175.10 174.31 3adr s ILE 176 N 1.50 2.02 0.16 2.22 1.01 -0.03 -4.98 121.20 123.10 3adr s ILE 176 Ca 0.53 -1.02 -0.30 0.00 0.00 0.00 0.00 60.65 59.86 3adr s ILE 176 Cb -0.23 -1.73 -0.08 0.00 0.01 0.00 0.00 42.46 40.44 3adr s ILE 176 CO 0.25 0.56 1.26 -2.16 0.00 0.00 0.00 174.94 174.84 3adr s PRO 177 N 0.10 4.43 -1.20 2.79 0.04 -1.26 -0.67 135.00 139.22 3adr s PRO 177 Ca -0.11 1.94 -0.07 0.00 0.04 0.00 0.00 61.00 62.80 3adr s PRO 177 Cb -0.16 -3.24 0.22 0.00 0.04 0.00 0.00 34.50 31.36 3adr s PRO 177 CO 0.06 -0.21 1.78 0.25 0.04 0.00 0.00 177.00 178.92 3adr n THR 178 N 2.93 4.87 -2.82 1.26 -2.24 -1.26 -4.77 114.28 112.25 3adr n THR 178 Ca 0.06 -5.03 -0.20 0.00 -2.27 0.00 0.00 64.05 56.61 3adr n THR 178 Cb 0.44 -2.19 -0.01 0.00 -2.10 0.00 0.00 70.33 66.47 3adr n THR 178 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3adr n THR 179 N 2.30 1.59 -1.80 4.28 -2.24 -1.26 -4.84 114.28 112.30 3adr n THR 179 Ca 0.37 -4.56 -0.33 0.00 -2.27 0.00 0.00 64.05 57.26 3adr n THR 179 Cb 0.34 -0.58 0.04 0.00 -2.10 0.00 0.00 70.33 68.03 3adr n THR 179 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3adr s PRO 180 N -3.15 2.93 0.26 -0.78 0.04 -1.26 -2.86 135.00 130.18 3adr s PRO 180 Ca 0.41 1.30 -0.31 0.00 0.04 0.00 0.00 61.00 62.44 3adr s PRO 180 Cb 0.37 -1.97 -0.12 0.00 0.04 0.00 0.00 34.50 32.82 3adr s PRO 180 CO -0.09 -1.14 1.59 -2.30 0.04 0.00 0.00 177.00 175.11 3adr n PRO 181 N -2.41 2.59 -4.54 0.56 -0.02 -1.26 -3.62 135.00 126.29 3adr n PRO 181 Ca 0.10 0.92 -0.26 0.00 -2.02 0.00 0.00 63.50 62.24 3adr n PRO 181 Cb 0.52 -2.70 -0.17 0.00 -0.02 0.00 0.00 33.50 31.14 3adr n PRO 181 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3adr s VAL 182 N 0.29 1.26 0.30 -1.45 0.11 -1.26 -4.98 120.40 114.66 3adr s VAL 182 Ca 0.68 -0.53 -0.02 0.00 -2.93 0.00 0.00 61.98 59.17 3adr s VAL 182 Cb -0.53 -1.16 -0.04 0.00 -1.53 0.00 0.00 36.38 33.12 3adr s VAL 182 CO 0.45 0.39 0.53 0.27 -3.33 0.00 0.00 175.10 173.40 3adr s ILE 183 N 0.80 5.08 -0.67 7.04 -4.36 -1.24 -4.86 121.20 123.00 3adr s ILE 183 Ca -0.12 -0.19 -0.16 0.00 -0.26 0.00 0.00 60.65 59.93 3adr s ILE 183 Cb -0.15 -3.78 0.15 0.00 1.25 0.00 0.00 42.46 39.92 3adr s ILE 183 CO 0.02 -0.39 0.68 -0.62 0.24 0.00 0.00 174.94 174.86 3adr s ASP 184 N -3.48 6.39 0.21 4.36 -1.08 -0.27 -4.90 116.67 117.89 3adr s ASP 184 Ca 0.42 -1.98 -0.16 0.00 -0.52 0.00 0.00 52.55 50.31 3adr s ASP 184 Cb -0.10 -2.25 0.22 0.00 -1.46 0.00 0.00 42.92 39.33 3adr s ASP 184 CO 0.32 -0.86 1.60 0.22 0.52 0.00 0.00 175.17 176.98 3adr h TYR 185 N 8.64 -0.59 0.00 -5.34 3.20 -1.88 0.66 116.97 121.67 3adr h TYR 185 Ca -0.15 0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.79 3adr h TYR 185 Cb 1.07 0.36 0.00 0.00 1.54 0.00 0.00 36.73 39.70 3adr h TYR 185 CO 0.88 -0.33 0.00 1.63 -1.64 0.00 0.00 178.16 178.69 3adr n LYS 186 N -5.46 0.02 -0.75 1.82 4.76 -1.26 -4.64 118.16 112.65 3adr n LYS 186 Ca 0.07 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.51 3adr n LYS 186 Cb 0.36 -1.01 0.00 0.00 -1.84 0.00 0.00 35.03 32.54 3adr n LYS 186 CO 0.00 0.00 0.00 0.98 -1.37 0.00 0.00 177.40 177.01 3adr n TYR 188 N 0.36 -0.70 0.00 2.13 9.36 0.22 -4.69 117.16 123.84 3adr n TYR 188 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 3adr n TYR 188 Cb 0.00 -0.65 0.00 0.00 -0.63 0.00 0.00 39.34 38.07 3adr n TYR 188 CO 0.00 0.00 0.00 -1.91 0.22 0.00 0.00 176.86 175.17 3adr n GLU 190 N -0.73 0.00 -0.08 2.98 0.00 -1.26 -1.41 120.64 120.13 3adr n GLU 190 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 57.16 57.11 3adr n GLU 190 Cb 0.03 0.00 0.16 0.00 0.00 0.00 0.00 31.44 31.63 3adr n GLU 190 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.13 177.90 3adr h SER 191 N 0.00 0.71 -0.15 4.31 0.02 -1.83 -1.06 113.55 115.55 3adr h SER 191 Ca 0.00 -0.19 -0.03 0.00 -0.84 0.00 0.00 61.79 60.73 3adr h SER 191 Cb 0.00 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.35 3adr h SER 191 CO 0.00 0.83 -0.02 0.25 -1.14 0.00 0.00 176.83 176.75 3adr h LEU 192 N 0.67 0.27 -0.74 5.07 5.85 -1.45 -2.04 115.31 122.93 3adr h LEU 192 Ca 0.12 -0.34 -0.01 0.00 0.84 0.00 0.00 57.88 58.49 3adr h LEU 192 Cb 0.53 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.45 3adr h LEU 192 CO 0.03 0.54 0.42 0.11 -0.34 0.00 0.00 178.44 179.21 3adr h LYS 193 N -0.00 1.03 -0.79 1.25 1.57 -1.79 -1.16 116.57 116.67 3adr h LYS 193 Ca 0.04 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 3adr h LYS 193 Cb 0.41 -0.21 -0.04 0.00 0.08 0.00 0.00 32.23 32.48 3adr h LYS 193 CO 0.01 0.75 0.45 -0.09 -0.57 0.00 0.00 179.45 180.00 3adr h ARG 194 N 1.02 1.09 -0.10 3.15 2.43 -1.12 -1.29 114.38 119.57 3adr h ARG 194 Ca 0.26 -0.11 -0.18 0.00 -0.81 0.00 0.00 59.98 59.14 3adr h ARG 194 Cb 0.01 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 29.33 3adr h ARG 194 CO -0.05 0.79 -0.69 1.96 -1.51 0.00 0.00 179.97 180.48 3adr h GLN 195 N 1.10 0.44 -0.55 0.20 4.20 -0.88 -2.74 115.11 116.88 3adr h GLN 195 Ca 0.28 -0.34 -0.07 0.00 0.06 0.00 0.00 58.65 58.59 3adr h GLN 195 Cb 0.01 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.83 3adr h GLN 195 CO -0.05 0.97 0.07 0.82 -0.67 0.00 0.00 178.83 179.97 3adr h ILE 196 N 0.31 1.24 0.00 2.54 2.04 -0.85 -2.41 117.51 120.38 3adr h ILE 196 Ca -0.02 -0.96 0.00 0.00 1.00 0.00 0.00 64.86 64.88 3adr h ILE 196 Cb 1.25 0.75 0.00 0.00 -0.74 0.00 0.00 36.82 38.08 3adr h ILE 196 CO 0.12 0.35 0.00 -0.33 0.00 0.00 0.00 178.15 178.29 3adr h GLU 197 N 0.84 0.00 0.00 2.37 5.08 -1.01 -2.44 114.58 119.42 3adr h GLU 197 Ca 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 3adr h GLU 197 Cb 0.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 3adr h GLU 197 CO 0.01 0.00 0.00 -0.07 -1.00 0.00 0.00 179.01 177.95 3adr h LEU 198 N 0.00 0.00 -2.70 1.33 3.38 -1.14 -3.48 115.31 112.70 3adr h LEU 198 Ca 0.00 0.00 -0.44 0.00 0.09 0.00 0.00 57.88 57.53 3adr h LEU 198 Cb 0.37 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.17 3adr h LEU 198 CO 0.00 0.00 -0.91 0.29 0.09 0.00 0.00 178.44 177.91 3adr n LYS 199 N -2.72 -2.21 -1.22 1.13 5.02 -0.92 -4.96 118.16 112.27 3adr n LYS 199 Ca 0.02 0.47 -0.30 0.00 -2.02 0.00 0.00 58.31 56.49 3adr n LYS 199 Cb 0.33 -4.38 0.14 0.00 -0.02 0.00 0.00 35.03 31.10 3adr n LYS 199 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3adr s PRO 200 N -6.09 1.19 -0.01 1.97 0.04 -1.26 -4.97 135.00 125.87 3adr s PRO 200 Ca 0.30 0.77 0.07 0.00 0.04 0.00 0.00 61.00 62.17 3adr s PRO 200 Cb -0.10 -1.81 -0.24 0.00 0.04 0.00 0.00 34.50 32.39 3adr s PRO 200 CO 0.86 -2.27 0.77 1.57 0.04 0.00 0.00 177.00 177.97 3adr h LYS 201 N -1.57 0.08 -3.59 4.56 2.10 -1.01 -3.45 116.57 113.69 3adr h LYS 201 Ca -0.50 -0.13 -0.17 0.00 -2.00 0.00 0.00 60.65 57.86 3adr h LYS 201 Cb 1.29 0.05 -0.23 0.00 -0.90 0.00 0.00 32.23 32.44 3adr h LYS 201 CO 0.55 0.77 -0.56 0.08 -2.00 0.00 0.00 179.45 178.29 3adr s VAL 202 N -2.62 0.06 -0.01 0.07 1.01 -1.23 -4.51 120.40 113.18 3adr s VAL 202 Ca -0.06 -0.52 0.06 0.00 0.00 0.00 0.00 61.98 61.46 3adr s VAL 202 Cb 0.08 -0.32 -0.03 0.00 0.00 0.00 0.00 36.38 36.12 3adr s VAL 202 CO 0.82 -0.28 -0.18 -0.69 0.00 0.00 0.00 175.10 174.77 3adr s VAL 203 N -0.94 2.73 -0.39 2.92 1.01 -0.60 -1.82 120.40 123.31 3adr s VAL 203 Ca -0.10 -0.98 -0.02 0.00 0.00 0.00 0.00 61.98 60.88 3adr s VAL 203 Cb -0.06 -2.07 0.10 0.00 0.00 0.00 0.00 36.38 34.35 3adr s VAL 203 CO 0.01 0.49 0.16 -0.83 0.00 0.00 0.00 175.10 174.93 3adr s GLY 204 N -0.97 1.96 0.38 4.51 0.00 0.87 -0.63 107.32 113.44 3adr s GLY 204 Ca 0.12 -2.47 -0.25 0.00 0.00 0.00 0.00 44.72 42.13 3adr s GLY 204 CO 0.02 0.98 1.03 -1.36 0.00 0.00 0.00 173.10 173.77 3adr s PHE 205 N 1.11 3.36 0.22 1.90 0.08 0.08 -2.18 117.98 122.56 3adr s PHE 205 Ca 0.07 1.67 0.01 0.00 0.12 0.00 0.00 56.93 58.80 3adr s PHE 205 Cb -0.22 -3.09 0.20 0.00 -0.57 0.00 0.00 43.02 39.34 3adr s PHE 205 CO -0.05 -0.45 1.55 0.00 -0.10 0.00 0.00 175.22 176.17 3adr h ALA 206 N 2.66 0.80 -3.37 5.36 0.00 -1.76 -2.96 119.26 119.98 3adr h ALA 206 Ca -0.48 -0.51 -0.67 0.00 0.00 0.00 0.00 54.91 53.25 3adr h ALA 206 Cb 1.21 -0.08 -0.38 0.00 0.00 0.00 0.00 17.79 18.54 3adr h ALA 206 CO 0.63 0.69 -0.59 -1.01 0.00 0.00 0.00 179.25 178.97 3adr s HIS 207 N -3.93 3.55 0.00 0.00 3.76 -1.26 0.10 115.29 117.51 3adr s HIS 207 Ca -0.06 -2.80 0.00 0.00 -0.15 0.00 0.00 55.06 52.05 3adr s HIS 207 Cb 0.12 -3.05 0.00 0.00 1.11 0.00 0.00 32.58 30.75 3adr s HIS 207 CO 0.82 -0.90 0.00 0.41 -0.85 0.00 0.00 174.74 174.21 3adr n GLY 208 N 4.04 1.36 7.00 -2.22 0.00 -1.25 -1.48 105.19 112.64 3adr n GLY 208 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3adr n GLY 208 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3adr n GLY 209 N 0.00 -0.67 3.74 -0.02 0.00 -1.12 -4.83 105.19 102.29 3adr n GLY 209 Ca 0.00 -1.16 -0.41 0.00 0.00 0.00 0.00 46.02 44.45 3adr n GLY 209 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3adr s LEU 210 N 0.00 4.47 0.17 0.99 1.43 -1.26 -0.74 118.68 123.74 3adr s LEU 210 Ca 0.00 2.20 -0.05 0.00 -1.03 0.00 0.00 54.13 55.25 3adr s LEU 210 Cb 0.00 -3.61 -0.02 0.00 0.03 0.00 0.00 46.19 42.59 3adr s LEU 210 CO 0.00 -0.30 0.19 0.68 0.23 0.00 0.00 176.35 177.15 3adr s VAL 211 N -0.27 0.06 0.49 -1.59 -7.23 0.19 -4.94 120.40 107.12 3adr s VAL 211 Ca 0.51 -1.68 -0.19 0.00 -1.81 0.00 0.00 61.98 58.80 3adr s VAL 211 Cb -0.32 -2.07 -0.09 0.00 0.56 0.00 0.00 36.38 34.47 3adr s VAL 211 CO 0.37 -0.27 1.00 -0.94 -0.31 0.00 0.00 175.10 174.95 3adr s SER 212 N -3.04 6.51 0.54 4.85 1.04 -1.26 -1.56 113.70 120.78 3adr s SER 212 Ca 0.24 1.78 0.25 0.00 0.48 0.00 0.00 55.95 58.69 3adr s SER 212 Cb 0.05 -2.54 1.41 0.00 0.10 0.00 0.00 66.02 65.04 3adr s SER 212 CO 0.04 -0.66 2.02 -0.65 0.98 0.00 0.00 173.24 174.96 3adr h PRO 213 N 1.41 0.00 -0.09 4.02 0.11 -1.87 -1.23 132.00 134.36 3adr h PRO 213 Ca -0.49 0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.65 3adr h PRO 213 Cb 1.20 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 3adr h PRO 213 CO 0.60 0.00 0.08 -0.22 -0.21 0.00 0.00 178.00 178.25 3adr h LYS 214 N 0.00 0.00 -1.98 1.05 3.64 -1.96 -3.29 116.57 114.03 3adr h LYS 214 Ca 0.21 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 3adr h LYS 214 Cb 0.88 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.70 3adr h LYS 214 CO -0.00 0.00 0.00 -0.89 -2.27 0.00 0.00 179.45 176.29 3adr n ILE 215 N -4.04 0.09 0.00 2.00 2.08 -0.46 -1.52 119.36 117.50 3adr n ILE 215 Ca -0.01 -0.02 0.00 0.00 0.56 0.00 0.00 62.75 63.28 3adr n ILE 215 Cb 0.19 -0.83 0.00 0.00 -0.75 0.00 0.00 39.64 38.25 3adr n ILE 215 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 3adr n GLU 217 N 1.57 0.00 0.00 0.38 1.02 -1.24 -1.13 120.64 121.24 3adr n GLU 217 Ca 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 57.09 3adr n GLU 217 Cb 0.03 0.00 0.16 0.00 -0.02 0.00 0.00 31.44 31.61 3adr n GLU 217 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 3adr h GLU 218 N 0.00 0.52 -0.38 3.49 5.08 -1.61 -1.70 114.58 119.99 3adr h GLU 218 Ca 0.00 -0.22 -0.15 0.00 -1.00 0.00 0.00 59.36 57.99 3adr h GLU 218 Cb 0.00 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 3adr h GLU 218 CO 0.00 0.76 -0.34 1.25 -1.00 0.00 0.00 179.01 179.68 3adr h HIS 219 N 0.46 1.08 -0.54 4.33 2.76 -1.40 -1.22 115.15 120.62 3adr h HIS 219 Ca 0.06 -0.31 0.04 0.00 -2.20 0.00 0.00 60.37 57.95 3adr h HIS 219 Cb 0.74 -0.23 -0.04 0.00 1.55 0.00 0.00 27.41 29.43 3adr h HIS 219 CO 0.03 1.13 0.30 1.25 -1.30 0.00 0.00 177.93 179.34 3adr h LEU 220 N 0.72 0.46 -0.44 0.26 5.85 -1.75 -1.81 115.31 118.60 3adr h LEU 220 Ca 0.07 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.81 3adr h LEU 220 Cb 0.93 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.86 3adr h LEU 220 CO 0.09 0.32 0.28 0.11 -0.34 0.00 0.00 178.44 178.90 3adr h LYS 221 N 0.59 0.55 -1.23 1.25 1.57 -1.15 -2.08 116.57 116.07 3adr h LYS 221 Ca 0.23 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 3adr h LYS 221 Cb 0.08 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.27 3adr h LYS 221 CO -0.13 0.37 0.00 0.94 -0.57 0.00 0.00 179.45 180.06 3adr n GLN 222 N -4.80 0.00 0.00 3.15 7.27 -0.47 -1.30 117.38 121.22 3adr n GLN 222 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.09 3adr n GLN 222 Cb 0.04 -1.13 0.00 0.00 2.41 0.00 0.00 30.24 31.57 3adr n GLN 222 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 3adr n LEU 224 N 0.72 0.00 -4.64 1.69 4.77 -0.78 -4.91 117.00 113.84 3adr n LEU 224 Ca 0.00 0.00 -0.47 0.00 -0.03 0.00 0.00 56.01 55.51 3adr n LEU 224 Cb 0.00 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.05 3adr n LEU 224 CO 0.00 0.00 1.01 -0.24 -1.33 0.00 0.00 177.39 176.83 3adr n SER 225 N 0.00 2.45 0.04 -1.43 2.88 -0.42 -4.89 113.62 112.26 3adr n SER 225 Ca 0.00 1.12 -0.09 0.00 -1.33 0.00 0.00 58.87 58.57 3adr n SER 225 Cb 0.00 -1.35 -0.13 0.00 -0.75 0.00 0.00 64.21 61.98 3adr n SER 225 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 3adr h LYS 226 N 4.71 0.04 -6.43 -1.46 1.57 -1.91 -3.45 116.57 109.64 3adr h LYS 226 Ca -0.45 -0.06 -0.53 0.00 -1.87 0.00 0.00 60.65 57.73 3adr h LYS 226 Cb 1.29 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.59 3adr h LYS 226 CO 0.80 0.91 0.20 -1.21 -0.57 0.00 0.00 179.45 179.57 3adr s GLU 227 N -2.67 4.56 0.14 3.15 2.02 -1.26 -4.98 118.70 119.65 3adr s GLU 227 Ca -0.01 1.16 -0.35 0.00 0.02 0.00 0.00 54.97 55.79 3adr s GLU 227 Cb 0.09 -3.32 -0.16 0.00 0.10 0.00 0.00 34.13 30.84 3adr s GLU 227 CO 0.83 0.39 1.36 -1.91 0.02 0.00 0.00 175.26 175.94 3adr n GLU 228 N 2.32 1.45 -2.46 1.61 2.13 -1.26 -4.90 120.64 119.53 3adr n GLU 228 Ca -0.03 0.52 -0.41 0.00 0.66 0.00 0.00 57.16 57.90 3adr n GLU 228 Cb 0.49 -2.16 -0.04 0.00 0.27 0.00 0.00 31.44 30.01 3adr n GLU 228 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 3adr s ILE 229 N 0.37 3.82 -0.06 6.31 -1.09 -1.26 -5.05 121.20 124.24 3adr s ILE 229 Ca 0.79 1.51 0.05 0.00 -2.23 0.00 0.00 60.65 60.77 3adr s ILE 229 Cb -0.84 -3.97 -0.00 0.00 -1.58 0.00 0.00 42.46 36.07 3adr s ILE 229 CO 0.46 0.23 -0.21 -1.10 -1.23 0.00 0.00 174.94 173.10 3adr s GLN 230 N -0.12 2.27 -0.11 2.79 -0.21 -1.26 -5.10 119.66 117.92 3adr s GLN 230 Ca 0.52 -0.74 0.03 0.00 0.02 0.00 0.00 55.36 55.18 3adr s GLN 230 Cb -0.30 -1.89 0.01 0.00 1.00 0.00 0.00 33.01 31.83 3adr s GLN 230 CO 0.35 0.26 -0.20 0.42 -2.12 0.00 0.00 175.29 173.99 3adr s ILE 231 N 0.08 1.85 -0.17 1.08 -1.09 -1.26 -5.10 121.20 116.58 3adr s ILE 231 Ca -0.07 -0.87 -0.02 0.00 -2.23 0.00 0.00 60.65 57.46 3adr s ILE 231 Cb -0.14 -1.63 0.05 0.00 -1.58 0.00 0.00 42.46 39.16 3adr s ILE 231 CO 0.04 0.51 -0.00 0.20 -1.23 0.00 0.00 174.94 174.46 3adr s ASN 232 N 0.66 2.75 -0.07 3.58 -0.87 -1.26 -5.12 114.94 114.61 3adr s ASN 232 Ca -0.12 -0.69 0.00 0.00 -1.57 0.00 0.00 52.86 50.48 3adr s ASN 232 Cb -0.16 -0.70 -0.03 0.00 -0.02 0.00 0.00 41.25 40.33 3adr s ASN 232 CO 0.03 -0.25 -0.06 0.68 -2.57 0.00 0.00 177.10 174.93 3adr s VAL 233 N 1.78 3.81 -1.12 1.60 -7.23 -1.26 -5.01 120.40 112.97 3adr s VAL 233 Ca 0.00 -0.44 -0.18 0.00 -1.81 0.00 0.00 61.98 59.55 3adr s VAL 233 Cb -0.16 -2.57 0.11 0.00 0.56 0.00 0.00 36.38 34.32 3adr s VAL 233 CO -0.07 0.60 1.44 -0.62 -0.31 0.00 0.00 175.10 176.13 3adr s ASP 234 N -0.83 6.78 -0.09 4.85 2.15 -1.26 -4.91 116.67 123.35 3adr s ASP 234 Ca 0.13 -2.29 -0.10 0.00 0.43 0.00 0.00 52.55 50.72 3adr s ASP 234 Cb -0.11 -2.48 0.03 0.00 -0.30 0.00 0.00 42.92 40.05 3adr s ASP 234 CO 0.02 -1.09 0.27 -0.51 -0.17 0.00 0.00 175.17 173.68 3adr s ILE 235 N 3.24 0.01 0.03 4.11 1.10 -1.26 -5.03 121.20 123.40 3adr s ILE 235 Ca 0.44 -0.08 0.00 0.00 -0.51 0.00 0.00 60.65 60.50 3adr s ILE 235 Cb -0.01 -0.41 -0.00 0.00 0.15 0.00 0.00 42.46 42.19 3adr s ILE 235 CO -0.03 -0.04 0.00 0.61 -2.11 0.00 0.00 174.94 173.38 3adr n GLY 236 N 2.71 4.14 7.00 1.50 0.00 -1.26 -4.58 105.19 114.71 3adr n GLY 236 Ca -0.14 -2.15 0.00 0.00 0.00 0.00 0.00 46.02 43.73 3adr n GLY 236 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3adr n GLY 237 N 4.09 -1.13 0.32 -0.02 0.00 -1.26 -1.77 105.19 105.41 3adr n GLY 237 Ca -0.01 -1.10 0.02 0.00 0.00 0.00 0.00 46.02 44.93 3adr n GLY 237 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3adr h VAL 238 N 0.00 1.14 -0.31 1.61 3.04 -1.99 -2.14 116.25 117.61 3adr h VAL 238 Ca 0.00 -0.33 0.03 0.00 -1.01 0.00 0.00 66.70 65.39 3adr h VAL 238 Cb 0.00 0.44 -0.03 0.00 -2.01 0.00 0.00 31.29 29.69 3adr h VAL 238 CO 0.00 0.15 0.12 0.00 -1.01 0.00 0.00 177.57 176.84 3adr h ALA 239 N 1.64 0.36 -0.41 3.17 0.00 -1.66 0.06 119.26 122.42 3adr h ALA 239 Ca 0.18 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 3adr h ALA 239 Cb -0.02 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3adr h ALA 239 CO -0.03 -0.27 0.04 0.78 0.00 0.00 0.00 179.25 179.76 3adr h GLY 240 N 0.27 0.68 0.90 0.00 0.00 -0.74 -0.77 103.07 103.41 3adr h GLY 240 Ca 0.13 -0.40 -0.02 0.00 0.00 0.00 0.00 47.33 47.05 3adr h GLY 240 CO -0.12 0.38 0.10 -2.09 0.00 0.00 0.00 176.54 174.81 3adr h GLU 241 N 0.61 0.39 -0.50 4.80 4.81 -0.73 0.72 114.58 124.68 3adr h GLU 241 Ca 0.13 -0.07 -0.04 0.00 -0.13 0.00 0.00 59.36 59.25 3adr h GLU 241 Cb 0.33 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.62 3adr h GLU 241 CO 0.01 0.43 0.16 0.82 -0.73 0.00 0.00 179.01 179.69 3adr h ILE 242 N 0.26 1.23 -0.45 2.32 2.04 -0.69 -1.31 117.51 120.91 3adr h ILE 242 Ca 0.09 -0.76 -0.05 0.00 1.00 0.00 0.00 64.86 65.13 3adr h ILE 242 Cb 0.19 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 37.04 3adr h ILE 242 CO -0.01 0.28 0.09 0.25 0.00 0.00 0.00 178.15 178.76 3adr h LEU 243 N 0.67 0.71 -0.77 1.44 5.85 -1.01 -1.24 115.31 120.95 3adr h LEU 243 Ca 0.16 -0.25 0.02 0.00 0.84 0.00 0.00 57.88 58.65 3adr h LEU 243 Cb 0.27 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.07 3adr h LEU 243 CO -0.01 0.78 0.50 -0.09 -0.34 0.00 0.00 178.44 179.28 3adr h ARG 244 N 0.61 0.96 -0.47 1.25 2.43 -0.68 0.10 114.38 118.58 3adr h ARG 244 Ca 0.14 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.21 3adr h ARG 244 Cb 0.36 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.68 3adr h ARG 244 CO 0.01 0.63 0.14 0.87 -1.51 0.00 0.00 179.97 180.11 3adr h LYS 245 N 0.98 0.73 -0.62 0.20 1.57 -0.97 -1.32 116.57 117.15 3adr h LYS 245 Ca 0.30 -0.16 -0.07 0.00 -1.87 0.00 0.00 60.65 58.85 3adr h LYS 245 Cb -0.04 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.14 3adr h LYS 245 CO -0.09 0.70 0.12 0.37 -0.57 0.00 0.00 179.45 179.98 3adr h GLN 246 N 0.62 0.99 -0.70 3.15 5.75 -0.65 -2.33 115.11 121.94 3adr h GLN 246 Ca 0.15 -0.24 -0.04 0.00 -0.15 0.00 0.00 58.65 58.38 3adr h GLN 246 Cb 0.28 -0.13 -0.03 0.00 1.07 0.00 0.00 27.48 28.66 3adr h GLN 246 CO -0.00 0.90 0.30 0.82 -2.65 0.00 0.00 178.83 178.20 3adr h ILE 247 N 0.94 1.24 -0.71 2.39 2.04 -0.52 -1.38 117.51 121.51 3adr h ILE 247 Ca 0.20 -0.73 0.02 0.00 1.00 0.00 0.00 64.86 65.35 3adr h ILE 247 Cb 0.37 0.41 -0.04 0.00 -0.74 0.00 0.00 36.82 36.82 3adr h ILE 247 CO 0.01 0.30 0.45 -0.33 0.00 0.00 0.00 178.15 178.57 3adr h GLU 248 N 1.00 0.87 -0.62 2.37 5.08 -0.86 0.70 114.58 123.12 3adr h GLU 248 Ca 0.24 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.52 3adr h GLU 248 Cb 0.18 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 3adr h GLU 248 CO -0.02 0.58 0.31 0.28 -1.00 0.00 0.00 179.01 179.15 3adr h VAL 249 N 0.90 1.21 -0.38 3.13 2.07 -0.98 -1.29 116.25 120.92 3adr h VAL 249 Ca 0.28 -0.60 -0.12 0.00 0.82 0.00 0.00 66.70 67.08 3adr h VAL 249 Cb -0.02 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.19 3adr h VAL 249 CO -0.09 0.25 -0.25 0.78 0.02 0.00 0.00 177.57 178.27 3adr h ASN 250 N 0.86 0.79 0.70 0.57 4.21 -0.64 -1.81 115.58 120.26 3adr h ASN 250 Ca 0.22 -0.30 -0.07 0.00 1.21 0.00 0.00 56.30 57.36 3adr h ASN 250 Cb 0.11 -0.22 -0.01 0.00 -1.12 0.00 0.00 38.32 37.08 3adr h ASN 250 CO -0.03 1.01 -0.31 -0.07 -1.29 0.00 0.00 177.43 176.74 3adr h LEU 251 N 0.67 0.00 -0.15 1.61 3.38 -0.63 -1.43 115.31 118.75 3adr h LEU 251 Ca 0.09 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.92 3adr h LEU 251 Cb 0.77 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.52 3adr h LEU 251 CO 0.06 0.31 -0.44 -0.09 0.09 0.00 0.00 178.44 178.38 3adr h ARG 252 N 0.00 0.55 -0.56 1.13 2.43 -0.88 -1.25 114.38 115.80 3adr h ARG 252 Ca -0.00 -0.40 -0.04 0.00 -0.81 0.00 0.00 59.98 58.73 3adr h ARG 252 Cb 0.75 0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.34 3adr h ARG 252 CO 0.04 1.02 0.19 0.78 -1.51 0.00 0.00 179.97 180.49 3adr h GLY 253 N 0.19 0.88 0.55 2.80 0.00 -1.03 -1.60 103.07 104.87 3adr h GLY 253 Ca -0.01 -0.46 -0.02 0.00 0.00 0.00 0.00 47.33 46.84 3adr h GLY 253 CO 0.09 0.44 -0.15 -2.00 0.00 0.00 0.00 176.54 174.92 3adr h LEU 254 N 0.80 -0.36 -1.95 3.11 5.85 -1.12 -2.06 115.31 119.58 3adr h LEU 254 Ca 0.19 -0.18 0.15 0.00 0.84 0.00 0.00 57.88 58.88 3adr h LEU 254 Cb 0.21 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 3adr h LEU 254 CO -0.01 0.06 0.50 -0.09 -0.34 0.00 0.00 178.44 178.56 3adr h ARG 255 N -0.88 0.00 0.00 1.25 2.43 -1.12 0.17 114.38 116.22 3adr h ARG 255 Ca -0.04 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3adr h ARG 255 Cb 0.52 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 3adr h ARG 255 CO 0.07 0.00 -0.87 0.39 -1.51 0.00 0.00 179.97 178.05 3adr n GLU 256 N -3.84 0.32 0.00 0.20 1.02 -0.61 -5.09 120.64 112.64 3adr n GLU 256 Ca 0.10 0.04 0.09 0.00 -0.02 0.00 0.00 57.16 57.37 3adr n GLU 256 Cb 0.71 -1.65 0.54 0.00 -0.02 0.00 0.00 31.44 31.01 3adr n GLU 256 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18