#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a6y h ALA 9 N 0.00 0.71 -0.14 2.24 0.00 -2.03 -2.07 119.26 117.97 2a6y h ALA 9 Ca 0.00 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.82 2a6y h ALA 9 Cb 0.00 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2a6y h ALA 9 CO 0.00 0.27 0.13 0.66 0.00 0.00 0.00 179.25 180.32 2a6y h SER 10 N 0.74 0.00 0.72 0.00 4.64 -2.04 -1.08 113.55 116.54 2a6y h SER 10 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 2a6y h SER 10 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 2a6y h SER 10 CO -0.02 0.00 -0.88 0.29 -0.87 0.00 0.00 176.83 175.34 2a6y n LYS 11 N -4.03 0.37 -1.92 4.77 5.02 -0.87 -4.91 118.16 116.59 2a6y n LYS 11 Ca 0.00 0.06 -0.41 0.00 -2.02 0.00 0.00 58.31 55.94 2a6y n LYS 11 Cb 0.25 -1.68 -0.02 0.00 -0.02 0.00 0.00 35.03 33.56 2a6y n LYS 11 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2a6y s LEU 12 N -4.39 4.37 -0.37 -0.35 2.96 -0.41 -1.28 118.68 119.20 2a6y s LEU 12 Ca 0.03 2.83 -0.13 0.00 -0.22 0.00 0.00 54.13 56.64 2a6y s LEU 12 Cb 0.13 -3.64 0.01 0.00 0.50 0.00 0.00 46.19 43.19 2a6y s LEU 12 CO 0.77 -0.77 0.24 -0.55 -1.32 0.00 0.00 176.35 174.72 2a6y s SER 13 N 0.18 5.90 0.37 3.68 0.15 0.84 -4.89 113.70 119.93 2a6y s SER 13 Ca 0.58 -0.80 0.11 0.00 0.70 0.00 0.00 55.95 56.54 2a6y s SER 13 Cb -0.44 -2.09 0.70 0.00 -1.71 0.00 0.00 66.02 62.48 2a6y s SER 13 CO 0.50 -0.36 1.83 0.77 1.20 0.00 0.00 173.24 177.18 2a6y h SER 14 N 8.50 0.08 -0.11 5.45 4.64 -1.93 -2.51 113.55 127.67 2a6y h SER 14 Ca -0.28 -0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 60.99 2a6y h SER 14 Cb 1.12 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 63.18 2a6y h SER 14 CO 0.68 0.41 0.01 0.44 -0.87 0.00 0.00 176.83 177.50 2a6y h ASP 15 N 0.07 0.25 -0.22 4.97 3.32 -1.96 -2.92 116.42 119.92 2a6y h ASP 15 Ca 0.01 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.03 2a6y h ASP 15 Cb 0.62 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.11 2a6y h ASP 15 CO 0.05 0.29 0.00 -1.22 -1.72 0.00 0.00 179.24 176.63 2a6y n TYR 16 N -4.39 0.41 -3.86 4.55 4.01 -1.11 -4.96 117.16 111.82 2a6y n TYR 16 Ca -0.00 -0.61 -0.21 0.00 -0.16 0.00 0.00 57.90 56.92 2a6y n TYR 16 Cb 0.17 -0.10 -0.03 0.00 -0.31 0.00 0.00 39.34 39.07 2a6y n TYR 16 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 2a6y s SER 17 N -1.33 5.64 -0.32 7.72 0.01 -0.96 -4.44 113.70 120.01 2a6y s SER 17 Ca 0.22 -0.28 -0.01 0.00 1.31 0.00 0.00 55.95 57.19 2a6y s SER 17 Cb 0.15 -1.28 0.07 0.00 0.21 0.00 0.00 66.02 65.16 2a6y s SER 17 CO 0.10 -0.23 0.04 -0.22 0.41 0.00 0.00 173.24 173.34 2a6y s LEU 18 N -3.98 4.23 0.84 2.44 2.96 0.68 -4.99 118.68 120.87 2a6y s LEU 18 Ca 0.38 -1.51 -0.10 0.00 -0.22 0.00 0.00 54.13 52.68 2a6y s LEU 18 Cb -0.08 -1.72 0.10 0.00 0.50 0.00 0.00 46.19 44.99 2a6y s LEU 18 CO 0.27 -0.33 1.11 -2.16 -1.32 0.00 0.00 176.35 173.93 2a6y s PRO 19 N 1.19 1.64 0.18 0.98 0.04 -1.26 -1.76 135.00 136.01 2a6y s PRO 19 Ca -0.01 1.29 -0.32 0.00 0.04 0.00 0.00 61.00 62.00 2a6y s PRO 19 Cb -0.20 -1.82 -0.16 0.00 0.04 0.00 0.00 34.50 32.36 2a6y s PRO 19 CO -0.02 -2.12 0.98 -3.47 0.04 0.00 0.00 177.00 172.41 2a6y n ASP 20 N -3.86 0.59 -1.63 6.66 -0.08 -1.26 -4.75 116.55 112.22 2a6y n ASP 20 Ca 0.10 1.15 0.09 0.00 -1.51 0.00 0.00 54.79 54.62 2a6y n ASP 20 Cb 0.53 -1.13 0.37 0.00 2.34 0.00 0.00 41.12 43.22 2a6y n ASP 20 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 2a6y n LEU 21 N 1.81 4.94 -4.77 -2.67 4.77 -1.25 -4.94 117.00 114.88 2a6y n LEU 21 Ca 0.15 -2.56 -0.41 0.00 -0.03 0.00 0.00 56.01 53.17 2a6y n LEU 21 Cb 0.24 -0.60 -0.02 0.00 -2.33 0.00 0.00 43.42 40.72 2a6y n LEU 21 CO 0.60 0.78 1.03 -0.63 -1.33 0.00 0.00 177.39 177.83 2a6y s ILE 22 N -2.05 2.54 -1.35 -0.08 1.01 -1.26 -2.85 121.20 117.15 2a6y s ILE 22 Ca 0.52 0.53 -0.11 0.00 0.00 0.00 0.00 60.65 61.59 2a6y s ILE 22 Cb 0.35 -3.34 0.08 0.00 0.01 0.00 0.00 42.46 39.56 2a6y s ILE 22 CO 0.23 0.12 0.56 -3.20 0.00 0.00 0.00 174.94 172.65 2a6y n ASN 23 N 0.83 -3.78 -4.49 3.58 5.15 -1.26 -4.90 115.26 110.39 2a6y n ASN 23 Ca 0.01 -0.48 -0.34 0.00 -0.60 0.00 0.00 54.58 53.16 2a6y n ASN 23 Cb 0.41 -3.11 -0.12 0.00 -0.53 0.00 0.00 39.78 36.43 2a6y n ASN 23 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2a6y s THR 24 N -3.00 4.07 -1.25 -0.44 2.01 -1.15 -4.96 115.64 110.92 2a6y s THR 24 Ca 0.46 -0.28 0.20 0.00 0.31 0.00 0.00 61.69 62.38 2a6y s THR 24 Cb -0.24 -2.82 -0.15 0.00 0.01 0.00 0.00 72.50 69.29 2a6y s THR 24 CO 0.56 0.45 0.91 -1.14 -0.69 0.00 0.00 174.62 174.72 2a6y n ARG 25 N 3.93 0.64 -4.09 4.92 3.00 -1.26 -4.90 116.66 118.89 2a6y n ARG 25 Ca -0.17 -0.30 -0.09 0.00 -0.00 0.00 0.00 57.85 57.29 2a6y n ARG 25 Cb 0.52 -1.45 -0.10 0.00 0.00 0.00 0.00 32.46 31.43 2a6y n ARG 25 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.63 176.04 2a6y s LYS 26 N -2.74 0.62 0.15 -0.14 -2.85 -1.26 -5.10 119.74 108.43 2a6y s LYS 26 Ca 0.11 -1.13 -0.33 0.00 -1.00 0.00 0.00 55.97 53.61 2a6y s LYS 26 Cb 0.16 0.05 -0.13 0.00 -2.06 0.00 0.00 37.83 35.84 2a6y s LYS 26 CO 0.74 -0.06 1.63 0.28 0.10 0.00 0.00 175.35 178.04 2a6y n VAL 27 N 0.39 0.05 -1.60 1.79 0.31 -1.26 -4.87 118.33 113.13 2a6y n VAL 27 Ca -0.16 -0.01 -0.45 0.00 -0.01 0.00 0.00 64.34 63.71 2a6y n VAL 27 Cb 0.60 -1.66 -0.02 0.00 -0.91 0.00 0.00 33.84 31.84 2a6y n VAL 27 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 2a6y n PRO 28 N 3.79 1.38 0.05 5.55 -0.02 -1.26 -4.81 135.00 139.69 2a6y n PRO 28 Ca 0.17 0.49 0.09 0.00 -2.02 0.00 0.00 63.50 62.23 2a6y n PRO 28 Cb 0.30 -1.91 0.39 0.00 -0.02 0.00 0.00 33.50 32.26 2a6y n PRO 28 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 2a6y n ASN 29 N 1.44 0.28 -0.44 2.55 4.05 -1.26 -1.25 115.26 120.62 2a6y n ASN 29 Ca 0.11 0.57 0.14 0.00 0.45 0.00 0.00 54.58 55.84 2a6y n ASN 29 Cb 0.31 -0.63 0.54 0.00 1.23 0.00 0.00 39.78 41.23 2a6y n ASN 29 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 177.26 173.75 2a6y n ASN 30 N -1.81 1.37 -4.43 1.20 6.94 -1.26 -4.89 115.26 112.39 2a6y n ASN 30 Ca 0.03 -1.48 -0.21 0.00 -0.02 0.00 0.00 54.58 52.89 2a6y n ASN 30 Cb 0.20 -0.01 -0.10 0.00 -2.36 0.00 0.00 39.78 37.50 2a6y n ASN 30 CO 0.00 0.00 0.00 0.26 -1.03 0.00 0.00 177.26 176.49 2a6y s TRP 31 N -1.97 1.98 -0.08 -2.53 0.52 -0.38 -0.88 118.94 115.60 2a6y s TRP 31 Ca 0.38 -0.61 -0.08 0.00 0.02 0.00 0.00 56.10 55.81 2a6y s TRP 31 Cb 0.21 -1.06 0.02 0.00 -1.15 0.00 0.00 33.47 31.48 2a6y s TRP 31 CO 0.33 0.38 0.22 1.14 0.02 0.00 0.00 176.95 179.04 2a6y s GLN 32 N -3.67 0.29 0.43 4.98 -2.07 -0.38 -4.77 119.66 114.47 2a6y s GLN 32 Ca 0.28 0.25 -0.07 0.00 -1.82 0.00 0.00 55.36 54.00 2a6y s GLN 32 Cb 0.02 0.14 -0.05 0.00 -1.09 0.00 0.00 33.01 32.03 2a6y s GLN 32 CO 0.12 -0.04 0.75 0.95 -1.32 0.00 0.00 175.29 175.75 2a6y s THR 33 N -0.03 4.87 0.13 3.63 -4.23 -1.26 -1.61 115.64 117.14 2a6y s THR 33 Ca -0.01 0.34 0.01 0.00 -1.18 0.00 0.00 61.69 60.85 2a6y s THR 33 Cb -0.02 -3.80 -0.04 0.00 1.34 0.00 0.00 72.50 69.98 2a6y s THR 33 CO 0.01 -0.66 -0.00 -0.83 -0.54 0.00 0.00 174.62 172.59 2a6y s GLY 34 N -3.63 0.95 0.00 3.99 0.00 -0.04 -4.96 107.32 103.63 2a6y s GLY 34 Ca 0.48 -1.45 0.00 0.00 0.00 0.00 0.00 44.72 43.75 2a6y s GLY 34 CO 0.38 -1.43 0.00 1.18 0.00 0.00 0.00 173.10 173.22 2a6y n GLU 35 N -0.11 0.00 -0.27 2.90 4.71 -1.26 -1.82 120.64 124.79 2a6y n GLU 35 Ca -0.08 0.00 0.09 0.00 -0.01 0.00 0.00 57.16 57.15 2a6y n GLU 35 Cb 0.63 0.00 0.24 0.00 -1.01 0.00 0.00 31.44 31.29 2a6y n GLU 35 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 2a6y n GLN 36 N 14.00 2.25 -2.01 3.49 6.02 0.18 -4.93 117.38 136.38 2a6y n GLN 36 Ca 0.00 -1.94 -0.39 0.00 -0.01 0.00 0.00 57.00 54.65 2a6y n GLN 36 Cb 0.00 -1.42 0.00 0.00 1.02 0.00 0.00 30.24 29.84 2a6y n GLN 36 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2a6y s ALA 37 N -1.28 3.23 0.04 -1.58 0.00 -0.76 -4.77 121.76 116.65 2a6y s ALA 37 Ca 0.36 1.27 -0.09 0.00 0.00 0.00 0.00 51.96 53.50 2a6y s ALA 37 Cb 0.19 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.81 2a6y s ALA 37 CO 0.25 -0.90 0.18 -1.54 0.00 0.00 0.00 175.76 173.74 2a6y s SER 38 N -0.73 0.06 -0.16 0.00 1.04 -0.30 -4.69 113.70 108.93 2a6y s SER 38 Ca 0.58 -0.40 -0.28 0.00 0.48 0.00 0.00 55.95 56.34 2a6y s SER 38 Cb -0.39 0.28 -0.01 0.00 0.10 0.00 0.00 66.02 66.00 2a6y s SER 38 CO 0.50 -0.55 0.96 -0.22 0.98 0.00 0.00 173.24 174.91 2a6y s LEU 39 N -2.09 4.18 0.00 2.42 2.96 -1.26 -0.52 118.68 124.37 2a6y s LEU 39 Ca -0.05 1.38 0.00 0.00 -0.22 0.00 0.00 54.13 55.24 2a6y s LEU 39 Cb -0.01 -3.45 -0.00 0.00 0.50 0.00 0.00 46.19 43.23 2a6y s LEU 39 CO -0.04 -0.50 0.01 -0.62 -1.32 0.00 0.00 176.35 173.89 2a6y n GLU 40 N 5.45 0.96 -1.86 1.98 -0.58 0.03 -4.96 120.64 121.66 2a6y n GLU 40 Ca 0.08 -2.98 -0.42 0.00 -0.42 0.00 0.00 57.16 53.42 2a6y n GLU 40 Cb 0.48 0.89 -0.03 0.00 -0.57 0.00 0.00 31.44 32.21 2a6y n GLU 40 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 2a6y s GLU 41 N -3.46 4.17 0.00 3.49 2.56 -1.26 -2.15 118.70 122.04 2a6y s GLU 41 Ca 0.02 2.38 0.00 0.00 0.00 0.00 0.00 54.97 57.37 2a6y s GLU 41 Cb 0.00 -4.03 0.00 0.00 2.00 0.00 0.00 34.13 32.10 2a6y s GLU 41 CO 0.01 -0.88 0.00 0.41 -0.56 0.00 0.00 175.26 174.24 2a6y n GLY 42 N 4.29 1.16 3.49 -1.50 0.00 -1.13 -4.96 105.19 106.53 2a6y n GLY 42 Ca 0.18 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.06 2a6y n GLY 42 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2a6y s ARG 43 N -0.21 1.06 -0.17 1.61 3.03 -0.91 -4.36 118.95 119.00 2a6y s ARG 43 Ca 0.00 -0.09 -0.21 0.00 2.03 0.00 0.00 55.73 57.47 2a6y s ARG 43 Cb 0.00 0.49 -0.03 0.00 -1.03 0.00 0.00 34.95 34.38 2a6y s ARG 43 CO 0.00 -0.40 0.62 0.42 -1.13 0.00 0.00 175.30 174.81 2a6y s ILE 44 N -2.34 5.04 -0.41 4.99 1.01 0.00 -0.79 121.20 128.70 2a6y s ILE 44 Ca -0.04 1.20 -0.17 0.00 0.00 0.00 0.00 60.65 61.64 2a6y s ILE 44 Cb -0.01 -3.94 0.02 0.00 0.01 0.00 0.00 42.46 38.54 2a6y s ILE 44 CO -0.02 0.16 0.41 -0.69 0.00 0.00 0.00 174.94 174.80 2a6y s VAL 45 N 1.59 5.12 0.07 2.92 1.01 0.32 -0.41 120.40 131.02 2a6y s VAL 45 Ca 0.30 -0.33 -0.09 0.00 0.00 0.00 0.00 61.98 61.85 2a6y s VAL 45 Cb -0.16 -4.00 -0.28 0.00 0.00 0.00 0.00 36.38 31.94 2a6y s VAL 45 CO 0.11 -0.37 1.14 -0.07 0.00 0.00 0.00 175.10 175.91 2a6y h LEU 46 N 8.96 0.65 -8.21 3.92 3.38 -1.00 -0.78 115.31 122.23 2a6y h LEU 46 Ca -0.27 -0.63 -0.27 0.00 0.09 0.00 0.00 57.88 56.80 2a6y h LEU 46 Cb 1.12 -0.21 -0.20 0.00 0.09 0.00 0.00 40.66 41.46 2a6y h LEU 46 CO 0.77 1.47 -0.73 0.42 0.09 0.00 0.00 178.44 180.46 2a6y s THR 47 N -2.85 0.57 -0.27 0.22 -4.23 -1.23 -2.54 115.64 105.31 2a6y s THR 47 Ca -0.07 -1.21 -0.25 0.00 -1.18 0.00 0.00 61.69 58.98 2a6y s THR 47 Cb 0.06 -0.77 0.11 0.00 1.34 0.00 0.00 72.50 73.24 2a6y s THR 47 CO 0.91 -0.45 0.95 -0.94 -0.54 0.00 0.00 174.62 174.55 2a6y s SER 48 N -1.79 -0.52 0.81 3.99 1.04 -1.26 -3.87 113.70 112.10 2a6y s SER 48 Ca -0.07 0.97 0.00 0.00 0.48 0.00 0.00 55.95 57.33 2a6y s SER 48 Cb -0.08 0.97 0.00 0.00 0.10 0.00 0.00 66.02 67.01 2a6y s SER 48 CO -0.00 -0.20 0.00 0.59 0.98 0.00 0.00 173.24 174.61 2a6y n ASN 49 N 2.19 -5.98 -4.84 7.02 3.02 -1.26 -4.68 115.26 110.74 2a6y n ASN 49 Ca -0.13 0.26 -0.35 0.00 -0.03 0.00 0.00 54.58 54.33 2a6y n ASN 49 Cb 0.56 -0.73 -0.06 0.00 -0.61 0.00 0.00 39.78 38.94 2a6y n ASN 49 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2a6y s GLN 50 N -0.38 4.00 -1.25 3.52 -0.21 -1.26 -4.22 119.66 119.87 2a6y s GLN 50 Ca 0.00 0.52 -0.25 0.00 0.02 0.00 0.00 55.36 55.65 2a6y s GLN 50 Cb 0.00 -2.92 0.03 0.00 1.00 0.00 0.00 33.01 31.11 2a6y s GLN 50 CO 0.00 0.47 0.62 -1.71 -2.12 0.00 0.00 175.29 172.54 2a6y n ASN 51 N 0.78 -3.58 -4.90 5.90 4.05 -1.17 -4.96 115.26 111.37 2a6y n ASN 51 Ca -0.05 -1.21 -0.32 0.00 0.45 0.00 0.00 54.58 53.45 2a6y n ASN 51 Cb 0.52 -2.16 -0.05 0.00 1.23 0.00 0.00 39.78 39.32 2a6y n ASN 51 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 177.26 173.66 2a6y s SER 52 N -3.67 6.45 0.02 1.20 0.15 -1.26 -4.90 113.70 111.70 2a6y s SER 52 Ca 0.40 0.48 0.01 0.00 0.70 0.00 0.00 55.95 57.54 2a6y s SER 52 Cb -0.20 -2.05 -0.02 0.00 -1.71 0.00 0.00 66.02 62.04 2a6y s SER 52 CO 0.94 0.15 -0.05 -0.54 1.20 0.00 0.00 173.24 174.94 2a6y s LYS 53 N -2.35 0.37 0.09 5.44 1.02 -1.26 -1.93 119.74 121.11 2a6y s LYS 53 Ca 0.35 -0.55 -0.14 0.00 0.02 0.00 0.00 55.97 55.64 2a6y s LYS 53 Cb -0.13 -0.11 0.02 0.00 -0.52 0.00 0.00 37.83 37.10 2a6y s LYS 53 CO 0.23 0.01 0.34 0.20 -0.92 0.00 0.00 175.35 175.21 2a6y s GLY 54 N -1.20 -0.17 0.04 -3.33 0.00 -0.50 -0.65 107.32 101.52 2a6y s GLY 54 Ca -0.10 -0.09 -0.01 0.00 0.00 0.00 0.00 44.72 44.52 2a6y s GLY 54 CO -0.00 -0.33 -0.03 -1.35 0.00 0.00 0.00 173.10 171.39 2a6y s SER 55 N -2.52 0.41 -0.16 1.64 1.04 -0.83 -1.02 113.70 112.26 2a6y s SER 55 Ca 0.00 -0.82 -0.04 0.00 0.48 0.00 0.00 55.95 55.57 2a6y s SER 55 Cb 0.01 0.16 0.08 0.00 0.10 0.00 0.00 66.02 66.37 2a6y s SER 55 CO -0.08 -0.49 0.20 -0.22 0.98 0.00 0.00 173.24 173.63 2a6y s LEU 56 N -2.39 -0.10 0.06 2.42 2.96 0.15 -0.86 118.68 120.92 2a6y s LEU 56 Ca -0.01 0.02 0.06 0.00 -0.22 0.00 0.00 54.13 53.97 2a6y s LEU 56 Cb 0.01 0.37 -0.03 0.00 0.50 0.00 0.00 46.19 47.04 2a6y s LEU 56 CO -0.07 -0.29 -0.16 0.26 -1.32 0.00 0.00 176.35 174.77 2a6y s TRP 57 N 2.32 1.35 0.35 5.38 0.52 -0.63 -0.89 118.94 127.34 2a6y s TRP 57 Ca 0.05 -0.39 -0.28 0.00 0.02 0.00 0.00 56.10 55.49 2a6y s TRP 57 Cb -0.14 -0.78 -0.10 0.00 -1.15 0.00 0.00 33.47 31.29 2a6y s TRP 57 CO -0.10 0.07 1.35 -0.51 0.02 0.00 0.00 176.95 177.78 2a6y s LEU 58 N -1.41 4.39 0.30 2.99 1.43 -0.79 -1.25 118.68 124.34 2a6y s LEU 58 Ca 0.02 2.77 0.12 0.00 -1.03 0.00 0.00 54.13 56.01 2a6y s LEU 58 Cb -0.09 -3.67 0.45 0.00 0.03 0.00 0.00 46.19 42.91 2a6y s LEU 58 CO 0.02 -0.63 1.65 0.11 0.23 0.00 0.00 176.35 177.73 2a6y h LYS 59 N 3.24 0.00 -6.47 1.70 1.57 -1.33 -3.45 116.57 111.83 2a6y h LYS 59 Ca -0.49 0.00 -0.67 0.00 -1.87 0.00 0.00 60.65 57.62 2a6y h LYS 59 Cb 1.23 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 33.38 2a6y h LYS 59 CO 0.65 0.55 -0.73 -0.65 -0.57 0.00 0.00 179.45 178.71 2a6y s GLN 60 N -3.68 2.27 0.73 3.15 -1.52 -1.26 -4.85 119.66 114.50 2a6y s GLN 60 Ca -0.01 -0.93 -0.12 0.00 -1.95 0.00 0.00 55.36 52.35 2a6y s GLN 60 Cb 0.13 -2.37 0.04 0.00 -0.22 0.00 0.00 33.01 30.58 2a6y s GLN 60 CO 0.75 0.53 1.10 0.20 -0.25 0.00 0.00 175.29 177.62 2a6y s GLY 61 N -1.99 1.83 -0.23 3.09 0.00 -1.26 -4.87 107.32 103.89 2a6y s GLY 61 Ca 0.20 0.36 -0.07 0.00 0.00 0.00 0.00 44.72 45.21 2a6y s GLY 61 CO 0.12 0.70 0.07 -0.12 0.00 0.00 0.00 173.10 173.87 2a6y s PHE 62 N -2.72 3.12 -0.50 1.90 5.36 -0.07 -4.88 117.98 120.19 2a6y s PHE 62 Ca 0.63 -0.28 -0.26 0.00 -0.96 0.00 0.00 56.93 56.06 2a6y s PHE 62 Cb -0.18 -2.19 0.03 0.00 -0.34 0.00 0.00 43.02 40.33 2a6y s PHE 62 CO 0.51 -0.22 1.02 -0.51 -1.46 0.00 0.00 175.22 174.56 2a6y s ASP 63 N 1.28 6.50 -0.29 6.13 1.01 -1.26 0.11 116.67 130.15 2a6y s ASP 63 Ca 0.05 0.12 -0.29 0.00 0.71 0.00 0.00 52.55 53.14 2a6y s ASP 63 Cb -0.15 -2.49 0.01 0.00 1.01 0.00 0.00 42.92 41.31 2a6y s ASP 63 CO 0.04 -1.19 1.10 -0.22 0.21 0.00 0.00 175.17 175.11 2a6y s LEU 64 N 4.13 3.97 0.00 1.23 2.96 0.01 -4.75 118.68 126.23 2a6y s LEU 64 Ca 0.39 1.16 0.00 0.00 -0.22 0.00 0.00 54.13 55.47 2a6y s LEU 64 Cb -0.09 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.05 2a6y s LEU 64 CO 0.27 -0.85 0.00 2.29 -1.32 0.00 0.00 176.35 176.73 2a6y n LYS 65 N 6.80 0.00 -3.88 1.98 2.85 -1.26 -3.29 118.16 121.36 2a6y n LYS 65 Ca 0.12 0.00 -0.08 0.00 -1.05 0.00 0.00 58.31 57.30 2a6y n LYS 65 Cb 0.47 -0.08 -0.02 0.00 -0.65 0.00 0.00 35.03 34.75 2a6y n LYS 65 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2a6y s ASP 66 N 0.00 -0.11 0.72 -5.58 -0.00 -1.26 -5.12 116.67 105.32 2a6y s ASP 66 Ca 0.00 -0.84 -0.16 0.00 -0.00 0.00 0.00 52.55 51.56 2a6y s ASP 66 Cb 0.00 0.73 0.01 0.00 -0.00 0.00 0.00 42.92 43.66 2a6y s ASP 66 CO 0.00 -1.40 0.96 -1.20 -0.00 0.00 0.00 175.17 173.53 2a6y n SER 67 N -0.73 0.45 -3.98 0.27 7.64 -1.26 -4.85 113.62 111.17 2a6y n SER 67 Ca -0.04 0.66 -0.09 0.00 1.01 0.00 0.00 58.87 60.40 2a6y n SER 67 Cb 0.60 -1.40 -0.07 0.00 -1.01 0.00 0.00 64.21 62.32 2a6y n SER 67 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 2a6y s PHE 68 N -1.82 0.44 -0.01 1.43 -0.12 -0.81 -0.26 117.98 116.83 2a6y s PHE 68 Ca 0.73 -0.81 0.04 0.00 -0.05 0.00 0.00 56.93 56.83 2a6y s PHE 68 Cb -0.34 -0.11 -0.01 0.00 -0.63 0.00 0.00 43.02 41.93 2a6y s PHE 68 CO 0.50 -0.68 -0.12 0.99 -0.05 0.00 0.00 175.22 175.86 2a6y s THR 69 N -3.97 0.91 -0.04 -4.49 2.01 -0.59 -1.23 115.64 108.23 2a6y s THR 69 Ca 0.17 -0.52 0.01 0.00 0.31 0.00 0.00 61.69 61.67 2a6y s THR 69 Cb 0.04 -0.77 0.02 0.00 0.01 0.00 0.00 72.50 71.80 2a6y s THR 69 CO -0.00 0.24 -0.06 -0.32 -0.69 0.00 0.00 174.62 173.78 2a6y s MET 70 N -0.32 0.95 -0.19 4.92 0.00 0.63 -0.64 119.30 124.64 2a6y s MET 70 Ca 0.04 -0.18 0.01 0.00 0.00 0.00 0.00 55.69 55.57 2a6y s MET 70 Cb -0.05 -0.90 0.03 0.00 0.00 0.00 0.00 34.83 33.91 2a6y s MET 70 CO -0.00 -0.03 -0.16 -1.21 0.00 0.00 0.00 175.02 173.61 2a6y s GLU 71 N 0.73 2.62 -0.16 4.11 2.02 0.43 -0.37 118.70 128.07 2a6y s GLU 71 Ca -0.11 -0.88 -0.06 0.00 0.02 0.00 0.00 54.97 53.94 2a6y s GLU 71 Cb -0.14 -2.53 -0.04 0.00 0.10 0.00 0.00 34.13 31.53 2a6y s GLU 71 CO 0.01 -0.31 0.04 -1.58 0.02 0.00 0.00 175.26 173.44 2a6y s TRP 72 N 1.30 3.22 -0.22 1.61 0.52 0.52 -1.00 118.94 124.90 2a6y s TRP 72 Ca 0.02 0.05 -0.04 0.00 0.02 0.00 0.00 56.10 56.15 2a6y s TRP 72 Cb -0.15 -2.01 -0.01 0.00 -1.15 0.00 0.00 33.47 30.15 2a6y s TRP 72 CO -0.11 0.20 -0.04 0.99 0.02 0.00 0.00 176.95 178.01 2a6y s THR 73 N 0.12 3.41 0.17 2.01 2.01 -0.19 -0.23 115.64 122.94 2a6y s THR 73 Ca 0.04 -0.48 -0.04 0.00 0.31 0.00 0.00 61.69 61.52 2a6y s THR 73 Cb -0.12 -2.55 -0.03 0.00 0.01 0.00 0.00 72.50 69.81 2a6y s THR 73 CO 0.01 0.43 0.16 0.72 -0.69 0.00 0.00 174.62 175.25 2a6y s PHE 74 N 1.41 0.83 0.18 4.92 -0.12 -0.35 -0.72 117.98 124.13 2a6y s PHE 74 Ca 0.05 -1.15 -0.14 0.00 -0.05 0.00 0.00 56.93 55.63 2a6y s PHE 74 Cb -0.14 -0.37 0.01 0.00 -0.63 0.00 0.00 43.02 41.89 2a6y s PHE 74 CO -0.03 -0.64 0.43 -0.98 -0.05 0.00 0.00 175.22 173.96 2a6y s ARG 75 N -4.07 1.29 -0.08 1.99 1.70 -0.26 -0.26 118.95 119.25 2a6y s ARG 75 Ca 0.28 -0.97 0.04 0.00 -0.47 0.00 0.00 55.73 54.61 2a6y s ARG 75 Cb 0.06 0.47 -0.01 0.00 -0.57 0.00 0.00 34.95 34.90 2a6y s ARG 75 CO 0.06 -0.52 -0.22 0.45 -1.08 0.00 0.00 175.30 173.98 2a6y s SER 76 N -2.90 3.26 0.08 -2.89 0.15 -1.26 -0.73 113.70 109.41 2a6y s SER 76 Ca 0.12 -0.49 0.03 0.00 0.70 0.00 0.00 55.95 56.31 2a6y s SER 76 Cb 0.01 -1.18 -0.03 0.00 -1.71 0.00 0.00 66.02 63.11 2a6y s SER 76 CO -0.02 0.21 -0.09 0.68 1.20 0.00 0.00 173.24 175.21 2a6y s VAL 77 N 0.08 0.79 0.00 4.45 -7.23 -0.65 -1.88 120.40 115.95 2a6y s VAL 77 Ca -0.10 -1.49 0.00 0.00 -1.81 0.00 0.00 61.98 58.58 2a6y s VAL 77 Cb -0.16 -1.16 0.00 0.00 0.56 0.00 0.00 36.38 35.63 2a6y s VAL 77 CO 0.06 -0.53 0.00 0.61 -0.31 0.00 0.00 175.10 174.93 2a6y n GLY 78 N 0.80 0.31 3.48 2.32 0.00 -1.26 -0.75 105.19 110.09 2a6y n GLY 78 Ca -0.18 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.70 2a6y n GLY 78 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2a6y s TYR 79 N -2.03 -0.63 -0.09 1.61 5.04 -1.26 -4.61 117.35 115.38 2a6y s TYR 79 Ca 0.00 1.52 0.02 0.00 -2.44 0.00 0.00 57.07 56.16 2a6y s TYR 79 Cb 0.00 0.22 0.02 0.00 0.35 0.00 0.00 41.96 42.55 2a6y s TYR 79 CO 0.00 -0.32 -0.12 0.45 -1.34 0.00 0.00 175.55 174.21 2a6y s SER 80 N 0.21 2.05 0.00 4.32 0.15 -1.26 -3.78 113.70 115.39 2a6y s SER 80 Ca -0.01 -0.34 0.00 0.00 0.70 0.00 0.00 55.95 56.30 2a6y s SER 80 Cb -0.04 -0.91 0.00 0.00 -1.71 0.00 0.00 66.02 63.36 2a6y s SER 80 CO 0.01 0.00 0.00 0.61 1.20 0.00 0.00 173.24 175.07 2a6y n GLY 81 N 4.11 4.05 3.72 9.45 0.00 -1.26 -5.10 105.19 120.16 2a6y n GLY 81 Ca -0.20 -1.26 -0.42 0.00 0.00 0.00 0.00 46.02 44.15 2a6y n GLY 81 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2a6y s GLN 82 N -2.77 4.30 0.24 1.61 0.74 -1.26 -5.01 119.66 117.51 2a6y s GLN 82 Ca 0.00 2.14 -0.00 0.00 0.05 0.00 0.00 55.36 57.55 2a6y s GLN 82 Cb 0.00 -3.23 -0.03 0.00 1.10 0.00 0.00 33.01 30.85 2a6y s GLN 82 CO 0.00 -0.47 0.21 0.95 -0.55 0.00 0.00 175.29 175.43 2a6y s THR 83 N 1.10 0.00 -2.01 -0.34 -4.23 -1.26 -4.95 115.64 103.95 2a6y s THR 83 Ca 0.66 -1.93 0.09 0.00 -1.18 0.00 0.00 61.69 59.33 2a6y s THR 83 Cb -0.38 -2.48 0.26 0.00 1.34 0.00 0.00 72.50 71.23 2a6y s THR 83 CO 0.31 0.00 1.22 -0.90 -0.54 0.00 0.00 174.62 174.70 2a6y n ASP 84 N -0.62 1.51 -3.74 3.99 5.75 -1.26 -3.67 116.55 118.51 2a6y n ASP 84 Ca 0.03 -1.99 -0.28 0.00 -0.01 0.00 0.00 54.79 52.54 2a6y n ASP 84 Cb 0.65 -0.19 0.20 0.00 -1.03 0.00 0.00 41.12 40.75 2a6y n ASP 84 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2a6y n GLY 85 N 0.95 -1.72 0.00 6.12 0.00 -1.22 -4.57 105.19 104.76 2a6y n GLY 85 Ca 0.10 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.45 2a6y n GLY 85 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2a6y n GLY 86 N -3.40 1.35 3.13 -0.02 0.00 0.15 -4.56 105.19 101.84 2a6y n GLY 86 Ca 0.15 -0.88 -0.26 0.00 0.00 0.00 0.00 46.02 45.04 2a6y n GLY 86 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2a6y s ILE 87 N -2.00 1.43 -0.08 -0.61 2.07 -0.49 -1.42 121.20 120.10 2a6y s ILE 87 Ca 0.00 -0.71 0.04 0.00 -1.41 0.00 0.00 60.65 58.56 2a6y s ILE 87 Cb 0.00 -1.23 0.00 0.00 0.13 0.00 0.00 42.46 41.36 2a6y s ILE 87 CO 0.00 0.41 -0.19 -0.44 -1.91 0.00 0.00 174.94 172.81 2a6y s SER 88 N 0.05 2.56 -0.17 4.50 0.01 0.28 -0.54 113.70 120.40 2a6y s SER 88 Ca -0.04 -0.45 -0.06 0.00 1.31 0.00 0.00 55.95 56.71 2a6y s SER 88 Cb -0.12 -1.11 -0.04 0.00 0.21 0.00 0.00 66.02 64.97 2a6y s SER 88 CO 0.02 0.12 0.03 -0.36 0.41 0.00 0.00 173.24 173.46 2a6y s PHE 89 N 0.40 3.18 0.04 2.43 0.08 0.30 -0.95 117.98 123.46 2a6y s PHE 89 Ca -0.15 -0.03 0.09 0.00 0.12 0.00 0.00 56.93 56.95 2a6y s PHE 89 Cb -0.16 -2.03 -0.03 0.00 -0.57 0.00 0.00 43.02 40.23 2a6y s PHE 89 CO 0.06 0.11 -0.24 -1.58 -0.10 0.00 0.00 175.22 173.48 2a6y s TRP 90 N 0.30 2.40 -0.33 0.36 0.52 -0.23 -0.52 118.94 121.44 2a6y s TRP 90 Ca 0.01 -0.36 -0.02 0.00 0.02 0.00 0.00 56.10 55.75 2a6y s TRP 90 Cb -0.13 -1.41 0.12 0.00 -1.15 0.00 0.00 33.47 30.90 2a6y s TRP 90 CO 0.01 0.17 0.17 0.12 0.02 0.00 0.00 176.95 177.44 2a6y s PHE 91 N -0.85 0.60 0.01 -1.98 5.36 -0.63 -3.11 117.98 117.38 2a6y s PHE 91 Ca 0.13 -1.32 0.01 0.00 -0.96 0.00 0.00 56.93 54.79 2a6y s PHE 91 Cb -0.10 -0.95 -0.01 0.00 -0.34 0.00 0.00 43.02 41.62 2a6y s PHE 91 CO 0.03 -0.83 -0.04 0.14 -1.46 0.00 0.00 175.22 173.06 2a6y s VAL 92 N 1.51 0.32 -0.19 3.12 -7.23 -0.69 -1.09 120.40 116.16 2a6y s VAL 92 Ca 0.14 -0.38 -0.27 0.00 -1.81 0.00 0.00 61.98 59.66 2a6y s VAL 92 Cb -0.20 -0.31 -0.01 0.00 0.56 0.00 0.00 36.38 36.42 2a6y s VAL 92 CO -0.16 -0.04 0.92 -1.58 -0.31 0.00 0.00 175.10 173.93 2a6y s GLN 93 N -0.45 4.29 -0.04 4.82 0.74 0.10 0.69 119.66 129.82 2a6y s GLN 93 Ca -0.02 1.17 -0.29 0.00 0.05 0.00 0.00 55.36 56.27 2a6y s GLN 93 Cb -0.04 -3.60 0.10 0.00 1.10 0.00 0.00 33.01 30.58 2a6y s GLN 93 CO -0.00 -0.44 0.89 0.34 -0.55 0.00 0.00 175.29 175.53 2a6y s ASP 94 N 1.19 -0.39 0.15 6.67 -1.08 -0.90 -4.56 116.67 117.76 2a6y s ASP 94 Ca 0.41 0.13 0.25 0.00 -0.52 0.00 0.00 52.55 52.82 2a6y s ASP 94 Cb -0.16 0.38 0.51 0.00 -1.46 0.00 0.00 42.92 42.19 2a6y s ASP 94 CO 0.11 -0.57 1.48 -1.20 0.52 0.00 0.00 175.17 175.51 2a6y n SER 95 N 0.02 0.74 -3.39 -0.34 7.64 -1.26 -4.49 113.62 112.54 2a6y n SER 95 Ca -0.10 0.28 -0.15 0.00 1.01 0.00 0.00 58.87 59.91 2a6y n SER 95 Cb 0.61 -0.18 -0.05 0.00 -1.01 0.00 0.00 64.21 63.58 2a6y n SER 95 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2a6y s ASN 96 N -4.32 0.87 0.25 6.43 2.20 -1.26 -4.93 114.94 114.18 2a6y s ASN 96 Ca 0.08 -1.47 -0.30 0.00 -0.94 0.00 0.00 52.86 50.23 2a6y s ASN 96 Cb 0.13 0.62 -0.14 0.00 -2.00 0.00 0.00 41.25 39.87 2a6y s ASN 96 CO 0.68 -1.22 1.23 -0.38 -2.94 0.00 0.00 177.10 174.46 2a6y n ILE 97 N -0.54 1.38 -1.74 0.54 5.41 -1.26 -4.84 119.36 118.31 2a6y n ILE 97 Ca 0.02 -0.35 -0.42 0.00 1.00 0.00 0.00 62.75 63.00 2a6y n ILE 97 Cb 0.62 -1.22 -0.01 0.00 -0.71 0.00 0.00 39.64 38.32 2a6y n ILE 97 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 2a6y n PRO 98 N 1.39 2.55 0.09 0.38 -0.02 -1.26 -4.89 135.00 133.23 2a6y n PRO 98 Ca 0.11 0.90 -0.08 0.00 -2.02 0.00 0.00 63.50 62.41 2a6y n PRO 98 Cb 0.31 -2.62 -0.02 0.00 -0.02 0.00 0.00 33.50 31.15 2a6y n PRO 98 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2a6y h ARG 99 N 3.65 0.15 -6.66 -0.52 3.08 -2.00 -3.46 114.38 108.62 2a6y h ARG 99 Ca -0.48 -0.17 -0.50 0.00 0.07 0.00 0.00 59.98 58.89 2a6y h ARG 99 Cb 1.24 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 31.32 2a6y h ARG 99 CO 0.70 0.94 0.27 0.34 -1.07 0.00 0.00 179.97 181.15 2a6y s ASP 100 N -6.90 7.49 -0.10 7.04 2.15 -1.26 -4.96 116.67 120.13 2a6y s ASP 100 Ca -0.02 1.79 0.14 0.00 0.43 0.00 0.00 52.55 54.88 2a6y s ASP 100 Cb 0.10 -2.55 0.26 0.00 -0.30 0.00 0.00 42.92 40.43 2a6y s ASP 100 CO 0.82 0.16 1.13 0.29 -0.17 0.00 0.00 175.17 177.40 2a6y n LYS 101 N 1.41 0.92 0.09 4.34 5.02 -1.23 -1.98 118.16 126.73 2a6y n LYS 101 Ca -0.03 -2.31 0.13 0.00 -2.02 0.00 0.00 58.31 54.08 2a6y n LYS 101 Cb 0.48 -1.14 0.39 0.00 -0.02 0.00 0.00 35.03 34.74 2a6y n LYS 101 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2a6y n GLN 102 N -0.85 0.25 -4.00 1.97 6.02 -0.79 -3.42 117.38 116.55 2a6y n GLN 102 Ca 0.12 0.18 -0.31 0.00 -0.01 0.00 0.00 57.00 56.98 2a6y n GLN 102 Cb 0.72 -1.77 -0.15 0.00 1.02 0.00 0.00 30.24 30.06 2a6y n GLN 102 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 2a6y s LEU 103 N -4.37 4.62 -1.52 1.08 2.96 0.46 -4.65 118.68 117.25 2a6y s LEU 103 Ca 0.10 -2.19 -0.12 0.00 -0.22 0.00 0.00 54.13 51.70 2a6y s LEU 103 Cb 0.13 -1.59 0.08 0.00 0.50 0.00 0.00 46.19 45.30 2a6y s LEU 103 CO 0.61 -0.37 0.86 -1.22 -1.32 0.00 0.00 176.35 174.91 2a6y n TYR 104 N 4.20 -2.10 -1.99 5.38 4.01 -1.26 -0.39 117.16 125.01 2a6y n TYR 104 Ca 0.04 0.87 -0.19 0.00 -0.16 0.00 0.00 57.90 58.46 2a6y n TYR 104 Cb 0.41 -3.83 -0.04 0.00 -0.31 0.00 0.00 39.34 35.57 2a6y n TYR 104 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2a6y n ASN 105 N -2.85 -5.36 -2.86 7.72 5.15 -1.22 -3.54 115.26 112.31 2a6y n ASN 105 Ca -0.03 0.20 -0.16 0.00 -0.60 0.00 0.00 54.58 53.99 2a6y n ASN 105 Cb 0.55 -4.45 -0.05 0.00 -0.53 0.00 0.00 39.78 35.30 2a6y n ASN 105 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2a6y n GLY 106 N -0.86 3.37 3.69 8.20 0.00 0.48 -4.74 105.19 115.33 2a6y n GLY 106 Ca -0.21 -1.94 -0.42 0.00 0.00 0.00 0.00 46.02 43.45 2a6y n GLY 106 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2a6y s PRO 107 N -3.02 4.41 0.37 1.61 0.04 -0.84 -0.40 135.00 137.17 2a6y s PRO 107 Ca 0.21 1.50 0.25 0.00 0.04 0.00 0.00 61.00 63.01 2a6y s PRO 107 Cb 0.01 -3.53 0.65 0.00 0.04 0.00 0.00 34.50 31.67 2a6y s PRO 107 CO 0.15 -0.34 1.71 -0.24 0.04 0.00 0.00 177.00 178.33 2a6y h VAL 108 N 5.02 0.00 -0.69 -0.36 3.04 -1.87 -3.29 116.25 118.10 2a6y h VAL 108 Ca -0.33 -0.73 -0.44 0.00 -1.01 0.00 0.00 66.70 64.20 2a6y h VAL 108 Cb 1.16 1.71 -0.26 0.00 -2.01 0.00 0.00 31.29 31.89 2a6y h VAL 108 CO 0.85 0.00 0.06 -0.46 -1.01 0.00 0.00 177.57 177.02 2a6y n ASN 109 N -2.78 4.52 -4.79 3.17 6.94 -1.26 -1.32 115.26 119.74 2a6y n ASN 109 Ca 0.04 -3.76 -0.33 0.00 -0.02 0.00 0.00 54.58 50.51 2a6y n ASN 109 Cb 0.45 -0.67 0.04 0.00 -2.36 0.00 0.00 39.78 37.23 2a6y n ASN 109 CO 0.00 0.00 0.00 -0.72 -1.03 0.00 0.00 177.26 175.51 2a6y s TYR 110 N -3.49 2.80 -0.42 -2.53 -0.85 -1.24 -4.18 117.35 107.45 2a6y s TYR 110 Ca 0.53 1.52 -0.01 0.00 -0.52 0.00 0.00 57.07 58.60 2a6y s TYR 110 Cb 0.44 -3.07 0.11 0.00 0.38 0.00 0.00 41.96 39.83 2a6y s TYR 110 CO 0.02 -1.43 0.19 0.34 -1.52 0.00 0.00 175.55 173.14 2a6y s ASP 111 N -2.83 5.07 0.00 -0.18 2.15 -1.26 -1.08 116.67 118.54 2a6y s ASP 111 Ca 0.64 -2.20 0.00 0.00 0.43 0.00 0.00 52.55 51.42 2a6y s ASP 111 Cb -0.18 -1.77 0.00 0.00 -0.30 0.00 0.00 42.92 40.67 2a6y s ASP 111 CO 0.42 -0.47 0.00 0.61 -0.17 0.00 0.00 175.17 175.56 2a6y n GLY 112 N 4.31 0.21 3.25 2.66 0.00 0.29 0.02 105.19 115.94 2a6y n GLY 112 Ca 0.01 -0.91 -0.32 0.00 0.00 0.00 0.00 46.02 44.80 2a6y n GLY 112 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2a6y s LEU 113 N 0.00 2.15 -0.16 0.99 2.96 -0.25 -2.31 118.68 122.07 2a6y s LEU 113 Ca 0.00 -0.52 -0.01 0.00 -0.22 0.00 0.00 54.13 53.37 2a6y s LEU 113 Cb 0.00 -1.42 -0.01 0.00 0.50 0.00 0.00 46.19 45.26 2a6y s LEU 113 CO 0.00 0.19 -0.10 -1.58 -1.32 0.00 0.00 176.35 173.53 2a6y s GLN 114 N 0.19 3.38 -0.30 1.98 0.74 -0.35 -1.60 119.66 123.70 2a6y s GLN 114 Ca -0.14 -0.66 -0.08 0.00 0.05 0.00 0.00 55.36 54.53 2a6y s GLN 114 Cb -0.17 -2.76 0.00 0.00 1.10 0.00 0.00 33.01 31.19 2a6y s GLN 114 CO 0.07 0.06 0.11 -0.51 -0.55 0.00 0.00 175.29 174.47 2a6y s LEU 115 N 0.75 3.96 -0.21 3.68 1.43 0.32 -0.98 118.68 127.64 2a6y s LEU 115 Ca -0.04 -0.66 -0.06 0.00 -1.03 0.00 0.00 54.13 52.33 2a6y s LEU 115 Cb -0.15 -1.92 -0.03 0.00 0.03 0.00 0.00 46.19 44.11 2a6y s LEU 115 CO 0.01 -0.20 0.04 -0.22 0.23 0.00 0.00 176.35 176.21 2a6y s LEU 116 N 1.54 3.48 -0.27 1.79 2.96 -0.14 -0.54 118.68 127.50 2a6y s LEU 116 Ca 0.03 -0.12 -0.07 0.00 -0.22 0.00 0.00 54.13 53.76 2a6y s LEU 116 Cb -0.17 -1.89 -0.01 0.00 0.50 0.00 0.00 46.19 44.62 2a6y s LEU 116 CO 0.04 0.07 0.06 -0.69 -1.32 0.00 0.00 176.35 174.51 2a6y s VAL 117 N 0.97 4.00 0.28 1.68 1.01 0.30 -0.87 120.40 127.76 2a6y s VAL 117 Ca 0.03 -0.48 -0.20 0.00 0.00 0.00 0.00 61.98 61.33 2a6y s VAL 117 Cb -0.14 -2.96 0.06 0.00 0.00 0.00 0.00 36.38 33.34 2a6y s VAL 117 CO 0.02 0.22 0.90 1.51 0.00 0.00 0.00 175.10 177.75 2a6y s ASP 118 N 1.54 -0.04 -0.01 3.32 -4.77 -0.99 -1.39 116.67 114.32 2a6y s ASP 118 Ca 0.04 -0.84 0.02 0.00 -3.30 0.00 0.00 52.55 48.47 2a6y s ASP 118 Cb -0.16 0.67 0.03 0.00 -1.09 0.00 0.00 42.92 42.37 2a6y s ASP 118 CO 0.02 -1.31 0.82 -0.46 0.70 0.00 0.00 175.17 174.93 2a6y n ASN 119 N -1.16 0.40 -0.17 2.11 0.23 -1.26 -1.12 115.26 114.30 2a6y n ASN 119 Ca -0.06 -1.71 0.13 0.00 -0.53 0.00 0.00 54.58 52.42 2a6y n ASN 119 Cb 0.60 -0.13 0.48 0.00 -2.08 0.00 0.00 39.78 38.65 2a6y n ASN 119 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 2a6y n ASN 120 N -0.18 0.71 -4.84 0.53 4.05 -1.24 -4.47 115.26 109.83 2a6y n ASN 120 Ca 0.02 -0.67 -0.25 0.00 0.45 0.00 0.00 54.58 54.13 2a6y n ASN 120 Cb 0.58 0.03 0.08 0.00 1.23 0.00 0.00 39.78 41.69 2a6y n ASN 120 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 177.26 173.38 2a6y s GLY 121 N -2.53 1.73 0.59 8.20 0.00 -1.26 -4.97 107.32 109.07 2a6y s GLY 121 Ca 0.25 -1.13 0.36 0.00 0.00 0.00 0.00 44.72 44.20 2a6y s GLY 121 CO 0.51 -0.70 2.18 -2.55 0.00 0.00 0.00 173.10 172.54 2a6y h PRO 122 N -0.55 0.00 -0.00 2.90 0.11 -1.97 -2.15 132.00 130.34 2a6y h PRO 122 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 2a6y h PRO 122 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 2a6y h PRO 122 CO 0.54 0.04 -0.14 1.28 -0.21 0.00 0.00 178.00 179.51 2a6y n LEU 123 N -3.31 0.27 0.00 2.35 4.77 -1.26 -5.06 117.00 114.76 2a6y n LEU 123 Ca -0.02 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 2a6y n LEU 123 Cb 0.18 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 2a6y n LEU 123 CO 0.25 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 2a6y n GLY 124 N 1.40 -1.48 3.68 -0.72 0.00 -0.81 -4.89 105.19 102.38 2a6y n GLY 124 Ca 0.10 -1.44 -0.44 0.00 0.00 0.00 0.00 46.02 44.24 2a6y n GLY 124 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2a6y n PRO 125 N 0.00 2.57 -4.08 1.61 -0.02 -1.26 -4.53 135.00 129.30 2a6y n PRO 125 Ca 0.00 0.94 -0.07 0.00 -2.02 0.00 0.00 63.50 62.34 2a6y n PRO 125 Cb 0.00 -2.81 -0.10 0.00 -0.02 0.00 0.00 33.50 30.57 2a6y n PRO 125 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2a6y s THR 126 N 3.00 0.21 -0.28 3.45 -4.23 -0.27 -1.24 115.64 116.28 2a6y s THR 126 Ca 0.85 -1.77 -0.05 0.00 -1.18 0.00 0.00 61.69 59.54 2a6y s THR 126 Cb -0.55 -1.53 0.02 0.00 1.34 0.00 0.00 72.50 71.77 2a6y s THR 126 CO 0.41 -0.95 0.03 -0.22 -0.54 0.00 0.00 174.62 173.35 2a6y s LEU 127 N -2.92 3.60 -0.02 4.79 0.20 -0.29 -2.36 118.68 121.68 2a6y s LEU 127 Ca 0.08 -0.78 0.05 0.00 0.69 0.00 0.00 54.13 54.16 2a6y s LEU 127 Cb 0.08 -1.79 -0.03 0.00 -0.43 0.00 0.00 46.19 44.02 2a6y s LEU 127 CO -0.09 -0.17 -0.16 -0.13 -0.29 0.00 0.00 176.35 175.50 2a6y s ARG 128 N 1.43 2.35 -0.17 1.98 0.52 -0.05 -1.37 118.95 123.64 2a6y s ARG 128 Ca 0.01 -0.79 -0.15 0.00 -0.52 0.00 0.00 55.73 54.28 2a6y s ARG 128 Cb -0.17 -2.30 -0.04 0.00 0.52 0.00 0.00 34.95 32.96 2a6y s ARG 128 CO -0.00 0.60 0.35 0.20 0.02 0.00 0.00 175.30 176.46 2a6y s GLY 129 N -0.92 2.18 0.04 -3.53 0.00 0.05 -0.97 107.32 104.16 2a6y s GLY 129 Ca 0.12 -0.47 0.08 0.00 0.00 0.00 0.00 44.72 44.46 2a6y s GLY 129 CO 0.02 0.61 -0.24 1.20 0.00 0.00 0.00 173.10 174.69 2a6y s GLN 130 N 0.82 1.65 0.06 2.90 -1.52 -0.15 -0.48 119.66 122.94 2a6y s GLN 130 Ca 0.18 -1.01 0.07 0.00 -1.95 0.00 0.00 55.36 52.65 2a6y s GLN 130 Cb -0.14 -1.77 -0.03 0.00 -0.22 0.00 0.00 33.01 30.85 2a6y s GLN 130 CO 0.06 0.46 -0.19 -1.17 -0.25 0.00 0.00 175.29 174.20 2a6y s LEU 131 N -1.13 2.22 0.20 2.90 2.96 -1.26 -1.21 118.68 123.37 2a6y s LEU 131 Ca 0.10 -0.57 -0.12 0.00 -0.22 0.00 0.00 54.13 53.31 2a6y s LEU 131 Cb -0.09 -0.83 0.00 0.00 0.50 0.00 0.00 46.19 45.76 2a6y s LEU 131 CO 0.02 0.08 0.40 0.21 -1.32 0.00 0.00 176.35 175.74 2a6y s ASN 132 N -1.46 -0.07 -0.08 3.68 2.47 -0.98 -5.01 114.94 113.50 2a6y s ASN 132 Ca 0.05 -0.81 0.11 0.00 0.42 0.00 0.00 52.86 52.63 2a6y s ASN 132 Cb -0.09 0.52 0.17 0.00 -1.45 0.00 0.00 41.25 40.39 2a6y s ASN 132 CO 0.03 -1.01 1.07 -0.90 -3.72 0.00 0.00 177.10 172.57 2a6y n ASP 133 N -0.30 1.45 0.00 -4.21 5.68 -1.20 -0.55 116.55 117.42 2a6y n ASP 133 Ca -0.06 -2.61 0.00 0.00 -0.50 0.00 0.00 54.79 51.63 2a6y n ASP 133 Cb 0.63 -0.32 0.00 0.00 -1.14 0.00 0.00 41.12 40.29 2a6y n ASP 133 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2a6y n GLY 134 N -0.86 1.85 0.16 6.12 0.00 -0.24 -4.66 105.19 107.56 2a6y n GLY 134 Ca 0.09 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.02 2a6y n GLY 134 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2a6y h GLN 135 N 1.45 0.32 -5.07 1.61 4.20 -1.86 -3.45 115.11 112.32 2a6y h GLN 135 Ca 0.00 -0.29 -0.35 0.00 0.06 0.00 0.00 58.65 58.07 2a6y h GLN 135 Cb 0.00 0.07 -0.19 0.00 0.30 0.00 0.00 27.48 27.66 2a6y h GLN 135 CO 0.00 0.95 -0.75 0.15 -0.67 0.00 0.00 178.83 178.52 2a6y s LYS 136 N -3.47 0.83 0.53 1.46 1.02 -1.26 -5.14 119.74 113.70 2a6y s LYS 136 Ca -0.05 -1.07 -0.21 0.00 0.02 0.00 0.00 55.97 54.66 2a6y s LYS 136 Cb 0.10 -0.62 -0.05 0.00 -0.52 0.00 0.00 37.83 36.73 2a6y s LYS 136 CO 0.83 0.11 1.22 -1.25 -0.92 0.00 0.00 175.35 175.35 2a6y s PRO 137 N -2.38 3.33 0.58 -1.68 0.04 -1.26 -4.73 135.00 128.89 2a6y s PRO 137 Ca 0.02 1.90 -0.18 0.00 0.04 0.00 0.00 61.00 62.78 2a6y s PRO 137 Cb -0.06 -2.19 -0.04 0.00 0.04 0.00 0.00 34.50 32.25 2a6y s PRO 137 CO 0.01 -0.93 1.12 0.14 0.04 0.00 0.00 177.00 177.37 2a6y s VAL 138 N -1.51 3.25 -0.58 -0.36 -7.23 -0.44 -4.98 120.40 108.56 2a6y s VAL 138 Ca 0.71 0.71 -0.25 0.00 -1.81 0.00 0.00 61.98 61.33 2a6y s VAL 138 Cb -0.32 -3.25 0.04 0.00 0.56 0.00 0.00 36.38 33.41 2a6y s VAL 138 CO 0.37 -0.24 1.03 -0.62 -0.31 0.00 0.00 175.10 175.33 2a6y s ASP 139 N -2.07 6.35 0.54 4.85 -1.08 -1.26 -4.92 116.67 119.08 2a6y s ASP 139 Ca 0.70 -0.28 0.23 0.00 -0.52 0.00 0.00 52.55 52.68 2a6y s ASP 139 Cb -0.22 -2.47 1.42 0.00 -1.46 0.00 0.00 42.92 40.18 2a6y s ASP 139 CO 0.31 -1.34 2.07 0.11 0.52 0.00 0.00 175.17 176.84 2a6y h LYS 140 N 9.43 0.00 0.00 4.34 1.57 -1.98 -0.31 116.57 129.62 2a6y h LYS 140 Ca -0.26 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 2a6y h LYS 140 Cb 1.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.38 2a6y h LYS 140 CO 1.13 0.00 0.00 1.79 -0.57 0.00 0.00 179.45 181.80 2a6y h THR 141 N 0.00 0.00 -0.24 -0.16 1.35 -2.04 -2.78 112.91 109.04 2a6y h THR 141 Ca 0.13 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.79 2a6y h THR 141 Cb 0.54 0.95 0.00 0.00 -1.73 0.00 0.00 68.15 67.92 2a6y h THR 141 CO -0.00 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 175.56 2a6y n LYS 142 N -2.54 2.29 -0.22 4.72 5.02 -0.13 -4.71 118.16 122.59 2a6y n LYS 142 Ca 0.00 -1.78 -0.01 0.00 -2.02 0.00 0.00 58.31 54.51 2a6y n LYS 142 Cb 0.17 -1.23 0.11 0.00 -0.02 0.00 0.00 35.03 34.06 2a6y n LYS 142 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 2a6y h ILE 143 N 1.84 0.88 0.00 -0.18 2.04 -1.44 0.32 117.51 120.97 2a6y h ILE 143 Ca 0.00 -0.20 -0.09 0.00 1.00 0.00 0.00 64.86 65.57 2a6y h ILE 143 Cb 0.64 0.26 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 2a6y h ILE 143 CO 0.00 0.10 -0.43 1.88 0.00 0.00 0.00 178.15 179.70 2a6y h TYR 144 N 0.57 0.00 0.00 1.37 0.05 -1.84 -2.20 116.97 114.92 2a6y h TYR 144 Ca 0.31 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.09 2a6y h TYR 144 Cb 0.29 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.03 2a6y h TYR 144 CO -0.11 0.43 -0.20 -0.44 -1.05 0.00 0.00 178.16 176.79 2a6y h ASP 145 N 0.00 0.00 -0.02 3.88 3.32 -1.61 -3.33 116.42 118.66 2a6y h ASP 145 Ca -0.00 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.98 2a6y h ASP 145 Cb 1.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.58 2a6y h ASP 145 CO 0.06 0.03 -0.03 0.00 -1.72 0.00 0.00 179.24 177.58 2a6y n GLN 146 N -2.26 1.40 -1.65 3.56 6.02 -0.00 -4.98 117.38 119.46 2a6y n GLN 146 Ca 0.05 -1.45 -0.46 0.00 -0.01 0.00 0.00 57.00 55.12 2a6y n GLN 146 Cb 0.44 -1.32 -0.03 0.00 1.02 0.00 0.00 30.24 30.34 2a6y n GLN 146 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 2a6y n SER 147 N 0.86 2.47 0.13 1.08 7.64 -0.93 -4.80 113.62 120.06 2a6y n SER 147 Ca 0.10 1.13 0.13 0.00 1.01 0.00 0.00 58.87 61.23 2a6y n SER 147 Cb 0.42 -1.37 0.28 0.00 -1.01 0.00 0.00 64.21 62.53 2a6y n SER 147 CO 0.00 0.00 0.00 2.19 -3.01 0.00 0.00 175.04 174.22 2a6y h PHE 148 N 4.43 0.00 -2.19 1.43 -5.15 -1.16 -3.47 116.94 110.84 2a6y h PHE 148 Ca -0.45 0.00 0.09 0.00 -0.20 0.00 0.00 57.97 57.41 2a6y h PHE 148 Cb 1.29 0.00 -0.16 0.00 0.22 0.00 0.00 35.95 37.29 2a6y h PHE 148 CO 0.57 0.00 0.47 0.00 -2.00 0.00 0.00 178.31 177.36 2a6y s ALA 149 N -3.15 -1.83 0.10 12.09 0.00 -1.24 -5.02 121.76 122.70 2a6y s ALA 149 Ca 0.08 1.10 -0.26 0.00 0.00 0.00 0.00 51.96 52.88 2a6y s ALA 149 Cb 0.11 0.24 0.08 0.00 0.00 0.00 0.00 23.12 23.54 2a6y s ALA 149 CO 0.65 -0.61 0.86 -1.54 0.00 0.00 0.00 175.76 175.12 2a6y s SER 150 N -2.21 -0.32 0.06 0.00 1.04 -1.26 -0.77 113.70 110.24 2a6y s SER 150 Ca 0.03 -0.19 -0.01 0.00 0.48 0.00 0.00 55.95 56.26 2a6y s SER 150 Cb -0.01 0.48 -0.04 0.00 0.10 0.00 0.00 66.02 66.55 2a6y s SER 150 CO -0.07 -0.82 -0.04 0.00 0.98 0.00 0.00 173.24 173.30 2a6y s LEU 152 N -2.85 4.52 -0.25 0.00 1.43 -1.26 -1.13 118.68 119.12 2a6y s LEU 152 Ca 0.06 2.23 -0.02 0.00 -1.03 0.00 0.00 54.13 55.37 2a6y s LEU 152 Cb 0.07 -3.62 0.14 0.00 0.03 0.00 0.00 46.19 42.81 2a6y s LEU 152 CO -0.09 -0.21 0.42 -0.32 0.23 0.00 0.00 176.35 176.38 2a6y s MET 153 N -0.97 0.39 0.07 1.70 1.75 -0.37 -4.77 119.30 117.09 2a6y s MET 153 Ca 0.47 0.62 -0.30 0.00 -1.25 0.00 0.00 55.69 55.22 2a6y s MET 153 Cb -0.32 -0.30 -0.06 0.00 2.84 0.00 0.00 34.83 37.00 2a6y s MET 153 CO 0.39 -0.64 1.17 0.20 -0.65 0.00 0.00 175.02 175.49 2a6y s GLY 154 N 2.60 2.50 0.00 2.11 0.00 -1.26 -3.78 107.32 109.48 2a6y s GLY 154 Ca 0.14 0.82 0.00 0.00 0.00 0.00 0.00 44.72 45.68 2a6y s GLY 154 CO -0.17 1.97 0.00 1.58 0.00 0.00 0.00 173.10 176.49 2a6y n TYR 155 N 3.78 0.00 -2.51 1.90 0.18 -1.26 -5.09 117.16 114.16 2a6y n TYR 155 Ca 0.08 0.00 -0.33 0.00 1.88 0.00 0.00 57.90 59.53 2a6y n TYR 155 Cb 0.47 0.00 -0.04 0.00 -0.38 0.00 0.00 39.34 39.39 2a6y n TYR 155 CO 0.00 0.00 0.00 -0.65 -2.08 0.00 0.00 176.86 174.13 2a6y s GLN 156 N -0.35 3.89 -1.39 -3.48 -0.21 -1.26 -3.80 119.66 113.06 2a6y s GLN 156 Ca 0.00 1.16 -0.08 0.00 0.02 0.00 0.00 55.36 56.45 2a6y s GLN 156 Cb 0.00 -2.12 0.01 0.00 1.00 0.00 0.00 33.01 31.90 2a6y s GLN 156 CO 0.00 -0.33 1.10 -3.47 -2.12 0.00 0.00 175.29 170.47 2a6y n ASP 157 N -1.20 -6.36 -4.01 5.90 4.64 -1.12 -4.92 116.55 109.47 2a6y n ASP 157 Ca 0.08 -0.50 -0.31 0.00 -1.38 0.00 0.00 54.79 52.67 2a6y n ASP 157 Cb 0.53 -5.02 -0.15 0.00 -1.04 0.00 0.00 41.12 35.44 2a6y n ASP 157 CO 0.00 0.00 0.00 -0.55 -0.82 0.00 0.00 177.20 175.83 2a6y s SER 158 N -3.23 4.04 0.24 1.67 0.15 -0.79 -4.98 113.70 110.80 2a6y s SER 158 Ca 0.55 -1.22 -0.07 0.00 0.70 0.00 0.00 55.95 55.91 2a6y s SER 158 Cb -0.24 -1.37 0.24 0.00 -1.71 0.00 0.00 66.02 62.94 2a6y s SER 158 CO 0.68 -0.19 1.91 0.77 1.20 0.00 0.00 173.24 177.60 2a6y h SER 159 N 7.87 1.05 -3.29 5.45 4.64 -1.91 -3.41 113.55 123.95 2a6y h SER 159 Ca -0.21 -0.02 -0.55 0.00 -0.47 0.00 0.00 61.79 60.54 2a6y h SER 159 Cb 1.06 -0.26 -0.03 0.00 -0.31 0.00 0.00 62.40 62.86 2a6y h SER 159 CO 0.45 0.75 0.52 -0.69 -0.87 0.00 0.00 176.83 176.99 2a6y s VAL 160 N -6.12 4.79 0.71 0.95 1.01 -1.26 -5.00 120.40 115.48 2a6y s VAL 160 Ca -0.13 2.04 -0.16 0.00 0.00 0.00 0.00 61.98 63.73 2a6y s VAL 160 Cb 0.17 -4.31 0.03 0.00 0.00 0.00 0.00 36.38 32.27 2a6y s VAL 160 CO 0.81 0.05 1.21 -2.84 0.00 0.00 0.00 175.10 174.32 2a6y s PRO 161 N 1.75 2.28 0.07 2.72 0.02 -1.26 -4.94 135.00 135.63 2a6y s PRO 161 Ca 0.50 1.78 0.03 0.00 0.02 0.00 0.00 61.00 63.32 2a6y s PRO 161 Cb -0.19 -1.85 -0.04 0.00 0.02 0.00 0.00 34.50 32.44 2a6y s PRO 161 CO 0.21 -1.74 0.08 -1.12 -0.33 0.00 0.00 177.00 174.10 2a6y s SER 162 N -1.96 5.53 -0.17 2.53 0.01 0.64 -4.91 113.70 115.36 2a6y s SER 162 Ca 0.75 0.01 -0.00 0.00 1.31 0.00 0.00 55.95 58.02 2a6y s SER 162 Cb -0.30 -1.50 0.00 0.00 0.21 0.00 0.00 66.02 64.44 2a6y s SER 162 CO 0.44 0.19 -0.15 -0.89 0.41 0.00 0.00 173.24 173.23 2a6y s THR 163 N -1.36 2.61 -0.25 1.44 2.01 -1.26 -1.22 115.64 117.62 2a6y s THR 163 Ca 0.28 -0.78 -0.11 0.00 0.31 0.00 0.00 61.69 61.40 2a6y s THR 163 Cb -0.12 -2.11 -0.05 0.00 0.01 0.00 0.00 72.50 70.22 2a6y s THR 163 CO 0.21 0.51 0.18 -0.63 -0.69 0.00 0.00 174.62 174.20 2a6y s ILE 164 N 1.00 5.34 -0.20 1.82 1.01 0.68 -0.59 121.20 130.27 2a6y s ILE 164 Ca -0.02 0.21 -0.03 0.00 0.00 0.00 0.00 60.65 60.81 2a6y s ILE 164 Cb -0.15 -3.52 -0.01 0.00 0.01 0.00 0.00 42.46 38.79 2a6y s ILE 164 CO -0.03 0.31 -0.05 -0.60 0.00 0.00 0.00 174.94 174.57 2a6y s ARG 165 N 1.27 3.44 -0.21 2.79 3.52 -0.04 -0.35 118.95 129.36 2a6y s ARG 165 Ca 0.08 -0.61 -0.04 0.00 -0.13 0.00 0.00 55.73 55.03 2a6y s ARG 165 Cb -0.14 -2.95 -0.01 0.00 -1.56 0.00 0.00 34.95 30.28 2a6y s ARG 165 CO 0.06 -0.07 -0.04 0.08 -0.81 0.00 0.00 175.30 174.52 2a6y s VAL 166 N 1.14 3.44 -0.05 7.11 1.01 0.49 -0.70 120.40 132.85 2a6y s VAL 166 Ca 0.02 -0.48 0.06 0.00 0.00 0.00 0.00 61.98 61.58 2a6y s VAL 166 Cb -0.15 -2.55 -0.02 0.00 0.00 0.00 0.00 36.38 33.66 2a6y s VAL 166 CO -0.01 0.43 -0.22 0.42 0.00 0.00 0.00 175.10 175.73 2a6y s THR 167 N 1.30 2.36 -0.25 3.92 -4.23 0.09 -0.27 115.64 118.55 2a6y s THR 167 Ca 0.04 -0.97 0.02 0.00 -1.18 0.00 0.00 61.69 59.59 2a6y s THR 167 Cb -0.14 -1.87 0.06 0.00 1.34 0.00 0.00 72.50 71.89 2a6y s THR 167 CO -0.02 0.58 -0.09 -0.47 -0.54 0.00 0.00 174.62 174.08 2a6y s TYR 168 N -0.40 2.97 -0.40 3.99 5.04 -0.37 -0.87 117.35 127.31 2a6y s TYR 168 Ca 0.04 -2.14 -0.01 0.00 -2.44 0.00 0.00 57.07 52.52 2a6y s TYR 168 Cb -0.12 -1.83 0.11 0.00 0.35 0.00 0.00 41.96 40.47 2a6y s TYR 168 CO 0.02 -0.84 0.18 0.34 -1.34 0.00 0.00 175.55 173.90 2a6y s ASP 169 N 1.20 5.10 0.53 4.32 -1.08 0.16 -1.93 116.67 124.98 2a6y s ASP 169 Ca -0.07 -2.13 0.30 0.00 -0.52 0.00 0.00 52.55 50.12 2a6y s ASP 169 Cb -0.20 -1.77 1.49 0.00 -1.46 0.00 0.00 42.92 40.98 2a6y s ASP 169 CO -0.06 -0.48 2.07 -0.07 0.52 0.00 0.00 175.17 177.15 2a6y h LEU 170 N 7.84 0.00 -0.22 -1.34 3.38 -1.92 -2.07 115.31 120.98 2a6y h LEU 170 Ca -0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.87 2a6y h LEU 170 Cb 1.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.78 2a6y h LEU 170 CO 0.65 0.10 -0.15 -0.62 0.09 0.00 0.00 178.44 178.51 2a6y n GLU 171 N -3.47 0.58 -2.29 1.13 4.71 -1.26 -3.53 120.64 116.50 2a6y n GLU 171 Ca -0.01 -0.22 -0.31 0.00 -0.01 0.00 0.00 57.16 56.61 2a6y n GLU 171 Cb 0.25 -1.50 0.01 0.00 -1.01 0.00 0.00 31.44 29.20 2a6y n GLU 171 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 2a6y n ASP 172 N -1.02 5.57 -3.87 1.62 2.03 -0.93 -4.92 116.55 115.03 2a6y n ASP 172 Ca 0.13 -3.76 -0.27 0.00 0.52 0.00 0.00 54.79 51.41 2a6y n ASP 172 Cb 0.30 -0.64 -0.00 0.00 -0.72 0.00 0.00 41.12 40.06 2a6y n ASP 172 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2a6y n ASP 173 N -0.51 -1.54 -3.56 1.67 2.03 -1.23 -2.57 116.55 110.85 2a6y n ASP 173 Ca 0.44 -0.99 -0.23 0.00 0.52 0.00 0.00 54.79 54.53 2a6y n ASP 173 Cb 0.55 -3.21 0.08 0.00 -0.72 0.00 0.00 41.12 37.82 2a6y n ASP 173 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2a6y n ASN 174 N -2.91 -5.53 -4.67 1.67 3.02 -0.94 -4.78 115.26 101.12 2a6y n ASN 174 Ca -0.26 -0.55 -0.42 0.00 -0.03 0.00 0.00 54.58 53.31 2a6y n ASN 174 Cb 0.66 -5.04 -0.03 0.00 -0.61 0.00 0.00 39.78 34.76 2a6y n ASN 174 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2a6y s LEU 175 N -7.11 4.35 -0.32 3.41 2.96 -0.82 -4.42 118.68 116.73 2a6y s LEU 175 Ca 0.47 2.34 -0.11 0.00 -0.22 0.00 0.00 54.13 56.61 2a6y s LEU 175 Cb -0.21 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 42.92 2a6y s LEU 175 CO 0.73 -0.92 0.19 -0.22 -1.32 0.00 0.00 176.35 174.81 2a6y s LEU 176 N 3.64 4.24 -0.06 -0.68 2.96 0.62 -0.67 118.68 128.73 2a6y s LEU 176 Ca 0.75 -0.41 0.05 0.00 -0.22 0.00 0.00 54.13 54.29 2a6y s LEU 176 Cb -0.36 -2.07 -0.00 0.00 0.50 0.00 0.00 46.19 44.26 2a6y s LEU 176 CO 0.31 -0.19 -0.20 -0.75 -1.32 0.00 0.00 176.35 174.21 2a6y s LYS 177 N 1.67 2.19 -0.14 1.98 2.20 -0.05 -1.21 119.74 126.38 2a6y s LYS 177 Ca 0.06 -0.72 0.02 0.00 -0.36 0.00 0.00 55.97 54.97 2a6y s LYS 177 Cb -0.17 -1.83 0.01 0.00 -1.51 0.00 0.00 37.83 34.33 2a6y s LYS 177 CO 0.08 0.25 -0.21 0.08 -0.36 0.00 0.00 175.35 175.20 2a6y s VAL 178 N 0.08 2.00 0.12 4.02 1.01 -0.37 -0.73 120.40 126.53 2a6y s VAL 178 Ca -0.07 -0.94 0.10 0.00 0.00 0.00 0.00 61.98 61.08 2a6y s VAL 178 Cb -0.14 -1.78 -0.04 0.00 0.00 0.00 0.00 36.38 34.43 2a6y s VAL 178 CO 0.04 0.54 -0.26 -1.10 0.00 0.00 0.00 175.10 174.32 2a6y s GLN 179 N 0.92 1.38 -0.19 2.72 -0.21 0.12 -0.43 119.66 123.97 2a6y s GLN 179 Ca -0.05 -1.29 0.01 0.00 0.02 0.00 0.00 55.36 54.05 2a6y s GLN 179 Cb -0.15 -1.81 0.03 0.00 1.00 0.00 0.00 33.01 32.08 2a6y s GLN 179 CO -0.04 0.43 -0.17 0.08 -2.12 0.00 0.00 175.29 173.47 2a6y s VAL 180 N -1.05 1.98 -1.55 1.09 1.01 -0.12 -0.86 120.40 120.90 2a6y s VAL 180 Ca 0.12 -0.99 -0.06 0.00 0.00 0.00 0.00 61.98 61.05 2a6y s VAL 180 Cb -0.10 -1.85 0.05 0.00 0.00 0.00 0.00 36.38 34.48 2a6y s VAL 180 CO 0.05 0.43 0.41 0.47 0.00 0.00 0.00 175.10 176.47 2a6y n ASP 181 N 4.62 -0.81 0.00 3.32 8.00 0.24 -1.13 116.55 130.80 2a6y n ASP 181 Ca -0.19 -1.09 0.00 0.00 0.71 0.00 0.00 54.79 54.22 2a6y n ASP 181 Cb 0.49 -2.52 0.00 0.00 -0.02 0.00 0.00 41.12 39.07 2a6y n ASP 181 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2a6y n ASN 182 N -2.85 -3.61 -4.80 -2.24 3.02 -1.26 -5.00 115.26 98.52 2a6y n ASN 182 Ca -0.19 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.00 2a6y n ASN 182 Cb 0.63 -1.83 -0.07 0.00 -0.61 0.00 0.00 39.78 37.89 2a6y n ASN 182 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2a6y s LYS 183 N -0.89 3.63 0.12 3.52 1.02 -0.28 -5.05 119.74 121.81 2a6y s LYS 183 Ca 0.00 -0.20 -0.31 0.00 0.02 0.00 0.00 55.97 55.48 2a6y s LYS 183 Cb 0.00 -3.21 -0.09 0.00 -0.52 0.00 0.00 37.83 34.01 2a6y s LYS 183 CO 0.00 0.60 1.65 0.08 -0.92 0.00 0.00 175.35 176.76 2a6y s VAL 184 N -0.52 2.78 -0.13 3.17 1.01 -1.26 -0.94 120.40 124.51 2a6y s VAL 184 Ca 0.12 0.40 -0.10 0.00 0.00 0.00 0.00 61.98 62.40 2a6y s VAL 184 Cb -0.12 -3.26 -0.07 0.00 0.00 0.00 0.00 36.38 32.93 2a6y s VAL 184 CO 0.02 0.01 0.11 0.00 0.00 0.00 0.00 175.10 175.24 2a6y s PHE 186 N -1.94 -0.21 0.07 0.00 -0.12 -1.10 -4.44 117.98 110.23 2a6y s PHE 186 Ca -0.10 -0.13 -0.12 0.00 -0.05 0.00 0.00 56.93 56.52 2a6y s PHE 186 Cb 0.01 0.48 0.02 0.00 -0.63 0.00 0.00 43.02 42.89 2a6y s PHE 186 CO 0.24 -0.96 0.28 1.14 -0.05 0.00 0.00 175.22 175.86 2a6y s GLN 187 N -3.86 0.84 0.03 1.99 -2.07 -1.26 -1.23 119.66 114.10 2a6y s GLN 187 Ca 0.08 -0.66 -0.24 0.00 -1.82 0.00 0.00 55.36 52.72 2a6y s GLN 187 Cb -0.02 0.36 0.06 0.00 -1.09 0.00 0.00 33.01 32.32 2a6y s GLN 187 CO -0.03 -0.28 0.56 -0.08 -1.32 0.00 0.00 175.29 174.14 2a6y s THR 188 N -3.05 0.02 -0.43 3.63 -1.32 -0.35 -4.99 115.64 109.14 2a6y s THR 188 Ca -0.01 -0.17 0.11 0.00 -1.21 0.00 0.00 61.69 60.41 2a6y s THR 188 Cb 0.01 -0.96 0.31 0.00 -1.51 0.00 0.00 72.50 70.34 2a6y s THR 188 CO -0.07 -0.09 1.24 0.54 -2.21 0.00 0.00 174.62 174.03 2a6y n ARG 189 N 0.51 2.71 0.09 7.08 1.74 -1.26 -0.28 116.66 127.25 2a6y n ARG 189 Ca -0.19 -2.24 0.12 0.00 -0.77 0.00 0.00 57.85 54.78 2a6y n ARG 189 Cb 0.60 -1.41 0.20 0.00 -1.02 0.00 0.00 32.46 30.83 2a6y n ARG 189 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 2a6y h LYS 190 N 1.31 0.00 -5.49 5.56 1.57 -1.91 -3.46 116.57 114.15 2a6y h LYS 190 Ca 0.00 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.19 2a6y h LYS 190 Cb 0.92 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 33.13 2a6y h LYS 190 CO 0.06 0.00 -0.27 0.08 -0.57 0.00 0.00 179.45 178.75 2a6y s VAL 191 N -3.18 5.27 -0.29 0.50 1.01 -1.26 -0.62 120.40 121.83 2a6y s VAL 191 Ca 0.06 0.63 0.01 0.00 0.00 0.00 0.00 61.98 62.69 2a6y s VAL 191 Cb 0.12 -3.68 0.08 0.00 0.00 0.00 0.00 36.38 32.90 2a6y s VAL 191 CO 0.70 0.34 0.01 -0.13 0.00 0.00 0.00 175.10 176.02 2a6y s ARG 192 N 0.73 1.37 -0.12 2.72 1.81 -0.04 -4.89 118.95 120.52 2a6y s ARG 192 Ca 0.18 -1.30 -0.21 0.00 -1.72 0.00 0.00 55.73 52.68 2a6y s ARG 192 Cb -0.14 -2.64 -0.03 0.00 -0.45 0.00 0.00 34.95 31.69 2a6y s ARG 192 CO 0.06 -0.80 0.62 -0.06 -0.68 0.00 0.00 175.30 174.43 2a6y s PHE 193 N 1.29 3.50 0.65 -0.53 0.08 -1.26 -1.57 117.98 120.12 2a6y s PHE 193 Ca 0.03 1.05 -0.13 0.00 0.12 0.00 0.00 56.93 58.00 2a6y s PHE 193 Cb -0.19 -2.73 -0.01 0.00 -0.57 0.00 0.00 43.02 39.52 2a6y s PHE 193 CO -0.11 0.03 1.06 -1.25 -0.10 0.00 0.00 175.22 174.84 2a6y s PRO 194 N 1.10 3.10 0.43 0.24 0.04 -1.26 -4.97 135.00 133.67 2a6y s PRO 194 Ca 0.32 1.09 -0.26 0.00 0.04 0.00 0.00 61.00 62.19 2a6y s PRO 194 Cb -0.16 -2.01 -0.08 0.00 0.04 0.00 0.00 34.50 32.29 2a6y s PRO 194 CO 0.13 -0.98 1.35 -1.12 0.04 0.00 0.00 177.00 176.42 2a6y s SER 195 N -3.26 6.11 0.00 6.66 0.01 -1.26 -4.88 113.70 117.07 2a6y s SER 195 Ca 0.61 2.75 0.00 0.00 1.31 0.00 0.00 55.95 60.62 2a6y s SER 195 Cb -0.15 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.44 2a6y s SER 195 CO 0.46 -1.00 0.00 0.61 0.41 0.00 0.00 173.24 173.72 2a6y n GLY 196 N 0.63 -1.93 3.63 3.44 0.00 -1.21 -4.97 105.19 104.78 2a6y n GLY 196 Ca 0.04 -1.18 -0.36 0.00 0.00 0.00 0.00 46.02 44.52 2a6y n GLY 196 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2a6y s SER 197 N -1.83 5.95 0.09 1.61 0.15 -1.26 -0.81 113.70 117.61 2a6y s SER 197 Ca 0.00 0.07 0.08 0.00 0.70 0.00 0.00 55.95 56.80 2a6y s SER 197 Cb 0.00 -2.07 -0.04 0.00 -1.71 0.00 0.00 66.02 62.20 2a6y s SER 197 CO 0.00 0.07 -0.15 -0.31 1.20 0.00 0.00 173.24 174.04 2a6y s TYR 198 N 1.04 2.61 -0.14 3.44 1.51 0.12 -2.11 117.35 123.82 2a6y s TYR 198 Ca 0.07 -0.22 -0.07 0.00 -1.01 0.00 0.00 57.07 55.84 2a6y s TYR 198 Cb -0.14 -1.40 -0.04 0.00 -0.11 0.00 0.00 41.96 40.27 2a6y s TYR 198 CO 0.04 0.37 0.11 1.03 -1.11 0.00 0.00 175.55 176.00 2a6y s ARG 199 N -2.01 3.56 -0.10 -0.62 1.81 0.22 -0.90 118.95 120.92 2a6y s ARG 199 Ca 0.18 -0.21 0.02 0.00 -1.72 0.00 0.00 55.73 54.00 2a6y s ARG 199 Cb -0.11 -3.18 0.01 0.00 -0.45 0.00 0.00 34.95 31.23 2a6y s ARG 199 CO 0.10 0.63 -0.15 0.42 -0.68 0.00 0.00 175.30 175.63 2a6y s ILE 200 N -0.62 1.43 -0.00 1.52 1.01 -1.26 -1.70 121.20 121.58 2a6y s ILE 200 Ca 0.12 -0.61 -0.19 0.00 0.00 0.00 0.00 60.65 59.97 2a6y s ILE 200 Cb -0.12 -1.31 0.06 0.00 0.01 0.00 0.00 42.46 41.11 2a6y s ILE 200 CO 0.02 0.43 0.85 0.61 0.00 0.00 0.00 174.94 176.85 2a6y n GLY 201 N 4.10 0.39 2.95 6.18 0.00 -1.18 -1.88 105.19 115.75 2a6y n GLY 201 Ca -0.20 -0.99 -0.12 0.00 0.00 0.00 0.00 46.02 44.71 2a6y n GLY 201 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2a6y s VAL 202 N -2.07 -0.01 0.10 1.61 0.11 -0.07 -1.07 120.40 119.00 2a6y s VAL 202 Ca 0.20 0.02 0.04 0.00 -2.93 0.00 0.00 61.98 59.31 2a6y s VAL 202 Cb -0.01 -0.13 -0.04 0.00 -1.53 0.00 0.00 36.38 34.68 2a6y s VAL 202 CO -0.00 0.01 -0.11 0.42 -3.33 0.00 0.00 175.10 172.09 2a6y s THR 203 N 0.16 1.00 0.12 5.04 -4.23 -0.13 -0.67 115.64 116.93 2a6y s THR 203 Ca -0.01 -1.60 -0.14 0.00 -1.18 0.00 0.00 61.69 58.75 2a6y s THR 203 Cb -0.02 -1.33 0.03 0.00 1.34 0.00 0.00 72.50 72.52 2a6y s THR 203 CO -0.00 -0.50 0.36 0.00 -0.54 0.00 0.00 174.62 173.93 2a6y s ALA 204 N -2.26 -0.78 0.02 3.99 0.00 -0.19 -0.56 121.76 121.99 2a6y s ALA 204 Ca 0.05 -0.17 -0.03 0.00 0.00 0.00 0.00 51.96 51.81 2a6y s ALA 204 Cb -0.04 0.65 -0.01 0.00 0.00 0.00 0.00 23.12 23.72 2a6y s ALA 204 CO 0.01 -0.61 0.04 1.14 0.00 0.00 0.00 175.76 176.33 2a6y s GLN 205 N -3.82 0.41 0.00 0.00 -2.07 -0.51 -1.40 119.66 112.27 2a6y s GLN 205 Ca 0.03 -0.59 0.22 0.00 -1.82 0.00 0.00 55.36 53.21 2a6y s GLN 205 Cb 0.02 0.16 -0.02 0.00 -1.09 0.00 0.00 33.01 32.08 2a6y s GLN 205 CO -0.12 -0.08 1.07 0.27 -1.32 0.00 0.00 175.29 175.11 2a6y n ASN 206 N 1.40 1.78 -0.37 12.60 0.23 -0.81 -0.68 115.26 129.40 2a6y n ASN 206 Ca -0.23 -1.38 0.01 0.00 -0.53 0.00 0.00 54.58 52.46 2a6y n ASN 206 Cb 0.56 0.57 -0.00 0.00 -2.08 0.00 0.00 39.78 38.82 2a6y n ASN 206 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2a6y n GLY 207 N 1.44 -1.80 0.19 4.83 0.00 -1.26 -3.43 105.19 105.16 2a6y n GLY 207 Ca 0.08 -1.31 0.05 0.00 0.00 0.00 0.00 46.02 44.85 2a6y n GLY 207 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a6y n ALA 208 N -0.30 2.97 -1.98 4.61 0.00 -1.26 -3.06 120.51 121.50 2a6y n ALA 208 Ca 0.00 -0.41 -0.42 0.00 0.00 0.00 0.00 53.44 52.61 2a6y n ALA 208 Cb 0.05 -0.38 -0.03 0.00 0.00 0.00 0.00 19.45 19.09 2a6y n ALA 208 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2a6y s VAL 209 N -1.54 2.81 -1.80 0.00 1.01 -1.26 -1.53 120.40 118.09 2a6y s VAL 209 Ca 0.08 0.54 0.00 0.00 0.00 0.00 0.00 61.98 62.60 2a6y s VAL 209 Cb 0.08 -3.35 0.00 0.00 0.00 0.00 0.00 36.38 33.12 2a6y s VAL 209 CO 0.30 0.03 0.00 0.59 0.00 0.00 0.00 175.10 176.03 2a6y n ASN 210 N 4.23 -4.95 -4.18 3.32 3.02 -1.26 -1.74 115.26 113.69 2a6y n ASN 210 Ca 0.14 0.31 -0.36 0.00 -0.03 0.00 0.00 54.58 54.64 2a6y n ASN 210 Cb 0.39 -4.33 -0.03 0.00 -0.61 0.00 0.00 39.78 35.20 2a6y n ASN 210 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2a6y n ASN 211 N -1.37 -3.09 -4.72 6.41 3.02 -0.58 -4.89 115.26 110.03 2a6y n ASN 211 Ca -0.19 -0.97 -0.33 0.00 -0.03 0.00 0.00 54.58 53.06 2a6y n ASN 211 Cb 0.62 -2.55 0.11 0.00 -0.61 0.00 0.00 39.78 37.35 2a6y n ASN 211 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2a6y s ASN 212 N -3.20 3.96 -0.33 6.41 2.20 -0.71 -4.84 114.94 118.43 2a6y s ASN 212 Ca 0.73 2.19 0.08 0.00 -0.94 0.00 0.00 52.86 54.92 2a6y s ASN 212 Cb -0.40 -2.57 0.45 0.00 -2.00 0.00 0.00 41.25 36.73 2a6y s ASN 212 CO 0.89 -2.41 1.15 0.00 -2.94 0.00 0.00 177.10 173.80 2a6y n ALA 213 N -3.25 4.81 -1.74 3.54 0.00 -1.26 -4.20 120.51 118.41 2a6y n ALA 213 Ca 0.12 -3.85 -0.42 0.00 0.00 0.00 0.00 53.44 49.29 2a6y n ALA 213 Cb 0.51 -0.44 -0.01 0.00 0.00 0.00 0.00 19.45 19.51 2a6y n ALA 213 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2a6y n GLU 214 N -0.61 2.54 -4.01 0.00 2.13 -1.26 -4.26 120.64 115.17 2a6y n GLU 214 Ca 0.39 0.90 -0.34 0.00 0.66 0.00 0.00 57.16 58.77 2a6y n GLU 214 Cb 0.86 -2.63 -0.15 0.00 0.27 0.00 0.00 31.44 29.80 2a6y n GLU 214 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2a6y s SER 215 N 0.23 4.36 -0.11 4.31 0.15 0.07 -4.27 113.70 118.44 2a6y s SER 215 Ca 0.61 -1.13 -0.18 0.00 0.70 0.00 0.00 55.95 55.95 2a6y s SER 215 Cb -0.52 -1.61 -0.04 0.00 -1.71 0.00 0.00 66.02 62.13 2a6y s SER 215 CO 0.54 -0.17 0.48 -0.36 1.20 0.00 0.00 173.24 174.93 2a6y s PHE 216 N 1.22 3.53 -0.00 3.44 0.08 -1.25 -1.64 117.98 123.36 2a6y s PHE 216 Ca -0.04 0.91 0.06 0.00 0.12 0.00 0.00 56.93 57.98 2a6y s PHE 216 Cb -0.18 -2.54 -0.02 0.00 -0.57 0.00 0.00 43.02 39.71 2a6y s PHE 216 CO -0.05 0.20 -0.20 -1.21 -0.10 0.00 0.00 175.22 173.86 2a6y s GLU 217 N 0.51 1.55 -0.16 0.44 2.02 0.09 -0.38 118.70 122.77 2a6y s GLU 217 Ca 0.26 -0.77 -0.01 0.00 0.02 0.00 0.00 54.97 54.47 2a6y s GLU 217 Cb -0.15 -1.54 -0.01 0.00 0.10 0.00 0.00 34.13 32.52 2a6y s GLU 217 CO 0.11 0.42 -0.11 0.42 0.02 0.00 0.00 175.26 176.11 2a6y s ILE 218 N -0.55 3.07 -0.19 -1.63 -1.09 0.45 -1.11 121.20 120.15 2a6y s ILE 218 Ca 0.08 -0.63 0.17 0.00 -2.23 0.00 0.00 60.65 58.04 2a6y s ILE 218 Cb -0.08 -2.32 -0.24 0.00 -1.58 0.00 0.00 42.46 38.24 2a6y s ILE 218 CO -0.00 0.49 0.08 0.49 -1.23 0.00 0.00 174.94 174.77 2a6y n PHE 219 N 4.03 0.00 -3.59 3.97 3.72 0.10 -0.82 117.46 124.87 2a6y n PHE 219 Ca -0.18 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.14 2a6y n PHE 219 Cb 0.52 -0.93 -0.04 0.00 -0.94 0.00 0.00 39.48 38.08 2a6y n PHE 219 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 2a6y s LYS 220 N -2.49 0.43 -0.14 -1.08 2.20 -1.22 -3.93 119.74 113.51 2a6y s LYS 220 Ca -0.09 0.05 -0.06 0.00 -0.36 0.00 0.00 55.97 55.50 2a6y s LYS 220 Cb 0.06 0.20 0.06 0.00 -1.51 0.00 0.00 37.83 36.64 2a6y s LYS 220 CO 0.79 -0.15 0.31 1.41 -0.36 0.00 0.00 175.35 177.35 2a6y s MET 221 N -1.37 0.24 -0.12 4.03 1.75 -0.72 -1.02 119.30 122.09 2a6y s MET 221 Ca 0.03 0.73 0.01 0.00 -1.25 0.00 0.00 55.69 55.21 2a6y s MET 221 Cb -0.01 -0.00 -0.01 0.00 2.84 0.00 0.00 34.83 37.64 2a6y s MET 221 CO -0.02 -0.22 -0.14 -0.65 -0.65 0.00 0.00 175.02 173.34 2a6y s GLN 222 N 1.87 3.26 -0.11 4.11 -1.52 -0.17 -0.23 119.66 126.88 2a6y s GLN 222 Ca -0.05 -0.70 0.02 0.00 -1.95 0.00 0.00 55.36 52.68 2a6y s GLN 222 Cb -0.11 -2.58 -0.01 0.00 -0.22 0.00 0.00 33.01 30.09 2a6y s GLN 222 CO -0.10 0.26 -0.16 0.12 -0.25 0.00 0.00 175.29 175.15 2a6y s PHE 223 N 0.23 2.71 -0.04 0.91 5.36 -1.26 -0.43 117.98 125.46 2a6y s PHE 223 Ca -0.09 -0.67 0.06 0.00 -0.96 0.00 0.00 56.93 55.27 2a6y s PHE 223 Cb -0.15 -1.77 -0.01 0.00 -0.34 0.00 0.00 43.02 40.75 2a6y s PHE 223 CO 0.05 -0.20 -0.21 -0.06 -1.46 0.00 0.00 175.22 173.34 2a6y s PHE 224 N 0.16 1.98 -0.30 10.12 0.08 0.19 -0.11 117.98 130.09 2a6y s PHE 224 Ca -0.09 -0.50 -0.26 0.00 0.12 0.00 0.00 56.93 56.21 2a6y s PHE 224 Cb -0.15 -1.30 0.01 0.00 -0.57 0.00 0.00 43.02 41.00 2a6y s PHE 224 CO 0.06 -0.12 0.89 -0.80 -0.10 0.00 0.00 175.22 175.14 2a6y s ASN 225 N -0.23 6.78 0.00 1.36 0.01 -0.41 -1.54 114.94 120.91 2a6y s ASN 225 Ca 0.01 0.85 0.00 0.00 -0.71 0.00 0.00 52.86 53.01 2a6y s ASN 225 Cb -0.11 -2.46 0.00 0.00 0.41 0.00 0.00 41.25 39.10 2a6y s ASN 225 CO 0.01 -0.69 0.00 0.61 -1.51 0.00 0.00 177.10 175.52 2a6y n GLY 226 N 4.01 -3.13 3.73 0.66 0.00 0.64 -4.77 105.19 106.33 2a6y n GLY 226 Ca 0.07 -2.13 -0.35 0.00 0.00 0.00 0.00 46.02 43.61 2a6y n GLY 226 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2a6y s VAL 227 N -0.70 4.65 0.00 1.61 1.01 -1.26 -2.77 120.40 122.94 2a6y s VAL 227 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 61.98 61.86 2a6y s VAL 227 Cb 0.00 -2.98 0.00 0.00 0.00 0.00 0.00 36.38 33.40 2a6y s VAL 227 CO 0.00 0.61 0.00 2.30 0.00 0.00 0.00 175.10 178.01 2a6y n ILE 228 N 2.14 0.00 -1.22 2.22 -6.64 -1.26 -4.63 119.36 109.97 2a6y n ILE 228 Ca -0.19 0.00 -0.37 0.00 -1.77 0.00 0.00 62.75 60.42 2a6y n ILE 228 Cb 0.54 0.00 -0.03 0.00 -1.44 0.00 0.00 39.64 38.71 2a6y n ILE 228 CO 0.00 0.00 0.00 -1.84 -1.77 0.00 0.00 176.55 172.94 2a6y n GLU 229 N 0.00 2.36 0.00 6.28 0.00 -1.26 -3.09 120.64 124.93 2a6y n GLU 229 Ca 0.00 -1.99 0.00 0.00 0.00 0.00 0.00 57.16 55.17 2a6y n GLU 229 Cb 0.00 -2.87 0.00 0.00 0.00 0.00 0.00 31.44 28.57 2a6y n GLU 229 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 2a6y n ASP 230 N 5.64 1.27 -4.52 -1.84 9.92 -1.26 -5.26 116.55 120.49 2a6y n ASP 230 Ca 0.54 -1.63 -0.40 0.00 -0.53 0.00 0.00 54.79 52.77 2a6y n ASP 230 Cb 0.30 0.00 -0.07 0.00 -0.64 0.00 0.00 41.12 40.71 2a6y n ASP 230 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 2a6y n SER 231 N -0.32 1.74 -4.53 -2.24 7.64 -1.18 -5.08 113.62 109.65 2a6y n SER 231 Ca 0.00 -0.16 -0.49 0.00 1.01 0.00 0.00 58.87 59.23 2a6y n SER 231 Cb 0.34 -1.35 -0.04 0.00 -1.01 0.00 0.00 64.21 62.15 2a6y n SER 231 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2a6y n LYS 243 N 8.74 0.82 -3.76 1.43 5.02 -1.26 -5.13 118.16 124.02 2a6y n LYS 243 Ca 0.46 0.29 -0.35 0.00 -2.02 0.00 0.00 58.31 56.68 2a6y n LYS 243 Cb 0.35 -1.66 -0.05 0.00 -0.02 0.00 0.00 35.03 33.65 2a6y n LYS 243 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2a6y s LEU 244 N 1.04 4.39 0.13 -0.35 1.43 -1.26 -5.08 118.68 118.97 2a6y s LEU 244 Ca 0.71 0.58 0.02 0.00 -1.03 0.00 0.00 54.13 54.41 2a6y s LEU 244 Cb -0.89 -2.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.75 2a6y s LEU 244 CO 0.55 0.29 -0.05 0.27 0.23 0.00 0.00 176.35 177.64 2a6y s ILE 245 N -1.22 0.77 0.37 -0.59 -4.36 -1.26 -4.91 121.20 109.99 2a6y s ILE 245 Ca 0.25 -1.97 -0.28 0.00 -0.26 0.00 0.00 60.65 58.39 2a6y s ILE 245 Cb -0.13 -1.82 -0.12 0.00 1.25 0.00 0.00 42.46 41.64 2a6y s ILE 245 CO 0.13 -0.75 1.34 0.41 0.24 0.00 0.00 174.94 176.32 2a6y n THR 246 N -0.12 2.10 -4.27 8.37 -1.04 -1.26 -4.52 114.28 113.53 2a6y n THR 246 Ca -0.10 -0.50 -0.22 0.00 -2.04 0.00 0.00 64.05 61.18 2a6y n THR 246 Cb 0.61 -1.69 -0.12 0.00 -1.82 0.00 0.00 70.33 67.32 2a6y n THR 246 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 2a6y s LYS 247 N -2.00 1.10 -0.25 -2.82 1.02 -0.61 -4.65 119.74 111.52 2a6y s LYS 247 Ca 0.56 -1.17 0.03 0.00 0.02 0.00 0.00 55.97 55.40 2a6y s LYS 247 Cb -0.53 -1.27 0.06 0.00 -0.52 0.00 0.00 37.83 35.57 2a6y s LYS 247 CO 0.62 0.29 -0.11 -0.47 -0.92 0.00 0.00 175.35 174.76 2a6y s TYR 248 N -1.37 3.15 -2.69 3.18 5.04 -1.26 -0.86 117.35 122.54 2a6y s TYR 248 Ca 0.07 -2.24 0.22 0.00 -2.44 0.00 0.00 57.07 52.67 2a6y s TYR 248 Cb -0.09 -1.89 0.17 0.00 0.35 0.00 0.00 41.96 40.50 2a6y s TYR 248 CO 0.04 -0.86 1.18 -0.89 -1.34 0.00 0.00 175.55 173.68