#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c3t s LEU 3 N 0.00 4.36 0.03 0.99 2.96 -1.26 -4.38 118.68 121.38 2c3t s LEU 3 Ca 0.00 2.44 0.08 0.00 -0.22 0.00 0.00 54.13 56.43 2c3t s LEU 3 Cb 0.00 -3.57 -0.02 0.00 0.50 0.00 0.00 46.19 43.10 2c3t s LEU 3 CO 0.00 -0.86 -0.23 -1.61 -1.32 0.00 0.00 176.35 172.34 2c3t s GLU 4 N 2.48 1.59 -0.20 1.98 2.02 0.94 -1.24 118.70 126.27 2c3t s GLU 4 Ca 0.72 -0.95 -0.01 0.00 0.02 0.00 0.00 54.97 54.75 2c3t s GLU 4 Cb -0.39 -1.68 0.06 0.00 0.10 0.00 0.00 34.13 32.22 2c3t s GLU 4 CO 0.31 0.44 -0.01 -0.51 0.02 0.00 0.00 175.26 175.51 2c3t s LEU 5 N -1.05 1.71 -0.49 1.80 1.43 -0.79 -1.44 118.68 119.85 2c3t s LEU 5 Ca 0.09 -0.91 -0.24 0.00 -1.03 0.00 0.00 54.13 52.05 2c3t s LEU 5 Cb -0.09 -0.84 0.03 0.00 0.03 0.00 0.00 46.19 45.33 2c3t s LEU 5 CO 0.01 -0.26 0.85 -0.31 0.23 0.00 0.00 176.35 176.87 2c3t s TYR 6 N 1.67 2.91 0.19 0.29 1.51 0.64 -2.14 117.35 122.44 2c3t s TYR 6 Ca -0.02 0.08 0.02 0.00 -1.01 0.00 0.00 57.07 56.13 2c3t s TYR 6 Cb -0.17 -3.85 -0.05 0.00 -0.11 0.00 0.00 41.96 37.78 2c3t s TYR 6 CO -0.07 -1.14 0.03 -0.51 -1.11 0.00 0.00 175.55 172.75 2c3t s LEU 7 N 3.55 1.97 -0.23 -1.29 1.43 -0.88 -2.08 118.68 121.15 2c3t s LEU 7 Ca 0.30 -1.23 -0.03 0.00 -1.03 0.00 0.00 54.13 52.14 2c3t s LEU 7 Cb -0.12 -0.02 0.11 0.00 0.03 0.00 0.00 46.19 46.19 2c3t s LEU 7 CO 0.21 -0.62 0.29 -0.62 0.23 0.00 0.00 176.35 175.85 2c3t s ASP 8 N -3.21 0.94 0.18 2.29 -1.08 -1.26 -1.03 116.67 113.50 2c3t s ASP 8 Ca 0.28 -0.09 0.08 0.00 -0.52 0.00 0.00 52.55 52.29 2c3t s ASP 8 Cb 0.07 0.70 0.44 0.00 -1.46 0.00 0.00 42.92 42.66 2c3t s ASP 8 CO 0.07 -0.32 1.13 0.18 0.52 0.00 0.00 175.17 176.74 2c3t n LEU 9 N 5.34 0.21 -0.11 -1.34 4.77 -1.26 -1.00 117.00 123.59 2c3t n LEU 9 Ca -0.04 0.48 -0.12 0.00 -0.03 0.00 0.00 56.01 56.29 2c3t n LEU 9 Cb 0.49 -0.46 -0.03 0.00 -2.33 0.00 0.00 43.42 41.09 2c3t n LEU 9 CO 0.07 -0.55 0.64 0.25 -1.33 0.00 0.00 177.39 176.46 2c3t h LEU 10 N 0.00 0.78 -9.73 2.23 5.85 -1.93 -3.40 115.31 109.12 2c3t h LEU 10 Ca 0.00 -0.42 -0.50 0.00 0.84 0.00 0.00 57.88 57.80 2c3t h LEU 10 Cb 0.41 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 2c3t h LEU 10 CO 0.00 1.03 0.38 -0.94 -0.34 0.00 0.00 178.44 178.57 2c3t s SER 11 N -6.49 7.55 0.11 1.25 1.04 -0.17 -4.83 113.70 112.16 2c3t s SER 11 Ca -0.12 1.98 -0.25 0.00 0.48 0.00 0.00 55.95 58.04 2c3t s SER 11 Cb 0.10 -2.61 -0.07 0.00 0.10 0.00 0.00 66.02 63.53 2c3t s SER 11 CO 0.83 0.06 1.66 -0.61 0.98 0.00 0.00 173.24 176.16 2c3t h GLN 12 N 4.36 -0.34 -0.54 4.02 -0.00 -1.86 -2.78 115.11 117.98 2c3t h GLN 12 Ca -0.45 0.02 0.10 0.00 -0.00 0.00 0.00 58.65 58.32 2c3t h GLN 12 Cb 1.20 0.08 -0.03 0.00 0.00 0.00 0.00 27.48 28.73 2c3t h GLN 12 CO 0.69 -0.23 0.36 -1.00 0.00 0.00 0.00 178.83 178.65 2c3t h PRO 13 N -0.36 0.29 -0.21 -2.39 0.13 -1.92 -1.28 132.00 126.27 2c3t h PRO 13 Ca 0.04 -0.02 -0.10 0.00 -0.87 0.00 0.00 66.00 65.05 2c3t h PRO 13 Cb 0.40 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 31.46 2c3t h PRO 13 CO -0.15 0.19 -0.31 0.00 -0.23 0.00 0.00 178.00 177.51 2c3t h ARG 15 N 0.37 0.44 0.08 0.00 3.08 -1.04 0.04 114.38 117.35 2c3t h ARG 15 Ca 0.05 -0.19 -0.00 0.00 0.07 0.00 0.00 59.98 59.90 2c3t h ARG 15 Cb 0.73 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.77 2c3t h ARG 15 CO 0.06 0.73 -0.04 0.00 -1.07 0.00 0.00 179.97 179.64 2c3t h ALA 16 N 1.26 -0.11 -0.79 0.04 0.00 -1.21 -1.11 119.26 117.34 2c3t h ALA 16 Ca 0.04 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 2c3t h ALA 16 Cb 0.78 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 2c3t h ALA 16 CO 0.06 -0.44 0.31 0.28 0.00 0.00 0.00 179.25 179.46 2c3t h VAL 17 N -0.35 1.26 0.14 0.00 2.07 -1.39 -1.51 116.25 116.48 2c3t h VAL 17 Ca -0.01 -0.83 -0.01 0.00 0.82 0.00 0.00 66.70 66.67 2c3t h VAL 17 Cb 0.30 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 30.39 2c3t h VAL 17 CO 0.02 0.34 -0.07 0.22 0.02 0.00 0.00 177.57 178.10 2c3t h TYR 18 N 1.15 -0.18 -0.50 1.57 3.20 -0.92 -1.63 116.97 119.67 2c3t h TYR 18 Ca 0.26 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.09 2c3t h TYR 18 Cb 0.22 0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.53 2c3t h TYR 18 CO 0.02 0.06 0.16 0.82 -1.64 0.00 0.00 178.16 177.58 2c3t h ILE 19 N -0.40 1.23 -0.56 1.81 2.04 -1.15 -1.83 117.51 118.64 2c3t h ILE 19 Ca -0.02 -0.75 0.01 0.00 1.00 0.00 0.00 64.86 65.09 2c3t h ILE 19 Cb 0.32 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 37.14 2c3t h ILE 19 CO 0.03 0.28 0.37 0.15 0.00 0.00 0.00 178.15 178.98 2c3t h PHE 20 N 0.68 0.70 -0.47 1.37 3.57 -1.23 -0.35 116.94 121.22 2c3t h PHE 20 Ca 0.16 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.54 2c3t h PHE 20 Cb 0.26 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 38.75 2c3t h PHE 20 CO 0.01 0.45 -0.25 0.00 -2.23 0.00 0.00 178.31 176.29 2c3t h ALA 21 N 1.20 0.66 0.04 2.41 0.00 -1.21 -2.55 119.26 119.81 2c3t h ALA 21 Ca 0.20 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 2c3t h ALA 21 Cb -0.09 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.55 2c3t h ALA 21 CO -0.04 0.68 -0.02 0.87 0.00 0.00 0.00 179.25 180.73 2c3t h LYS 22 N 0.84 -0.06 -0.65 0.00 1.79 -1.19 -1.75 116.57 115.56 2c3t h LYS 22 Ca 0.10 0.00 0.11 0.00 -2.18 0.00 0.00 60.65 58.68 2c3t h LYS 22 Cb 0.84 0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 31.46 2c3t h LYS 22 CO 0.07 0.37 0.43 -0.22 -1.08 0.00 0.00 179.45 179.03 2c3t h LYS 23 N -0.50 0.43 -0.35 3.15 1.63 -1.12 -2.19 116.57 117.63 2c3t h LYS 23 Ca -0.01 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.77 2c3t h LYS 23 Cb 0.45 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 31.99 2c3t h LYS 23 CO 0.01 0.28 0.00 0.09 -3.45 0.00 0.00 179.45 176.38 2c3t n ASN 24 N -4.47 2.73 -3.76 4.20 3.02 -0.96 -4.96 115.26 111.05 2c3t n ASN 24 Ca 0.11 -1.90 -0.26 0.00 -0.03 0.00 0.00 54.58 52.49 2c3t n ASN 24 Cb 0.39 -0.23 0.05 0.00 -0.61 0.00 0.00 39.78 39.39 2c3t n ASN 24 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2c3t n ASP 25 N 1.01 -4.66 -4.70 6.41 8.00 -0.82 -4.96 116.55 116.82 2c3t n ASP 25 Ca 0.18 -0.70 -0.40 0.00 0.71 0.00 0.00 54.79 54.58 2c3t n ASP 25 Cb 0.48 -4.36 -0.04 0.00 -0.02 0.00 0.00 41.12 37.18 2c3t n ASP 25 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2c3t s ILE 26 N -3.36 4.99 -0.08 0.53 1.01 -0.68 -5.02 121.20 118.59 2c3t s ILE 26 Ca 0.51 1.55 -0.30 0.00 0.00 0.00 0.00 60.65 62.41 2c3t s ILE 26 Cb -0.24 -4.09 -0.03 0.00 0.01 0.00 0.00 42.46 38.11 2c3t s ILE 26 CO 0.79 0.19 1.24 -2.84 0.00 0.00 0.00 174.94 174.32 2c3t s PRO 27 N 1.12 4.31 0.05 2.79 0.02 -1.26 -4.80 135.00 137.22 2c3t s PRO 27 Ca 0.39 1.69 -0.22 0.00 0.02 0.00 0.00 61.00 62.89 2c3t s PRO 27 Cb -0.18 -3.62 0.05 0.00 0.02 0.00 0.00 34.50 30.77 2c3t s PRO 27 CO 0.18 -0.53 0.51 -0.59 -0.33 0.00 0.00 177.00 176.24 2c3t s PHE 28 N 2.61 -0.41 -0.18 6.54 -0.12 -1.26 -4.62 117.98 120.53 2c3t s PHE 28 Ca 0.56 0.44 -0.10 0.00 -0.05 0.00 0.00 56.93 57.79 2c3t s PHE 28 Cb -0.24 0.33 -0.05 0.00 -0.63 0.00 0.00 43.02 42.43 2c3t s PHE 28 CO 0.20 -0.64 0.15 -1.21 -0.05 0.00 0.00 175.22 173.67 2c3t s GLU 29 N -2.49 4.03 -0.20 1.99 2.02 -0.37 -4.98 118.70 118.70 2c3t s GLU 29 Ca -0.05 -0.17 -0.18 0.00 0.02 0.00 0.00 54.97 54.59 2c3t s GLU 29 Cb -0.01 -3.37 -0.03 0.00 0.10 0.00 0.00 34.13 30.82 2c3t s GLU 29 CO -0.02 0.41 0.51 -1.17 0.02 0.00 0.00 175.26 175.00 2c3t s LEU 30 N 0.05 4.15 -0.38 1.80 2.96 -1.26 -1.89 118.68 124.11 2c3t s LEU 30 Ca 0.10 0.67 -0.01 0.00 -0.22 0.00 0.00 54.13 54.67 2c3t s LEU 30 Cb -0.11 -2.69 0.10 0.00 0.50 0.00 0.00 46.19 43.98 2c3t s LEU 30 CO -0.00 -0.16 0.14 -0.13 -1.32 0.00 0.00 176.35 174.88 2c3t s ARG 31 N 1.55 1.93 -0.14 1.98 3.00 -0.91 -4.98 118.95 121.39 2c3t s ARG 31 Ca 0.24 -1.76 -0.29 0.00 0.00 0.00 0.00 55.73 53.91 2c3t s ARG 31 Cb -0.15 -3.45 -0.02 0.00 0.00 0.00 0.00 34.95 31.34 2c3t s ARG 31 CO 0.10 -0.98 1.21 0.42 0.00 0.00 0.00 175.30 176.04 2c3t s ILE 32 N 1.10 4.34 -0.25 1.52 1.09 -1.26 -2.08 121.20 125.66 2c3t s ILE 32 Ca 0.07 1.64 -0.09 0.00 -1.10 0.00 0.00 60.65 61.17 2c3t s ILE 32 Cb -0.22 -4.06 -0.04 0.00 -1.06 0.00 0.00 42.46 37.09 2c3t s ILE 32 CO -0.05 -0.10 0.11 -0.69 -0.10 0.00 0.00 174.94 174.11 2c3t s VAL 33 N 3.06 4.74 -0.51 2.92 1.01 -0.20 -4.94 120.40 126.48 2c3t s VAL 33 Ca 0.53 -0.03 -0.19 0.00 0.00 0.00 0.00 61.98 62.30 2c3t s VAL 33 Cb -0.21 -3.22 0.06 0.00 0.00 0.00 0.00 36.38 33.01 2c3t s VAL 33 CO 0.16 0.33 0.60 -0.62 0.00 0.00 0.00 175.10 175.56 2c3t s ASP 34 N 1.49 6.21 0.17 3.32 3.68 -1.26 -4.29 116.67 125.99 2c3t s ASP 34 Ca 0.06 -0.97 -0.10 0.00 2.13 0.00 0.00 52.55 53.67 2c3t s ASP 34 Cb -0.15 -2.28 0.04 0.00 -1.45 0.00 0.00 42.92 39.08 2c3t s ASP 34 CO 0.06 -0.87 1.60 -0.07 0.13 0.00 0.00 175.17 176.01 2c3t h LEU 35 N 9.61 1.03 -1.43 -1.34 3.38 -1.96 0.07 115.31 124.67 2c3t h LEU 35 Ca -0.28 -0.35 0.14 0.00 0.09 0.00 0.00 57.88 57.48 2c3t h LEU 35 Cb 1.10 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 41.51 2c3t h LEU 35 CO 0.96 1.14 0.53 0.40 0.09 0.00 0.00 178.44 181.56 2c3t h ILE 36 N 0.91 0.84 -0.62 1.22 5.03 -2.03 -0.39 117.51 122.46 2c3t h ILE 36 Ca 0.14 -0.20 0.00 0.00 -0.12 0.00 0.00 64.86 64.69 2c3t h ILE 36 Cb 0.67 0.21 0.00 0.00 -3.03 0.00 0.00 36.82 34.67 2c3t h ILE 36 CO 0.05 0.10 0.00 0.29 -0.68 0.00 0.00 178.15 177.91 2c3t n LYS 37 N -4.52 3.13 -2.69 2.37 5.02 -1.17 -4.94 118.16 115.37 2c3t n LYS 37 Ca 0.15 -2.53 -0.20 0.00 -2.02 0.00 0.00 58.31 53.71 2c3t n LYS 37 Cb 0.47 -1.72 0.01 0.00 -0.02 0.00 0.00 35.03 33.77 2c3t n LYS 37 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2c3t n GLY 38 N 1.27 -0.51 0.23 0.72 0.00 -0.16 -4.89 105.19 101.86 2c3t n GLY 38 Ca 0.23 0.05 0.10 0.00 0.00 0.00 0.00 46.02 46.40 2c3t n GLY 38 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2c3t h GLN 39 N -0.52 0.00 0.00 1.61 4.15 -1.20 -2.62 115.11 116.53 2c3t h GLN 39 Ca -0.47 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 58.92 2c3t h GLN 39 Cb 1.33 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 29.02 2c3t h GLN 39 CO 0.53 0.21 -0.15 1.12 -1.93 0.00 0.00 178.83 178.62 2c3t h HIS 40 N 0.00 0.00 -0.39 3.99 2.07 -1.90 -2.60 115.15 116.32 2c3t h HIS 40 Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 2c3t h HIS 40 Cb 0.61 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.59 2c3t h HIS 40 CO 0.00 0.15 0.00 1.28 -3.07 0.00 0.00 177.93 176.29 2c3t n LEU 41 N -3.33 2.26 -4.80 6.12 4.77 -0.99 -4.65 117.00 116.38 2c3t n LEU 41 Ca 0.00 -1.13 -0.31 0.00 -0.03 0.00 0.00 56.01 54.54 2c3t n LEU 41 Cb 0.37 -0.30 0.05 0.00 -2.33 0.00 0.00 43.42 41.22 2c3t n LEU 41 CO 0.31 0.52 0.71 -0.94 -1.33 0.00 0.00 177.39 176.66 2c3t s SER 42 N -0.94 5.21 0.09 -1.43 1.04 -0.98 -4.95 113.70 111.74 2c3t s SER 42 Ca 0.27 1.72 0.25 0.00 0.48 0.00 0.00 55.95 58.66 2c3t s SER 42 Cb 0.15 -2.51 0.97 0.00 0.10 0.00 0.00 66.02 64.73 2c3t s SER 42 CO 0.17 -1.56 1.77 0.47 0.98 0.00 0.00 173.24 175.07 2c3t n ASP 43 N -3.02 0.31 -0.03 7.02 10.43 -1.26 -2.64 116.55 127.35 2c3t n ASP 43 Ca 0.08 0.54 -0.10 0.00 2.57 0.00 0.00 54.79 57.89 2c3t n ASP 43 Cb 0.53 -0.62 -0.14 0.00 1.84 0.00 0.00 41.12 42.73 2c3t n ASP 43 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2c3t n ALA 44 N -1.61 1.46 0.34 2.24 0.00 -1.26 -4.00 120.51 117.67 2c3t n ALA 44 Ca 0.05 -0.80 0.12 0.00 0.00 0.00 0.00 53.44 52.81 2c3t n ALA 44 Cb 0.32 -0.78 0.18 0.00 0.00 0.00 0.00 19.45 19.16 2c3t n ALA 44 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2c3t h PHE 45 N 0.00 0.00 0.00 0.00 3.57 -1.84 -3.15 116.94 115.52 2c3t h PHE 45 Ca -0.32 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.18 2c3t h PHE 45 Cb 2.03 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.77 2c3t h PHE 45 CO 0.01 0.00 0.00 0.00 -2.23 0.00 0.00 178.31 176.09 2c3t n ALA 46 N -2.01 2.30 -0.00 2.41 0.00 -1.08 -1.99 120.51 120.13 2c3t n ALA 46 Ca 0.03 -0.13 -0.18 0.00 0.00 0.00 0.00 53.44 53.16 2c3t n ALA 46 Cb 0.50 -1.37 -0.14 0.00 0.00 0.00 0.00 19.45 18.44 2c3t n ALA 46 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2c3t n GLN 47 N -1.09 0.73 -0.03 0.00 1.13 -1.19 -3.41 117.38 113.52 2c3t n GLN 47 Ca 0.15 0.27 -0.14 0.00 -1.94 0.00 0.00 57.00 55.34 2c3t n GLN 47 Cb 0.11 -1.72 -0.10 0.00 0.11 0.00 0.00 30.24 28.63 2c3t n GLN 47 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 2c3t h VAL 48 N 0.06 1.48 -3.02 5.09 2.07 -1.59 -3.42 116.25 116.92 2c3t h VAL 48 Ca -0.40 -1.69 -0.51 0.00 0.82 0.00 0.00 66.70 64.92 2c3t h VAL 48 Cb 2.03 2.49 -0.40 0.00 -1.52 0.00 0.00 31.29 33.88 2c3t h VAL 48 CO 0.08 0.47 -0.76 0.21 0.02 0.00 0.00 177.57 177.59 2c3t s ASN 49 N -6.18 3.03 0.00 0.57 2.47 -0.84 -4.98 114.94 109.00 2c3t s ASN 49 Ca -0.15 -0.99 0.00 0.00 0.42 0.00 0.00 52.86 52.14 2c3t s ASN 49 Cb 0.02 -0.41 0.00 0.00 -1.45 0.00 0.00 41.25 39.41 2c3t s ASN 49 CO 0.73 -0.38 0.78 -2.65 -3.72 0.00 0.00 177.10 171.87 2c3t n PRO 50 N 5.18 0.00 0.03 0.43 -0.02 -1.22 -1.15 135.00 138.26 2c3t n PRO 50 Ca -0.07 0.30 0.11 0.00 -2.02 0.00 0.00 63.50 61.83 2c3t n PRO 50 Cb 0.46 -1.54 -0.04 0.00 -0.02 0.00 0.00 33.50 32.36 2c3t n PRO 50 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2c3t n LEU 51 N -1.28 0.53 -3.07 2.45 4.77 -1.26 -5.01 117.00 114.12 2c3t n LEU 51 Ca 0.00 0.05 -0.18 0.00 -0.03 0.00 0.00 56.01 55.85 2c3t n LEU 51 Cb 0.04 -0.06 0.07 0.00 -2.33 0.00 0.00 43.42 41.14 2c3t n LEU 51 CO 0.00 -0.02 0.17 0.29 -1.33 0.00 0.00 177.39 176.51 2c3t n LYS 52 N -2.19 -6.32 -4.34 3.23 5.02 -0.30 -5.03 118.16 108.23 2c3t n LYS 52 Ca -0.00 0.70 -0.18 0.00 -2.02 0.00 0.00 58.31 56.81 2c3t n LYS 52 Cb 0.49 -5.33 -0.10 0.00 -0.02 0.00 0.00 35.03 30.08 2c3t n LYS 52 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2c3t s LYS 53 N -5.79 1.32 0.19 1.97 1.02 -1.26 -4.67 119.74 112.52 2c3t s LYS 53 Ca 0.33 -1.59 0.10 0.00 0.02 0.00 0.00 55.97 54.83 2c3t s LYS 53 Cb -0.15 -1.08 -0.04 0.00 -0.52 0.00 0.00 37.83 36.04 2c3t s LYS 53 CO 0.61 0.17 -0.22 0.14 -0.92 0.00 0.00 175.35 175.13 2c3t s VAL 54 N -3.01 2.15 0.60 3.17 -7.23 -1.26 -4.53 120.40 110.29 2c3t s VAL 54 Ca 0.22 -2.01 -0.12 0.00 -1.81 0.00 0.00 61.98 58.26 2c3t s VAL 54 Cb -0.00 -2.02 -0.05 0.00 0.56 0.00 0.00 36.38 34.87 2c3t s VAL 54 CO 0.07 -0.21 1.02 -2.16 -0.31 0.00 0.00 175.10 173.51 2c3t s PRO 55 N -2.76 3.67 -0.03 4.82 0.04 -1.26 -4.84 135.00 134.63 2c3t s PRO 55 Ca 0.19 0.81 -0.00 0.00 0.04 0.00 0.00 61.00 62.05 2c3t s PRO 55 Cb -0.07 -2.09 0.03 0.00 0.04 0.00 0.00 34.50 32.41 2c3t s PRO 55 CO 0.09 -0.51 0.01 0.00 0.04 0.00 0.00 177.00 176.63 2c3t s ALA 56 N -3.03 0.31 -0.07 8.56 0.00 -0.88 -4.27 121.76 122.39 2c3t s ALA 56 Ca 0.56 0.16 -0.01 0.00 0.00 0.00 0.00 51.96 52.67 2c3t s ALA 56 Cb -0.11 -0.38 -0.03 0.00 0.00 0.00 0.00 23.12 22.60 2c3t s ALA 56 CO 0.48 -0.15 0.02 -1.17 0.00 0.00 0.00 175.76 174.94 2c3t s LEU 57 N 1.22 3.64 -0.08 0.00 0.20 -0.33 -0.26 118.68 123.07 2c3t s LEU 57 Ca -0.07 0.14 -0.03 0.00 0.69 0.00 0.00 54.13 54.85 2c3t s LEU 57 Cb -0.13 -1.90 0.05 0.00 -0.43 0.00 0.00 46.19 43.77 2c3t s LEU 57 CO -0.02 0.36 0.16 -0.75 -0.29 0.00 0.00 176.35 175.80 2c3t s LYS 58 N -1.07 0.04 -0.42 1.98 2.20 -0.52 -1.40 119.74 120.56 2c3t s LYS 58 Ca 0.15 0.54 0.02 0.00 -0.36 0.00 0.00 55.97 56.32 2c3t s LYS 58 Cb -0.11 -0.25 0.15 0.00 -1.51 0.00 0.00 37.83 36.10 2c3t s LYS 58 CO 0.05 -0.29 0.26 0.34 -0.36 0.00 0.00 175.35 175.35 2c3t s ASP 59 N 2.13 3.07 0.63 1.43 2.15 -0.19 -0.04 116.67 125.84 2c3t s ASP 59 Ca 0.01 -2.62 0.00 0.00 0.43 0.00 0.00 52.55 50.37 2c3t s ASP 59 Cb -0.12 -0.73 0.00 0.00 -0.30 0.00 0.00 42.92 41.77 2c3t s ASP 59 CO -0.06 -0.25 0.00 0.61 -0.17 0.00 0.00 175.17 175.30 2c3t n GLY 60 N 3.50 0.53 0.05 2.66 0.00 -1.26 -2.75 105.19 107.92 2c3t n GLY 60 Ca 0.14 -0.76 0.16 0.00 0.00 0.00 0.00 46.02 45.56 2c3t n GLY 60 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2c3t n ASP 61 N 5.48 0.17 -4.57 1.61 5.68 -1.26 -4.74 116.55 118.91 2c3t n ASP 61 Ca 0.00 -1.00 -0.41 0.00 -0.50 0.00 0.00 54.79 52.88 2c3t n ASP 61 Cb 0.00 -0.02 -0.08 0.00 -1.14 0.00 0.00 41.12 39.89 2c3t n ASP 61 CO 0.00 0.00 0.00 0.12 -1.33 0.00 0.00 177.20 175.99 2c3t s PHE 62 N -2.04 3.20 -0.04 2.11 5.36 -1.11 -5.05 117.98 120.41 2c3t s PHE 62 Ca 0.46 0.28 0.05 0.00 -0.96 0.00 0.00 56.93 56.76 2c3t s PHE 62 Cb 0.22 -2.87 -0.02 0.00 -0.34 0.00 0.00 43.02 40.01 2c3t s PHE 62 CO 0.37 -0.47 -0.18 0.99 -1.46 0.00 0.00 175.22 174.47 2c3t s THR 63 N 2.36 2.72 -0.02 0.12 2.01 -1.26 -1.02 115.64 120.55 2c3t s THR 63 Ca 0.19 -0.87 -0.01 0.00 0.31 0.00 0.00 61.69 61.31 2c3t s THR 63 Cb -0.15 -2.03 0.01 0.00 0.01 0.00 0.00 72.50 70.33 2c3t s THR 63 CO 0.12 0.58 0.04 -0.22 -0.69 0.00 0.00 174.62 174.46 2c3t s LEU 64 N -0.72 1.76 0.00 4.42 2.96 -0.49 -5.01 118.68 121.60 2c3t s LEU 64 Ca 0.11 0.09 0.00 0.00 -0.22 0.00 0.00 54.13 54.11 2c3t s LEU 64 Cb -0.10 0.14 -0.00 0.00 0.50 0.00 0.00 46.19 46.72 2c3t s LEU 64 CO 0.00 -0.03 0.01 0.35 -1.32 0.00 0.00 176.35 175.37 2c3t n THR 65 N 3.16 0.00 -1.93 3.68 -2.24 -1.26 -1.19 114.28 114.50 2c3t n THR 65 Ca -0.13 -1.86 -0.02 0.00 -2.27 0.00 0.00 64.05 59.77 2c3t n THR 65 Cb 0.59 0.40 -0.01 0.00 -2.10 0.00 0.00 70.33 69.21 2c3t n THR 65 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2c3t n GLU 66 N -0.95 -2.67 -0.32 -0.78 -0.58 -1.26 -4.44 120.64 109.63 2c3t n GLU 66 Ca -0.15 2.20 0.19 0.00 -0.42 0.00 0.00 57.16 58.98 2c3t n GLU 66 Cb 0.50 -3.03 0.39 0.00 -0.57 0.00 0.00 31.44 28.73 2c3t n GLU 66 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 2c3t h SER 67 N 2.27 0.41 -0.57 1.62 4.64 -1.92 -0.85 113.55 119.15 2c3t h SER 67 Ca -0.17 0.18 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 2c3t h SER 67 Cb 0.39 0.14 -0.03 0.00 -0.31 0.00 0.00 62.40 62.59 2c3t h SER 67 CO 0.00 -0.07 0.31 0.58 -0.87 0.00 0.00 176.83 176.78 2c3t h VAL 68 N 0.36 1.19 -0.22 0.95 2.07 -1.97 0.31 116.25 118.95 2c3t h VAL 68 Ca 0.65 -0.48 -0.11 0.00 0.82 0.00 0.00 66.70 67.58 2c3t h VAL 68 Cb 1.38 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 2c3t h VAL 68 CO -0.58 0.21 -0.34 0.00 0.02 0.00 0.00 177.57 176.87 2c3t h ALA 69 N 1.14 1.01 -0.19 1.67 0.00 -1.44 -1.81 119.26 119.64 2c3t h ALA 69 Ca 0.20 -0.39 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 2c3t h ALA 69 Cb 0.05 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2c3t h ALA 69 CO -0.03 0.60 -0.09 0.82 0.00 0.00 0.00 179.25 180.55 2c3t h ILE 70 N 0.39 1.31 -0.40 0.00 2.04 -0.81 -1.06 117.51 118.97 2c3t h ILE 70 Ca 0.04 -1.13 -0.00 0.00 1.00 0.00 0.00 64.86 64.77 2c3t h ILE 70 Cb 0.79 1.65 -0.02 0.00 -0.74 0.00 0.00 36.82 38.50 2c3t h ILE 70 CO 0.06 0.34 0.24 -0.07 0.00 0.00 0.00 178.15 178.72 2c3t h LEU 71 N 0.09 0.48 -0.81 1.44 3.38 -0.86 -0.48 115.31 118.56 2c3t h LEU 71 Ca 0.04 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 2c3t h LEU 71 Cb 0.56 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 2c3t h LEU 71 CO 0.03 0.40 0.03 -0.07 0.09 0.00 0.00 178.44 178.91 2c3t h LEU 72 N 0.53 0.89 -0.29 1.67 3.38 -1.31 -2.24 115.31 117.93 2c3t h LEU 72 Ca 0.14 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 2c3t h LEU 72 Cb 0.00 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 2c3t h LEU 72 CO -0.03 0.93 0.09 0.22 0.09 0.00 0.00 178.44 179.74 2c3t h TYR 73 N 0.86 0.47 0.00 1.13 5.03 -0.80 -2.67 116.97 120.99 2c3t h TYR 73 Ca 0.17 -0.05 -0.04 0.00 2.58 0.00 0.00 58.73 61.39 2c3t h TYR 73 Cb 0.47 -0.14 -0.01 0.00 1.55 0.00 0.00 36.73 38.60 2c3t h TYR 73 CO 0.03 0.50 -0.18 -0.07 -1.32 0.00 0.00 178.16 177.12 2c3t h LEU 74 N 0.31 0.00 -1.35 2.82 3.38 -0.97 -0.13 115.31 119.36 2c3t h LEU 74 Ca 0.09 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 2c3t h LEU 74 Cb 0.25 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 2c3t h LEU 74 CO -0.00 0.18 -0.07 0.74 0.09 0.00 0.00 178.44 179.38 2c3t h THR 75 N 0.00 0.18 0.00 0.22 2.02 -1.07 -2.69 112.91 111.56 2c3t h THR 75 Ca -0.00 -0.69 -0.35 0.00 0.77 0.00 0.00 66.41 66.13 2c3t h THR 75 Cb 0.33 1.59 -0.06 0.00 -1.74 0.00 0.00 68.15 68.27 2c3t h THR 75 CO 0.02 0.07 -2.29 0.54 0.37 0.00 0.00 175.52 174.23 2c3t n ARG 76 N -3.20 0.55 0.09 6.66 1.74 -0.80 -3.55 116.66 118.15 2c3t n ARG 76 Ca 0.00 0.15 0.01 0.00 -0.77 0.00 0.00 57.85 57.25 2c3t n ARG 76 Cb 0.34 -1.42 0.33 0.00 -1.02 0.00 0.00 32.46 30.69 2c3t n ARG 76 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 2c3t h LYS 77 N -0.22 0.30 -0.03 5.56 1.63 -1.11 -3.27 116.57 119.43 2c3t h LYS 77 Ca -0.53 -0.08 0.00 0.00 -0.85 0.00 0.00 60.65 59.19 2c3t h LYS 77 Cb 1.71 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 33.31 2c3t h LYS 77 CO -0.15 0.47 0.00 0.66 -3.45 0.00 0.00 179.45 176.98 2c3t n TYR 78 N -4.23 0.04 -2.89 1.91 4.02 -1.02 -5.08 117.16 109.91 2c3t n TYR 78 Ca -0.00 -0.12 -0.01 0.00 -0.01 0.00 0.00 57.90 57.76 2c3t n TYR 78 Cb 0.31 -0.01 -0.01 0.00 -0.02 0.00 0.00 39.34 39.61 2c3t n TYR 78 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 2c3t n LYS 79 N 0.14 -1.83 -4.22 -0.72 4.01 -1.23 -5.03 118.16 109.28 2c3t n LYS 79 Ca 0.03 1.56 -0.27 0.00 -0.51 0.00 0.00 58.31 59.12 2c3t n LYS 79 Cb 0.15 -1.59 -0.06 0.00 -0.51 0.00 0.00 35.03 33.02 2c3t n LYS 79 CO 0.00 0.00 0.00 0.14 -1.11 0.00 0.00 177.40 176.43 2c3t s VAL 80 N -0.12 1.98 0.27 -0.18 -7.23 -1.26 -5.08 120.40 108.78 2c3t s VAL 80 Ca -0.05 -1.73 -0.27 0.00 -1.81 0.00 0.00 61.98 58.12 2c3t s VAL 80 Cb 0.00 -2.71 -0.15 0.00 0.56 0.00 0.00 36.38 34.09 2c3t s VAL 80 CO 0.13 0.00 0.71 -2.65 -0.31 0.00 0.00 175.10 172.99 2c3t n PRO 81 N -1.32 0.63 -0.33 4.82 -0.02 -1.26 -4.87 135.00 132.66 2c3t n PRO 81 Ca -0.04 0.22 0.09 0.00 -2.02 0.00 0.00 63.50 61.75 2c3t n PRO 81 Cb 0.65 -1.41 0.29 0.00 -0.02 0.00 0.00 33.50 33.00 2c3t n PRO 81 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 2c3t h ASP 82 N 1.36 0.84 -0.38 2.55 1.82 -1.98 -3.11 116.42 117.53 2c3t h ASP 82 Ca -0.35 0.05 0.11 0.00 -0.39 0.00 0.00 57.03 56.45 2c3t h ASP 82 Cb 1.39 -0.12 -0.02 0.00 0.68 0.00 0.00 39.33 41.27 2c3t h ASP 82 CO 0.57 0.44 0.37 0.10 -1.61 0.00 0.00 179.24 179.11 2c3t h TYR 83 N 0.90 0.00 0.53 0.28 -0.00 -1.89 -1.63 116.97 115.15 2c3t h TYR 83 Ca 0.48 0.00 -0.03 0.00 0.00 0.00 0.00 58.73 59.18 2c3t h TYR 83 Cb 0.56 0.00 0.01 0.00 0.00 0.00 0.00 36.73 37.30 2c3t h TYR 83 CO -0.00 0.00 -0.25 -1.49 -0.00 0.00 0.00 178.16 176.41 2c3t h TRP 84 N 0.00 -0.66 -2.56 0.10 4.06 -1.67 -3.35 115.95 111.86 2c3t h TRP 84 Ca 0.18 -0.02 -0.59 0.00 2.06 0.00 0.00 58.89 60.52 2c3t h TRP 84 Cb 0.91 0.22 -0.39 0.00 -1.00 0.00 0.00 29.16 28.90 2c3t h TRP 84 CO 0.00 -0.40 -0.88 -0.47 -3.56 0.00 0.00 178.44 173.14 2c3t s TYR 85 N -5.95 1.45 0.26 0.49 5.04 -1.14 -1.68 117.35 115.83 2c3t s TYR 85 Ca -0.17 -2.36 -0.29 0.00 -2.44 0.00 0.00 57.07 51.82 2c3t s TYR 85 Cb 0.04 -1.26 -0.14 0.00 0.35 0.00 0.00 41.96 40.95 2c3t s TYR 85 CO 0.62 -0.79 1.11 -2.30 -1.34 0.00 0.00 175.55 172.86 2c3t n PRO 86 N 3.00 1.46 0.14 4.97 -0.02 -0.63 -4.92 135.00 139.00 2c3t n PRO 86 Ca 0.23 0.51 0.01 0.00 -2.02 0.00 0.00 63.50 62.24 2c3t n PRO 86 Cb 0.43 -1.96 0.32 0.00 -0.02 0.00 0.00 33.50 32.27 2c3t n PRO 86 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 2c3t h GLN 87 N 2.59 0.12 -6.37 -0.52 4.20 -1.98 -3.35 115.11 109.80 2c3t h GLN 87 Ca -0.41 -0.05 -0.58 0.00 0.06 0.00 0.00 58.65 57.67 2c3t h GLN 87 Cb 1.33 -0.01 0.03 0.00 0.30 0.00 0.00 27.48 29.13 2c3t h GLN 87 CO 0.64 0.45 1.08 -3.47 -0.67 0.00 0.00 178.83 176.87 2c3t n ASP 88 N -4.10 3.64 -0.23 1.46 2.03 -1.26 -4.87 116.55 113.22 2c3t n ASP 88 Ca -0.02 0.98 -0.02 0.00 0.52 0.00 0.00 54.79 56.25 2c3t n ASP 88 Cb 0.41 -1.44 0.04 0.00 -0.72 0.00 0.00 41.12 39.41 2c3t n ASP 88 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 2c3t h LEU 89 N 8.85 -0.94 -0.44 -2.67 5.85 -1.99 0.64 115.31 124.61 2c3t h LEU 89 Ca -0.48 0.22 -0.17 0.00 0.84 0.00 0.00 57.88 58.29 2c3t h LEU 89 Cb 1.25 0.52 -0.00 0.00 0.37 0.00 0.00 40.66 42.80 2c3t h LEU 89 CO 0.94 -0.27 -0.61 1.56 -0.34 0.00 0.00 178.44 179.72 2c3t h GLN 90 N -0.08 0.58 -0.30 1.25 4.20 -1.95 -2.12 115.11 116.69 2c3t h GLN 90 Ca 0.29 -0.39 -0.11 0.00 0.06 0.00 0.00 58.65 58.49 2c3t h GLN 90 Cb 0.54 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.36 2c3t h GLN 90 CO -0.71 1.01 -0.29 0.00 -0.67 0.00 0.00 178.83 178.17 2c3t h ALA 91 N 0.90 0.94 -0.29 3.87 0.00 -1.75 -2.66 119.26 120.28 2c3t h ALA 91 Ca -0.00 -0.38 -0.14 0.00 0.00 0.00 0.00 54.91 54.39 2c3t h ALA 91 Cb 1.17 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 2c3t h ALA 91 CO 0.11 0.61 -0.38 -0.09 0.00 0.00 0.00 179.25 179.51 2c3t h ARG 92 N 0.53 0.67 -0.57 0.00 2.43 -0.85 -2.86 114.38 113.72 2c3t h ARG 92 Ca 0.07 -0.33 -0.05 0.00 -0.81 0.00 0.00 59.98 58.85 2c3t h ARG 92 Cb 0.76 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.29 2c3t h ARG 92 CO 0.06 0.94 0.16 0.00 -1.51 0.00 0.00 179.97 179.62 2c3t h ALA 93 N 1.02 1.20 -0.48 2.80 0.00 -1.17 -1.74 119.26 120.89 2c3t h ALA 93 Ca 0.05 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 2c3t h ALA 93 Cb 0.90 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 2c3t h ALA 93 CO 0.08 0.55 0.09 0.00 0.00 0.00 0.00 179.25 179.98 2c3t h ARG 94 N 0.84 0.73 -0.10 0.00 3.08 -1.26 0.21 114.38 117.89 2c3t h ARG 94 Ca 0.19 -0.15 -0.02 0.00 0.07 0.00 0.00 59.98 60.07 2c3t h ARG 94 Cb 0.28 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.21 2c3t h ARG 94 CO -0.00 0.68 0.00 0.28 -1.07 0.00 0.00 179.97 179.86 2c3t h VAL 95 N 0.71 1.25 -0.86 2.04 2.07 -1.28 -1.62 116.25 118.56 2c3t h VAL 95 Ca 0.16 -0.78 0.01 0.00 0.82 0.00 0.00 66.70 66.91 2c3t h VAL 95 Cb 0.30 1.58 -0.04 0.00 -1.52 0.00 0.00 31.29 31.61 2c3t h VAL 95 CO 0.00 0.22 0.57 0.44 0.02 0.00 0.00 177.57 178.82 2c3t h ASP 96 N -0.10 0.97 -0.42 0.57 3.32 -0.98 0.02 116.42 119.80 2c3t h ASP 96 Ca 0.03 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.06 2c3t h ASP 96 Cb 0.34 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 2c3t h ASP 96 CO 0.00 0.70 0.26 -0.08 -1.72 0.00 0.00 179.24 178.41 2c3t h GLU 97 N 1.15 0.55 -0.22 3.56 4.81 -0.46 -1.04 114.58 122.94 2c3t h GLU 97 Ca 0.32 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.45 2c3t h GLU 97 Cb -0.10 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.15 2c3t h GLU 97 CO -0.08 0.39 -0.09 -0.92 -0.73 0.00 0.00 179.01 177.58 2c3t h TYR 98 N 0.56 0.51 -0.02 0.92 3.20 -0.94 -1.32 116.97 119.87 2c3t h TYR 98 Ca 0.15 -0.12 0.01 0.00 3.14 0.00 0.00 58.73 61.90 2c3t h TYR 98 Cb -0.04 -0.12 -0.00 0.00 1.54 0.00 0.00 36.73 38.11 2c3t h TYR 98 CO -0.04 0.72 0.01 -0.07 -1.64 0.00 0.00 178.16 177.14 2c3t h LEU 99 N 0.15 0.00 0.20 2.82 3.38 -0.78 -0.79 115.31 120.29 2c3t h LEU 99 Ca 0.05 -0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.71 2c3t h LEU 99 Cb 0.58 -0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.35 2c3t h LEU 99 CO 0.03 0.00 -1.45 0.00 0.09 0.00 0.00 178.44 177.11 2c3t h ALA 100 N 1.99 -0.02 -0.29 1.53 0.00 -1.17 -3.37 119.26 117.94 2c3t h ALA 100 Ca 0.01 -0.94 -0.02 0.00 0.00 0.00 0.00 54.91 53.96 2c3t h ALA 100 Cb 0.03 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2c3t h ALA 100 CO -0.00 0.75 0.11 2.35 0.00 0.00 0.00 179.25 182.46 2c3t h TRP 101 N -0.00 0.44 -0.35 0.00 7.01 -0.52 -3.28 115.95 119.24 2c3t h TRP 101 Ca -0.27 -0.03 0.10 0.00 2.11 0.00 0.00 58.89 60.80 2c3t h TRP 101 Cb 2.02 -0.13 -0.01 0.00 -2.10 0.00 0.00 29.16 28.93 2c3t h TRP 101 CO 0.13 0.43 0.27 -0.56 -2.79 0.00 0.00 178.44 175.93 2c3t h GLN 102 N 0.31 0.00 -0.32 2.65 -0.00 -1.33 -3.28 115.11 113.15 2c3t h GLN 102 Ca 0.10 0.00 0.07 0.00 -0.00 0.00 0.00 58.65 58.82 2c3t h GLN 102 Cb 0.18 0.00 -0.08 0.00 -0.00 0.00 0.00 27.48 27.58 2c3t h GLN 102 CO -0.01 0.00 -0.23 0.45 -0.00 0.00 0.00 178.83 179.04 2c3t h HIS 103 N 0.00 -0.61 -0.51 0.06 3.86 -1.74 -1.02 115.15 115.18 2c3t h HIS 103 Ca 0.17 0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.42 2c3t h HIS 103 Cb 0.70 0.32 0.00 0.00 1.06 0.00 0.00 27.41 29.49 2c3t h HIS 103 CO 0.00 -0.31 0.00 0.25 0.86 0.00 0.00 177.93 178.73 2c3t n THR 104 N -5.38 0.68 0.00 2.45 -2.24 -1.23 -4.05 114.28 104.50 2c3t n THR 104 Ca 0.00 -0.75 0.00 0.00 -2.27 0.00 0.00 64.05 61.04 2c3t n THR 104 Cb 0.29 0.54 0.00 0.00 -2.10 0.00 0.00 70.33 69.06 2c3t n THR 104 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2c3t n THR 105 N 1.23 0.00 0.01 4.28 -2.24 -1.00 -4.79 114.28 111.78 2c3t n THR 105 Ca 0.20 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.98 2c3t n THR 105 Cb 0.52 -0.04 0.31 0.00 -2.10 0.00 0.00 70.33 69.02 2c3t n THR 105 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2c3t h LEU 106 N 0.00 0.47 -0.28 3.22 5.85 -1.80 0.36 115.31 123.12 2c3t h LEU 106 Ca 0.00 -0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.61 2c3t h LEU 106 Cb 0.00 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 2c3t h LEU 106 CO 0.00 0.54 0.11 -0.09 -0.34 0.00 0.00 178.44 178.66 2c3t h ARG 107 N 0.48 0.43 -0.29 1.25 2.43 -1.43 -1.09 114.38 116.16 2c3t h ARG 107 Ca 0.10 -0.08 -0.06 0.00 -0.81 0.00 0.00 59.98 59.13 2c3t h ARG 107 Cb 0.33 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 2c3t h ARG 107 CO 0.01 0.46 -0.06 -0.09 -1.51 0.00 0.00 179.97 178.78 2c3t h ARG 108 N 0.30 0.55 -0.51 0.20 2.43 -1.59 -2.05 114.38 113.70 2c3t h ARG 108 Ca 0.09 -0.20 -0.08 0.00 -0.81 0.00 0.00 59.98 58.98 2c3t h ARG 108 Cb 0.20 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.70 2c3t h ARG 108 CO -0.01 0.74 0.03 0.77 -1.51 0.00 0.00 179.97 179.99 2c3t h SER 109 N 0.31 0.87 -0.08 -3.80 0.02 -0.90 -0.63 113.55 109.34 2c3t h SER 109 Ca 0.07 -0.29 -0.10 0.00 -0.84 0.00 0.00 61.79 60.63 2c3t h SER 109 Cb 0.53 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.82 2c3t h SER 109 CO 0.03 0.94 -0.27 0.00 -1.14 0.00 0.00 176.83 176.39 2c3t h LEU 111 N 0.46 0.36 -1.27 0.00 5.85 -1.26 -2.85 115.31 116.59 2c3t h LEU 111 Ca 0.06 -0.54 -0.07 0.00 0.84 0.00 0.00 57.88 58.17 2c3t h LEU 111 Cb 0.71 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 2c3t h LEU 111 CO 0.05 0.83 -0.23 0.03 -0.34 0.00 0.00 178.44 178.78 2c3t h ARG 112 N -0.11 0.20 0.02 1.25 3.08 -1.08 -2.75 114.38 115.00 2c3t h ARG 112 Ca 0.01 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.00 2c3t h ARG 112 Cb 0.77 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.80 2c3t h ARG 112 CO 0.04 0.43 -0.01 0.00 -1.07 0.00 0.00 179.97 179.36 2c3t h ALA 113 N 1.58 -0.03 -0.33 0.04 0.00 -1.26 -0.36 119.26 118.90 2c3t h ALA 113 Ca 0.03 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.92 2c3t h ALA 113 Cb 0.52 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.27 2c3t h ALA 113 CO 0.04 -0.45 0.03 1.25 0.00 0.00 0.00 179.25 180.12 2c3t h LEU 114 N -0.17 -0.07 -0.12 0.00 5.85 -1.32 -1.00 115.31 118.47 2c3t h LEU 114 Ca -0.00 0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.74 2c3t h LEU 114 Cb 0.16 0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.30 2c3t h LEU 114 CO 0.01 0.00 -0.09 -0.50 -0.34 0.00 0.00 178.44 177.52 2c3t h TRP 115 N 0.13 0.32 0.00 1.25 4.06 -1.43 0.03 115.95 120.32 2c3t h TRP 115 Ca 0.16 -0.09 -0.07 0.00 2.06 0.00 0.00 58.89 60.95 2c3t h TRP 115 Cb 0.20 -0.07 -0.01 0.00 -1.00 0.00 0.00 29.16 28.28 2c3t h TRP 115 CO -0.21 0.65 -0.34 0.45 -3.56 0.00 0.00 178.44 175.43 2c3t h HIS 116 N -0.10 0.00 0.04 0.49 3.86 -0.98 -1.58 115.15 116.88 2c3t h HIS 116 Ca 0.02 0.00 -0.34 0.00 -1.16 0.00 0.00 60.37 58.90 2c3t h HIS 116 Cb 0.58 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.01 2c3t h HIS 116 CO 0.08 0.34 -1.98 1.17 0.86 0.00 0.00 177.93 178.40 2c3t n LYS 117 N -3.56 0.68 0.07 2.45 0.00 -0.39 -4.77 118.16 112.65 2c3t n LYS 117 Ca -0.00 0.23 0.00 0.00 0.00 0.00 0.00 58.31 58.53 2c3t n LYS 117 Cb 0.47 -1.70 0.00 0.00 0.00 0.00 0.00 35.03 33.80 2c3t n LYS 117 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 2c3t n VAL 118 N -3.17 0.38 -0.26 3.15 0.31 -0.05 -4.83 118.33 113.85 2c3t n VAL 118 Ca -0.27 0.12 0.07 0.00 -0.01 0.00 0.00 64.34 64.25 2c3t n VAL 118 Cb 1.06 -0.81 0.20 0.00 -0.91 0.00 0.00 33.84 33.38 2c3t n VAL 118 CO 0.00 0.00 0.00 0.24 -1.32 0.00 0.00 176.83 175.75 2c3t h MET 119 N 0.00 0.28 0.64 5.55 2.86 -1.51 -1.30 114.93 121.45 2c3t h MET 119 Ca 0.00 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.59 2c3t h MET 119 Cb 0.00 -0.06 0.01 0.00 0.06 0.00 0.00 31.60 31.60 2c3t h MET 119 CO 0.00 0.19 -0.31 0.74 1.06 0.00 0.00 176.91 178.59 2c3t h PHE 120 N 0.29 -0.79 -0.22 -0.22 -1.00 -1.54 -1.50 116.94 111.95 2c3t h PHE 120 Ca 0.44 -0.02 0.04 0.00 2.81 0.00 0.00 57.97 61.25 2c3t h PHE 120 Cb 0.77 0.26 -0.04 0.00 3.61 0.00 0.00 35.95 40.55 2c3t h PHE 120 CO -0.25 -0.49 -0.04 -1.00 -1.61 0.00 0.00 178.31 174.92 2c3t h PRO 121 N -1.02 0.02 0.00 1.51 0.13 -1.40 0.14 132.00 131.38 2c3t h PRO 121 Ca -0.09 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.04 2c3t h PRO 121 Cb 0.66 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.78 2c3t h PRO 121 CO 0.14 0.01 0.00 0.28 -0.23 0.00 0.00 178.00 178.20 2c3t n VAL 122 N -5.19 0.00 0.09 1.56 0.31 -0.50 -2.67 118.33 111.93 2c3t n VAL 122 Ca -0.02 0.20 0.17 0.00 -0.01 0.00 0.00 64.34 64.68 2c3t n VAL 122 Cb 0.13 -0.40 0.71 0.00 -0.91 0.00 0.00 33.84 33.36 2c3t n VAL 122 CO 0.00 0.00 0.00 0.15 -1.32 0.00 0.00 176.83 175.66 2c3t h PHE 123 N 0.00 0.00 -0.02 3.52 3.57 -1.54 -3.06 116.94 119.41 2c3t h PHE 123 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2c3t h PHE 123 Cb 0.00 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.74 2c3t h PHE 123 CO 0.00 0.00 0.00 1.28 -2.23 0.00 0.00 178.31 177.36 2c3t n LEU 124 N -4.29 1.45 -3.86 0.59 4.77 -0.63 -1.03 117.00 114.00 2c3t n LEU 124 Ca 0.06 -1.10 -0.26 0.00 -0.03 0.00 0.00 56.01 54.67 2c3t n LEU 124 Cb 0.45 -0.01 0.01 0.00 -2.33 0.00 0.00 43.42 41.55 2c3t n LEU 124 CO 0.34 0.32 -0.05 0.61 -1.33 0.00 0.00 177.39 177.29 2c3t n GLY 125 N 0.19 -0.35 3.01 -0.72 0.00 -0.21 -4.96 105.19 102.16 2c3t n GLY 125 Ca 0.03 0.15 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 2c3t n GLY 125 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2c3t s GLU 126 N -6.38 1.86 0.51 1.61 0.41 0.32 -4.97 118.70 112.07 2c3t s GLU 126 Ca 0.26 -1.34 -0.22 0.00 -0.41 0.00 0.00 54.97 53.25 2c3t s GLU 126 Cb -0.13 -2.84 -0.06 0.00 -1.78 0.00 0.00 34.13 29.32 2c3t s GLU 126 CO 0.84 -0.67 1.26 -1.25 -0.49 0.00 0.00 175.26 174.95 2c3t s PRO 127 N 1.16 3.43 -0.17 0.39 0.04 -1.26 -2.19 135.00 136.40 2c3t s PRO 127 Ca -0.04 1.99 0.00 0.00 0.04 0.00 0.00 61.00 62.99 2c3t s PRO 127 Cb -0.19 -2.31 0.04 0.00 0.04 0.00 0.00 34.50 32.07 2c3t s PRO 127 CO -0.07 -0.88 -0.10 0.08 0.04 0.00 0.00 177.00 176.08 2c3t s VAL 128 N -1.44 1.41 0.26 -0.36 1.01 -1.26 -4.94 120.40 115.07 2c3t s VAL 128 Ca 0.68 -0.73 -0.29 0.00 0.00 0.00 0.00 61.98 61.64 2c3t s VAL 128 Cb -0.34 -1.46 -0.14 0.00 0.00 0.00 0.00 36.38 34.44 2c3t s VAL 128 CO 0.41 0.25 1.08 -1.54 0.00 0.00 0.00 175.10 175.30 2c3t n SER 129 N 4.79 1.43 0.23 3.32 3.41 -1.26 -4.77 113.62 120.76 2c3t n SER 129 Ca -0.14 1.17 0.16 0.00 -0.26 0.00 0.00 58.87 59.80 2c3t n SER 129 Cb 0.48 -1.28 0.72 0.00 -0.26 0.00 0.00 64.21 63.87 2c3t n SER 129 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 2c3t h PRO 130 N 2.51 0.00 0.00 4.33 0.11 -1.99 0.10 132.00 137.06 2c3t h PRO 130 Ca -0.41 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 65.49 2c3t h PRO 130 Cb 1.34 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.41 2c3t h PRO 130 CO 0.64 0.00 -1.22 1.96 -0.21 0.00 0.00 178.00 179.17 2c3t h GLN 131 N 0.00 0.00 -0.36 1.05 4.20 -1.97 -1.83 115.11 116.20 2c3t h GLN 131 Ca 0.09 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.65 2c3t h GLN 131 Cb 1.01 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.78 2c3t h GLN 131 CO -0.00 0.65 -0.36 1.15 -0.67 0.00 0.00 178.83 179.60 2c3t h THR 132 N 0.00 1.28 -0.43 -0.54 2.02 -1.14 0.13 112.91 114.23 2c3t h THR 132 Ca -0.12 -1.53 -0.14 0.00 0.77 0.00 0.00 66.41 65.38 2c3t h THR 132 Cb 1.76 1.44 -0.01 0.00 -1.74 0.00 0.00 68.15 69.60 2c3t h THR 132 CO 0.09 0.51 -0.29 0.25 0.37 0.00 0.00 175.52 176.45 2c3t h LEU 133 N 0.68 0.99 -0.97 2.58 5.85 -1.54 -1.76 115.31 121.14 2c3t h LEU 133 Ca 0.06 -0.43 -0.08 0.00 0.84 0.00 0.00 57.88 58.27 2c3t h LEU 133 Cb 0.95 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.69 2c3t h LEU 133 CO 0.09 1.21 -0.10 0.00 -0.34 0.00 0.00 178.44 179.30 2c3t h ALA 134 N 0.81 1.14 -0.17 1.25 0.00 -1.19 0.81 119.26 121.91 2c3t h ALA 134 Ca 0.09 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 2c3t h ALA 134 Cb 0.87 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 2c3t h ALA 134 CO 0.08 0.54 -0.05 0.00 0.00 0.00 0.00 179.25 179.83 2c3t h ALA 135 N 1.31 0.24 -0.61 0.00 0.00 -0.59 -1.06 119.26 118.55 2c3t h ALA 135 Ca 0.11 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 2c3t h ALA 135 Cb 0.52 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 2c3t h ALA 135 CO 0.03 0.01 0.25 1.15 0.00 0.00 0.00 179.25 180.69 2c3t h THR 136 N 0.05 1.23 0.00 0.00 2.02 -1.05 -0.77 112.91 114.38 2c3t h THR 136 Ca 0.04 -0.71 -0.09 0.00 0.77 0.00 0.00 66.41 66.42 2c3t h THR 136 Cb 0.49 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 67.45 2c3t h THR 136 CO 0.02 0.28 -0.42 -0.07 0.37 0.00 0.00 175.52 175.69 2c3t h LEU 137 N 0.84 0.00 -0.13 2.58 3.38 -0.84 -1.82 115.31 119.32 2c3t h LEU 137 Ca 0.20 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.09 2c3t h LEU 137 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 2c3t h LEU 137 CO -0.02 0.42 -0.25 0.00 0.09 0.00 0.00 178.44 178.69 2c3t h ALA 138 N 1.58 0.20 -0.34 1.53 0.00 -0.67 -2.78 119.26 118.78 2c3t h ALA 138 Ca -0.00 -0.39 -0.07 0.00 0.00 0.00 0.00 54.91 54.45 2c3t h ALA 138 Cb 0.95 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 2c3t h ALA 138 CO 0.05 0.18 -0.06 1.49 0.00 0.00 0.00 179.25 180.92 2c3t h GLU 139 N -0.02 0.56 0.02 0.00 4.57 -1.08 -2.55 114.58 116.08 2c3t h GLU 139 Ca 0.01 -0.15 0.02 0.00 -1.18 0.00 0.00 59.36 58.06 2c3t h GLU 139 Cb 0.84 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 29.33 2c3t h GLU 139 CO 0.06 0.63 -0.19 1.25 -1.18 0.00 0.00 179.01 179.58 2c3t h LEU 140 N 0.53 -0.54 -0.99 1.64 5.85 -1.26 -1.84 115.31 118.71 2c3t h LEU 140 Ca 0.10 0.07 0.07 0.00 0.84 0.00 0.00 57.88 58.97 2c3t h LEU 140 Cb 0.43 0.22 -0.07 0.00 0.37 0.00 0.00 40.66 41.62 2c3t h LEU 140 CO 0.02 -0.25 0.63 0.44 -0.34 0.00 0.00 178.44 178.94 2c3t h ASP 141 N -0.31 1.01 -0.56 1.25 5.19 -1.19 0.17 116.42 121.98 2c3t h ASP 141 Ca 0.05 0.01 0.08 0.00 -0.62 0.00 0.00 57.03 56.55 2c3t h ASP 141 Cb 0.37 -0.20 -0.06 0.00 0.18 0.00 0.00 39.33 39.62 2c3t h ASP 141 CO -0.16 0.64 0.21 0.58 -3.12 0.00 0.00 179.24 177.39 2c3t h VAL 142 N 1.14 0.81 -0.03 -1.35 2.07 -1.04 0.26 116.25 118.11 2c3t h VAL 142 Ca 0.43 -0.14 -0.15 0.00 0.82 0.00 0.00 66.70 67.67 2c3t h VAL 142 Cb 0.19 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 2c3t h VAL 142 CO -0.18 0.07 -0.66 0.71 0.02 0.00 0.00 177.57 177.54 2c3t h THR 143 N 0.40 1.43 0.00 2.57 1.35 -0.41 -1.73 112.91 116.53 2c3t h THR 143 Ca 0.27 -2.16 -0.09 0.00 -0.55 0.00 0.00 66.41 63.89 2c3t h THR 143 Cb 0.30 2.14 -0.01 0.00 -1.73 0.00 0.00 68.15 68.85 2c3t h THR 143 CO -0.27 0.63 -0.42 -0.07 -0.25 0.00 0.00 175.52 175.14 2c3t h LEU 144 N 0.09 0.00 -0.05 3.87 3.38 0.17 -0.33 115.31 122.44 2c3t h LEU 144 Ca -0.01 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 2c3t h LEU 144 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 2c3t h LEU 144 CO 0.09 0.42 -0.19 -0.61 0.09 0.00 0.00 178.44 178.25 2c3t h GLN 145 N 0.00 0.22 -0.25 1.13 5.75 -0.18 -3.08 115.11 118.70 2c3t h GLN 145 Ca -0.00 -0.17 -0.01 0.00 -0.15 0.00 0.00 58.65 58.32 2c3t h GLN 145 Cb 0.76 0.03 -0.01 0.00 1.07 0.00 0.00 27.48 29.33 2c3t h GLN 145 CO 0.06 0.81 0.12 -0.07 -2.65 0.00 0.00 178.83 177.09 2c3t h LEU 146 N -0.33 0.29 -1.36 -2.39 3.38 -1.12 0.16 115.31 113.95 2c3t h LEU 146 Ca -0.01 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 2c3t h LEU 146 Cb 0.83 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 2c3t h LEU 146 CO 0.04 0.25 0.21 0.25 0.09 0.00 0.00 178.44 179.28 2c3t h LEU 147 N 0.34 0.57 0.07 1.67 5.85 -1.01 -1.14 115.31 121.67 2c3t h LEU 147 Ca 0.09 -0.05 -0.23 0.00 0.84 0.00 0.00 57.88 58.52 2c3t h LEU 147 Cb 0.03 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 2c3t h LEU 147 CO -0.01 0.50 -1.21 -0.33 -0.34 0.00 0.00 178.44 177.05 2c3t h GLU 148 N 0.64 0.16 -0.34 1.25 5.08 -1.06 -1.42 114.58 118.88 2c3t h GLU 148 Ca 0.16 -0.27 -0.14 0.00 -1.00 0.00 0.00 59.36 58.11 2c3t h GLU 148 Cb 0.09 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 2c3t h GLU 148 CO -0.02 1.13 -0.35 -0.44 -1.00 0.00 0.00 179.01 178.33 2c3t h ASP 149 N -0.54 0.81 0.13 1.42 3.32 -1.05 0.25 116.42 120.77 2c3t h ASP 149 Ca -0.28 -0.35 -0.36 0.00 0.02 0.00 0.00 57.03 56.07 2c3t h ASP 149 Cb 1.57 -0.23 -0.06 0.00 0.22 0.00 0.00 39.33 40.83 2c3t h ASP 149 CO -0.01 1.08 -2.19 1.17 -1.72 0.00 0.00 179.24 177.57 2c3t n LYS 150 N -4.06 0.68 -0.01 3.56 3.00 -0.43 -4.80 118.16 116.10 2c3t n LYS 150 Ca -0.01 0.15 -0.02 0.00 -0.00 0.00 0.00 58.31 58.43 2c3t n LYS 150 Cb 0.51 -1.61 -0.01 0.00 0.00 0.00 0.00 35.03 33.92 2c3t n LYS 150 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 2c3t n PHE 151 N -3.08 0.00 0.04 5.64 3.72 -1.14 -4.90 117.46 117.74 2c3t n PHE 151 Ca -0.33 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.06 2c3t n PHE 151 Cb 1.07 -0.09 -0.01 0.00 -0.94 0.00 0.00 39.48 39.51 2c3t n PHE 151 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 2c3t h LEU 152 N -0.18 -0.08 0.00 4.37 5.85 -1.37 -3.43 115.31 120.47 2c3t h LEU 152 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2c3t h LEU 152 Cb 0.18 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.23 2c3t h LEU 152 CO 0.00 -0.06 0.00 0.00 -0.34 0.00 0.00 178.44 178.04 2c3t n GLN 153 N -2.26 0.00 -0.33 1.25 6.02 0.89 -2.43 117.38 120.53 2c3t n GLN 153 Ca -0.01 0.00 0.07 0.00 -0.01 0.00 0.00 57.00 57.05 2c3t n GLN 153 Cb 0.04 0.00 0.22 0.00 1.02 0.00 0.00 30.24 31.51 2c3t n GLN 153 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2c3t n ASN 154 N 9.43 3.50 -4.93 1.08 3.02 -1.26 -5.02 115.26 121.08 2c3t n ASN 154 Ca 0.00 -2.45 -0.25 0.00 -0.03 0.00 0.00 54.58 51.84 2c3t n ASN 154 Cb 0.00 -0.39 0.04 0.00 -0.61 0.00 0.00 39.78 38.82 2c3t n ASN 154 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2c3t s LYS 155 N -1.82 2.76 0.09 3.52 1.02 -1.02 -5.01 119.74 119.28 2c3t s LYS 155 Ca 0.34 -0.19 -0.16 0.00 0.02 0.00 0.00 55.97 55.98 2c3t s LYS 155 Cb 0.23 -2.31 -0.09 0.00 -0.52 0.00 0.00 37.83 35.15 2c3t s LYS 155 CO 0.14 -0.76 1.44 0.00 -0.92 0.00 0.00 175.35 175.25 2c3t h ALA 156 N -0.17 0.39 -5.01 5.17 0.00 -1.89 -3.46 119.26 114.29 2c3t h ALA 156 Ca -0.45 -0.35 -0.62 0.00 0.00 0.00 0.00 54.91 53.50 2c3t h ALA 156 Cb 1.27 -0.09 -0.12 0.00 0.00 0.00 0.00 17.79 18.85 2c3t h ALA 156 CO 0.59 0.31 -0.47 1.19 0.00 0.00 0.00 179.25 180.87 2c3t n PHE 157 N -4.39 0.73 0.01 0.00 3.72 -0.33 -4.79 117.46 112.42 2c3t n PHE 157 Ca -0.04 -2.55 -0.02 0.00 -0.05 0.00 0.00 57.45 54.79 2c3t n PHE 157 Cb 0.40 -0.19 0.23 0.00 -0.94 0.00 0.00 39.48 38.97 2c3t n PHE 157 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 2c3t h LEU 158 N 0.00 0.49 -2.83 4.37 3.38 -1.88 -3.32 115.31 115.52 2c3t h LEU 158 Ca -0.38 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.44 2c3t h LEU 158 Cb 1.25 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.84 2c3t h LEU 158 CO 0.61 0.68 -0.26 0.35 0.09 0.00 0.00 178.44 179.92 2c3t n THR 159 N -4.17 1.52 -3.62 0.22 -2.24 -1.26 -4.22 114.28 100.51 2c3t n THR 159 Ca 0.00 -2.01 0.00 0.00 -2.27 0.00 0.00 64.05 59.77 2c3t n THR 159 Cb 0.36 -0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.55 2c3t n THR 159 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2c3t n GLY 160 N -1.00 -1.07 0.18 3.38 0.00 -1.25 -4.92 105.19 100.52 2c3t n GLY 160 Ca 0.13 -1.28 0.15 0.00 0.00 0.00 0.00 46.02 45.02 2c3t n GLY 160 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2c3t n PRO 161 N 0.00 1.18 -4.19 1.61 -0.04 -1.26 -1.18 135.00 131.11 2c3t n PRO 161 Ca 0.00 -0.37 -0.18 0.00 -0.04 0.00 0.00 63.50 62.91 2c3t n PRO 161 Cb 0.00 -1.49 -0.12 0.00 -0.04 0.00 0.00 33.50 31.85 2c3t n PRO 161 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2c3t s HIS 162 N -2.07 1.13 0.50 0.54 3.76 -1.26 -4.71 115.29 113.17 2c3t s HIS 162 Ca 0.42 -0.44 -0.23 0.00 -0.15 0.00 0.00 55.06 54.66 2c3t s HIS 162 Cb 0.21 -0.65 -0.06 0.00 1.11 0.00 0.00 32.58 33.19 2c3t s HIS 162 CO 0.37 0.03 1.34 -1.50 -0.85 0.00 0.00 174.74 174.14 2c3t s ILE 163 N -1.19 2.26 0.06 0.60 2.07 -1.26 -4.75 121.20 118.99 2c3t s ILE 163 Ca -0.02 0.21 0.01 0.00 -1.41 0.00 0.00 60.65 59.43 2c3t s ILE 163 Cb -0.09 -3.11 -0.00 0.00 0.13 0.00 0.00 42.46 39.38 2c3t s ILE 163 CO 0.02 0.01 0.03 -1.54 -1.91 0.00 0.00 174.94 171.54 2c3t n SER 164 N -0.67 0.55 0.23 4.50 3.41 -1.26 -4.01 113.62 116.37 2c3t n SER 164 Ca 0.08 -1.32 0.07 0.00 -0.26 0.00 0.00 58.87 57.44 2c3t n SER 164 Cb 0.45 0.19 0.54 0.00 -0.26 0.00 0.00 64.21 65.13 2c3t n SER 164 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2c3t h LEU 165 N 0.00 0.00 -0.33 1.04 3.38 -1.57 -2.58 115.31 115.25 2c3t h LEU 165 Ca -0.04 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 2c3t h LEU 165 Cb 0.18 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 2c3t h LEU 165 CO 0.06 0.20 0.16 0.00 0.09 0.00 0.00 178.44 178.96 2c3t h ALA 166 N 1.80 0.43 -0.35 1.53 0.00 -1.87 -1.44 119.26 119.37 2c3t h ALA 166 Ca -0.00 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 2c3t h ALA 166 Cb 0.40 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 2c3t h ALA 166 CO 0.03 -0.01 -0.19 -0.44 0.00 0.00 0.00 179.25 178.64 2c3t h ASP 167 N 0.41 0.65 -0.61 0.00 3.32 -1.86 -1.05 116.42 117.26 2c3t h ASP 167 Ca 0.12 -0.21 -0.09 0.00 0.02 0.00 0.00 57.03 56.86 2c3t h ASP 167 Cb 0.11 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 2c3t h ASP 167 CO -0.01 0.84 0.02 0.25 -1.72 0.00 0.00 179.24 178.61 2c3t h LEU 168 N 0.58 1.05 -0.25 1.55 5.85 -1.28 -1.68 115.31 121.13 2c3t h LEU 168 Ca 0.09 -0.30 -0.21 0.00 0.84 0.00 0.00 57.88 58.30 2c3t h LEU 168 Cb 0.65 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.40 2c3t h LEU 168 CO 0.05 1.09 -0.72 0.58 -0.34 0.00 0.00 178.44 179.09 2c3t h VAL 169 N 0.98 1.30 0.02 1.05 2.07 -1.10 -2.93 116.25 117.63 2c3t h VAL 169 Ca 0.18 -1.96 -0.00 0.00 0.82 0.00 0.00 66.70 65.74 2c3t h VAL 169 Cb 0.54 1.94 0.00 0.00 -1.52 0.00 0.00 31.29 32.25 2c3t h VAL 169 CO 0.03 0.62 -0.01 0.00 0.02 0.00 0.00 177.57 178.22 2c3t h ALA 170 N 0.68 -0.03 -0.00 1.67 0.00 -1.08 -2.06 119.26 118.43 2c3t h ALA 170 Ca -0.03 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 2c3t h ALA 170 Cb 1.33 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 2c3t h ALA 170 CO 0.14 -0.42 -0.42 0.97 0.00 0.00 0.00 179.25 179.52 2c3t h ILE 171 N -0.22 1.31 0.00 0.00 2.10 -1.39 0.10 117.51 119.41 2c3t h ILE 171 Ca -0.00 -1.45 -0.12 0.00 1.08 0.00 0.00 64.86 64.36 2c3t h ILE 171 Cb 0.21 1.78 -0.02 0.00 -1.09 0.00 0.00 36.82 37.70 2c3t h ILE 171 CO 0.00 0.42 -0.58 0.71 -1.08 0.00 0.00 178.15 177.62 2c3t h THR 172 N 0.00 1.34 -0.06 2.19 1.35 -1.43 -1.90 112.91 114.41 2c3t h THR 172 Ca -0.00 -2.04 -0.08 0.00 -0.55 0.00 0.00 66.41 63.74 2c3t h THR 172 Cb 0.75 2.12 0.00 0.00 -1.73 0.00 0.00 68.15 69.30 2c3t h THR 172 CO 0.06 0.57 -0.26 -0.33 -0.25 0.00 0.00 175.52 175.31 2c3t h GLU 173 N 0.00 0.29 0.00 4.72 5.08 -0.55 -3.23 114.58 120.89 2c3t h GLU 173 Ca -0.01 -0.22 -0.03 0.00 -1.00 0.00 0.00 59.36 58.10 2c3t h GLU 173 Cb 1.07 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.36 2c3t h GLU 173 CO 0.08 0.86 -0.13 -0.07 -1.00 0.00 0.00 179.01 178.74 2c3t h LEU 174 N -0.23 0.00 -0.87 1.33 3.38 -0.77 -2.02 115.31 116.13 2c3t h LEU 174 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2c3t h LEU 174 Cb 0.90 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.65 2c3t h LEU 174 CO 0.05 0.13 0.00 0.24 0.09 0.00 0.00 178.44 178.96 2c3t h MET 175 N 0.00 0.00 0.55 1.13 2.86 -1.35 -2.51 114.93 115.60 2c3t h MET 175 Ca -0.00 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 2c3t h MET 175 Cb 0.37 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.04 2c3t h MET 175 CO 0.02 0.00 -0.26 0.45 1.06 0.00 0.00 176.91 178.17 2c3t h HIS 176 N 0.00 -0.68 0.00 -0.22 3.86 -1.47 0.40 115.15 117.03 2c3t h HIS 176 Ca 0.00 -0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.16 2c3t h HIS 176 Cb 0.34 0.23 -0.00 0.00 1.06 0.00 0.00 27.41 29.03 2c3t h HIS 176 CO 0.00 -0.37 -0.16 -1.00 0.86 0.00 0.00 177.93 177.26 2c3t h PRO 177 N -1.10 0.00 -0.13 2.45 0.13 -1.69 -1.49 132.00 130.17 2c3t h PRO 177 Ca -0.08 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.95 2c3t h PRO 177 Cb 0.62 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.74 2c3t h PRO 177 CO 0.12 0.16 -0.39 0.28 -0.23 0.00 0.00 178.00 177.95 2c3t h VAL 178 N 0.00 1.30 0.00 1.56 2.07 -1.43 -1.14 116.25 118.60 2c3t h VAL 178 Ca -0.00 -1.48 0.00 0.00 0.82 0.00 0.00 66.70 66.04 2c3t h VAL 178 Cb 0.32 1.63 0.00 0.00 -1.52 0.00 0.00 31.29 31.72 2c3t h VAL 178 CO 0.02 0.45 0.00 1.23 0.02 0.00 0.00 177.57 179.29 2c3t h GLY 179 N 1.17 0.00 -0.25 2.17 0.00 -0.34 -2.89 103.07 102.93 2c3t h GLY 179 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 2c3t h GLY 179 CO 0.06 0.00 -0.02 0.00 0.00 0.00 0.00 176.54 176.59 2c3t n ALA 180 N -2.07 2.62 -1.12 3.60 0.00 -0.56 -4.49 120.51 118.49 2c3t n ALA 180 Ca 0.03 -0.41 -0.04 0.00 0.00 0.00 0.00 53.44 53.01 2c3t n ALA 180 Cb 0.43 -1.20 -0.02 0.00 0.00 0.00 0.00 19.45 18.66 2c3t n ALA 180 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2c3t n GLY 181 N 1.17 0.69 3.89 0.00 0.00 -1.03 -4.78 105.19 105.13 2c3t n GLY 181 Ca 0.19 -0.83 -0.29 0.00 0.00 0.00 0.00 46.02 45.09 2c3t n GLY 181 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c3t s GLN 183 N -5.10 4.15 0.18 0.00 -1.52 -1.26 -4.64 119.66 111.47 2c3t s GLN 183 Ca 0.54 0.96 0.00 0.00 -1.95 0.00 0.00 55.36 54.91 2c3t s GLN 183 Cb -0.11 -3.66 0.00 0.00 -0.22 0.00 0.00 33.01 29.02 2c3t s GLN 183 CO 0.49 -0.59 0.00 0.28 -0.25 0.00 0.00 175.29 175.23 2c3t n VAL 184 N 5.35 0.69 1.13 1.09 0.31 -1.26 -4.91 118.33 120.74 2c3t n VAL 184 Ca 0.07 0.23 0.13 0.00 -0.01 0.00 0.00 64.34 64.76 2c3t n VAL 184 Cb 0.47 -1.11 0.40 0.00 -0.91 0.00 0.00 33.84 32.69 2c3t n VAL 184 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 2c3t n PHE 185 N -3.46 0.00 -2.48 3.52 3.01 -1.26 -4.76 117.46 112.02 2c3t n PHE 185 Ca 0.00 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 58.05 2c3t n PHE 185 Cb 0.00 -0.24 -0.04 0.00 -0.01 0.00 0.00 39.48 39.19 2c3t n PHE 185 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 2c3t s GLU 186 N -2.78 4.54 0.00 -1.08 8.01 -1.26 -2.84 118.70 123.28 2c3t s GLU 186 Ca 0.18 1.74 0.00 0.00 0.01 0.00 0.00 54.97 56.90 2c3t s GLU 186 Cb 0.19 -3.30 0.00 0.00 -4.31 0.00 0.00 34.13 26.71 2c3t s GLU 186 CO 0.59 -0.03 0.00 0.41 0.01 0.00 0.00 175.26 176.24 2c3t n GLY 187 N 2.39 1.95 2.54 -1.39 0.00 -1.26 -4.91 105.19 104.50 2c3t n GLY 187 Ca 0.05 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.80 2c3t n GLY 187 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2c3t n ARG 188 N -2.00 1.90 -0.19 1.61 1.74 -1.13 -4.95 116.66 113.64 2c3t n ARG 188 Ca 0.00 -4.32 0.09 0.00 -0.77 0.00 0.00 57.85 52.85 2c3t n ARG 188 Cb 0.00 -2.09 0.38 0.00 -1.02 0.00 0.00 32.46 29.73 2c3t n ARG 188 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 2c3t h PRO 189 N 4.63 0.67 0.00 5.56 0.13 -1.91 -1.73 132.00 139.34 2c3t h PRO 189 Ca 0.17 -0.04 -0.09 0.00 -0.87 0.00 0.00 66.00 65.18 2c3t h PRO 189 Cb 0.74 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 31.70 2c3t h PRO 189 CO 0.72 0.44 -0.41 0.87 -0.23 0.00 0.00 178.00 179.38 2c3t h LYS 190 N 0.69 0.00 0.16 0.86 1.57 -1.92 -0.03 116.57 117.88 2c3t h LYS 190 Ca 0.34 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.83 2c3t h LYS 190 Cb 0.42 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.75 2c3t h LYS 190 CO -0.12 0.41 -1.29 -0.07 -0.57 0.00 0.00 179.45 177.81 2c3t h LEU 191 N 0.00 0.55 -0.84 2.94 3.38 -1.77 -2.23 115.31 117.34 2c3t h LEU 191 Ca -0.00 -0.58 0.00 0.00 0.09 0.00 0.00 57.88 57.39 2c3t h LEU 191 Cb 0.77 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.30 2c3t h LEU 191 CO 0.05 1.45 0.54 0.00 0.09 0.00 0.00 178.44 180.57 2c3t h ALA 192 N 0.47 1.07 -0.42 1.53 0.00 -1.08 0.34 119.26 121.17 2c3t h ALA 192 Ca -0.16 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.55 2c3t h ALA 192 Cb 2.01 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 19.45 2c3t h ALA 192 CO 0.22 0.49 -0.24 1.15 0.00 0.00 0.00 179.25 180.87 2c3t h THR 193 N 1.14 1.28 -0.46 0.00 2.02 -1.04 -3.10 112.91 112.75 2c3t h THR 193 Ca 0.31 -1.40 -0.00 0.00 0.77 0.00 0.00 66.41 66.08 2c3t h THR 193 Cb -0.11 1.27 -0.02 0.00 -1.74 0.00 0.00 68.15 67.55 2c3t h THR 193 CO -0.06 0.47 0.27 -0.25 0.37 0.00 0.00 175.52 176.32 2c3t h TRP 194 N 0.72 0.61 -0.20 3.16 7.01 -0.75 -2.86 115.95 123.65 2c3t h TRP 194 Ca 0.09 -0.00 0.06 0.00 2.11 0.00 0.00 58.89 61.14 2c3t h TRP 194 Cb 0.82 -0.20 -0.07 0.00 -2.10 0.00 0.00 29.16 27.61 2c3t h TRP 194 CO 0.06 0.43 -0.25 -0.09 -2.79 0.00 0.00 178.44 175.80 2c3t h ARG 195 N 0.61 -0.27 -0.42 2.65 2.43 -0.28 -0.34 114.38 118.75 2c3t h ARG 195 Ca 0.16 0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.33 2c3t h ARG 195 Cb 0.00 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 2c3t h ARG 195 CO -0.03 -0.18 0.17 1.96 -1.51 0.00 0.00 179.97 180.38 2c3t h GLN 196 N -0.28 0.60 -0.51 0.20 7.50 -1.51 0.99 115.11 122.09 2c3t h GLN 196 Ca 0.12 -0.08 -0.12 0.00 0.50 0.00 0.00 58.65 59.07 2c3t h GLN 196 Cb 0.47 -0.11 -0.02 0.00 0.05 0.00 0.00 27.48 27.87 2c3t h GLN 196 CO -0.36 0.50 -0.15 0.00 -1.50 0.00 0.00 178.83 177.32 2c3t h ARG 197 N 0.60 1.00 -0.27 1.46 3.08 -1.11 -1.14 114.38 118.01 2c3t h ARG 197 Ca 0.15 -0.39 -0.09 0.00 0.07 0.00 0.00 59.98 59.72 2c3t h ARG 197 Cb 0.13 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 2c3t h ARG 197 CO -0.01 1.07 -0.20 0.28 -1.07 0.00 0.00 179.97 180.03 2c3t h VAL 198 N 0.88 1.31 -0.78 2.04 2.07 -0.59 0.02 116.25 121.19 2c3t h VAL 198 Ca 0.13 -1.34 -0.04 0.00 0.82 0.00 0.00 66.70 66.26 2c3t h VAL 198 Cb 0.71 1.59 -0.03 0.00 -1.52 0.00 0.00 31.29 32.04 2c3t h VAL 198 CO 0.05 0.42 0.31 -0.33 0.02 0.00 0.00 177.57 178.05 2c3t h GLU 199 N 0.33 1.17 -0.44 1.57 5.08 -0.77 -0.85 114.58 120.67 2c3t h GLU 199 Ca 0.05 -0.21 -0.13 0.00 -1.00 0.00 0.00 59.36 58.07 2c3t h GLU 199 Cb 0.74 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 2c3t h GLU 199 CO 0.05 0.95 -0.25 0.00 -1.00 0.00 0.00 179.01 178.76 2c3t h ALA 200 N 1.16 0.72 -0.49 3.43 0.00 -1.12 0.23 119.26 123.20 2c3t h ALA 200 Ca 0.26 -0.40 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 2c3t h ALA 200 Cb 0.22 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2c3t h ALA 200 CO -0.02 0.67 -0.01 0.00 0.00 0.00 0.00 179.25 179.88 2c3t h ALA 201 N 0.92 1.06 0.05 0.00 0.00 -0.65 -2.90 119.26 117.74 2c3t h ALA 201 Ca 0.10 -0.27 -0.28 0.00 0.00 0.00 0.00 54.91 54.45 2c3t h ALA 201 Cb 0.81 -0.20 0.02 0.00 0.00 0.00 0.00 17.79 18.43 2c3t h ALA 201 CO 0.07 0.59 -1.13 0.28 0.00 0.00 0.00 179.25 179.06 2c3t h VAL 202 N 0.76 1.29 0.00 0.00 2.07 -1.11 -3.50 116.25 115.77 2c3t h VAL 202 Ca 0.15 -2.37 0.00 0.00 0.82 0.00 0.00 66.70 65.30 2c3t h VAL 202 Cb 0.48 2.52 0.00 0.00 -1.52 0.00 0.00 31.29 32.77 2c3t h VAL 202 CO 0.02 0.72 0.00 0.61 0.02 0.00 0.00 177.57 178.95 2c3t n GLY 203 N 1.21 1.93 0.35 2.17 0.00 0.78 -4.82 105.19 106.80 2c3t n GLY 203 Ca -0.12 -0.99 0.22 0.00 0.00 0.00 0.00 46.02 45.13 2c3t n GLY 203 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2c3t h GLU 204 N 0.00 0.40 -0.07 1.61 3.07 -1.74 -1.12 114.58 116.72 2c3t h GLU 204 Ca 0.00 -0.02 -0.02 0.00 -0.50 0.00 0.00 59.36 58.82 2c3t h GLU 204 Cb 0.00 -0.09 -0.00 0.00 -0.84 0.00 0.00 28.75 27.82 2c3t h GLU 204 CO 0.00 0.26 -0.01 0.22 -1.40 0.00 0.00 179.01 178.08 2c3t h ASP 205 N 0.41 0.14 -0.36 1.42 3.58 -1.93 -1.83 116.42 117.84 2c3t h ASP 205 Ca 0.70 -0.36 -0.06 0.00 0.42 0.00 0.00 57.03 57.73 2c3t h ASP 205 Cb 1.55 -0.04 -0.02 0.00 1.72 0.00 0.00 39.33 42.54 2c3t h ASP 205 CO -0.54 0.47 0.03 0.25 -2.88 0.00 0.00 179.24 176.57 2c3t h LEU 206 N -0.19 0.67 -0.38 2.28 5.85 -1.73 -0.39 115.31 121.42 2c3t h LEU 206 Ca 0.02 -0.14 -0.05 0.00 0.84 0.00 0.00 57.88 58.55 2c3t h LEU 206 Cb 0.40 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 2c3t h LEU 206 CO 0.01 0.72 0.04 0.15 -0.34 0.00 0.00 178.44 179.02 2c3t h PHE 207 N 0.68 0.69 0.28 1.25 3.57 -1.22 -1.71 116.94 120.48 2c3t h PHE 207 Ca 0.14 -0.11 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 2c3t h PHE 207 Cb 0.37 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.92 2c3t h PHE 207 CO 0.02 0.71 -0.18 0.37 -2.23 0.00 0.00 178.31 176.99 2c3t h GLN 208 N 0.48 -0.44 -0.83 1.11 4.15 -1.11 -2.73 115.11 115.73 2c3t h GLN 208 Ca 0.11 0.03 0.12 0.00 0.77 0.00 0.00 58.65 59.68 2c3t h GLN 208 Cb 0.40 0.10 -0.08 0.00 0.21 0.00 0.00 27.48 28.11 2c3t h GLN 208 CO 0.01 -0.29 0.45 1.49 -1.93 0.00 0.00 178.83 178.56 2c3t h GLU 209 N -0.46 0.69 0.00 1.69 4.81 -0.97 -1.86 114.58 118.49 2c3t h GLU 209 Ca -0.03 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.13 2c3t h GLU 209 Cb 0.38 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.60 2c3t h GLU 209 CO 0.02 0.46 -0.17 0.00 -0.73 0.00 0.00 179.01 178.59 2c3t h ALA 210 N 1.50 0.97 -0.47 2.92 0.00 -1.26 -3.23 119.26 119.69 2c3t h ALA 210 Ca 0.42 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2c3t h ALA 210 Cb 0.48 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2c3t h ALA 210 CO -0.30 0.21 0.00 0.72 0.00 0.00 0.00 179.25 179.88 2c3t n HIS 211 N -3.24 1.26 -0.14 0.00 8.25 -0.73 -4.54 115.22 116.07 2c3t n HIS 211 Ca 0.01 -0.69 -0.05 0.00 -0.26 0.00 0.00 57.72 56.72 2c3t n HIS 211 Cb 0.46 -0.27 0.13 0.00 1.12 0.00 0.00 29.99 31.42 2c3t n HIS 211 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 2c3t h GLU 212 N 3.05 0.87 0.06 -0.41 5.08 -1.48 -2.17 114.58 119.58 2c3t h GLU 212 Ca 0.00 -0.24 -0.00 0.00 -1.00 0.00 0.00 59.36 58.12 2c3t h GLU 212 Cb 1.42 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.57 2c3t h GLU 212 CO 0.23 0.86 -0.03 0.28 -1.00 0.00 0.00 179.01 179.36 2c3t h VAL 213 N 0.81 1.21 -0.15 3.13 2.07 -1.85 -3.20 116.25 118.27 2c3t h VAL 213 Ca 0.16 -0.96 -0.05 0.00 0.82 0.00 0.00 66.70 66.66 2c3t h VAL 213 Cb 0.47 1.84 -0.01 0.00 -1.52 0.00 0.00 31.29 32.06 2c3t h VAL 213 CO 0.02 0.24 -0.14 -0.29 0.02 0.00 0.00 177.57 177.42 2c3t h ILE 214 N -0.52 1.18 0.00 4.57 6.09 -1.76 -2.42 117.51 124.66 2c3t h ILE 214 Ca -0.01 -0.80 0.00 0.00 -1.37 0.00 0.00 64.86 62.68 2c3t h ILE 214 Cb 0.45 1.22 0.00 0.00 0.47 0.00 0.00 36.82 38.97 2c3t h ILE 214 CO 0.01 0.25 0.00 0.18 -3.07 0.00 0.00 178.15 175.52 2c3t n LEU 215 N -4.27 0.00 -0.38 2.19 4.77 -0.82 -2.41 117.00 116.09 2c3t n LEU 215 Ca -0.01 0.28 0.03 0.00 -0.03 0.00 0.00 56.01 56.29 2c3t n LEU 215 Cb 0.27 -0.28 0.09 0.00 -2.33 0.00 0.00 43.42 41.17 2c3t n LEU 215 CO 0.38 -0.04 0.57 0.29 -1.33 0.00 0.00 177.39 177.27 2c3t n LYS 216 N -1.28 2.85 -0.33 3.23 5.02 -0.93 -4.74 118.16 121.98 2c3t n LYS 216 Ca 0.13 -1.81 0.11 0.00 -2.02 0.00 0.00 58.31 54.72 2c3t n LYS 216 Cb 0.21 -1.16 0.32 0.00 -0.02 0.00 0.00 35.03 34.38 2c3t n LYS 216 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2c3t h ALA 217 N 1.21 1.70 0.00 7.82 0.00 -1.31 -0.24 119.26 128.44 2c3t h ALA 217 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2c3t h ALA 217 Cb 0.63 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2c3t h ALA 217 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 179.25 179.61 2c3t n LYS 218 N -4.65 0.52 -0.05 0.00 2.85 -1.26 -2.61 118.16 112.96 2c3t n LYS 218 Ca 0.20 0.00 0.02 0.00 -1.05 0.00 0.00 58.31 57.48 2c3t n LYS 218 Cb 0.49 -1.49 0.05 0.00 -0.65 0.00 0.00 35.03 33.42 2c3t n LYS 218 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2c3t n ASP 219 N -0.99 2.09 -4.73 -5.58 8.00 -0.10 -5.03 116.55 110.20 2c3t n ASP 219 Ca 0.12 -1.78 -0.42 0.00 0.71 0.00 0.00 54.79 53.42 2c3t n ASP 219 Cb 0.06 -0.06 -0.03 0.00 -0.02 0.00 0.00 41.12 41.06 2c3t n ASP 219 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2c3t s PHE 220 N -0.83 3.21 0.18 1.24 0.40 -1.07 -4.98 117.98 116.13 2c3t s PHE 220 Ca 0.08 1.06 -0.31 0.00 -0.60 0.00 0.00 56.93 57.16 2c3t s PHE 220 Cb 0.04 -3.68 -0.09 0.00 0.51 0.00 0.00 43.02 39.81 2c3t s PHE 220 CO 0.06 -2.26 1.37 -2.14 0.70 0.00 0.00 175.22 172.96 2c3t s PRO 221 N 0.39 4.33 0.11 0.24 0.02 -1.26 -4.47 135.00 134.36 2c3t s PRO 221 Ca 0.61 2.12 -0.36 0.00 0.02 0.00 0.00 61.00 63.39 2c3t s PRO 221 Cb -0.38 -3.20 -0.16 0.00 0.02 0.00 0.00 34.50 30.79 2c3t s PRO 221 CO 0.35 -0.37 1.40 -2.30 -0.33 0.00 0.00 177.00 175.75 2c3t n PRO 222 N 3.12 1.42 -2.08 5.54 -0.02 -1.26 -4.83 135.00 136.89 2c3t n PRO 222 Ca 0.09 0.51 -0.41 0.00 -2.02 0.00 0.00 63.50 61.67 2c3t n PRO 222 Cb 0.42 -2.18 -0.02 0.00 -0.02 0.00 0.00 33.50 31.70 2c3t n PRO 222 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2c3t s ALA 223 N 0.56 3.51 0.41 3.55 0.00 -0.20 -4.98 121.76 124.62 2c3t s ALA 223 Ca 0.82 1.29 -0.25 0.00 0.00 0.00 0.00 51.96 53.83 2c3t s ALA 223 Cb -0.88 -3.50 -0.08 0.00 0.00 0.00 0.00 23.12 18.67 2c3t s ALA 223 CO 0.45 -0.68 1.18 0.16 0.00 0.00 0.00 175.76 176.86 2c3t s ASP 224 N -0.38 6.42 0.16 0.00 -4.77 -1.26 -4.68 116.67 112.15 2c3t s ASP 224 Ca 0.50 2.36 0.11 0.00 -3.30 0.00 0.00 52.55 52.22 2c3t s ASP 224 Cb -0.40 -2.61 0.55 0.00 -1.09 0.00 0.00 42.92 39.36 2c3t s ASP 224 CO 0.53 -0.75 0.59 -2.65 0.70 0.00 0.00 175.17 173.59 2c3t n PRO 225 N -0.06 -0.02 0.01 2.11 -0.02 -1.26 -0.82 135.00 134.94 2c3t n PRO 225 Ca 0.05 0.49 -0.13 0.00 -2.02 0.00 0.00 63.50 61.89 2c3t n PRO 225 Cb 0.47 -0.94 -0.10 0.00 -0.02 0.00 0.00 33.50 32.91 2c3t n PRO 225 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 2c3t h THR 226 N 0.00 1.28 -0.41 3.45 1.35 -2.00 -2.31 112.91 114.28 2c3t h THR 226 Ca 0.33 -1.17 -0.09 0.00 -0.55 0.00 0.00 66.41 64.93 2c3t h THR 226 Cb 1.00 2.05 -0.02 0.00 -1.73 0.00 0.00 68.15 69.45 2c3t h THR 226 CO -0.21 0.29 -0.11 0.40 -0.25 0.00 0.00 175.52 175.64 2c3t h ILE 227 N -0.59 1.25 -0.86 6.82 2.04 -1.33 -3.01 117.51 121.82 2c3t h ILE 227 Ca -0.01 -1.13 -0.02 0.00 1.00 0.00 0.00 64.86 64.70 2c3t h ILE 227 Cb 0.53 1.06 -0.04 0.00 -0.74 0.00 0.00 36.82 37.62 2c3t h ILE 227 CO 0.01 0.38 0.45 0.50 0.00 0.00 0.00 178.15 179.49 2c3t h LYS 228 N 0.65 1.22 -0.77 2.37 3.64 -1.47 -1.85 116.57 120.37 2c3t h LYS 228 Ca 0.11 -0.16 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 2c3t h LYS 228 Cb 0.56 -0.23 -0.04 0.00 -0.41 0.00 0.00 32.23 32.11 2c3t h LYS 228 CO 0.03 0.91 0.41 0.37 -2.27 0.00 0.00 179.45 178.91 2c3t h GLN 229 N 1.21 1.08 -0.20 1.90 -0.00 -1.28 -0.99 115.11 116.84 2c3t h GLN 229 Ca 0.30 -0.14 -0.15 0.00 -0.00 0.00 0.00 58.65 58.67 2c3t h GLN 229 Cb 0.07 -0.21 0.00 0.00 0.00 0.00 0.00 27.48 27.34 2c3t h GLN 229 CO -0.04 0.81 -0.44 0.87 0.00 0.00 0.00 178.83 180.03 2c3t h LYS 230 N 1.07 0.65 0.00 1.69 1.57 -1.38 -3.33 116.57 116.85 2c3t h LYS 230 Ca 0.27 -0.43 -0.19 0.00 -1.87 0.00 0.00 60.65 58.43 2c3t h LYS 230 Cb 0.06 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 2c3t h LYS 230 CO -0.04 1.05 -0.86 -0.07 -0.57 0.00 0.00 179.45 178.97 2c3t h LEU 231 N 0.34 0.11 -0.71 2.94 3.38 -1.29 -3.38 115.31 116.71 2c3t h LEU 231 Ca 0.00 -0.09 0.13 0.00 0.09 0.00 0.00 57.88 58.00 2c3t h LEU 231 Cb 1.05 -0.04 -0.13 0.00 0.09 0.00 0.00 40.66 41.63 2c3t h LEU 231 CO 0.10 0.91 -0.30 -0.03 0.09 0.00 0.00 178.44 179.21 2c3t h MET 232 N 0.05 -0.09 0.16 1.13 4.05 -1.28 0.82 114.93 119.77 2c3t h MET 232 Ca -0.03 0.01 -0.00 0.00 -0.28 0.00 0.00 59.70 59.40 2c3t h MET 232 Cb 1.49 0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 32.30 2c3t h MET 232 CO 0.12 -0.06 -0.11 -1.00 0.23 0.00 0.00 176.91 176.09 2c3t h PRO 233 N -0.09 -0.27 -0.74 0.39 0.13 -1.78 -2.75 132.00 126.89 2c3t h PRO 233 Ca 0.29 0.02 0.17 0.00 -0.87 0.00 0.00 66.00 65.60 2c3t h PRO 233 Cb 0.56 0.06 -0.12 0.00 0.13 0.00 0.00 31.00 31.63 2c3t h PRO 233 CO -0.76 -0.18 0.09 0.00 -0.23 0.00 0.00 178.00 176.92 2c3t h ARG 234 N -0.28 0.17 0.63 0.86 2.47 -1.47 -1.66 114.38 115.10 2c3t h ARG 234 Ca -0.01 -0.01 -0.03 0.00 -1.26 0.00 0.00 59.98 58.67 2c3t h ARG 234 Cb 0.24 -0.04 0.01 0.00 -1.65 0.00 0.00 29.97 28.53 2c3t h ARG 234 CO 0.00 0.11 -0.30 0.28 0.56 0.00 0.00 179.97 180.63 2c3t h VAL 235 N 0.18 0.28 -0.71 2.04 2.07 -0.79 -0.67 116.25 118.65 2c3t h VAL 235 Ca 0.41 -0.25 0.06 0.00 0.82 0.00 0.00 66.70 67.75 2c3t h VAL 235 Cb 0.72 0.36 -0.04 0.00 -1.52 0.00 0.00 31.29 30.81 2c3t h VAL 235 CO -0.58 0.03 0.47 -0.07 0.02 0.00 0.00 177.57 177.43 2c3t h LEU 236 N -1.03 0.65 -0.19 2.57 3.38 -1.35 0.13 115.31 119.48 2c3t h LEU 236 Ca -0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.89 2c3t h LEU 236 Cb 0.69 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.30 2c3t h LEU 236 CO 0.14 0.42 0.00 0.00 0.09 0.00 0.00 178.44 179.09 2c3t h ALA 237 N 1.61 1.00 0.12 1.53 0.00 -1.30 -2.46 119.26 119.77 2c3t h ALA 237 Ca 0.30 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.88 2c3t h ALA 237 Cb 0.25 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2c3t h ALA 237 CO -0.10 0.00 -1.79 1.98 0.00 0.00 0.00 179.25 179.34 2c3t h MET 238 N 0.00 0.26 -0.01 0.00 1.85 0.57 -3.35 114.93 114.25 2c3t h MET 238 Ca 0.00 -0.44 0.00 0.00 -0.61 0.00 0.00 59.70 58.65 2c3t h MET 238 Cb 0.78 0.17 0.00 0.00 0.43 0.00 0.00 31.60 32.98 2c3t h MET 238 CO 0.00 1.12 -0.15 0.44 -0.40 0.00 0.00 176.91 177.92 2c3t n ILE 239 N -3.44 0.00 0.00 1.77 -5.35 -0.25 -5.05 119.36 107.04 2c3t n ILE 239 Ca -0.25 -0.17 0.00 0.00 -0.27 0.00 0.00 62.75 62.07 2c3t n ILE 239 Cb 1.05 0.40 0.00 0.00 -1.74 0.00 0.00 39.64 39.35 2c3t n ILE 239 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33