#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iss s ASP 2 N 0.00 4.64 0.07 7.83 1.11 -1.26 -4.02 116.67 125.04 3iss s ASP 2 Ca 0.00 2.40 -0.00 0.00 0.18 0.00 0.00 52.55 55.13 3iss s ASP 2 Cb 0.00 -2.60 -0.04 0.00 1.07 0.00 0.00 42.92 41.35 3iss s ASP 2 CO 0.00 -1.97 -0.03 -0.54 1.18 0.00 0.00 175.17 173.81 3iss s LYS 3 N -3.63 0.68 -0.18 8.23 1.02 -0.62 -3.00 119.74 122.24 3iss s LYS 3 Ca 0.77 -1.26 -0.05 0.00 0.02 0.00 0.00 55.97 55.45 3iss s LYS 3 Cb -0.31 0.13 -0.03 0.00 -0.52 0.00 0.00 37.83 37.10 3iss s LYS 3 CO 0.40 -0.10 -0.01 -0.06 -0.92 0.00 0.00 175.35 174.66 3iss s PHE 4 N -3.87 3.06 -0.23 3.18 0.08 -0.63 -1.57 117.98 118.02 3iss s PHE 4 Ca 0.09 -0.30 -0.09 0.00 0.12 0.00 0.00 56.93 56.74 3iss s PHE 4 Cb 0.07 -2.03 -0.04 0.00 -0.57 0.00 0.00 43.02 40.45 3iss s PHE 4 CO -0.08 -0.09 0.12 0.50 -0.10 0.00 0.00 175.22 175.57 3iss s ARG 5 N 0.63 4.00 -0.04 0.44 3.52 0.24 -0.63 118.95 127.11 3iss s ARG 5 Ca -0.01 -0.31 0.04 0.00 -0.13 0.00 0.00 55.73 55.32 3iss s ARG 5 Cb -0.14 -3.43 -0.00 0.00 -1.56 0.00 0.00 34.95 29.82 3iss s ARG 5 CO 0.02 0.09 -0.17 0.08 -0.81 0.00 0.00 175.30 174.51 3iss s VAL 6 N 0.94 1.45 -0.15 7.11 1.01 0.61 -0.72 120.40 130.65 3iss s VAL 6 Ca 0.06 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.32 3iss s VAL 6 Cb -0.13 -1.24 -0.00 0.00 0.00 0.00 0.00 36.38 35.01 3iss s VAL 6 CO 0.03 0.42 -0.17 -1.10 0.00 0.00 0.00 175.10 174.28 3iss s GLN 7 N 0.00 3.18 0.34 2.72 -1.52 0.04 -0.54 119.66 123.88 3iss s GLN 7 Ca -0.03 -0.77 0.04 0.00 -1.95 0.00 0.00 55.36 52.64 3iss s GLN 7 Cb -0.11 -2.57 -0.02 0.00 -0.22 0.00 0.00 33.01 30.09 3iss s GLN 7 CO 0.02 0.04 0.35 0.20 -0.25 0.00 0.00 175.29 175.65 3iss s GLY 8 N 0.75 2.01 0.56 3.09 0.00 -0.08 -4.13 107.32 109.52 3iss s GLY 8 Ca -0.07 -1.87 -0.15 0.00 0.00 0.00 0.00 44.72 42.63 3iss s GLY 8 CO 0.01 -1.29 1.01 2.56 0.00 0.00 0.00 173.10 175.39 3iss s PRO 9 N -3.28 3.68 -0.12 2.90 0.04 -0.80 -0.76 135.00 136.66 3iss s PRO 9 Ca 0.37 0.99 -0.09 0.00 0.04 0.00 0.00 61.00 62.31 3iss s PRO 9 Cb 0.01 -2.09 0.04 0.00 0.04 0.00 0.00 34.50 32.50 3iss s PRO 9 CO 0.25 -0.50 0.30 -0.08 0.04 0.00 0.00 177.00 177.01 3iss s THR 10 N -2.69 -0.01 -0.29 1.26 -1.32 -0.47 -4.99 115.64 107.13 3iss s THR 10 Ca 0.59 0.05 -0.15 0.00 -1.21 0.00 0.00 61.69 60.97 3iss s THR 10 Cb -0.12 -0.44 -0.03 0.00 -1.51 0.00 0.00 72.50 70.40 3iss s THR 10 CO 0.37 0.02 0.40 -0.75 -2.21 0.00 0.00 174.62 172.45 3iss s LYS 11 N 0.60 3.92 -0.24 7.08 2.20 -1.26 -4.58 119.74 127.46 3iss s LYS 11 Ca -0.04 -0.02 -0.23 0.00 -0.36 0.00 0.00 55.97 55.32 3iss s LYS 11 Cb -0.05 -3.69 -0.01 0.00 -1.51 0.00 0.00 37.83 32.57 3iss s LYS 11 CO -0.04 -0.35 0.76 -0.51 -0.36 0.00 0.00 175.35 174.85 3iss s LEU 12 N 2.11 4.09 0.08 5.43 1.43 -1.26 -4.70 118.68 125.85 3iss s LEU 12 Ca 0.15 0.94 -0.19 0.00 -1.03 0.00 0.00 54.13 54.00 3iss s LEU 12 Cb -0.16 -3.08 0.04 0.00 0.03 0.00 0.00 46.19 43.03 3iss s LEU 12 CO 0.10 -0.45 0.45 0.00 0.23 0.00 0.00 176.35 176.69 3iss s GLN 13 N 2.61 1.02 0.00 1.70 -2.07 -0.42 -3.26 119.66 119.24 3iss s GLN 13 Ca 0.32 -0.44 0.00 0.00 -1.82 0.00 0.00 55.36 53.42 3iss s GLN 13 Cb -0.15 0.46 0.00 0.00 -1.09 0.00 0.00 33.01 32.22 3iss s GLN 13 CO 0.08 -0.38 0.00 0.41 -1.32 0.00 0.00 175.29 174.09 3iss n GLY 14 N 0.20 0.34 3.26 2.60 0.00 -0.70 -4.46 105.19 106.42 3iss n GLY 14 Ca -0.18 -1.65 -0.14 0.00 0.00 0.00 0.00 46.02 44.05 3iss n GLY 14 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3iss s GLU 15 N -1.03 1.25 -0.08 1.61 -1.05 -1.26 -1.66 118.70 116.48 3iss s GLU 15 Ca 0.00 -1.65 -0.10 0.00 -0.15 0.00 0.00 54.97 53.07 3iss s GLU 15 Cb 0.00 -0.11 0.02 0.00 -0.44 0.00 0.00 34.13 33.60 3iss s GLU 15 CO 0.00 -0.27 0.27 0.54 0.95 0.00 0.00 175.26 176.75 3iss s VAL 16 N -3.84 0.02 -0.21 1.83 0.11 -0.45 -4.83 120.40 113.03 3iss s VAL 16 Ca 0.33 -0.13 -0.14 0.00 -2.93 0.00 0.00 61.98 59.11 3iss s VAL 16 Cb 0.07 -0.43 -0.04 0.00 -1.53 0.00 0.00 36.38 34.45 3iss s VAL 16 CO 0.10 -0.07 0.33 -0.89 -3.33 0.00 0.00 175.10 171.24 3iss s THR 17 N -0.20 5.24 0.07 5.04 2.01 -1.26 -0.46 115.64 126.08 3iss s THR 17 Ca -0.03 0.57 -0.30 0.00 0.31 0.00 0.00 61.69 62.23 3iss s THR 17 Cb -0.03 -3.67 -0.05 0.00 0.01 0.00 0.00 72.50 68.77 3iss s THR 17 CO 0.01 0.28 1.05 -0.63 -0.69 0.00 0.00 174.62 174.64 3iss s ILE 18 N 1.20 4.43 0.81 1.82 -1.09 0.45 -4.94 121.20 123.89 3iss s ILE 18 Ca 0.16 1.85 -0.12 0.00 -2.23 0.00 0.00 60.65 60.31 3iss s ILE 18 Cb -0.14 -4.18 0.08 0.00 -1.58 0.00 0.00 42.46 36.63 3iss s ILE 18 CO 0.07 0.20 1.15 -0.44 -1.23 0.00 0.00 174.94 174.69 3iss s SER 19 N 0.62 4.45 0.63 3.58 0.01 -1.26 -4.84 113.70 116.89 3iss s SER 19 Ca 0.52 0.92 -0.17 0.00 1.31 0.00 0.00 55.95 58.53 3iss s SER 19 Cb -0.25 -1.51 -0.01 0.00 0.21 0.00 0.00 66.02 64.46 3iss s SER 19 CO 0.30 -1.96 1.20 -0.83 0.41 0.00 0.00 173.24 172.36 3iss s GLY 20 N -4.37 2.58 -0.14 3.44 0.00 -1.23 -1.72 107.32 105.88 3iss s GLY 20 Ca 0.62 0.92 -0.29 0.00 0.00 0.00 0.00 44.72 45.97 3iss s GLY 20 CO 0.51 1.31 1.79 0.00 0.00 0.00 0.00 173.10 176.71 3iss s ALA 21 N -1.78 3.31 0.27 3.20 0.00 0.11 -4.31 121.76 122.56 3iss s ALA 21 Ca 0.75 0.78 0.00 0.00 0.00 0.00 0.00 51.96 53.50 3iss s ALA 21 Cb -0.29 -3.87 0.60 0.00 0.00 0.00 0.00 23.12 19.56 3iss s ALA 21 CO 0.37 -1.91 1.72 -0.22 0.00 0.00 0.00 175.76 175.73 3iss h LYS 22 N 11.18 0.46 -0.21 0.00 3.64 -1.91 -0.36 116.57 129.38 3iss h LYS 22 Ca -0.39 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 3iss h LYS 22 Cb 1.19 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.91 3iss h LYS 22 CO 0.97 0.30 0.00 0.09 -2.27 0.00 0.00 179.45 178.55 3iss n ASN 23 N -4.99 1.49 -0.11 4.20 3.02 -1.26 -1.92 115.26 115.69 3iss n ASN 23 Ca 0.19 -1.80 -0.18 0.00 -0.03 0.00 0.00 54.58 52.75 3iss n ASN 23 Cb 0.53 -0.14 -0.09 0.00 -0.61 0.00 0.00 39.78 39.47 3iss n ASN 23 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3iss n ALA 24 N 0.24 1.56 -0.19 5.41 0.00 -0.63 -4.43 120.51 122.47 3iss n ALA 24 Ca 0.13 -0.88 -0.02 0.00 0.00 0.00 0.00 53.44 52.67 3iss n ALA 24 Cb 0.27 0.10 0.05 0.00 0.00 0.00 0.00 19.45 19.88 3iss n ALA 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iss h ALA 25 N -0.34 0.34 0.24 0.00 0.00 -1.01 -2.09 119.26 116.40 3iss h ALA 25 Ca -0.51 0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 3iss h ALA 25 Cb 1.62 0.48 -0.00 0.00 0.00 0.00 0.00 17.79 19.89 3iss h ALA 25 CO -0.19 -0.46 -0.13 -0.07 0.00 0.00 0.00 179.25 178.40 3iss h LEU 26 N -0.02 -0.33 -1.15 0.00 4.07 -1.63 0.45 115.31 116.70 3iss h LEU 26 Ca 0.28 0.02 -0.07 0.00 0.08 0.00 0.00 57.88 58.18 3iss h LEU 26 Cb 0.44 0.09 -0.01 0.00 1.08 0.00 0.00 40.66 42.26 3iss h LEU 26 CO -0.61 -0.22 -0.17 -0.65 -1.08 0.00 0.00 178.44 175.71 3iss h PRO 27 N -0.35 0.39 -0.20 1.13 0.11 -1.75 -2.75 132.00 128.58 3iss h PRO 27 Ca -0.03 -0.11 -0.04 0.00 0.11 0.00 0.00 66.00 65.93 3iss h PRO 27 Cb 0.28 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.35 3iss h PRO 27 CO 0.04 0.55 -0.02 0.82 -0.21 0.00 0.00 178.00 179.19 3iss h ILE 28 N 0.36 1.27 -0.96 4.15 2.04 -1.12 -1.14 117.51 122.09 3iss h ILE 28 Ca 0.06 -0.92 0.15 0.00 1.00 0.00 0.00 64.86 65.15 3iss h ILE 28 Cb 0.51 1.48 -0.09 0.00 -0.74 0.00 0.00 36.82 37.97 3iss h ILE 28 CO 0.03 0.28 0.58 -0.07 0.00 0.00 0.00 178.15 178.97 3iss h LEU 29 N 0.10 0.78 -0.46 1.44 4.07 -0.76 -1.16 115.31 119.33 3iss h LEU 29 Ca 0.05 0.08 -0.11 0.00 0.08 0.00 0.00 57.88 57.97 3iss h LEU 29 Cb 0.43 -0.07 -0.02 0.00 1.08 0.00 0.00 40.66 42.08 3iss h LEU 29 CO 0.01 0.35 -0.55 -0.26 -1.08 0.00 0.00 178.44 176.92 3iss h PHE 30 N 0.83 0.00 0.00 1.13 0.04 -1.34 -2.98 116.94 114.62 3iss h PHE 30 Ca 0.52 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 61.22 3iss h PHE 30 Cb 0.67 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.81 3iss h PHE 30 CO -0.02 0.55 -0.30 0.00 -0.60 0.00 0.00 178.31 177.93 3iss h ALA 31 N 1.45 1.01 -0.01 2.45 0.00 -0.05 -2.88 119.26 121.24 3iss h ALA 31 Ca -0.01 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3iss h ALA 31 Cb 1.22 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 3iss h ALA 31 CO 0.07 0.38 0.02 0.00 0.00 0.00 0.00 179.25 179.71 3iss h ALA 32 N 1.70 1.37 0.00 0.00 0.00 -1.14 -0.37 119.26 120.82 3iss h ALA 32 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3iss h ALA 32 Cb 0.83 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.62 3iss h ALA 32 CO 0.04 -0.02 0.06 -0.07 0.00 0.00 0.00 179.25 179.26 3iss h LEU 33 N 0.00 0.00 0.00 0.00 3.38 -1.66 -0.74 115.31 116.30 3iss h LEU 33 Ca 0.00 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.81 3iss h LEU 33 Cb 0.04 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 3iss h LEU 33 CO -0.00 0.00 -0.94 -0.07 0.09 0.00 0.00 178.44 177.52 3iss h LEU 34 N 0.00 0.00 -9.73 1.67 3.38 -1.29 -3.47 115.31 105.87 3iss h LEU 34 Ca 0.00 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.47 3iss h LEU 34 Cb 0.13 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 3iss h LEU 34 CO 0.00 0.71 0.38 0.00 0.09 0.00 0.00 178.44 179.62 3iss s ALA 35 N -2.85 3.34 -1.56 1.53 0.00 -0.28 -4.40 121.76 117.54 3iss s ALA 35 Ca 0.01 0.68 0.18 0.00 0.00 0.00 0.00 51.96 52.82 3iss s ALA 35 Cb 0.09 -3.25 -0.02 0.00 0.00 0.00 0.00 23.12 19.93 3iss s ALA 35 CO 0.79 0.08 0.90 0.39 0.00 0.00 0.00 175.76 177.92 3iss n GLU 36 N 1.69 1.54 -4.55 0.00 1.02 -0.05 -4.47 120.64 115.81 3iss n GLU 36 Ca -0.01 -0.79 -0.26 0.00 -0.02 0.00 0.00 57.16 56.08 3iss n GLU 36 Cb 0.47 -1.33 -0.11 0.00 -0.02 0.00 0.00 31.44 30.45 3iss n GLU 36 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 3iss s GLU 37 N -2.11 1.83 0.84 3.49 0.41 -1.22 -4.65 118.70 117.30 3iss s GLU 37 Ca 0.14 -1.97 -0.11 0.00 -0.41 0.00 0.00 54.97 52.62 3iss s GLU 37 Cb 0.14 -1.62 0.10 0.00 -1.78 0.00 0.00 34.13 30.97 3iss s GLU 37 CO 0.47 0.07 1.10 -2.14 -0.49 0.00 0.00 175.26 174.27 3iss s PRO 38 N -3.65 1.70 -0.12 0.39 0.02 -1.26 -4.08 135.00 128.00 3iss s PRO 38 Ca 0.33 1.12 -0.10 0.00 0.02 0.00 0.00 61.00 62.36 3iss s PRO 38 Cb 0.05 -1.84 0.03 0.00 0.02 0.00 0.00 34.50 32.76 3iss s PRO 38 CO 0.16 -2.02 0.32 0.54 -0.33 0.00 0.00 177.00 175.68 3iss s VAL 39 N -2.86 -0.01 -0.17 3.83 0.11 -0.74 -1.95 120.40 118.61 3iss s VAL 39 Ca 0.63 0.03 0.01 0.00 -2.93 0.00 0.00 61.98 59.71 3iss s VAL 39 Cb -0.18 -0.45 0.02 0.00 -1.53 0.00 0.00 36.38 34.24 3iss s VAL 39 CO 0.57 0.01 -0.18 -0.70 -3.33 0.00 0.00 175.10 171.47 3iss s GLU 40 N 0.40 2.74 -0.25 1.54 2.12 -0.06 -1.36 118.70 123.83 3iss s GLU 40 Ca -0.02 -0.73 -0.08 0.00 0.36 0.00 0.00 54.97 54.50 3iss s GLU 40 Cb -0.04 -2.39 -0.03 0.00 0.26 0.00 0.00 34.13 31.93 3iss s GLU 40 CO -0.02 -0.21 0.09 0.42 -0.54 0.00 0.00 175.26 175.01 3iss s ILE 41 N 1.33 4.50 0.24 -3.70 1.09 0.07 -1.72 121.20 123.01 3iss s ILE 41 Ca 0.04 -0.11 0.00 0.00 -1.10 0.00 0.00 60.65 59.49 3iss s ILE 41 Cb -0.13 -3.11 -0.04 0.00 -1.06 0.00 0.00 42.46 38.12 3iss s ILE 41 CO -0.11 0.32 0.42 -1.10 -0.10 0.00 0.00 174.94 174.37 3iss s GLN 42 N 1.63 3.50 -1.19 2.79 -0.21 0.59 0.35 119.66 127.12 3iss s GLN 42 Ca 0.06 -0.40 -0.07 0.00 0.02 0.00 0.00 55.36 54.97 3iss s GLN 42 Cb -0.15 -2.80 0.01 0.00 1.00 0.00 0.00 33.01 31.06 3iss s GLN 42 CO 0.05 0.34 1.03 -1.71 -2.12 0.00 0.00 175.29 172.89 3iss n ASN 43 N -1.04 -5.43 -4.71 5.90 5.15 -1.08 -1.96 115.26 112.09 3iss n ASN 43 Ca -0.05 -0.49 -0.39 0.00 -0.60 0.00 0.00 54.58 53.05 3iss n ASN 43 Cb 0.55 -4.52 -0.06 0.00 -0.53 0.00 0.00 39.78 35.22 3iss n ASN 43 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3iss s VAL 44 N -3.29 5.13 0.52 3.44 1.01 -0.93 -3.57 120.40 122.72 3iss s VAL 44 Ca 0.46 1.13 -0.21 0.00 0.00 0.00 0.00 61.98 63.36 3iss s VAL 44 Cb -0.20 -3.90 -0.06 0.00 0.00 0.00 0.00 36.38 32.22 3iss s VAL 44 CO 0.65 0.28 1.21 -2.16 0.00 0.00 0.00 175.10 175.08 3iss s PRO 45 N 0.81 3.38 -0.66 2.72 0.04 -1.26 -4.86 135.00 135.16 3iss s PRO 45 Ca 0.30 1.85 -0.22 0.00 0.04 0.00 0.00 61.00 62.98 3iss s PRO 45 Cb -0.16 -2.20 0.08 0.00 0.04 0.00 0.00 34.50 32.26 3iss s PRO 45 CO 0.13 -0.89 0.93 0.15 0.04 0.00 0.00 177.00 177.36 3iss s LYS 46 N -2.99 3.12 0.06 4.56 1.02 -1.26 -4.85 119.74 119.40 3iss s LYS 46 Ca 0.70 -0.97 0.03 0.00 0.02 0.00 0.00 55.97 55.75 3iss s LYS 46 Cb -0.31 -4.27 -0.03 0.00 -0.52 0.00 0.00 37.83 32.70 3iss s LYS 46 CO 0.36 -1.77 -0.09 -0.51 -0.92 0.00 0.00 175.35 172.42 3iss s LEU 47 N 3.76 2.30 0.49 3.17 1.43 -1.26 -4.37 118.68 124.19 3iss s LEU 47 Ca 0.21 -0.63 0.15 0.00 -1.03 0.00 0.00 54.13 52.83 3iss s LEU 47 Cb -0.18 -0.21 1.16 0.00 0.03 0.00 0.00 46.19 47.00 3iss s LEU 47 CO 0.08 -0.22 2.10 0.50 0.23 0.00 0.00 176.35 179.05 3iss h LYS 48 N 4.24 0.05 -0.15 1.70 1.63 -1.58 -1.28 116.57 121.18 3iss h LYS 48 Ca -0.37 -0.00 -0.05 0.00 -0.85 0.00 0.00 60.65 59.38 3iss h LYS 48 Cb 1.20 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.80 3iss h LYS 48 CO 0.44 0.08 -0.13 -0.44 -3.45 0.00 0.00 179.45 175.95 3iss h ASP 49 N 0.05 0.22 -0.16 4.20 5.19 -1.82 -1.14 116.42 122.96 3iss h ASP 49 Ca 0.01 -0.04 -0.10 0.00 -0.62 0.00 0.00 57.03 56.27 3iss h ASP 49 Cb 0.08 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 39.53 3iss h ASP 49 CO 0.00 0.38 -0.31 0.58 -3.12 0.00 0.00 179.24 176.77 3iss h VAL 50 N 0.22 1.35 -0.28 -1.35 2.07 -1.56 -2.49 116.25 114.22 3iss h VAL 50 Ca 0.05 -1.56 0.07 0.00 0.82 0.00 0.00 66.70 66.07 3iss h VAL 50 Cb 0.37 1.96 -0.07 0.00 -1.52 0.00 0.00 31.29 32.03 3iss h VAL 50 CO 0.02 0.47 -0.19 0.44 0.02 0.00 0.00 177.57 178.33 3iss h ASP 51 N 0.12 -0.63 -0.97 0.57 3.32 -1.09 -0.06 116.42 117.68 3iss h ASP 51 Ca 0.01 0.13 0.04 0.00 0.02 0.00 0.00 57.03 57.23 3iss h ASP 51 Cb 0.90 0.32 -0.06 0.00 0.22 0.00 0.00 39.33 40.71 3iss h ASP 51 CO 0.07 -0.23 0.64 0.74 -1.72 0.00 0.00 179.24 178.74 3iss h THR 52 N -0.17 1.16 -0.26 0.35 2.02 -1.21 0.13 112.91 114.93 3iss h THR 52 Ca 0.15 -0.42 -0.01 0.00 0.77 0.00 0.00 66.41 66.90 3iss h THR 52 Cb 0.40 -0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 66.63 3iss h THR 52 CO -0.38 0.22 0.12 0.28 0.37 0.00 0.00 175.52 176.13 3iss h SER 53 N 1.22 0.35 -0.51 4.18 0.02 -0.94 -1.73 113.55 116.14 3iss h SER 53 Ca 0.39 -0.13 -0.00 0.00 -0.84 0.00 0.00 61.79 61.21 3iss h SER 53 Cb 0.02 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.45 3iss h SER 53 CO -0.12 0.38 0.30 0.24 -1.14 0.00 0.00 176.83 176.48 3iss h MET 54 N 0.29 0.69 -0.90 3.45 2.07 -0.08 -0.31 114.93 120.15 3iss h MET 54 Ca 0.09 -0.07 0.08 0.00 -2.07 0.00 0.00 59.70 57.73 3iss h MET 54 Cb 0.13 -0.14 -0.07 0.00 -1.87 0.00 0.00 31.60 29.64 3iss h MET 54 CO -0.01 0.52 0.55 -0.22 1.07 0.00 0.00 176.91 178.82 3iss h LYS 55 N 0.68 0.93 -0.06 1.72 1.63 -0.61 -0.06 116.57 120.81 3iss h LYS 55 Ca 0.18 -0.06 -0.02 0.00 -0.85 0.00 0.00 60.65 59.90 3iss h LYS 55 Cb 0.01 -0.21 -0.00 0.00 -0.60 0.00 0.00 32.23 31.43 3iss h LYS 55 CO -0.03 0.62 -0.05 1.25 -3.45 0.00 0.00 179.45 177.79 3iss h LEU 56 N 0.96 0.15 -0.28 5.20 5.85 -0.75 -1.81 115.31 124.62 3iss h LEU 56 Ca 0.41 -0.46 0.06 0.00 0.84 0.00 0.00 57.88 58.73 3iss h LEU 56 Cb 0.27 -0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.19 3iss h LEU 56 CO -0.21 0.58 -0.15 -0.07 -0.34 0.00 0.00 178.44 178.25 3iss h LEU 57 N -0.28 -0.51 -0.37 2.25 4.07 -0.64 -1.35 115.31 118.48 3iss h LEU 57 Ca 0.01 0.12 0.04 0.00 0.08 0.00 0.00 57.88 58.13 3iss h LEU 57 Cb 0.54 0.27 -0.04 0.00 1.08 0.00 0.00 40.66 42.51 3iss h LEU 57 CO 0.01 -0.19 0.13 -1.28 -1.08 0.00 0.00 178.44 176.03 3iss h SER 58 N -0.12 0.14 -0.48 -0.43 0.87 -1.02 -1.06 113.55 111.45 3iss h SER 58 Ca 0.15 0.04 0.12 0.00 -1.23 0.00 0.00 61.79 60.87 3iss h SER 58 Cb 0.35 0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.31 3iss h SER 58 CO -0.36 0.12 0.33 -0.61 -0.53 0.00 0.00 176.83 175.78 3iss h GLN 59 N 0.28 0.10 0.00 2.24 4.15 -0.60 0.15 115.11 121.44 3iss h GLN 59 Ca 0.17 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.58 3iss h GLN 59 Cb 0.14 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 27.81 3iss h GLN 59 CO -0.17 0.07 0.00 1.28 -1.93 0.00 0.00 178.83 178.08 3iss n LEU 60 N -4.43 0.70 0.00 -2.39 4.77 -0.45 -4.81 117.00 110.40 3iss n LEU 60 Ca 0.08 0.58 0.00 0.00 -0.03 0.00 0.00 56.01 56.64 3iss n LEU 60 Cb 0.47 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 3iss n LEU 60 CO 0.36 -0.23 0.00 0.61 -1.33 0.00 0.00 177.39 176.80 3iss n GLY 61 N 1.09 1.24 3.86 -0.72 0.00 0.52 -2.09 105.19 109.09 3iss n GLY 61 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 3iss n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iss s ALA 62 N -2.00 3.16 -0.31 4.61 0.00 -0.90 -3.81 121.76 122.51 3iss s ALA 62 Ca 0.00 0.01 -0.16 0.00 0.00 0.00 0.00 51.96 51.81 3iss s ALA 62 Cb 0.00 -2.98 -0.02 0.00 0.00 0.00 0.00 23.12 20.12 3iss s ALA 62 CO 0.00 -0.25 0.40 0.15 0.00 0.00 0.00 175.76 176.07 3iss s LYS 63 N -4.20 3.76 -0.02 0.00 3.01 0.46 -4.21 119.74 118.54 3iss s LYS 63 Ca 0.56 -0.17 0.03 0.00 -1.01 0.00 0.00 55.97 55.38 3iss s LYS 63 Cb -0.10 -3.75 -0.00 0.00 -1.01 0.00 0.00 37.83 32.97 3iss s LYS 63 CO 0.35 -0.46 -0.12 0.08 0.51 0.00 0.00 175.35 175.72 3iss s VAL 64 N 2.13 0.96 0.06 3.17 1.01 -1.26 -0.39 120.40 126.09 3iss s VAL 64 Ca 0.15 -0.48 -0.18 0.00 0.00 0.00 0.00 61.98 61.47 3iss s VAL 64 Cb -0.16 -0.83 0.04 0.00 0.00 0.00 0.00 36.38 35.43 3iss s VAL 64 CO 0.11 0.29 0.43 -1.83 0.00 0.00 0.00 175.10 174.10 3iss s GLU 65 N 0.01 0.97 -0.02 2.72 -1.05 -0.84 -5.00 118.70 115.49 3iss s GLU 65 Ca -0.01 -0.42 -0.02 0.00 -0.15 0.00 0.00 54.97 54.37 3iss s GLU 65 Cb -0.08 0.43 0.01 0.00 -0.44 0.00 0.00 34.13 34.05 3iss s GLU 65 CO 0.00 -0.35 0.06 -0.98 0.95 0.00 0.00 175.26 174.95 3iss s ARG 66 N -2.77 0.06 0.00 -4.83 1.70 -1.26 0.04 118.95 111.89 3iss s ARG 66 Ca -0.03 0.09 0.00 0.00 -0.47 0.00 0.00 55.73 55.32 3iss s ARG 66 Cb -0.00 0.02 0.00 0.00 -0.57 0.00 0.00 34.95 34.39 3iss s ARG 66 CO -0.04 -0.02 0.00 -3.47 -1.08 0.00 0.00 175.30 170.69 3iss n ASP 67 N 3.13 0.00 -0.10 -2.89 -0.08 -1.26 -5.00 116.55 110.35 3iss n ASP 67 Ca -0.13 0.00 -0.14 0.00 -1.51 0.00 0.00 54.79 53.01 3iss n ASP 67 Cb 0.59 0.00 -0.14 0.00 2.34 0.00 0.00 41.12 43.91 3iss n ASP 67 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3iss n GLY 68 N 0.00 -0.70 3.83 0.27 0.00 -1.26 -5.06 105.19 102.26 3iss n GLY 68 Ca 0.00 -0.24 -0.22 0.00 0.00 0.00 0.00 46.02 45.56 3iss n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3iss s SER 69 N -6.07 4.85 -0.07 1.61 0.01 -1.26 -2.19 113.70 110.58 3iss s SER 69 Ca -0.21 -0.84 0.03 0.00 1.31 0.00 0.00 55.95 56.24 3iss s SER 69 Cb 0.07 -0.56 0.01 0.00 0.21 0.00 0.00 66.02 65.75 3iss s SER 69 CO 0.73 -0.60 -0.18 -0.69 0.41 0.00 0.00 173.24 172.92 3iss s VAL 70 N -2.50 1.54 -0.17 3.43 1.01 0.15 -4.42 120.40 119.44 3iss s VAL 70 Ca 0.45 -0.73 -0.04 0.00 0.00 0.00 0.00 61.98 61.66 3iss s VAL 70 Cb -0.01 -1.36 -0.03 0.00 0.00 0.00 0.00 36.38 34.99 3iss s VAL 70 CO 0.26 0.44 -0.02 -1.00 0.00 0.00 0.00 175.10 174.79 3iss s HIS 71 N 0.43 3.05 -0.08 5.22 3.76 0.11 -0.75 115.29 127.03 3iss s HIS 71 Ca -0.14 -0.28 0.01 0.00 -0.15 0.00 0.00 55.06 54.50 3iss s HIS 71 Cb -0.16 -1.99 0.02 0.00 1.11 0.00 0.00 32.58 31.55 3iss s HIS 71 CO 0.05 -0.05 -0.09 0.42 -0.85 0.00 0.00 174.74 174.22 3iss s ILE 72 N 0.47 1.01 -0.32 0.60 1.01 -0.46 -1.99 121.20 121.52 3iss s ILE 72 Ca -0.02 -0.35 0.01 0.00 0.00 0.00 0.00 60.65 60.28 3iss s ILE 72 Cb -0.14 -0.97 0.07 0.00 0.01 0.00 0.00 42.46 41.43 3iss s ILE 72 CO 0.02 0.34 0.01 -0.62 0.00 0.00 0.00 174.94 174.70 3iss s ASP 73 N 1.10 4.80 -0.21 3.58 -1.08 0.48 -1.80 116.67 123.54 3iss s ASP 73 Ca -0.07 -1.62 0.15 0.00 -0.52 0.00 0.00 52.55 50.49 3iss s ASP 73 Cb -0.14 -1.67 0.64 0.00 -1.46 0.00 0.00 42.92 40.29 3iss s ASP 73 CO -0.01 -0.31 1.55 0.00 0.52 0.00 0.00 175.17 176.92 3iss n ALA 74 N 4.48 3.40 -0.11 3.66 0.00 -1.26 -0.40 120.51 130.28 3iss n ALA 74 Ca -0.08 -2.21 -0.11 0.00 0.00 0.00 0.00 53.44 51.04 3iss n ALA 74 Cb 0.42 -0.88 -0.03 0.00 0.00 0.00 0.00 19.45 18.97 3iss n ALA 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iss h ARG 75 N 2.55 0.62 -0.85 0.00 3.08 -1.82 -3.26 114.38 114.70 3iss h ARG 75 Ca 0.02 -0.23 -0.12 0.00 0.07 0.00 0.00 59.98 59.72 3iss h ARG 75 Cb 1.67 -0.04 -0.07 0.00 0.08 0.00 0.00 29.97 31.62 3iss h ARG 75 CO 0.34 0.79 0.15 -0.25 -1.07 0.00 0.00 179.97 179.93 3iss n ASP 76 N -4.46 3.62 -4.71 7.04 8.00 -1.26 -4.94 116.55 119.85 3iss n ASP 76 Ca -0.02 -2.69 -0.42 0.00 0.71 0.00 0.00 54.79 52.37 3iss n ASP 76 Cb 0.32 -0.64 -0.03 0.00 -0.02 0.00 0.00 41.12 40.75 3iss n ASP 76 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3iss s VAL 77 N -1.97 2.54 0.00 2.53 1.01 -1.23 -4.72 120.40 118.56 3iss s VAL 77 Ca 0.32 0.28 0.00 0.00 0.00 0.00 0.00 61.98 62.58 3iss s VAL 77 Cb 0.25 -3.18 0.00 0.00 0.00 0.00 0.00 36.38 33.46 3iss s VAL 77 CO 0.08 0.01 0.00 -0.46 0.00 0.00 0.00 175.10 174.73 3iss n ASN 78 N 4.60 0.00 -4.36 3.32 6.94 -0.89 -5.00 115.26 119.86 3iss n ASN 78 Ca 0.15 -0.67 -0.30 0.00 -0.02 0.00 0.00 54.58 53.75 3iss n ASN 78 Cb 0.38 0.00 -0.14 0.00 -2.36 0.00 0.00 39.78 37.66 3iss n ASN 78 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 3iss s VAL 79 N 0.00 2.16 -0.14 3.53 0.11 -0.89 -5.06 120.40 120.11 3iss s VAL 79 Ca 0.00 -1.50 0.15 0.00 -2.93 0.00 0.00 61.98 57.70 3iss s VAL 79 Cb 0.00 -1.87 0.39 0.00 -1.53 0.00 0.00 36.38 33.37 3iss s VAL 79 CO 0.00 0.27 1.19 0.49 -3.33 0.00 0.00 175.10 173.72 3iss n PHE 80 N 1.50 0.00 -4.41 1.54 3.72 -1.26 -4.69 117.46 113.86 3iss n PHE 80 Ca -0.17 -1.11 -0.25 0.00 -0.05 0.00 0.00 57.45 55.86 3iss n PHE 80 Cb 0.52 -0.20 -0.17 0.00 -0.94 0.00 0.00 39.48 38.69 3iss n PHE 80 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3iss s ALA 82 N 0.93 3.39 0.52 0.00 0.00 0.05 -4.90 121.76 121.75 3iss s ALA 82 Ca -0.10 -1.64 -0.19 0.00 0.00 0.00 0.00 51.96 50.03 3iss s ALA 82 Cb -0.15 -3.30 -0.07 0.00 0.00 0.00 0.00 23.12 19.61 3iss s ALA 82 CO 0.01 -1.91 1.06 -1.25 0.00 0.00 0.00 175.76 173.66 3iss s PRO 83 N 2.56 3.62 0.29 0.00 0.04 -1.26 -2.34 135.00 137.92 3iss s PRO 83 Ca 0.15 1.36 -0.02 0.00 0.04 0.00 0.00 61.00 62.54 3iss s PRO 83 Cb -0.18 -2.07 0.64 0.00 0.04 0.00 0.00 34.50 32.93 3iss s PRO 83 CO 0.13 -0.58 1.57 -0.92 0.04 0.00 0.00 177.00 177.24 3iss h TYR 84 N 1.25 -0.18 -0.43 0.56 3.20 -1.97 -0.87 116.97 118.52 3iss h TYR 84 Ca -0.49 0.07 0.12 0.00 3.14 0.00 0.00 58.73 61.57 3iss h TYR 84 Cb 1.23 0.24 -0.02 0.00 1.54 0.00 0.00 36.73 39.71 3iss h TYR 84 CO 0.56 -0.41 0.31 -0.44 -1.64 0.00 0.00 178.16 176.54 3iss h ASP 85 N 0.01 0.04 0.00 -2.11 3.32 -2.00 -1.29 116.42 114.39 3iss h ASP 85 Ca 0.55 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.48 3iss h ASP 85 Cb 1.05 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.57 3iss h ASP 85 CO -0.93 0.02 -0.74 -0.07 -1.72 0.00 0.00 179.24 175.81 3iss h LEU 86 N 0.04 0.00 -0.98 1.55 4.07 -1.54 -3.36 115.31 115.09 3iss h LEU 86 Ca 0.21 -0.45 0.18 0.00 0.08 0.00 0.00 57.88 57.90 3iss h LEU 86 Cb 0.77 0.00 -0.10 0.00 1.08 0.00 0.00 40.66 42.41 3iss h LEU 86 CO -0.01 1.15 0.59 0.58 -1.08 0.00 0.00 178.44 179.67 3iss h VAL 87 N -1.00 0.72 0.00 1.22 2.07 -1.32 0.19 116.25 118.13 3iss h VAL 87 Ca -0.17 -0.26 -0.02 0.00 0.82 0.00 0.00 66.70 67.07 3iss h VAL 87 Cb 0.96 -0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.62 3iss h VAL 87 CO -0.11 0.14 -0.08 0.07 0.02 0.00 0.00 177.57 177.62 3iss h LYS 88 N 0.76 0.00 0.00 1.57 2.10 -1.41 -1.15 116.57 118.44 3iss h LYS 88 Ca 0.56 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.21 3iss h LYS 88 Cb 0.84 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.17 3iss h LYS 88 CO -0.37 0.08 -0.64 0.25 -2.00 0.00 0.00 179.45 176.77 3iss n THR 89 N -3.89 0.33 -3.15 0.07 -2.24 0.64 -4.78 114.28 101.26 3iss n THR 89 Ca -0.02 -0.26 0.04 0.00 -2.27 0.00 0.00 64.05 61.54 3iss n THR 89 Cb 0.17 -0.10 -0.00 0.00 -2.10 0.00 0.00 70.33 68.30 3iss n THR 89 CO 0.00 0.00 0.00 -0.32 -0.57 0.00 0.00 175.07 174.18 3iss s MET 90 N -3.16 0.53 0.02 -0.78 1.75 -0.44 -5.03 119.30 112.19 3iss s MET 90 Ca 0.06 0.63 0.11 0.00 -1.25 0.00 0.00 55.69 55.25 3iss s MET 90 Cb 0.14 0.31 0.46 0.00 2.84 0.00 0.00 34.83 38.58 3iss s MET 90 CO 0.72 -0.89 1.34 2.89 -0.65 0.00 0.00 175.02 178.44 3iss n ARG 91 N 5.41 0.01 0.19 4.11 1.85 -1.18 -1.64 116.66 125.40 3iss n ARG 91 Ca 0.04 0.34 0.14 0.00 -1.00 0.00 0.00 57.85 57.36 3iss n ARG 91 Cb 0.53 -1.52 0.55 0.00 -1.05 0.00 0.00 32.46 30.97 3iss n ARG 91 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3iss h ALA 92 N 2.34 1.00 -1.12 2.89 0.00 -1.96 -2.74 119.26 119.67 3iss h ALA 92 Ca 0.00 0.00 0.32 0.00 0.00 0.00 0.00 54.91 55.23 3iss h ALA 92 Cb 0.18 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 3iss h ALA 92 CO 0.00 0.00 0.91 0.77 0.00 0.00 0.00 179.25 180.93 3iss h SER 93 N 0.00 0.00 -0.16 0.00 0.02 -1.65 0.63 113.55 112.39 3iss h SER 93 Ca 0.00 0.00 0.05 0.00 -0.84 0.00 0.00 61.79 61.00 3iss h SER 93 Cb 0.47 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.00 3iss h SER 93 CO 0.00 0.00 0.47 -0.29 -1.14 0.00 0.00 176.83 175.87 3iss h ILE 94 N 0.00 0.10 0.00 3.27 6.09 -1.74 -0.37 117.51 124.87 3iss h ILE 94 Ca 0.53 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 64.02 3iss h ILE 94 Cb 2.35 0.57 0.00 0.00 0.47 0.00 0.00 36.82 40.20 3iss h ILE 94 CO -0.01 0.00 0.00 0.79 -3.07 0.00 0.00 178.15 175.86 3iss n TRP 95 N -3.09 0.40 0.10 2.19 8.01 0.21 -2.12 117.44 123.14 3iss n TRP 95 Ca 0.02 0.17 -0.04 0.00 -1.31 0.00 0.00 57.50 56.34 3iss n TRP 95 Cb 0.56 -0.77 0.15 0.00 -2.01 0.00 0.00 31.31 29.25 3iss n TRP 95 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 3iss h ALA 96 N 2.30 0.93 -0.23 6.99 0.00 -1.29 -3.33 119.26 124.64 3iss h ALA 96 Ca 0.00 -0.52 0.04 0.00 0.00 0.00 0.00 54.91 54.43 3iss h ALA 96 Cb 0.24 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 17.87 3iss h ALA 96 CO 0.00 0.71 -0.52 1.25 0.00 0.00 0.00 179.25 180.69 3iss h LEU 97 N 0.13 -1.67 -0.04 0.00 5.85 -1.64 -2.53 115.31 115.41 3iss h LEU 97 Ca -0.00 0.21 0.02 0.00 0.84 0.00 0.00 57.88 58.95 3iss h LEU 97 Cb 1.05 0.67 -0.05 0.00 0.37 0.00 0.00 40.66 42.69 3iss h LEU 97 CO 0.08 -0.45 -0.51 1.23 -0.34 0.00 0.00 178.44 178.46 3iss h GLY 98 N -0.50 -1.14 0.90 3.75 0.00 -1.78 -1.94 103.07 102.37 3iss h GLY 98 Ca 0.06 0.67 0.02 0.00 0.00 0.00 0.00 47.33 48.08 3iss h GLY 98 CO -0.48 -0.24 0.47 -2.55 0.00 0.00 0.00 176.54 173.73 3iss h PRO 99 N -0.61 0.89 -0.28 4.80 0.11 -1.73 -1.09 132.00 134.10 3iss h PRO 99 Ca 0.02 -0.05 0.04 0.00 0.11 0.00 0.00 66.00 66.11 3iss h PRO 99 Cb 0.67 -0.20 -0.04 0.00 0.11 0.00 0.00 31.00 31.54 3iss h PRO 99 CO -0.36 0.59 0.04 -0.07 -0.21 0.00 0.00 178.00 177.99 3iss h LEU 100 N 0.92 -0.02 -0.65 2.35 3.38 -1.11 -0.30 115.31 119.87 3iss h LEU 100 Ca 0.29 0.05 -0.13 0.00 0.09 0.00 0.00 57.88 58.18 3iss h LEU 100 Cb -0.02 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3iss h LEU 100 CO -0.10 0.02 -0.32 0.58 0.09 0.00 0.00 178.44 178.71 3iss h VAL 101 N 0.14 1.28 -0.48 1.22 2.07 -0.96 -0.71 116.25 118.82 3iss h VAL 101 Ca 0.13 -1.46 -0.02 0.00 0.82 0.00 0.00 66.70 66.16 3iss h VAL 101 Cb 0.14 1.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 3iss h VAL 101 CO -0.18 0.48 0.21 0.00 0.02 0.00 0.00 177.57 178.09 3iss h ALA 102 N 1.05 0.61 0.10 1.67 0.00 -0.59 -2.18 119.26 119.93 3iss h ALA 102 Ca 0.06 -0.13 -0.32 0.00 0.00 0.00 0.00 54.91 54.53 3iss h ALA 102 Cb 0.84 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 3iss h ALA 102 CO 0.07 0.20 -1.69 -0.09 0.00 0.00 0.00 179.25 177.74 3iss h ARG 103 N 0.62 0.22 -0.01 0.00 2.43 -1.01 -3.41 114.38 113.23 3iss h ARG 103 Ca 0.16 -0.38 0.00 0.00 -0.81 0.00 0.00 59.98 58.95 3iss h ARG 103 Cb 0.15 0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 3iss h ARG 103 CO -0.02 1.18 -0.17 1.19 -1.51 0.00 0.00 179.97 180.64 3iss n PHE 104 N -3.79 0.00 -0.91 2.20 3.72 -0.28 -4.99 117.46 113.41 3iss n PHE 104 Ca -0.30 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.10 3iss n PHE 104 Cb 0.94 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.48 3iss n PHE 104 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3iss n GLY 105 N 0.95 0.53 3.26 1.37 0.00 -0.82 -4.99 105.19 105.50 3iss n GLY 105 Ca 0.07 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.99 3iss n GLY 105 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3iss s GLN 106 N -0.47 0.97 -0.29 1.61 -2.07 -1.25 -1.39 119.66 116.75 3iss s GLN 106 Ca 0.00 -0.89 -0.21 0.00 -1.82 0.00 0.00 55.36 52.44 3iss s GLN 106 Cb 0.00 0.39 0.16 0.00 -1.09 0.00 0.00 33.01 32.48 3iss s GLN 106 CO 0.00 -0.34 1.18 0.20 -1.32 0.00 0.00 175.29 175.01 3iss s GLY 107 N -2.85 0.18 -0.20 2.60 0.00 -0.66 -3.14 107.32 103.25 3iss s GLY 107 Ca 0.05 3.25 0.00 0.00 0.00 0.00 0.00 44.72 48.03 3iss s GLY 107 CO -0.10 2.22 -0.07 1.20 0.00 0.00 0.00 173.10 176.35 3iss s GLN 108 N 0.58 1.69 -0.04 2.90 1.11 0.02 -0.25 119.66 125.67 3iss s GLN 108 Ca -0.01 -0.77 0.06 0.00 0.01 0.00 0.00 55.36 54.65 3iss s GLN 108 Cb -0.04 -2.33 -0.01 0.00 -1.01 0.00 0.00 33.01 29.62 3iss s GLN 108 CO -0.12 -0.48 -0.23 0.08 0.01 0.00 0.00 175.29 174.55 3iss s VAL 109 N 1.48 1.84 0.21 1.09 1.01 -0.58 -0.77 120.40 124.68 3iss s VAL 109 Ca -0.02 -0.96 -0.31 0.00 0.00 0.00 0.00 61.98 60.69 3iss s VAL 109 Cb -0.17 -1.55 -0.11 0.00 0.00 0.00 0.00 36.38 34.56 3iss s VAL 109 CO -0.07 0.52 1.57 -0.55 0.00 0.00 0.00 175.10 176.57 3iss s SER 110 N -0.24 6.52 -0.17 3.32 0.15 -0.99 -0.50 113.70 121.79 3iss s SER 110 Ca 0.00 2.73 -0.29 0.00 0.70 0.00 0.00 55.95 59.09 3iss s SER 110 Cb -0.12 -2.61 -0.03 0.00 -1.71 0.00 0.00 66.02 61.56 3iss s SER 110 CO 0.02 -0.84 1.51 -0.22 1.20 0.00 0.00 173.24 174.91 3iss s LEU 111 N 0.55 4.08 0.32 3.45 1.98 -0.32 -4.83 118.68 123.91 3iss s LEU 111 Ca 0.67 1.76 -0.29 0.00 -2.89 0.00 0.00 54.13 53.39 3iss s LEU 111 Cb -0.45 -3.53 -0.11 0.00 0.66 0.00 0.00 46.19 42.75 3iss s LEU 111 CO 0.37 -1.03 1.56 -2.65 -1.89 0.00 0.00 176.35 172.70 3iss n PRO 112 N 7.24 2.70 0.00 0.98 -0.02 -1.26 -5.01 135.00 139.63 3iss n PRO 112 Ca 0.17 0.95 0.00 0.00 -2.02 0.00 0.00 63.50 62.60 3iss n PRO 112 Cb 0.45 -2.72 0.00 0.00 -0.02 0.00 0.00 33.50 31.21 3iss n PRO 112 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3iss n GLY 113 N 1.57 1.20 3.79 -1.23 0.00 -1.26 -5.01 105.19 104.25 3iss n GLY 113 Ca 0.06 -1.58 -0.35 0.00 0.00 0.00 0.00 46.02 44.14 3iss n GLY 113 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3iss s GLY 114 N 0.00 2.61 -0.01 -0.02 0.00 -1.26 -4.91 107.32 103.73 3iss s GLY 114 Ca 0.00 0.59 0.06 0.00 0.00 0.00 0.00 44.72 45.37 3iss s GLY 114 CO 0.00 0.96 -0.19 0.00 0.00 0.00 0.00 173.10 173.87 3iss h THR 116 N 4.25 0.00 -0.00 0.00 1.35 -1.98 -3.15 112.91 113.38 3iss h THR 116 Ca -0.46 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 3iss h THR 116 Cb 1.14 0.78 0.00 0.00 -1.73 0.00 0.00 68.15 68.34 3iss h THR 116 CO 0.48 0.00 -0.44 2.30 -0.25 0.00 0.00 175.52 177.61 3iss n ILE 117 N -2.74 0.00 -0.31 6.82 -5.35 -1.26 -4.89 119.36 111.62 3iss n ILE 117 Ca -0.02 -0.02 0.00 0.00 -0.27 0.00 0.00 62.75 62.43 3iss n ILE 117 Cb 0.06 0.26 0.00 0.00 -1.74 0.00 0.00 39.64 38.23 3iss n ILE 117 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3iss n GLY 118 N 1.47 0.67 3.72 3.28 0.00 -1.19 -3.44 105.19 109.69 3iss n GLY 118 Ca 0.07 -1.85 -0.42 0.00 0.00 0.00 0.00 46.02 43.82 3iss n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iss s ALA 119 N -1.04 3.73 -0.37 4.61 0.00 -1.26 -4.33 121.76 123.10 3iss s ALA 119 Ca 0.00 1.30 0.14 0.00 0.00 0.00 0.00 51.96 53.40 3iss s ALA 119 Cb 0.00 -3.60 0.40 0.00 0.00 0.00 0.00 23.12 19.92 3iss s ALA 119 CO 0.00 -0.73 0.85 0.54 0.00 0.00 0.00 175.76 176.42 3iss n ARG 120 N 3.97 1.30 -0.91 0.00 1.74 -1.26 -5.05 116.66 116.44 3iss n ARG 120 Ca 0.13 -3.48 -0.31 0.00 -0.77 0.00 0.00 57.85 53.43 3iss n ARG 120 Cb 0.40 -1.58 0.14 0.00 -1.02 0.00 0.00 32.46 30.40 3iss n ARG 120 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3iss s PRO 121 N -2.83 1.42 -0.16 5.56 0.04 -1.26 -4.98 135.00 132.79 3iss s PRO 121 Ca 0.36 1.37 0.14 0.00 0.04 0.00 0.00 61.00 62.91 3iss s PRO 121 Cb 0.39 -1.79 0.39 0.00 0.04 0.00 0.00 34.50 33.54 3iss s PRO 121 CO -0.04 -2.29 1.19 1.33 0.04 0.00 0.00 177.00 177.23 3iss n VAL 122 N -3.99 1.71 -0.35 -0.36 0.24 -1.26 -4.81 118.33 109.51 3iss n VAL 122 Ca 0.10 -2.62 0.14 0.00 -2.04 0.00 0.00 64.34 59.93 3iss n VAL 122 Cb 0.53 0.00 0.34 0.00 -1.47 0.00 0.00 33.84 33.23 3iss n VAL 122 CO 0.00 0.00 0.00 -2.24 -2.14 0.00 0.00 176.83 172.45 3iss h ASP 123 N 0.83 0.75 0.00 -1.34 2.03 -2.00 -1.95 116.42 114.74 3iss h ASP 123 Ca -0.04 0.11 -0.09 0.00 -0.73 0.00 0.00 57.03 56.27 3iss h ASP 123 Cb 1.17 -0.02 -0.01 0.00 -0.83 0.00 0.00 39.33 39.63 3iss h ASP 123 CO 0.02 0.23 -0.27 -0.07 -1.03 0.00 0.00 179.24 178.12 3iss h LEU 124 N 0.71 0.42 0.24 0.15 3.38 -1.99 -0.30 115.31 117.93 3iss h LEU 124 Ca 0.60 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.41 3iss h LEU 124 Cb 0.98 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.62 3iss h LEU 124 CO -0.41 0.69 -0.12 0.45 0.09 0.00 0.00 178.44 179.14 3iss h HIS 125 N 0.37 -0.30 0.36 1.13 3.86 -1.70 -1.45 115.15 117.42 3iss h HIS 125 Ca 0.05 -0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.25 3iss h HIS 125 Cb 0.67 0.10 -0.01 0.00 1.06 0.00 0.00 27.41 29.23 3iss h HIS 125 CO 0.02 -0.08 -0.25 0.82 0.86 0.00 0.00 177.93 179.30 3iss h ILE 126 N -0.47 0.48 -0.91 2.45 2.04 -1.38 -2.21 117.51 117.51 3iss h ILE 126 Ca -0.03 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.92 3iss h ILE 126 Cb 0.36 0.48 -0.07 0.00 -0.74 0.00 0.00 36.82 36.85 3iss h ILE 126 CO 0.05 0.00 0.55 -1.28 0.00 0.00 0.00 178.15 177.48 3iss h SER 127 N -0.59 0.83 -0.75 1.72 0.87 -1.07 -0.86 113.55 113.70 3iss h SER 127 Ca -0.03 0.04 0.01 0.00 -1.23 0.00 0.00 61.79 60.57 3iss h SER 127 Cb 0.50 -0.13 -0.04 0.00 -0.44 0.00 0.00 62.40 62.29 3iss h SER 127 CO 0.02 0.49 0.49 1.23 -0.53 0.00 0.00 176.83 178.53 3iss h GLY 128 N 0.94 1.06 1.35 5.77 0.00 -1.02 -1.03 103.07 110.14 3iss h GLY 128 Ca 0.43 -0.40 -0.16 0.00 0.00 0.00 0.00 47.33 47.19 3iss h GLY 128 CO -0.23 0.39 -0.51 1.41 0.00 0.00 0.00 176.54 177.61 3iss h LEU 129 N 1.01 0.76 -1.12 3.11 3.38 -0.66 -2.36 115.31 119.44 3iss h LEU 129 Ca 0.27 -0.39 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 3iss h LEU 129 Cb -0.11 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.40 3iss h LEU 129 CO -0.06 1.13 0.19 -0.33 0.09 0.00 0.00 178.44 179.46 3iss h GLU 130 N 0.54 0.81 0.00 1.13 5.08 -0.93 -1.41 114.58 119.79 3iss h GLU 130 Ca 0.02 -0.14 -0.05 0.00 -1.00 0.00 0.00 59.36 58.20 3iss h GLU 130 Cb 1.07 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.17 3iss h GLU 130 CO 0.10 0.69 -0.23 0.37 -1.00 0.00 0.00 179.01 178.94 3iss h GLN 131 N 0.79 0.00 -0.24 2.33 4.15 -0.91 -1.09 115.11 120.13 3iss h GLN 131 Ca 0.18 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.60 3iss h GLN 131 Cb 0.21 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.90 3iss h GLN 131 CO -0.01 0.23 0.00 1.28 -1.93 0.00 0.00 178.83 178.40 3iss n LEU 132 N -3.54 1.47 0.00 -2.39 4.77 -0.80 -4.77 117.00 111.74 3iss n LEU 132 Ca -0.01 -0.71 0.00 0.00 -0.03 0.00 0.00 56.01 55.27 3iss n LEU 132 Cb 0.39 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 3iss n LEU 132 CO 0.33 0.35 0.00 0.61 -1.33 0.00 0.00 177.39 177.36 3iss n GLY 133 N 0.98 0.43 3.80 -0.72 0.00 -0.41 -1.57 105.19 107.69 3iss n GLY 133 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 3iss n GLY 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iss s ALA 134 N -2.00 2.83 -0.16 4.61 0.00 -0.60 -4.85 121.76 121.60 3iss s ALA 134 Ca 0.00 0.59 -0.06 0.00 0.00 0.00 0.00 51.96 52.49 3iss s ALA 134 Cb 0.00 -3.26 -0.04 0.00 0.00 0.00 0.00 23.12 19.82 3iss s ALA 134 CO 0.00 -0.44 0.06 0.99 0.00 0.00 0.00 175.76 176.37 3iss s THR 135 N -2.04 4.80 -0.07 0.00 2.01 0.21 -4.28 115.64 116.28 3iss s THR 135 Ca 0.67 -0.04 0.02 0.00 0.31 0.00 0.00 61.69 62.65 3iss s THR 135 Cb -0.17 -3.13 0.02 0.00 0.01 0.00 0.00 72.50 69.23 3iss s THR 135 CO 0.23 0.51 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.95 3iss s ILE 136 N -0.07 0.98 0.08 1.82 1.01 -1.26 -1.30 121.20 122.47 3iss s ILE 136 Ca 0.06 -0.37 0.04 0.00 0.00 0.00 0.00 60.65 60.38 3iss s ILE 136 Cb -0.12 -0.93 -0.03 0.00 0.01 0.00 0.00 42.46 41.39 3iss s ILE 136 CO 0.01 0.33 -0.11 -1.59 0.00 0.00 0.00 174.94 173.58 3iss s LYS 137 N 0.86 0.78 -0.28 2.79 -2.85 -0.45 -4.97 119.74 115.62 3iss s LYS 137 Ca -0.11 -1.02 -0.02 0.00 -1.00 0.00 0.00 55.97 53.82 3iss s LYS 137 Cb -0.15 -0.59 0.04 0.00 -2.06 0.00 0.00 37.83 35.07 3iss s LYS 137 CO 0.01 0.11 -0.01 -1.17 0.10 0.00 0.00 175.35 174.39 3iss s LEU 138 N -2.06 3.65 -0.00 2.77 2.96 -1.26 -0.25 118.68 124.49 3iss s LEU 138 Ca 0.00 -1.08 0.02 0.00 -0.22 0.00 0.00 54.13 52.85 3iss s LEU 138 Cb -0.06 -1.71 -0.01 0.00 0.50 0.00 0.00 46.19 44.91 3iss s LEU 138 CO 0.01 -0.21 -0.06 -1.83 -1.32 0.00 0.00 176.35 172.94 3iss s GLU 139 N 1.30 0.45 -2.04 1.98 -1.05 -0.64 -4.82 118.70 113.89 3iss s GLU 139 Ca -0.03 -0.23 0.00 0.00 -0.15 0.00 0.00 54.97 54.56 3iss s GLU 139 Cb -0.18 -0.43 0.00 0.00 -0.44 0.00 0.00 34.13 33.08 3iss s GLU 139 CO -0.02 0.11 0.00 0.39 0.95 0.00 0.00 175.26 176.70 3iss n GLU 140 N 2.85 -1.51 -0.84 -4.83 1.02 -1.26 -1.02 120.64 115.05 3iss n GLU 140 Ca -0.13 1.14 0.00 0.00 -0.02 0.00 0.00 57.16 58.15 3iss n GLU 140 Cb 0.58 -5.58 0.00 0.00 -0.02 0.00 0.00 31.44 26.41 3iss n GLU 140 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3iss n GLY 141 N -0.52 0.76 3.71 0.62 0.00 -1.26 -5.05 105.19 103.45 3iss n GLY 141 Ca -0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.46 3iss n GLY 141 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3iss s TYR 142 N -2.88 3.36 -0.37 1.61 2.02 -0.19 -1.18 117.35 119.72 3iss s TYR 142 Ca 0.00 0.25 -0.27 0.00 -0.37 0.00 0.00 57.07 56.68 3iss s TYR 142 Cb 0.00 -2.08 0.02 0.00 -0.40 0.00 0.00 41.96 39.50 3iss s TYR 142 CO 0.00 0.31 0.99 0.54 -1.57 0.00 0.00 175.55 175.82 3iss s VAL 143 N 0.09 4.53 -0.30 0.71 0.11 0.34 -1.61 120.40 124.26 3iss s VAL 143 Ca 0.07 1.34 -0.08 0.00 -2.93 0.00 0.00 61.98 60.39 3iss s VAL 143 Cb -0.12 -4.38 0.00 0.00 -1.53 0.00 0.00 36.38 30.36 3iss s VAL 143 CO -0.00 -0.57 0.10 -0.54 -3.33 0.00 0.00 175.10 170.76 3iss s LYS 144 N 3.62 3.16 0.08 1.54 1.02 0.66 -1.53 119.74 128.29 3iss s LYS 144 Ca 0.41 -0.81 0.06 0.00 0.02 0.00 0.00 55.97 55.65 3iss s LYS 144 Cb -0.12 -3.42 -0.04 0.00 -0.52 0.00 0.00 37.83 33.74 3iss s LYS 144 CO 0.19 -0.43 -0.09 0.00 -0.92 0.00 0.00 175.35 174.10 3iss s ALA 145 N 1.53 2.98 -0.03 5.17 0.00 0.65 -1.34 121.76 130.72 3iss s ALA 145 Ca 0.03 -1.19 -0.26 0.00 0.00 0.00 0.00 51.96 50.55 3iss s ALA 145 Cb -0.17 -0.96 0.06 0.00 0.00 0.00 0.00 23.12 22.04 3iss s ALA 145 CO 0.03 0.64 0.57 -1.54 0.00 0.00 0.00 175.76 175.46 3iss s SER 146 N -2.03 -0.51 -0.10 0.00 1.04 -0.42 -1.66 113.70 110.03 3iss s SER 146 Ca 0.21 0.50 -0.07 0.00 0.48 0.00 0.00 55.95 57.06 3iss s SER 146 Cb -0.11 0.47 0.03 0.00 0.10 0.00 0.00 66.02 66.52 3iss s SER 146 CO 0.13 -0.58 0.25 0.54 0.98 0.00 0.00 173.24 174.56 3iss s VAL 147 N -1.34 -0.02 -1.00 5.02 0.11 -0.49 -0.62 120.40 122.06 3iss s VAL 147 Ca -0.11 0.07 -0.23 0.00 -2.93 0.00 0.00 61.98 58.77 3iss s VAL 147 Cb -0.01 -0.37 0.01 0.00 -1.53 0.00 0.00 36.38 34.47 3iss s VAL 147 CO 0.07 0.03 1.68 -0.62 -3.33 0.00 0.00 175.10 172.93 3iss s ASP 148 N 0.65 5.94 0.09 3.54 2.15 -1.26 -4.69 116.67 123.09 3iss s ASP 148 Ca -0.04 -1.24 0.00 0.00 0.43 0.00 0.00 52.55 51.70 3iss s ASP 148 Cb -0.06 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 40.00 3iss s ASP 148 CO -0.04 -2.03 0.00 0.61 -0.17 0.00 0.00 175.17 173.54 3iss n GLY 149 N 6.72 0.95 3.60 2.66 0.00 -1.26 -4.98 105.19 112.88 3iss n GLY 149 Ca 0.37 -1.30 -0.28 0.00 0.00 0.00 0.00 46.02 44.82 3iss n GLY 149 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3iss s ARG 150 N 0.00 1.95 0.77 1.61 1.70 -1.26 -4.66 118.95 119.06 3iss s ARG 150 Ca 0.00 -2.17 -0.11 0.00 -0.47 0.00 0.00 55.73 52.98 3iss s ARG 150 Cb 0.00 -1.22 0.05 0.00 -0.57 0.00 0.00 34.95 33.21 3iss s ARG 150 CO 0.00 -0.26 1.09 -0.51 -1.08 0.00 0.00 175.30 174.53 3iss s LEU 151 N -3.69 2.76 -0.09 -1.89 1.43 -1.26 -4.86 118.68 111.08 3iss s LEU 151 Ca 0.24 1.40 0.04 0.00 -1.03 0.00 0.00 54.13 54.78 3iss s LEU 151 Cb 0.06 -4.09 -0.00 0.00 0.03 0.00 0.00 46.19 42.18 3iss s LEU 151 CO 0.12 -1.80 -0.24 -0.54 0.23 0.00 0.00 176.35 174.12 3iss s LYS 152 N -5.13 2.96 0.44 1.70 1.02 -0.61 -0.22 119.74 119.91 3iss s LYS 152 Ca 0.60 -0.88 -0.23 0.00 0.02 0.00 0.00 55.97 55.48 3iss s LYS 152 Cb -0.14 -2.28 -0.11 0.00 -0.52 0.00 0.00 37.83 34.78 3iss s LYS 152 CO 0.54 0.22 0.77 0.41 -0.92 0.00 0.00 175.35 176.38 3iss n GLY 153 N 3.41 -0.86 3.44 -3.33 0.00 0.04 -4.58 105.19 103.31 3iss n GLY 153 Ca -0.19 0.06 -0.09 0.00 0.00 0.00 0.00 46.02 45.80 3iss n GLY 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iss s ALA 154 N -1.40 -0.42 -0.44 4.61 0.00 -1.11 -4.76 121.76 118.24 3iss s ALA 154 Ca 0.65 -0.60 -0.17 0.00 0.00 0.00 0.00 51.96 51.83 3iss s ALA 154 Cb -0.57 0.87 0.03 0.00 0.00 0.00 0.00 23.12 23.46 3iss s ALA 154 CO 0.56 -0.73 0.45 -1.58 0.00 0.00 0.00 175.76 174.47 3iss s HIS 155 N -3.93 3.16 -0.20 0.00 2.46 -1.26 -0.69 115.29 114.83 3iss s HIS 155 Ca 0.14 -0.47 -0.01 0.00 0.47 0.00 0.00 55.06 55.19 3iss s HIS 155 Cb 0.01 -3.01 0.01 0.00 -0.13 0.00 0.00 32.58 29.46 3iss s HIS 155 CO -0.00 -0.76 -0.14 0.42 -2.47 0.00 0.00 174.74 171.79 3iss s ILE 156 N 2.13 2.57 -0.32 0.89 1.01 0.66 -4.95 121.20 123.20 3iss s ILE 156 Ca 0.11 -0.80 -0.10 0.00 0.00 0.00 0.00 60.65 59.86 3iss s ILE 156 Cb -0.18 -2.14 -0.01 0.00 0.01 0.00 0.00 42.46 40.14 3iss s ILE 156 CO 0.12 0.47 0.16 -0.69 0.00 0.00 0.00 174.94 175.00 3iss s VAL 157 N 1.36 4.61 0.02 2.92 1.01 -1.26 -0.35 120.40 128.70 3iss s VAL 157 Ca 0.05 -0.45 -0.30 0.00 0.00 0.00 0.00 61.98 61.28 3iss s VAL 157 Cb -0.14 -3.37 -0.04 0.00 0.00 0.00 0.00 36.38 32.84 3iss s VAL 157 CO -0.09 0.05 1.04 -0.04 0.00 0.00 0.00 175.10 176.05 3iss s MET 158 N 1.61 4.52 0.16 2.72 1.00 -0.01 -4.94 119.30 124.36 3iss s MET 158 Ca 0.04 1.51 -0.15 0.00 0.00 0.00 0.00 55.69 57.09 3iss s MET 158 Cb -0.17 -3.43 0.03 0.00 0.00 0.00 0.00 34.83 31.26 3iss s MET 158 CO 0.06 -0.11 1.81 0.22 0.00 0.00 0.00 175.02 177.00 3iss h ASP 159 N 6.80 0.54 -4.76 3.03 1.82 -1.93 -3.44 116.42 118.48 3iss h ASP 159 Ca -0.41 -0.04 -0.36 0.00 -0.39 0.00 0.00 57.03 55.83 3iss h ASP 159 Cb 1.22 -0.14 -0.14 0.00 0.68 0.00 0.00 39.33 40.95 3iss h ASP 159 CO 0.77 0.42 -0.59 -1.59 -1.61 0.00 0.00 179.24 176.63 3iss s LYS 160 N -6.06 1.45 -0.17 0.28 -2.85 -1.26 -5.13 119.74 106.00 3iss s LYS 160 Ca -0.13 -1.80 -0.29 0.00 -1.00 0.00 0.00 55.97 52.75 3iss s LYS 160 Cb 0.11 -0.12 -0.00 0.00 -2.06 0.00 0.00 37.83 35.76 3iss s LYS 160 CO 0.74 -0.37 1.01 0.08 0.10 0.00 0.00 175.35 176.90 3iss s VAL 161 N -3.76 4.74 -0.09 1.79 1.01 -1.26 -4.98 120.40 117.84 3iss s VAL 161 Ca 0.37 2.00 -0.03 0.00 0.00 0.00 0.00 61.98 64.32 3iss s VAL 161 Cb 0.07 -4.30 0.05 0.00 0.00 0.00 0.00 36.38 32.20 3iss s VAL 161 CO 0.15 -0.09 0.15 -0.55 0.00 0.00 0.00 175.10 174.76 3iss s SER 162 N 1.16 0.95 0.11 3.32 0.15 -1.26 -5.01 113.70 113.11 3iss s SER 162 Ca 0.45 0.20 -0.21 0.00 0.70 0.00 0.00 55.95 57.09 3iss s SER 162 Cb -0.16 0.20 -0.09 0.00 -1.71 0.00 0.00 66.02 64.26 3iss s SER 162 CO 0.12 -0.26 1.75 0.58 1.20 0.00 0.00 173.24 176.63 3iss h VAL 163 N 6.37 1.05 -0.08 4.45 2.07 -1.95 -2.09 116.25 126.07 3iss h VAL 163 Ca -0.13 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 67.28 3iss h VAL 163 Cb 1.12 0.85 -0.00 0.00 -1.52 0.00 0.00 31.29 31.74 3iss h VAL 163 CO 0.16 0.05 0.05 1.23 0.02 0.00 0.00 177.57 179.08 3iss h GLY 164 N 0.19 0.11 1.30 2.17 0.00 -2.00 -2.06 103.07 102.79 3iss h GLY 164 Ca 0.05 -0.05 -0.15 0.00 0.00 0.00 0.00 47.33 47.19 3iss h GLY 164 CO -0.01 0.05 -0.40 0.00 0.00 0.00 0.00 176.54 176.18 3iss h ALA 165 N 0.98 0.70 -0.48 3.60 0.00 -1.93 -1.19 119.26 120.94 3iss h ALA 165 Ca 0.03 -0.45 0.05 0.00 0.00 0.00 0.00 54.91 54.54 3iss h ALA 165 Cb 0.04 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.66 3iss h ALA 165 CO -0.01 0.67 0.20 1.15 0.00 0.00 0.00 179.25 181.26 3iss h THR 166 N 0.63 0.89 -0.43 0.00 2.02 -1.30 -0.67 112.91 114.05 3iss h THR 166 Ca 0.05 -0.14 -0.03 0.00 0.77 0.00 0.00 66.41 67.06 3iss h THR 166 Cb 0.95 0.45 -0.02 0.00 -1.74 0.00 0.00 68.15 67.79 3iss h THR 166 CO 0.09 0.07 0.14 0.58 0.37 0.00 0.00 175.52 176.77 3iss h VAL 167 N 0.40 1.22 -0.20 3.16 2.07 -1.20 -0.85 116.25 120.86 3iss h VAL 167 Ca 0.22 -0.72 0.04 0.00 0.82 0.00 0.00 66.70 67.07 3iss h VAL 167 Cb 0.19 0.87 -0.05 0.00 -1.52 0.00 0.00 31.29 30.78 3iss h VAL 167 CO -0.20 0.26 -0.09 0.74 0.02 0.00 0.00 177.57 178.30 3iss h THR 168 N 0.56 0.70 -0.19 2.57 2.02 -0.70 -1.04 112.91 116.82 3iss h THR 168 Ca 0.14 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.26 3iss h THR 168 Cb 0.26 0.70 -0.00 0.00 -1.74 0.00 0.00 68.15 67.36 3iss h THR 168 CO -0.01 0.00 -0.11 0.40 0.37 0.00 0.00 175.52 176.17 3iss h ILE 169 N -0.07 1.31 -0.58 3.11 2.04 -1.10 -2.34 117.51 119.89 3iss h ILE 169 Ca 0.11 -1.19 0.06 0.00 1.00 0.00 0.00 64.86 64.84 3iss h ILE 169 Cb 0.23 1.68 -0.05 0.00 -0.74 0.00 0.00 36.82 37.93 3iss h ILE 169 CO -0.24 0.36 0.28 -0.03 0.00 0.00 0.00 178.15 178.52 3iss h MET 170 N 0.10 0.52 -0.43 2.37 4.05 -0.98 -0.95 114.93 119.61 3iss h MET 170 Ca 0.04 -0.03 -0.08 0.00 -0.28 0.00 0.00 59.70 59.35 3iss h MET 170 Cb 0.61 -0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 31.28 3iss h MET 170 CO 0.03 0.34 -0.06 0.00 0.23 0.00 0.00 176.91 177.45 3iss h ALA 172 N 0.87 1.15 0.00 0.00 0.00 -0.91 -2.82 119.26 117.55 3iss h ALA 172 Ca 0.11 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 3iss h ALA 172 Cb 0.57 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3iss h ALA 172 CO 0.03 0.56 -0.27 0.00 0.00 0.00 0.00 179.25 179.57 3iss h ALA 173 N 1.29 1.30 0.00 0.00 0.00 -1.09 -3.02 119.26 117.74 3iss h ALA 173 Ca 0.16 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3iss h ALA 173 Cb 0.39 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3iss h ALA 173 CO 0.01 0.34 0.14 1.79 0.00 0.00 0.00 179.25 181.52 3iss h THR 174 N 0.00 0.00 0.00 0.00 1.35 -1.47 -0.33 112.91 112.47 3iss h THR 174 Ca -0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.85 3iss h THR 174 Cb 0.57 0.61 -0.01 0.00 -1.73 0.00 0.00 68.15 67.59 3iss h THR 174 CO 0.03 0.00 -0.13 0.18 -0.25 0.00 0.00 175.52 175.36 3iss n LEU 175 N -2.55 2.19 -4.98 3.87 4.77 -1.14 -1.88 117.00 117.27 3iss n LEU 175 Ca -0.02 -3.02 -0.21 0.00 -0.03 0.00 0.00 56.01 52.74 3iss n LEU 175 Cb 0.18 -0.40 0.02 0.00 -2.33 0.00 0.00 43.42 40.89 3iss n LEU 175 CO 0.12 0.77 0.28 0.00 -1.33 0.00 0.00 177.39 177.23 3iss s ALA 176 N -2.65 4.00 -0.43 -1.18 0.00 -0.13 -4.52 121.76 116.84 3iss s ALA 176 Ca 0.30 -1.33 -0.26 0.00 0.00 0.00 0.00 51.96 50.67 3iss s ALA 176 Cb 0.27 -1.98 0.02 0.00 0.00 0.00 0.00 23.12 21.43 3iss s ALA 176 CO 0.01 -0.52 0.97 -1.21 0.00 0.00 0.00 175.76 175.01 3iss s GLU 177 N -4.59 3.69 0.74 0.00 2.02 0.70 -4.04 118.70 117.23 3iss s GLU 177 Ca 0.54 0.41 0.00 0.00 0.02 0.00 0.00 54.97 55.94 3iss s GLU 177 Cb -0.10 -3.87 0.00 0.00 0.10 0.00 0.00 34.13 30.26 3iss s GLU 177 CO 0.37 -1.15 0.00 0.41 0.02 0.00 0.00 175.26 174.91 3iss n GLY 178 N 4.69 -0.91 3.57 -1.39 0.00 -1.26 -0.78 105.19 109.10 3iss n GLY 178 Ca 0.08 -1.70 -0.34 0.00 0.00 0.00 0.00 46.02 44.05 3iss n GLY 178 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3iss s THR 179 N 0.00 4.05 -0.05 2.61 2.01 -1.26 -0.81 115.64 122.19 3iss s THR 179 Ca 0.00 -0.32 0.02 0.00 0.31 0.00 0.00 61.69 61.70 3iss s THR 179 Cb 0.00 -2.75 -0.03 0.00 0.01 0.00 0.00 72.50 69.73 3iss s THR 179 CO 0.00 0.53 -0.09 -0.89 -0.69 0.00 0.00 174.62 173.48 3iss s THR 180 N -0.09 3.53 -0.09 -0.82 2.01 0.31 -2.74 115.64 117.74 3iss s THR 180 Ca 0.03 -0.58 0.02 0.00 0.31 0.00 0.00 61.69 61.47 3iss s THR 180 Cb -0.13 -2.44 0.01 0.00 0.01 0.00 0.00 72.50 69.95 3iss s THR 180 CO 0.02 0.57 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.75 3iss s ILE 181 N -0.82 1.40 -0.33 1.82 1.09 0.13 -1.39 121.20 123.11 3iss s ILE 181 Ca 0.13 -0.60 -0.09 0.00 -1.10 0.00 0.00 60.65 58.98 3iss s ILE 181 Cb -0.11 -1.27 0.01 0.00 -1.06 0.00 0.00 42.46 40.03 3iss s ILE 181 CO 0.02 0.42 0.15 -0.63 -0.10 0.00 0.00 174.94 174.80 3iss s ILE 182 N 0.84 4.41 -0.10 2.92 1.01 0.04 -0.24 121.20 130.08 3iss s ILE 182 Ca -0.10 -0.66 -0.09 0.00 0.00 0.00 0.00 60.65 59.80 3iss s ILE 182 Cb -0.15 -3.33 -0.04 0.00 0.01 0.00 0.00 42.46 38.94 3iss s ILE 182 CO 0.01 -0.04 0.20 -1.61 0.00 0.00 0.00 174.94 173.50 3iss s GLU 183 N 1.56 3.60 -0.84 2.79 0.41 0.52 -1.73 118.70 125.01 3iss s GLU 183 Ca 0.03 -0.02 -0.02 0.00 -0.41 0.00 0.00 54.97 54.56 3iss s GLU 183 Cb -0.18 -3.21 0.00 0.00 -1.78 0.00 0.00 34.13 28.96 3iss s GLU 183 CO 0.05 0.72 0.20 -1.71 -0.49 0.00 0.00 175.26 174.04 3iss n ASN 184 N 2.07 -3.76 -4.72 -0.19 4.05 -0.19 -0.83 115.26 111.69 3iss n ASN 184 Ca -0.18 -0.10 -0.31 0.00 0.45 0.00 0.00 54.58 54.43 3iss n ASN 184 Cb 0.54 -2.77 0.12 0.00 1.23 0.00 0.00 39.78 38.90 3iss n ASN 184 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3iss s ALA 185 N -2.75 1.89 0.35 5.20 0.00 -0.20 -4.58 121.76 121.68 3iss s ALA 185 Ca 0.10 0.50 -0.25 0.00 0.00 0.00 0.00 51.96 52.31 3iss s ALA 185 Cb -0.04 -3.38 -0.10 0.00 0.00 0.00 0.00 23.12 19.60 3iss s ALA 185 CO 0.13 -2.21 0.99 0.00 0.00 0.00 0.00 175.76 174.66 3iss s ALA 186 N -2.66 3.17 -1.56 0.00 0.00 -1.26 -4.56 121.76 114.89 3iss s ALA 186 Ca 0.65 0.60 0.15 0.00 0.00 0.00 0.00 51.96 53.36 3iss s ALA 186 Cb -0.21 -3.22 0.31 0.00 0.00 0.00 0.00 23.12 20.00 3iss s ALA 186 CO 0.55 0.02 1.21 0.54 0.00 0.00 0.00 175.76 178.09 3iss n ARG 187 N 0.32 2.16 -1.54 0.00 3.00 -1.26 -4.65 116.66 114.68 3iss n ARG 187 Ca 0.03 -1.94 -0.49 0.00 -0.01 0.00 0.00 57.85 55.44 3iss n ARG 187 Cb 0.50 -1.35 -0.04 0.00 0.00 0.00 0.00 32.46 31.57 3iss n ARG 187 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 3iss n GLU 188 N 0.90 0.90 -0.32 5.56 4.71 -1.26 -4.57 120.64 126.56 3iss n GLU 188 Ca 0.13 0.32 0.24 0.00 -0.01 0.00 0.00 57.16 57.85 3iss n GLU 188 Cb 0.45 -1.72 0.54 0.00 -1.01 0.00 0.00 31.44 29.70 3iss n GLU 188 CO 0.00 0.00 0.00 -1.35 0.09 0.00 0.00 177.13 175.87 3iss h PRO 189 N 2.78 0.33 0.00 3.49 0.11 -1.96 0.21 132.00 136.95 3iss h PRO 189 Ca -0.41 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.64 3iss h PRO 189 Cb 1.37 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.40 3iss h PRO 189 CO 0.66 0.22 -0.17 0.93 -0.21 0.00 0.00 178.00 179.42 3iss h GLU 190 N 0.34 0.00 -0.03 1.05 3.07 -1.89 -1.44 114.58 115.69 3iss h GLU 190 Ca 0.59 0.00 -0.21 0.00 -0.50 0.00 0.00 59.36 59.25 3iss h GLU 190 Cb 1.61 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.52 3iss h GLU 190 CO -0.26 0.17 -0.85 0.82 -1.40 0.00 0.00 179.01 177.49 3iss h ILE 191 N 0.00 1.41 -0.04 3.13 2.04 -0.91 -1.71 117.51 121.42 3iss h ILE 191 Ca -0.00 -2.36 -0.01 0.00 1.00 0.00 0.00 64.86 63.50 3iss h ILE 191 Cb 0.47 2.31 -0.00 0.00 -0.74 0.00 0.00 36.82 38.85 3iss h ILE 191 CO 0.02 0.70 0.01 0.58 0.00 0.00 0.00 178.15 179.46 3iss h VAL 192 N 0.23 1.21 -0.58 1.67 2.07 -1.14 -1.14 116.25 118.56 3iss h VAL 192 Ca -0.06 -0.63 0.06 0.00 0.82 0.00 0.00 66.70 66.90 3iss h VAL 192 Cb 1.46 1.55 -0.05 0.00 -1.52 0.00 0.00 31.29 32.72 3iss h VAL 192 CO 0.14 0.17 0.29 -0.78 0.02 0.00 0.00 177.57 177.42 3iss h ASP 193 N -0.17 0.40 -0.47 0.57 3.58 -1.29 0.63 116.42 119.67 3iss h ASP 193 Ca 0.01 0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.49 3iss h ASP 193 Cb 0.27 -0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.26 3iss h ASP 193 CO 0.00 0.26 0.25 0.74 -2.88 0.00 0.00 179.24 177.61 3iss h THR 194 N 0.54 1.17 -0.44 2.25 2.02 -1.17 -0.59 112.91 116.69 3iss h THR 194 Ca 0.27 -0.45 0.01 0.00 0.77 0.00 0.00 66.41 67.00 3iss h THR 194 Cb 0.21 0.61 -0.02 0.00 -1.74 0.00 0.00 68.15 67.21 3iss h THR 194 CO -0.20 0.18 0.29 0.00 0.37 0.00 0.00 175.52 176.17 3iss h ALA 195 N 1.09 0.56 -0.33 6.16 0.00 -0.62 -0.86 119.26 125.26 3iss h ALA 195 Ca 0.16 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 3iss h ALA 195 Cb 0.07 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3iss h ALA 195 CO -0.02 0.00 0.04 -0.91 0.00 0.00 0.00 179.25 178.36 3iss h ASN 196 N 0.59 0.45 -0.10 0.00 2.35 -0.47 -0.39 115.58 118.02 3iss h ASN 196 Ca 0.16 -0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 55.84 3iss h ASN 196 Cb -0.06 -0.12 -0.00 0.00 0.05 0.00 0.00 38.32 38.19 3iss h ASN 196 CO -0.04 0.49 0.03 0.15 -1.65 0.00 0.00 177.43 176.41 3iss h PHE 197 N 0.48 0.17 -0.75 1.19 3.57 -0.83 -2.35 116.94 118.42 3iss h PHE 197 Ca 0.11 -0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.66 3iss h PHE 197 Cb 0.25 -0.05 -0.06 0.00 2.79 0.00 0.00 35.95 38.88 3iss h PHE 197 CO 0.01 0.31 0.43 -0.07 -2.23 0.00 0.00 178.31 176.76 3iss h LEU 198 N -0.03 0.64 -0.89 0.59 3.38 -0.67 -2.12 115.31 116.21 3iss h LEU 198 Ca 0.03 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 3iss h LEU 198 Cb 0.23 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 3iss h LEU 198 CO -0.00 0.40 0.44 0.40 0.09 0.00 0.00 178.44 179.77 3iss h ILE 199 N 0.77 1.26 -0.62 1.22 2.04 -1.06 -1.12 117.51 120.00 3iss h ILE 199 Ca 0.34 -0.69 0.12 0.00 1.00 0.00 0.00 64.86 65.63 3iss h ILE 199 Cb 0.22 0.13 -0.04 0.00 -0.74 0.00 0.00 36.82 36.39 3iss h ILE 199 CO -0.20 0.30 0.42 0.74 0.00 0.00 0.00 178.15 179.42 3iss h THR 200 N 1.22 0.84 -0.00 -0.27 2.02 -0.82 0.21 112.91 116.11 3iss h THR 200 Ca 0.30 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 67.37 3iss h THR 200 Cb 0.08 0.48 0.00 0.00 -1.74 0.00 0.00 68.15 66.97 3iss h THR 200 CO -0.04 0.06 -0.06 0.18 0.37 0.00 0.00 175.52 176.02 3iss n LEU 201 N -4.46 0.29 0.00 2.58 4.77 -0.64 -4.87 117.00 114.67 3iss n LEU 201 Ca 0.11 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 3iss n LEU 201 Cb 0.46 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 3iss n LEU 201 CO 0.34 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 3iss n GLY 202 N 1.26 1.28 3.88 -0.72 0.00 0.74 -1.30 105.19 110.33 3iss n GLY 202 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 3iss n GLY 202 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iss s ALA 203 N -2.00 3.06 -0.39 4.61 0.00 -0.52 -4.93 121.76 121.60 3iss s ALA 203 Ca 0.00 -0.18 0.01 0.00 0.00 0.00 0.00 51.96 51.79 3iss s ALA 203 Cb 0.00 -3.04 0.11 0.00 0.00 0.00 0.00 23.12 20.19 3iss s ALA 203 CO 0.00 -0.80 0.13 0.15 0.00 0.00 0.00 175.76 175.24 3iss s LYS 204 N -5.21 1.73 -0.01 0.00 1.02 -1.26 -4.33 119.74 111.68 3iss s LYS 204 Ca 0.56 -1.94 0.04 0.00 0.02 0.00 0.00 55.97 54.65 3iss s LYS 204 Cb -0.11 -3.36 -0.01 0.00 -0.52 0.00 0.00 37.83 33.83 3iss s LYS 204 CO 0.53 -1.00 -0.13 0.42 -0.92 0.00 0.00 175.35 174.24 3iss s ILE 205 N 0.86 1.05 0.01 2.17 1.01 -1.26 -1.18 121.20 123.86 3iss s ILE 205 Ca 0.11 -0.57 -0.03 0.00 0.00 0.00 0.00 60.65 60.16 3iss s ILE 205 Cb -0.21 -0.88 -0.01 0.00 0.01 0.00 0.00 42.46 41.37 3iss s ILE 205 CO -0.06 0.30 0.05 -0.94 0.00 0.00 0.00 174.94 174.29 3iss s SER 206 N -0.30 0.14 0.00 3.58 1.04 -0.07 -4.90 113.70 113.20 3iss s SER 206 Ca 0.05 -0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.12 3iss s SER 206 Cb -0.05 0.15 0.00 0.00 0.10 0.00 0.00 66.02 66.22 3iss s SER 206 CO -0.00 -0.33 0.00 0.61 0.98 0.00 0.00 173.24 174.49 3iss n GLY 207 N 1.53 0.52 3.68 7.32 0.00 -1.26 -0.06 105.19 116.91 3iss n GLY 207 Ca -0.23 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.34 3iss n GLY 207 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iss n GLN 208 N -2.00 2.08 -0.28 1.61 0.00 -1.26 -0.91 117.38 116.61 3iss n GLN 208 Ca 0.00 0.74 0.00 0.00 0.00 0.00 0.00 57.00 57.74 3iss n GLN 208 Cb 0.00 -2.40 0.00 0.00 0.00 0.00 0.00 30.24 27.84 3iss n GLN 208 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3iss n GLY 209 N 2.15 0.90 3.74 2.61 0.00 -1.26 -4.94 105.19 108.39 3iss n GLY 209 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 3iss n GLY 209 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3iss s THR 210 N -2.69 1.67 -1.13 2.61 -4.23 -0.09 -4.81 115.64 106.96 3iss s THR 210 Ca 0.00 -1.88 0.23 0.00 -1.18 0.00 0.00 61.69 58.86 3iss s THR 210 Cb 0.00 -2.55 0.25 0.00 1.34 0.00 0.00 72.50 71.54 3iss s THR 210 CO 0.00 0.00 1.73 -0.90 -0.54 0.00 0.00 174.62 174.91 3iss n ASP 211 N -1.24 0.00 -3.96 3.99 5.68 -1.26 -4.62 116.55 115.13 3iss n ASP 211 Ca -0.10 0.34 -0.30 0.00 -0.50 0.00 0.00 54.79 54.23 3iss n ASP 211 Cb 0.66 -0.44 -0.16 0.00 -1.14 0.00 0.00 41.12 40.05 3iss n ASP 211 CO 0.00 0.00 0.00 -0.60 -1.33 0.00 0.00 177.20 175.27 3iss s ARG 212 N -2.87 1.83 -0.15 0.11 3.52 -1.26 -1.02 118.95 119.11 3iss s ARG 212 Ca 0.14 -0.76 -0.02 0.00 -0.13 0.00 0.00 55.73 54.96 3iss s ARG 212 Cb 0.15 -2.31 -0.02 0.00 -1.56 0.00 0.00 34.95 31.21 3iss s ARG 212 CO 0.39 -0.44 -0.07 0.42 -0.81 0.00 0.00 175.30 174.79 3iss s ILE 213 N 1.47 3.57 -0.20 4.11 1.01 -0.71 -4.34 121.20 126.10 3iss s ILE 213 Ca -0.01 -0.47 -0.03 0.00 0.00 0.00 0.00 60.65 60.14 3iss s ILE 213 Cb -0.16 -2.55 -0.01 0.00 0.01 0.00 0.00 42.46 39.75 3iss s ILE 213 CO -0.08 0.50 -0.06 -0.69 0.00 0.00 0.00 174.94 174.61 3iss s VAL 214 N 0.42 3.35 -0.16 2.92 1.01 0.91 -0.78 120.40 128.07 3iss s VAL 214 Ca -0.06 -0.51 0.00 0.00 0.00 0.00 0.00 61.98 61.41 3iss s VAL 214 Cb -0.15 -2.50 0.00 0.00 0.00 0.00 0.00 36.38 33.73 3iss s VAL 214 CO 0.04 0.45 -0.16 -0.63 0.00 0.00 0.00 175.10 174.79 3iss s ILE 215 N 1.21 2.58 -0.36 2.22 1.09 -0.48 -0.89 121.20 126.57 3iss s ILE 215 Ca 0.03 -0.80 -0.12 0.00 -1.10 0.00 0.00 60.65 58.66 3iss s ILE 215 Cb -0.14 -2.08 0.01 0.00 -1.06 0.00 0.00 42.46 39.18 3iss s ILE 215 CO -0.02 0.52 0.22 -0.70 -0.10 0.00 0.00 174.94 174.86 3iss s GLU 216 N 0.85 3.12 0.36 2.79 2.56 -0.33 -0.53 118.70 127.52 3iss s GLU 216 Ca -0.05 -0.89 -0.28 0.00 0.00 0.00 0.00 54.97 53.75 3iss s GLU 216 Cb -0.15 -3.76 -0.11 0.00 2.00 0.00 0.00 34.13 32.11 3iss s GLU 216 CO -0.01 -0.59 1.50 0.41 -0.56 0.00 0.00 175.26 176.01 3iss n GLY 217 N 5.05 1.19 3.61 -1.50 0.00 0.01 -4.00 105.19 109.56 3iss n GLY 217 Ca -0.12 0.34 -0.27 0.00 0.00 0.00 0.00 46.02 45.96 3iss n GLY 217 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3iss s VAL 218 N -0.91 2.08 -0.37 1.61 -7.23 -0.79 -4.69 120.40 110.10 3iss s VAL 218 Ca 0.55 -2.02 0.23 0.00 -1.81 0.00 0.00 61.98 58.94 3iss s VAL 218 Cb -0.48 -2.93 0.07 0.00 0.56 0.00 0.00 36.38 33.59 3iss s VAL 218 CO 0.61 -0.04 1.21 1.05 -0.31 0.00 0.00 175.10 177.62 3iss h GLU 219 N 1.79 0.00 -2.04 4.82 4.11 -1.91 -3.39 114.58 117.97 3iss h GLU 219 Ca -0.44 0.00 0.01 0.00 0.07 0.00 0.00 59.36 59.01 3iss h GLU 219 Cb 1.24 0.00 -0.19 0.00 0.50 0.00 0.00 28.75 30.31 3iss h GLU 219 CO 0.78 0.00 0.34 -0.98 0.07 0.00 0.00 179.01 179.22 3iss s ARG 220 N -3.29 0.91 0.06 1.06 1.70 -1.26 -5.05 118.95 113.08 3iss s ARG 220 Ca 0.02 0.05 0.06 0.00 -0.47 0.00 0.00 55.73 55.40 3iss s ARG 220 Cb 0.10 0.43 -0.04 0.00 -0.57 0.00 0.00 34.95 34.87 3iss s ARG 220 CO 0.75 -0.32 -0.13 -0.51 -1.08 0.00 0.00 175.30 174.02 3iss s LEU 221 N -1.55 2.90 0.00 -1.89 1.43 -1.26 -4.94 118.68 113.37 3iss s LEU 221 Ca -0.04 -0.36 0.00 0.00 -1.03 0.00 0.00 54.13 52.69 3iss s LEU 221 Cb -0.00 -1.70 0.00 0.00 0.03 0.00 0.00 46.19 44.51 3iss s LEU 221 CO 0.02 0.22 0.00 0.61 0.23 0.00 0.00 176.35 177.43 3iss n GLY 222 N 1.16 1.60 0.00 -3.19 0.00 -0.42 -0.87 105.19 103.47 3iss n GLY 222 Ca -0.15 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.35 3iss n GLY 222 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iss n GLY 223 N 5.00 5.45 0.00 -0.02 0.00 -1.26 -3.03 105.19 111.33 3iss n GLY 223 Ca 0.00 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 44.07 3iss n GLY 223 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iss n GLY 224 N 3.47 -0.47 3.13 -0.02 0.00 -0.82 -4.55 105.19 105.93 3iss n GLY 224 Ca 0.00 -1.44 -0.26 0.00 0.00 0.00 0.00 46.02 44.33 3iss n GLY 224 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iss s VAL 225 N -2.74 1.38 -0.10 1.61 1.01 -1.26 -0.88 120.40 119.42 3iss s VAL 225 Ca 0.00 -0.70 -0.09 0.00 0.00 0.00 0.00 61.98 61.19 3iss s VAL 225 Cb 0.00 -1.19 0.03 0.00 0.00 0.00 0.00 36.38 35.22 3iss s VAL 225 CO 0.00 0.40 0.27 -0.47 0.00 0.00 0.00 175.10 175.30 3iss s TYR 226 N -0.01 -0.30 -0.19 5.22 5.04 -0.70 -4.99 117.35 121.41 3iss s TYR 226 Ca -0.02 0.74 -0.07 0.00 -2.44 0.00 0.00 57.07 55.27 3iss s TYR 226 Cb -0.11 0.10 -0.04 0.00 0.35 0.00 0.00 41.96 42.26 3iss s TYR 226 CO 0.02 -0.16 0.06 0.50 -1.34 0.00 0.00 175.55 174.63 3iss s ARG 227 N 0.29 3.92 0.32 4.97 3.52 -1.26 -0.30 118.95 130.41 3iss s ARG 227 Ca -0.01 -0.37 -0.27 0.00 -0.13 0.00 0.00 55.73 54.94 3iss s ARG 227 Cb -0.03 -3.22 -0.09 0.00 -1.56 0.00 0.00 34.95 30.05 3iss s ARG 227 CO -0.01 0.21 1.05 0.08 -0.81 0.00 0.00 175.30 175.82 3iss s VAL 228 N 0.53 3.68 0.89 7.11 1.01 -0.83 -4.94 120.40 127.86 3iss s VAL 228 Ca 0.03 1.53 -0.12 0.00 0.00 0.00 0.00 61.98 63.43 3iss s VAL 228 Cb -0.13 -3.91 0.13 0.00 0.00 0.00 0.00 36.38 32.46 3iss s VAL 228 CO 0.01 0.25 1.09 -1.48 0.00 0.00 0.00 175.10 174.97 3iss s LEU 229 N -1.85 2.23 0.60 3.92 2.34 -1.26 -4.70 118.68 119.96 3iss s LEU 229 Ca 0.49 1.42 -0.18 0.00 0.06 0.00 0.00 54.13 55.93 3iss s LEU 229 Cb -0.27 -3.84 -0.03 0.00 -0.56 0.00 0.00 46.19 41.49 3iss s LEU 229 CO 0.34 -2.60 1.15 -2.84 -1.06 0.00 0.00 176.35 171.34 3iss s PRO 230 N -4.97 3.00 -0.49 1.48 0.02 -1.26 -0.71 135.00 132.06 3iss s PRO 230 Ca 0.63 1.61 -0.28 0.00 0.02 0.00 0.00 61.00 62.98 3iss s PRO 230 Cb -0.17 -1.96 0.03 0.00 0.02 0.00 0.00 34.50 32.42 3iss s PRO 230 CO 0.57 -1.13 1.11 0.34 -0.33 0.00 0.00 177.00 177.56 3iss s ASP 231 N -1.99 6.58 0.39 2.53 -1.08 -0.70 -4.34 116.67 118.06 3iss s ASP 231 Ca 0.72 0.35 0.13 0.00 -0.52 0.00 0.00 52.55 53.24 3iss s ASP 231 Cb -0.25 -2.53 0.80 0.00 -1.46 0.00 0.00 42.92 39.48 3iss s ASP 231 CO 0.34 -1.26 1.87 0.08 0.52 0.00 0.00 175.17 176.72 3iss h ARG 232 N 9.26 0.00 -0.06 4.34 0.11 -1.93 -2.06 114.38 124.04 3iss h ARG 232 Ca -0.23 0.00 -0.20 0.00 0.10 0.00 0.00 59.98 59.64 3iss h ARG 232 Cb 1.06 0.00 0.01 0.00 1.11 0.00 0.00 29.97 32.16 3iss h ARG 232 CO 1.12 0.32 -0.75 0.82 0.10 0.00 0.00 179.97 181.58 3iss h ILE 233 N 0.00 1.33 -0.62 0.08 1.08 -1.96 -0.60 117.51 116.83 3iss h ILE 233 Ca -0.00 -2.05 0.00 0.00 -0.39 0.00 0.00 64.86 62.42 3iss h ILE 233 Cb 0.57 2.30 -0.03 0.00 -3.07 0.00 0.00 36.82 36.58 3iss h ILE 233 CO 0.04 0.62 0.39 -0.08 -0.69 0.00 0.00 178.15 178.43 3iss h GLU 234 N 0.25 0.83 -0.19 2.37 4.81 -1.94 -1.35 114.58 119.36 3iss h GLU 234 Ca -0.08 -0.07 0.04 0.00 -0.13 0.00 0.00 59.36 59.13 3iss h GLU 234 Cb 1.41 -0.18 -0.04 0.00 0.63 0.00 0.00 28.75 30.57 3iss h GLU 234 CO 0.15 0.58 -0.08 1.15 -0.73 0.00 0.00 179.01 180.08 3iss h THR 235 N 0.84 0.74 -0.41 0.32 2.02 -1.22 -2.04 112.91 113.15 3iss h THR 235 Ca 0.22 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.37 3iss h THR 235 Cb -0.05 0.74 -0.02 0.00 -1.74 0.00 0.00 68.15 67.08 3iss h THR 235 CO -0.04 0.00 0.13 1.23 0.37 0.00 0.00 175.52 177.21 3iss h GLY 236 N -0.05 0.64 1.01 2.16 0.00 -0.98 -2.00 103.07 103.85 3iss h GLY 236 Ca 0.10 -0.32 -0.07 0.00 0.00 0.00 0.00 47.33 47.05 3iss h GLY 236 CO -0.22 0.30 0.08 -0.84 0.00 0.00 0.00 176.54 175.86 3iss h THR 237 N 0.59 1.26 -0.06 4.70 2.02 -0.57 -0.78 112.91 120.07 3iss h THR 237 Ca 0.14 -0.97 -0.20 0.00 0.77 0.00 0.00 66.41 66.15 3iss h THR 237 Cb 0.17 0.81 -0.00 0.00 -1.74 0.00 0.00 68.15 67.39 3iss h THR 237 CO -0.01 0.35 -0.80 -0.26 0.37 0.00 0.00 175.52 175.17 3iss h PHE 238 N 0.81 0.60 -0.88 3.16 0.04 -1.23 -0.56 116.94 118.88 3iss h PHE 238 Ca 0.17 -0.29 0.04 0.00 2.80 0.00 0.00 57.97 60.69 3iss h PHE 238 Cb 0.42 -0.08 -0.05 0.00 2.20 0.00 0.00 35.95 38.43 3iss h PHE 238 CO 0.03 1.07 0.57 -0.07 -0.60 0.00 0.00 178.31 179.30 3iss h LEU 239 N 0.28 0.94 -0.52 1.54 3.38 -1.22 -1.89 115.31 117.82 3iss h LEU 239 Ca -0.05 -0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.76 3iss h LEU 239 Cb 1.40 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 3iss h LEU 239 CO 0.14 0.64 -0.51 0.58 0.09 0.00 0.00 178.44 179.38 3iss h VAL 240 N 1.09 1.31 -0.64 1.22 2.07 -0.99 -1.50 116.25 118.81 3iss h VAL 240 Ca 0.35 -1.73 0.11 0.00 0.82 0.00 0.00 66.70 66.25 3iss h VAL 240 Cb 0.02 1.69 -0.08 0.00 -1.52 0.00 0.00 31.29 31.40 3iss h VAL 240 CO -0.12 0.54 0.22 0.00 0.02 0.00 0.00 177.57 178.23 3iss h ALA 241 N 0.96 0.83 -0.08 1.67 0.00 -0.59 -1.78 119.26 120.28 3iss h ALA 241 Ca 0.02 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 3iss h ALA 241 Cb 1.05 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 3iss h ALA 241 CO 0.10 -0.22 -0.01 0.00 0.00 0.00 0.00 179.25 179.11 3iss h ALA 242 N 1.47 0.11 0.00 0.00 0.00 -1.09 -3.06 119.26 116.68 3iss h ALA 242 Ca 0.34 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3iss h ALA 242 Cb 0.46 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 3iss h ALA 242 CO -0.36 -0.18 -0.03 0.00 0.00 0.00 0.00 179.25 178.68 3iss h ALA 243 N 0.69 1.80 0.00 0.00 0.00 -0.90 -0.89 119.26 119.96 3iss h ALA 243 Ca 0.02 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 3iss h ALA 243 Cb 0.39 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3iss h ALA 243 CO 0.01 0.03 -1.13 -0.84 0.00 0.00 0.00 179.25 177.32 3iss h ILE 244 N 0.00 0.20 -0.61 0.00 3.07 -1.37 -3.33 117.51 115.47 3iss h ILE 244 Ca -0.00 -1.40 0.00 0.00 1.55 0.00 0.00 64.86 65.01 3iss h ILE 244 Cb 0.05 1.73 0.00 0.00 -0.27 0.00 0.00 36.82 38.33 3iss h ILE 244 CO 0.00 0.12 0.00 -1.54 -1.05 0.00 0.00 178.15 175.68 3iss n SER 245 N -2.78 3.31 -3.32 2.16 3.41 -0.98 -4.91 113.62 110.51 3iss n SER 245 Ca -0.04 -2.03 -0.24 0.00 -0.26 0.00 0.00 58.87 56.31 3iss n SER 245 Cb 0.66 -0.42 0.03 0.00 -0.26 0.00 0.00 64.21 64.23 3iss n SER 245 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3iss n ARG 246 N 1.26 -4.98 0.00 4.33 1.74 -1.04 -4.47 116.66 113.51 3iss n ARG 246 Ca 0.20 0.74 0.00 0.00 -0.77 0.00 0.00 57.85 58.02 3iss n ARG 246 Cb 0.53 -5.59 0.00 0.00 -1.02 0.00 0.00 32.46 26.38 3iss n ARG 246 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3iss n GLY 247 N -1.52 2.16 3.32 -0.13 0.00 -0.37 -4.15 105.19 104.50 3iss n GLY 247 Ca -0.05 -2.01 -0.14 0.00 0.00 0.00 0.00 46.02 43.83 3iss n GLY 247 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3iss s LYS 248 N 3.13 0.57 -0.05 1.61 -2.85 -1.20 -2.19 119.74 118.75 3iss s LYS 248 Ca 0.00 0.44 -0.16 0.00 -1.00 0.00 0.00 55.97 55.25 3iss s LYS 248 Cb 0.00 0.27 0.03 0.00 -2.06 0.00 0.00 37.83 36.07 3iss s LYS 248 CO 0.00 -0.10 0.37 -1.50 0.10 0.00 0.00 175.35 174.22 3iss s ILE 249 N -0.14 0.04 -0.12 3.79 2.07 -0.13 -1.73 121.20 124.99 3iss s ILE 249 Ca -0.03 -0.31 0.02 0.00 -1.41 0.00 0.00 60.65 58.92 3iss s ILE 249 Cb -0.03 -0.64 -0.00 0.00 0.13 0.00 0.00 42.46 41.92 3iss s ILE 249 CO 0.02 -0.17 -0.19 -0.63 -1.91 0.00 0.00 174.94 172.06 3iss s ILE 250 N -0.93 2.47 -0.25 2.00 -1.09 -0.66 -1.23 121.20 121.51 3iss s ILE 250 Ca -0.10 -0.87 -0.09 0.00 -2.23 0.00 0.00 60.65 57.36 3iss s ILE 250 Cb -0.04 -1.99 -0.04 0.00 -1.58 0.00 0.00 42.46 38.80 3iss s ILE 250 CO 0.04 0.54 0.13 0.00 -1.23 0.00 0.00 174.94 174.42 3iss s ARG 252 N 1.36 3.21 -1.00 0.00 1.81 0.39 -1.99 118.95 122.73 3iss s ARG 252 Ca 0.06 -0.55 -0.03 0.00 -1.72 0.00 0.00 55.73 53.50 3iss s ARG 252 Cb -0.15 -2.91 0.00 0.00 -0.45 0.00 0.00 34.95 31.44 3iss s ARG 252 CO 0.06 0.59 0.85 0.09 -0.68 0.00 0.00 175.30 176.21 3iss n ASN 253 N 0.34 -3.27 -4.88 0.23 4.13 -0.75 -0.42 115.26 110.64 3iss n ASN 253 Ca -0.06 -0.47 -0.21 0.00 1.68 0.00 0.00 54.58 55.52 3iss n ASN 253 Cb 0.51 -4.15 -0.03 0.00 -1.54 0.00 0.00 39.78 34.58 3iss n ASN 253 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3iss s ALA 254 N -3.27 4.00 -0.46 5.41 0.00 -0.43 -4.43 121.76 122.58 3iss s ALA 254 Ca 0.17 -1.72 0.03 0.00 0.00 0.00 0.00 51.96 50.43 3iss s ALA 254 Cb -0.07 -1.19 0.15 0.00 0.00 0.00 0.00 23.12 22.01 3iss s ALA 254 CO 0.58 -0.10 0.30 -1.14 0.00 0.00 0.00 175.76 175.39 3iss s GLN 255 N -4.08 1.24 0.32 0.00 0.74 -1.26 -4.28 119.66 112.33 3iss s GLN 255 Ca 0.45 -2.11 0.06 0.00 0.05 0.00 0.00 55.36 53.81 3iss s GLN 255 Cb -0.05 -2.09 0.73 0.00 1.10 0.00 0.00 33.01 32.70 3iss s GLN 255 CO 0.28 -1.24 1.83 -1.35 -0.55 0.00 0.00 175.29 174.26 3iss h PRO 256 N 6.31 0.77 0.00 1.67 0.11 -1.87 -1.41 132.00 137.57 3iss h PRO 256 Ca 0.09 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.16 3iss h PRO 256 Cb 0.90 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.84 3iss h PRO 256 CO 0.45 0.51 0.00 -0.40 -0.21 0.00 0.00 178.00 178.35 3iss n ASP 257 N -4.63 0.00 0.01 -2.05 5.68 -1.26 -0.94 116.55 113.37 3iss n ASP 257 Ca 0.20 0.21 0.11 0.00 -0.50 0.00 0.00 54.79 54.81 3iss n ASP 257 Cb 0.48 -0.21 0.10 0.00 -1.14 0.00 0.00 41.12 40.35 3iss n ASP 257 CO 0.00 0.00 0.00 0.41 -1.33 0.00 0.00 177.20 176.28 3iss n THR 258 N -1.21 0.07 -1.71 2.12 -1.04 -0.53 -4.40 114.28 107.58 3iss n THR 258 Ca 0.00 -0.09 0.06 0.00 -2.04 0.00 0.00 64.05 61.98 3iss n THR 258 Cb 0.00 0.36 0.13 0.00 -1.82 0.00 0.00 70.33 69.00 3iss n THR 258 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3iss n LEU 259 N -1.68 1.96 -0.04 -4.42 4.77 -0.11 -4.91 117.00 112.57 3iss n LEU 259 Ca 0.04 -2.99 -0.12 0.00 -0.03 0.00 0.00 56.01 52.92 3iss n LEU 259 Cb 0.37 -0.33 -0.06 0.00 -2.33 0.00 0.00 43.42 41.07 3iss n LEU 259 CO 0.38 0.92 0.59 0.44 -1.33 0.00 0.00 177.39 178.39 3iss h ASP 260 N 0.66 -1.33 -0.44 -1.43 3.32 -1.77 -1.00 116.42 114.42 3iss h ASP 260 Ca -0.05 0.18 0.04 0.00 0.02 0.00 0.00 57.03 57.23 3iss h ASP 260 Cb 1.24 0.55 -0.04 0.00 0.22 0.00 0.00 39.33 41.30 3iss h ASP 260 CO 0.02 -0.41 0.20 0.00 -1.72 0.00 0.00 179.24 177.34 3iss h ALA 261 N 0.22 0.55 -0.57 3.45 0.00 -1.89 -1.52 119.26 119.50 3iss h ALA 261 Ca 0.09 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 3iss h ALA 261 Cb 0.61 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 3iss h ALA 261 CO -0.44 -0.17 0.25 0.28 0.00 0.00 0.00 179.25 179.17 3iss h VAL 262 N 0.41 1.22 -0.45 0.00 2.07 -1.78 -1.71 116.25 116.00 3iss h VAL 262 Ca 0.20 -0.65 -0.05 0.00 0.82 0.00 0.00 66.70 67.02 3iss h VAL 262 Cb 0.14 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 3iss h VAL 262 CO -0.16 0.25 0.07 -0.07 0.02 0.00 0.00 177.57 177.69 3iss h LEU 263 N 0.78 0.72 -0.76 2.57 3.38 -0.93 -1.60 115.31 119.47 3iss h LEU 263 Ca 0.19 -0.26 0.09 0.00 0.09 0.00 0.00 57.88 57.99 3iss h LEU 263 Cb 0.17 -0.19 -0.07 0.00 0.09 0.00 0.00 40.66 40.65 3iss h LEU 263 CO -0.02 0.80 0.41 0.00 0.09 0.00 0.00 178.44 179.72 3iss h ALA 264 N 0.95 1.06 -0.37 1.53 0.00 -1.10 -1.23 119.26 120.10 3iss h ALA 264 Ca 0.14 0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.94 3iss h ALA 264 Cb 0.39 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3iss h ALA 264 CO 0.01 0.03 -0.34 -0.22 0.00 0.00 0.00 179.25 178.73 3iss h LYS 265 N 0.70 0.85 -0.70 0.00 1.63 -1.06 -2.00 116.57 115.99 3iss h LYS 265 Ca 0.37 -0.42 -0.03 0.00 -0.85 0.00 0.00 60.65 59.73 3iss h LYS 265 Cb 0.34 -0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 31.94 3iss h LYS 265 CO -0.25 1.06 0.34 -0.07 -3.45 0.00 0.00 179.45 177.08 3iss h LEU 266 N 0.70 0.92 -0.44 5.20 3.38 -0.92 -1.44 115.31 122.71 3iss h LEU 266 Ca 0.07 -0.13 0.05 0.00 0.09 0.00 0.00 57.88 57.95 3iss h LEU 266 Cb 0.91 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.38 3iss h LEU 266 CO 0.08 0.79 0.19 0.03 0.09 0.00 0.00 178.44 179.63 3iss h ARG 267 N 0.98 0.37 -0.05 1.13 3.08 -1.00 -1.28 114.38 117.62 3iss h ARG 267 Ca 0.24 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.28 3iss h ARG 267 Cb 0.12 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.08 3iss h ARG 267 CO -0.03 0.25 0.05 -0.44 -1.07 0.00 0.00 179.97 178.72 3iss h ASP 268 N 0.39 0.00 0.69 7.04 3.32 -0.96 0.40 116.42 127.29 3iss h ASP 268 Ca 0.20 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.25 3iss h ASP 268 Cb 0.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.70 3iss h ASP 268 CO -0.17 0.00 -0.05 0.00 -1.72 0.00 0.00 179.24 177.30 3iss n ALA 269 N -2.40 2.54 0.00 3.45 0.00 -0.58 -4.72 120.51 118.81 3iss n ALA 269 Ca -0.02 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.26 3iss n ALA 269 Cb 0.14 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.15 3iss n ALA 269 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iss n GLY 270 N 1.37 1.23 3.86 0.00 0.00 0.14 0.34 105.19 112.14 3iss n GLY 270 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 3iss n GLY 270 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iss s ALA 271 N -2.00 3.37 -0.41 4.61 0.00 -0.63 -4.88 121.76 121.81 3iss s ALA 271 Ca 0.00 -0.11 -0.13 0.00 0.00 0.00 0.00 51.96 51.72 3iss s ALA 271 Cb 0.00 -2.69 0.05 0.00 0.00 0.00 0.00 23.12 20.47 3iss s ALA 271 CO 0.00 0.21 0.28 0.34 0.00 0.00 0.00 175.76 176.60 3iss s ASP 272 N -2.66 5.91 -0.08 0.00 2.15 -0.39 -4.40 116.67 117.19 3iss s ASP 272 Ca 0.52 -1.15 0.04 0.00 0.43 0.00 0.00 52.55 52.40 3iss s ASP 272 Cb -0.10 -2.09 -0.00 0.00 -0.30 0.00 0.00 42.92 40.43 3iss s ASP 272 CO 0.24 -0.49 -0.23 -0.63 -0.17 0.00 0.00 175.17 173.89 3iss s ILE 273 N 1.58 1.94 0.08 4.11 1.01 -1.26 -1.10 121.20 127.57 3iss s ILE 273 Ca 0.03 -0.97 0.07 0.00 0.00 0.00 0.00 60.65 59.79 3iss s ILE 273 Cb -0.21 -1.68 -0.03 0.00 0.01 0.00 0.00 42.46 40.55 3iss s ILE 273 CO 0.07 0.54 -0.20 -1.61 0.00 0.00 0.00 174.94 173.73 3iss s GLU 274 N 0.24 1.17 0.01 2.79 2.02 -0.75 -4.98 118.70 119.20 3iss s GLU 274 Ca -0.14 -1.05 0.07 0.00 0.02 0.00 0.00 54.97 53.86 3iss s GLU 274 Cb -0.16 -1.35 -0.02 0.00 0.10 0.00 0.00 34.13 32.69 3iss s GLU 274 CO 0.07 0.32 -0.21 0.14 0.02 0.00 0.00 175.26 175.60 3iss s VAL 275 N -1.04 1.68 0.00 2.63 -7.23 -1.26 -0.10 120.40 115.07 3iss s VAL 275 Ca 0.06 -1.05 0.00 0.00 -1.81 0.00 0.00 61.98 59.18 3iss s VAL 275 Cb -0.09 -1.42 0.00 0.00 0.56 0.00 0.00 36.38 35.42 3iss s VAL 275 CO 0.03 0.34 0.00 0.61 -0.31 0.00 0.00 175.10 175.78 3iss n GLY 276 N 2.21 2.71 0.15 2.32 0.00 0.01 -4.99 105.19 107.60 3iss n GLY 276 Ca -0.16 -2.00 0.08 0.00 0.00 0.00 0.00 46.02 43.94 3iss n GLY 276 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3iss h GLU 277 N 0.00 0.00 0.00 1.61 4.81 -2.00 -3.38 114.58 115.61 3iss h GLU 277 Ca 0.00 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.09 3iss h GLU 277 Cb 0.00 0.00 -0.26 0.00 0.63 0.00 0.00 28.75 29.12 3iss h GLU 277 CO 0.00 0.13 -0.72 -0.40 -0.73 0.00 0.00 179.01 177.29 3iss n ASP 278 N -2.94 0.26 -3.91 1.04 5.75 -1.26 -4.72 116.55 110.77 3iss n ASP 278 Ca 0.00 -1.95 -0.09 0.00 -0.01 0.00 0.00 54.79 52.74 3iss n ASP 278 Cb 0.62 -0.09 -0.09 0.00 -1.03 0.00 0.00 41.12 40.53 3iss n ASP 278 CO 0.00 0.00 0.00 -1.66 -0.11 0.00 0.00 177.20 175.43 3iss s TRP 279 N 0.00 0.19 -0.02 2.11 1.48 -1.26 -1.32 118.94 120.12 3iss s TRP 279 Ca 0.19 -0.54 0.02 0.00 -1.06 0.00 0.00 56.10 54.72 3iss s TRP 279 Cb 0.22 -0.12 0.00 0.00 -1.16 0.00 0.00 33.47 32.41 3iss s TRP 279 CO -0.10 -0.44 -0.08 0.42 -4.06 0.00 0.00 176.95 172.70 3iss s ILE 280 N -3.13 0.69 0.10 0.66 1.01 -0.84 -0.81 121.20 118.88 3iss s ILE 280 Ca -0.01 -0.32 0.10 0.00 0.00 0.00 0.00 60.65 60.42 3iss s ILE 280 Cb 0.02 -0.61 -0.04 0.00 0.01 0.00 0.00 42.46 41.84 3iss s ILE 280 CO -0.07 0.22 -0.24 -0.94 0.00 0.00 0.00 174.94 173.91 3iss s SER 281 N 0.14 3.49 -0.04 3.58 1.04 0.85 -0.62 113.70 122.14 3iss s SER 281 Ca -0.02 -0.64 -0.02 0.00 0.48 0.00 0.00 55.95 55.75 3iss s SER 281 Cb -0.07 -0.35 0.03 0.00 0.10 0.00 0.00 66.02 65.73 3iss s SER 281 CO 0.00 0.20 0.09 -0.22 0.98 0.00 0.00 173.24 174.29 3iss s LEU 282 N -1.89 0.76 -0.07 2.42 0.20 -0.36 -1.80 118.68 117.93 3iss s LEU 282 Ca 0.15 0.17 0.01 0.00 0.69 0.00 0.00 54.13 55.15 3iss s LEU 282 Cb -0.10 0.12 0.02 0.00 -0.43 0.00 0.00 46.19 45.79 3iss s LEU 282 CO 0.06 -0.16 -0.08 -0.62 -0.29 0.00 0.00 176.35 175.26 3iss s ASP 283 N 1.31 1.58 0.04 3.68 -1.08 -0.25 -0.95 116.67 120.99 3iss s ASP 283 Ca -0.07 -0.23 0.24 0.00 -0.52 0.00 0.00 52.55 51.97 3iss s ASP 283 Cb -0.12 -0.69 0.35 0.00 -1.46 0.00 0.00 42.92 40.99 3iss s ASP 283 CO -0.04 -0.03 1.29 0.23 0.52 0.00 0.00 175.17 177.14 3iss n MET 284 N 4.16 0.13 -3.90 4.34 2.81 -0.93 -1.26 117.12 122.47 3iss n MET 284 Ca -0.21 0.02 -0.27 0.00 -1.81 0.00 0.00 57.70 55.44 3iss n MET 284 Cb 0.51 -1.57 0.01 0.00 -0.71 0.00 0.00 33.22 31.46 3iss n MET 284 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 3iss n HIS 285 N -1.75 -1.92 -0.78 2.03 8.25 -1.26 -1.09 115.22 118.70 3iss n HIS 285 Ca 0.04 0.83 0.00 0.00 -0.26 0.00 0.00 57.72 58.33 3iss n HIS 285 Cb 0.38 -3.91 0.00 0.00 1.12 0.00 0.00 29.99 27.58 3iss n HIS 285 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3iss n GLY 286 N -1.71 0.38 3.84 -1.41 0.00 -1.26 -4.97 105.19 100.06 3iss n GLY 286 Ca -0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 3iss n GLY 286 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iss s LYS 287 N -0.70 4.09 0.13 1.61 -0.14 -0.25 -4.96 119.74 119.53 3iss s LYS 287 Ca 0.00 0.81 -0.27 0.00 -1.36 0.00 0.00 55.97 55.15 3iss s LYS 287 Cb 0.00 -2.42 -0.07 0.00 -1.68 0.00 0.00 37.83 33.66 3iss s LYS 287 CO 0.00 0.14 0.84 0.50 -0.76 0.00 0.00 175.35 176.07 3iss s ARG 288 N -2.91 4.62 0.65 1.68 3.52 -1.26 -4.50 118.95 120.74 3iss s ARG 288 Ca 0.55 1.25 -0.17 0.00 -0.13 0.00 0.00 55.73 57.23 3iss s ARG 288 Cb -0.11 -3.32 -0.00 0.00 -1.56 0.00 0.00 34.95 29.96 3iss s ARG 288 CO 0.17 0.39 1.19 -1.25 -0.81 0.00 0.00 175.30 174.99 3iss s PRO 289 N -0.55 2.66 -0.07 5.12 0.04 -1.26 -4.80 135.00 136.14 3iss s PRO 289 Ca 0.40 1.73 -0.11 0.00 0.04 0.00 0.00 61.00 63.06 3iss s PRO 289 Cb -0.23 -1.90 -0.05 0.00 0.04 0.00 0.00 34.50 32.36 3iss s PRO 289 CO 0.27 -1.42 0.27 0.15 0.04 0.00 0.00 177.00 176.31 3iss s LYS 290 N -3.65 3.71 0.35 4.56 -0.14 0.15 -0.95 119.74 123.77 3iss s LYS 290 Ca 0.75 0.13 -0.27 0.00 -1.36 0.00 0.00 55.97 55.22 3iss s LYS 290 Cb -0.28 -3.22 -0.12 0.00 -1.68 0.00 0.00 37.83 32.52 3iss s LYS 290 CO 0.38 0.71 1.08 0.00 -0.76 0.00 0.00 175.35 176.76 3iss n ALA 291 N 2.01 0.31 -2.36 5.17 0.00 -0.60 -4.33 120.51 120.70 3iss n ALA 291 Ca -0.17 0.33 -0.19 0.00 0.00 0.00 0.00 53.44 53.42 3iss n ALA 291 Cb 0.54 -2.10 -0.10 0.00 0.00 0.00 0.00 19.45 17.78 3iss n ALA 291 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3iss s VAL 292 N -1.14 1.29 -0.10 0.00 -7.23 -1.26 -4.85 120.40 107.11 3iss s VAL 292 Ca 0.59 -2.07 0.01 0.00 -1.81 0.00 0.00 61.98 58.70 3iss s VAL 292 Cb -0.62 -2.36 -0.02 0.00 0.56 0.00 0.00 36.38 33.95 3iss s VAL 292 CO 0.60 -0.34 -0.13 0.20 -0.31 0.00 0.00 175.10 175.11 3iss s ASN 293 N -3.35 4.04 0.02 4.85 0.02 -1.26 -3.46 114.94 115.80 3iss s ASN 293 Ca 0.28 -0.27 0.03 0.00 -1.02 0.00 0.00 52.86 51.88 3iss s ASN 293 Cb 0.05 -1.33 -0.02 0.00 0.02 0.00 0.00 41.25 39.97 3iss s ASN 293 CO 0.09 0.23 -0.10 -0.69 0.02 0.00 0.00 177.10 176.66 3iss s VAL 294 N -0.06 0.74 -0.19 1.60 1.01 -0.38 -4.99 120.40 118.13 3iss s VAL 294 Ca -0.02 -0.75 -0.01 0.00 0.00 0.00 0.00 61.98 61.19 3iss s VAL 294 Cb -0.14 -0.69 0.05 0.00 0.00 0.00 0.00 36.38 35.60 3iss s VAL 294 CO 0.04 -0.05 -0.02 -0.60 0.00 0.00 0.00 175.10 174.47 3iss s ARG 295 N -0.89 1.14 0.50 2.72 3.52 -1.26 -0.34 118.95 124.34 3iss s ARG 295 Ca -0.01 -0.55 -0.21 0.00 -0.13 0.00 0.00 55.73 54.82 3iss s ARG 295 Cb -0.06 -2.11 -0.06 0.00 -1.56 0.00 0.00 34.95 31.15 3iss s ARG 295 CO 0.00 -0.54 1.17 0.95 -0.81 0.00 0.00 175.30 176.08 3iss s THR 296 N 1.68 3.02 0.09 4.11 -4.23 -0.37 -4.33 115.64 115.61 3iss s THR 296 Ca -0.01 0.71 -0.27 0.00 -1.18 0.00 0.00 61.69 60.94 3iss s THR 296 Cb -0.17 -3.33 0.09 0.00 1.34 0.00 0.00 72.50 70.43 3iss s THR 296 CO -0.07 -0.06 1.09 0.00 -0.54 0.00 0.00 174.62 175.04 3iss s ALA 297 N -1.61 -1.89 0.70 3.99 0.00 -0.38 -3.66 121.76 118.91 3iss s ALA 297 Ca 0.68 0.35 -0.16 0.00 0.00 0.00 0.00 51.96 52.83 3iss s ALA 297 Cb -0.28 0.53 0.02 0.00 0.00 0.00 0.00 23.12 23.39 3iss s ALA 297 CO 0.33 -1.05 1.22 -2.14 0.00 0.00 0.00 175.76 174.12 3iss s PRO 298 N -2.93 2.33 0.34 0.00 0.02 -1.26 -4.36 135.00 129.14 3iss s PRO 298 Ca 0.13 1.82 -0.26 0.00 0.02 0.00 0.00 61.00 62.70 3iss s PRO 298 Cb 0.01 -1.85 -0.13 0.00 0.02 0.00 0.00 34.50 32.55 3iss s PRO 298 CO -0.00 -1.71 0.95 1.58 -0.33 0.00 0.00 177.00 177.49 3iss n HIS 299 N -2.43 1.02 -0.44 6.54 -0.00 -1.26 -2.11 115.22 116.55 3iss n HIS 299 Ca 0.14 0.66 0.04 0.00 0.46 0.00 0.00 57.72 59.02 3iss n HIS 299 Cb 0.50 -2.21 0.30 0.00 -0.12 0.00 0.00 29.99 28.46 3iss n HIS 299 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 3iss n PRO 300 N 0.55 3.88 -1.06 1.57 -0.04 -1.26 -4.53 135.00 134.11 3iss n PRO 300 Ca 0.10 -2.38 -0.30 0.00 -0.04 0.00 0.00 63.50 60.88 3iss n PRO 300 Cb 0.35 -2.08 0.25 0.00 -0.04 0.00 0.00 33.50 31.98 3iss n PRO 300 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3iss s ALA 301 N -2.34 0.55 0.15 0.55 0.00 -0.90 -4.36 121.76 115.41 3iss s ALA 301 Ca 0.41 -1.05 -0.31 0.00 0.00 0.00 0.00 51.96 51.01 3iss s ALA 301 Cb 0.32 -2.84 -0.10 0.00 0.00 0.00 0.00 23.12 20.50 3iss s ALA 301 CO 0.12 -3.72 1.56 0.12 0.00 0.00 0.00 175.76 173.84 3iss s PHE 302 N -3.01 3.01 0.16 0.00 2.19 -1.26 -4.79 117.98 114.28 3iss s PHE 302 Ca 0.72 0.63 -0.29 0.00 0.33 0.00 0.00 56.93 58.31 3iss s PHE 302 Cb -0.08 -3.91 -0.07 0.00 -1.31 0.00 0.00 43.02 37.65 3iss s PHE 302 CO 0.56 -3.36 0.91 -1.25 1.83 0.00 0.00 175.22 173.91 3iss s PRO 303 N 1.30 4.73 0.49 10.12 0.05 -1.26 -1.25 135.00 149.17 3iss s PRO 303 Ca 0.70 1.40 0.16 0.00 0.05 0.00 0.00 61.00 63.31 3iss s PRO 303 Cb -0.43 -3.33 1.18 0.00 0.05 0.00 0.00 34.50 31.97 3iss s PRO 303 CO 0.31 0.38 2.07 0.00 0.05 0.00 0.00 177.00 179.81 3iss h THR 304 N 3.63 0.94 0.00 1.26 1.03 -1.94 -1.32 112.91 116.52 3iss h THR 304 Ca -0.44 -0.06 0.00 0.00 -0.01 0.00 0.00 66.41 65.90 3iss h THR 304 Cb 1.21 0.75 0.00 0.00 -1.07 0.00 0.00 68.15 69.03 3iss h THR 304 CO 0.70 0.03 0.00 0.47 -0.01 0.00 0.00 175.52 176.71 3iss n ASP 305 N -4.48 0.00 -0.28 0.00 8.00 -1.26 -1.47 116.55 117.05 3iss n ASP 305 Ca 0.03 0.32 0.04 0.00 0.71 0.00 0.00 54.79 55.90 3iss n ASP 305 Cb 0.24 -0.39 0.02 0.00 -0.02 0.00 0.00 41.12 40.98 3iss n ASP 305 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 3iss n MET 306 N -1.39 1.18 -0.19 -1.24 2.81 -0.50 -4.76 117.12 113.04 3iss n MET 306 Ca 0.03 -0.81 -0.05 0.00 -1.81 0.00 0.00 57.70 55.06 3iss n MET 306 Cb 0.09 -1.11 0.05 0.00 -0.71 0.00 0.00 33.22 31.53 3iss n MET 306 CO 0.00 0.00 0.00 0.37 1.51 0.00 0.00 175.97 177.85 3iss h GLN 307 N 1.40 0.64 -0.28 0.03 -0.00 -1.23 -2.48 115.11 113.20 3iss h GLN 307 Ca 0.00 -0.04 -0.14 0.00 -0.00 0.00 0.00 58.65 58.48 3iss h GLN 307 Cb 0.34 -0.14 -0.01 0.00 0.00 0.00 0.00 27.48 27.66 3iss h GLN 307 CO 0.00 0.42 -0.39 0.00 0.00 0.00 0.00 178.83 178.87 3iss h ALA 308 N 1.24 0.81 -0.75 3.38 0.00 -1.86 -1.22 119.26 120.87 3iss h ALA 308 Ca 0.22 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 3iss h ALA 308 Cb 0.02 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3iss h ALA 308 CO -0.10 0.65 0.34 1.96 0.00 0.00 0.00 179.25 182.10 3iss h GLN 309 N 0.53 1.09 0.00 0.00 7.50 -1.80 -1.87 115.11 120.55 3iss h GLN 309 Ca 0.05 -0.17 -0.05 0.00 0.50 0.00 0.00 58.65 58.98 3iss h GLN 309 Cb 0.90 -0.19 -0.01 0.00 0.05 0.00 0.00 27.48 28.24 3iss h GLN 309 CO 0.08 0.86 -0.22 0.74 -1.50 0.00 0.00 178.83 178.79 3iss h PHE 310 N 1.06 0.00 -0.43 2.96 -1.00 -1.22 -2.17 116.94 116.13 3iss h PHE 310 Ca 0.25 0.00 -0.05 0.00 2.81 0.00 0.00 57.97 60.99 3iss h PHE 310 Cb 0.15 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.69 3iss h PHE 310 CO 0.01 0.22 0.09 1.15 -1.61 0.00 0.00 178.31 178.17 3iss h THR 311 N 0.00 1.24 -0.20 -1.55 2.02 -0.80 -1.82 112.91 111.80 3iss h THR 311 Ca -0.00 -0.85 -0.01 0.00 0.77 0.00 0.00 66.41 66.32 3iss h THR 311 Cb 0.92 0.96 -0.01 0.00 -1.74 0.00 0.00 68.15 68.28 3iss h THR 311 CO 0.03 0.30 0.10 0.25 0.37 0.00 0.00 175.52 176.56 3iss h LEU 312 N 0.57 0.25 -0.26 2.58 5.85 -1.05 -1.32 115.31 121.94 3iss h LEU 312 Ca 0.13 -0.12 0.06 0.00 0.84 0.00 0.00 57.88 58.80 3iss h LEU 312 Cb 0.35 -0.07 -0.07 0.00 0.37 0.00 0.00 40.66 41.24 3iss h LEU 312 CO 0.01 0.30 -0.25 0.25 -0.34 0.00 0.00 178.44 178.41 3iss h LEU 313 N 0.19 -0.79 -1.94 2.25 6.46 -1.31 0.11 115.31 120.28 3iss h LEU 313 Ca 0.07 0.14 0.06 0.00 -0.12 0.00 0.00 57.88 58.03 3iss h LEU 313 Cb 0.11 0.38 -0.01 0.00 -0.73 0.00 0.00 40.66 40.40 3iss h LEU 313 CO -0.01 -0.28 0.17 0.78 -0.62 0.00 0.00 178.44 178.48 3iss h ASN 314 N -0.24 0.07 1.21 1.25 2.35 -1.11 -1.97 115.58 117.14 3iss h ASN 314 Ca 0.14 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 3iss h ASN 314 Cb 0.46 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.82 3iss h ASN 314 CO -0.40 0.04 0.00 -0.07 -1.65 0.00 0.00 177.43 175.35 3iss h LEU 315 N 0.07 0.00 -3.00 1.61 3.38 0.39 -2.85 115.31 114.92 3iss h LEU 315 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3iss h LEU 315 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 3iss h LEU 315 CO -0.01 0.00 -0.00 1.33 0.09 0.00 0.00 178.44 179.85 3iss n VAL 316 N -2.35 1.62 -2.83 1.22 0.24 -0.83 -1.28 118.33 114.12 3iss n VAL 316 Ca 0.04 -1.88 -0.20 0.00 -2.04 0.00 0.00 64.34 60.26 3iss n VAL 316 Cb 0.36 -0.01 0.05 0.00 -1.47 0.00 0.00 33.84 32.76 3iss n VAL 316 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3iss s ALA 317 N -2.31 4.24 -0.37 2.33 0.00 -0.80 -4.69 121.76 120.15 3iss s ALA 317 Ca 0.22 -1.68 -0.25 0.00 0.00 0.00 0.00 51.96 50.26 3iss s ALA 317 Cb 0.19 -1.80 0.01 0.00 0.00 0.00 0.00 23.12 21.53 3iss s ALA 317 CO 0.02 -0.75 0.89 -2.00 0.00 0.00 0.00 175.76 173.92 3iss s GLU 318 N -4.68 3.79 0.00 0.00 2.12 -0.13 -4.02 118.70 115.78 3iss s GLU 318 Ca 0.59 0.47 0.00 0.00 0.36 0.00 0.00 54.97 56.39 3iss s GLU 318 Cb -0.08 -3.81 0.00 0.00 0.26 0.00 0.00 34.13 30.49 3iss s GLU 318 CO 0.38 -0.94 0.00 0.41 -0.54 0.00 0.00 175.26 174.57 3iss n GLY 319 N 4.47 -1.10 3.38 -1.50 0.00 -1.26 -1.55 105.19 107.63 3iss n GLY 319 Ca 0.06 -2.12 -0.33 0.00 0.00 0.00 0.00 46.02 43.63 3iss n GLY 319 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3iss s THR 320 N 0.00 3.04 0.06 2.61 2.01 -1.26 -1.77 115.64 120.33 3iss s THR 320 Ca 0.00 -0.67 0.02 0.00 0.31 0.00 0.00 61.69 61.35 3iss s THR 320 Cb 0.00 -2.26 -0.03 0.00 0.01 0.00 0.00 72.50 70.22 3iss s THR 320 CO 0.00 0.53 -0.08 -0.83 -0.69 0.00 0.00 174.62 173.55 3iss s GLY 321 N 0.21 0.59 0.17 4.40 0.00 -0.76 -4.76 107.32 107.16 3iss s GLY 321 Ca -0.08 -0.89 0.10 0.00 0.00 0.00 0.00 44.72 43.84 3iss s GLY 321 CO 0.05 -0.95 -0.18 -0.11 0.00 0.00 0.00 173.10 171.91 3iss s PHE 322 N -1.76 2.48 -0.13 1.90 -0.71 -1.22 -0.92 117.98 117.61 3iss s PHE 322 Ca -0.05 -0.29 -0.00 0.00 -1.04 0.00 0.00 56.93 55.55 3iss s PHE 322 Cb -0.07 -1.24 0.03 0.00 -1.21 0.00 0.00 43.02 40.52 3iss s PHE 322 CO -0.00 0.47 -0.08 0.42 -1.34 0.00 0.00 175.22 174.69 3iss s ILE 323 N -1.54 1.14 -0.14 -4.49 1.01 -0.51 -1.25 121.20 115.41 3iss s ILE 323 Ca 0.21 -0.43 -0.04 0.00 0.00 0.00 0.00 60.65 60.39 3iss s ILE 323 Cb -0.09 -1.18 -0.03 0.00 0.01 0.00 0.00 42.46 41.17 3iss s ILE 323 CO 0.12 0.33 0.00 -0.89 0.00 0.00 0.00 174.94 174.50 3iss s THR 324 N 1.65 4.29 -0.25 2.92 2.01 0.53 -1.21 115.64 125.59 3iss s THR 324 Ca 0.04 -0.23 -0.06 0.00 0.31 0.00 0.00 61.69 61.75 3iss s THR 324 Cb -0.13 -2.87 -0.01 0.00 0.01 0.00 0.00 72.50 69.49 3iss s THR 324 CO -0.09 0.52 0.04 -0.70 -0.69 0.00 0.00 174.62 173.70 3iss s GLU 325 N -0.02 3.40 0.00 4.92 2.56 -0.53 -1.23 118.70 127.80 3iss s GLU 325 Ca 0.03 -0.63 0.10 0.00 0.00 0.00 0.00 54.97 54.47 3iss s GLU 325 Cb -0.13 -3.23 0.01 0.00 2.00 0.00 0.00 34.13 32.78 3iss s GLU 325 CO 0.02 -0.26 0.67 0.25 -0.56 0.00 0.00 175.26 175.38 3iss n THR 326 N 4.86 0.00 -0.13 -1.70 -2.24 -1.24 -4.55 114.28 109.29 3iss n THR 326 Ca -0.16 -0.41 -0.25 0.00 -2.27 0.00 0.00 64.05 60.95 3iss n THR 326 Cb 0.50 1.14 -0.09 0.00 -2.10 0.00 0.00 70.33 69.78 3iss n THR 326 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3iss n VAL 327 N -0.10 1.52 -3.90 2.28 0.31 -1.26 -4.81 118.33 112.37 3iss n VAL 327 Ca 0.05 -0.26 -0.30 0.00 -0.01 0.00 0.00 64.34 63.82 3iss n VAL 327 Cb 0.22 -1.98 -0.14 0.00 -0.91 0.00 0.00 33.84 31.03 3iss n VAL 327 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 3iss s PHE 328 N -2.55 2.97 -0.54 3.52 0.08 -1.26 -4.99 117.98 115.20 3iss s PHE 328 Ca -0.36 -2.77 0.22 0.00 0.12 0.00 0.00 56.93 54.15 3iss s PHE 328 Cb 0.12 -2.54 0.93 0.00 -0.57 0.00 0.00 43.02 40.97 3iss s PHE 328 CO 0.49 -0.85 1.67 0.39 -0.10 0.00 0.00 175.22 176.82 3iss n GLU 329 N 3.87 0.17 -1.47 0.44 1.02 -1.26 -2.25 120.64 121.16 3iss n GLU 329 Ca 0.04 0.41 -0.21 0.00 -0.02 0.00 0.00 57.16 57.38 3iss n GLU 329 Cb 0.38 -1.82 0.09 0.00 -0.02 0.00 0.00 31.44 30.06 3iss n GLU 329 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 3iss n ASN 330 N -2.14 4.82 -3.91 1.62 4.05 -1.22 -4.67 115.26 113.81 3iss n ASN 330 Ca 0.02 -3.78 -0.41 0.00 0.45 0.00 0.00 54.58 50.87 3iss n ASN 330 Cb 0.22 -0.59 -0.00 0.00 1.23 0.00 0.00 39.78 40.63 3iss n ASN 330 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 177.26 173.07 3iss n ARG 331 N -0.90 4.28 -0.01 1.20 0.63 -0.95 -4.57 116.66 116.34 3iss n ARG 331 Ca 0.45 -4.58 0.00 0.00 -0.92 0.00 0.00 57.85 52.80 3iss n ARG 331 Cb 0.92 -2.48 0.00 0.00 0.45 0.00 0.00 32.46 31.35 3iss n ARG 331 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 3iss n PHE 332 N 1.18 0.00 -0.16 -0.14 3.72 -1.26 -4.86 117.46 115.94 3iss n PHE 332 Ca 0.27 -0.10 0.26 0.00 -0.05 0.00 0.00 57.45 57.83 3iss n PHE 332 Cb 0.34 -0.01 0.69 0.00 -0.94 0.00 0.00 39.48 39.56 3iss n PHE 332 CO 0.00 0.00 0.00 0.52 -0.05 0.00 0.00 176.76 177.23 3iss h MET 333 N 0.00 0.06 -0.00 -1.08 2.86 -1.96 0.36 114.93 115.16 3iss h MET 333 Ca 0.00 -0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3iss h MET 333 Cb 0.91 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.56 3iss h MET 333 CO 0.00 0.04 0.00 1.12 1.06 0.00 0.00 176.91 179.13 3iss h HIS 334 N 0.06 0.01 0.75 -0.22 -0.00 -1.94 -3.24 115.15 110.56 3iss h HIS 334 Ca 0.41 0.00 -0.04 0.00 -0.00 0.00 0.00 60.37 60.74 3iss h HIS 334 Cb 1.54 -0.00 0.01 0.00 -0.00 0.00 0.00 27.41 28.95 3iss h HIS 334 CO -0.00 0.01 -0.36 0.28 -0.00 0.00 0.00 177.93 177.86 3iss h VAL 335 N 0.01 0.27 -0.89 6.12 2.07 -1.31 -0.87 116.25 121.65 3iss h VAL 335 Ca 0.00 -0.01 0.11 0.00 0.82 0.00 0.00 66.70 67.63 3iss h VAL 335 Cb 0.00 0.27 -0.07 0.00 -1.52 0.00 0.00 31.29 29.97 3iss h VAL 335 CO -0.00 0.00 0.57 -0.65 0.02 0.00 0.00 177.57 177.51 3iss h PRO 336 N -1.01 0.79 -0.44 1.57 0.11 -1.71 -0.02 132.00 131.29 3iss h PRO 336 Ca -0.10 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.95 3iss h PRO 336 Cb 0.77 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.68 3iss h PRO 336 CO 0.17 0.52 0.25 0.93 -0.21 0.00 0.00 178.00 179.66 3iss h GLU 337 N 0.81 0.60 0.00 1.05 4.39 -1.52 -1.91 114.58 118.00 3iss h GLU 337 Ca 0.43 -0.06 -0.05 0.00 0.34 0.00 0.00 59.36 60.01 3iss h GLU 337 Cb 0.52 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.04 3iss h GLU 337 CO -0.19 0.46 -0.24 -0.07 -1.16 0.00 0.00 179.01 177.81 3iss h LEU 338 N 0.57 0.00 -1.52 1.33 3.38 -0.15 -0.98 115.31 117.94 3iss h LEU 338 Ca 0.15 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.07 3iss h LEU 338 Cb 0.03 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3iss h LEU 338 CO -0.03 0.24 -0.25 0.28 0.09 0.00 0.00 178.44 178.78 3iss h SER 339 N 0.00 0.00 0.52 -0.43 0.02 -0.26 -1.45 113.55 111.95 3iss h SER 339 Ca -0.00 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.91 3iss h SER 339 Cb 0.49 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.03 3iss h SER 339 CO 0.03 0.25 -0.16 0.03 -1.14 0.00 0.00 176.83 175.84 3iss h ARG 340 N 0.00 0.00 -0.35 3.45 3.08 -0.71 -2.20 114.38 117.66 3iss h ARG 340 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3iss h ARG 340 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.51 3iss h ARG 340 CO 0.03 0.16 0.00 -1.33 -1.07 0.00 0.00 179.97 177.76 3iss n MET 341 N -3.57 2.01 0.00 0.04 2.81 -0.61 -4.81 117.12 112.98 3iss n MET 341 Ca -0.01 -1.55 0.00 0.00 -1.81 0.00 0.00 57.70 54.33 3iss n MET 341 Cb 0.30 -1.39 0.00 0.00 -0.71 0.00 0.00 33.22 31.41 3iss n MET 341 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3iss n GLY 342 N 1.23 0.58 3.76 3.03 0.00 -0.83 -0.27 105.19 112.70 3iss n GLY 342 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 3iss n GLY 342 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iss s ALA 343 N -2.00 2.46 -0.34 4.61 0.00 -0.82 -4.97 121.76 120.69 3iss s ALA 343 Ca 0.00 0.75 -0.02 0.00 0.00 0.00 0.00 51.96 52.70 3iss s ALA 343 Cb 0.00 -3.38 0.08 0.00 0.00 0.00 0.00 23.12 19.82 3iss s ALA 343 CO 0.00 -1.27 0.07 -1.01 0.00 0.00 0.00 175.76 173.55 3iss s HIS 344 N -2.02 3.43 0.01 0.00 0.09 -1.26 -4.49 115.29 111.05 3iss s HIS 344 Ca 0.71 -2.18 -0.08 0.00 -0.00 0.00 0.00 55.06 53.52 3iss s HIS 344 Cb -0.25 -2.57 0.00 0.00 -0.00 0.00 0.00 32.58 29.77 3iss s HIS 344 CO 0.38 -0.88 0.16 0.00 -0.00 0.00 0.00 174.74 174.40 3iss s ALA 345 N 1.18 -0.35 0.12 -1.40 0.00 -1.26 -1.55 121.76 118.49 3iss s ALA 345 Ca 0.01 -0.14 0.06 0.00 0.00 0.00 0.00 51.96 51.89 3iss s ALA 345 Cb -0.21 0.14 -0.04 0.00 0.00 0.00 0.00 23.12 23.01 3iss s ALA 345 CO -0.03 -0.24 -0.16 -1.83 0.00 0.00 0.00 175.76 173.51 3iss s GLU 346 N -1.59 1.04 -0.21 0.00 1.03 -0.54 -4.97 118.70 113.46 3iss s GLU 346 Ca -0.13 -1.20 -0.02 0.00 0.03 0.00 0.00 54.97 53.65 3iss s GLU 346 Cb -0.06 -1.02 0.01 0.00 -0.80 0.00 0.00 34.13 32.25 3iss s GLU 346 CO 0.01 0.21 -0.10 0.42 -1.33 0.00 0.00 175.26 174.47 3iss s ILE 347 N -1.83 2.86 -0.30 1.83 1.01 -1.26 0.10 121.20 123.60 3iss s ILE 347 Ca 0.08 -0.73 -0.00 0.00 0.00 0.00 0.00 60.65 59.99 3iss s ILE 347 Cb -0.07 -2.31 0.06 0.00 0.01 0.00 0.00 42.46 40.16 3iss s ILE 347 CO 0.04 0.42 -0.01 -1.61 0.00 0.00 0.00 174.94 173.77 3iss s GLU 348 N 1.39 2.29 6.73 2.79 0.41 0.20 -4.97 118.70 127.54 3iss s GLU 348 Ca 0.04 -1.37 0.00 0.00 -0.41 0.00 0.00 54.97 53.23 3iss s GLU 348 Cb -0.14 -3.14 0.00 0.00 -1.78 0.00 0.00 34.13 29.07 3iss s GLU 348 CO -0.07 -0.66 0.00 0.45 -0.49 0.00 0.00 175.26 174.49 3iss n SER 349 N 4.55 0.00 -1.51 -0.19 2.88 -1.26 -1.46 113.62 116.63 3iss n SER 349 Ca -0.11 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.34 3iss n SER 349 Cb 0.43 0.00 0.21 0.00 -0.75 0.00 0.00 64.21 64.09 3iss n SER 349 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 3iss n ASN 350 N 9.36 3.12 -4.09 -3.46 0.23 -1.26 -4.93 115.26 114.23 3iss n ASN 350 Ca 0.00 -3.63 -0.26 0.00 -0.53 0.00 0.00 54.58 50.16 3iss n ASN 350 Cb 0.00 -0.70 -0.16 0.00 -2.08 0.00 0.00 39.78 36.84 3iss n ASN 350 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 3iss s THR 351 N -3.21 1.35 -0.22 5.53 2.01 -0.53 -1.45 115.64 119.12 3iss s THR 351 Ca 0.49 -0.64 -0.10 0.00 0.31 0.00 0.00 61.69 61.75 3iss s THR 351 Cb 0.43 -1.19 -0.05 0.00 0.01 0.00 0.00 72.50 71.70 3iss s THR 351 CO 0.05 0.40 0.13 0.54 -0.69 0.00 0.00 174.62 175.04 3iss s VAL 352 N 0.33 5.21 -0.33 3.82 0.11 -0.35 -0.63 120.40 128.55 3iss s VAL 352 Ca -0.10 0.12 -0.13 0.00 -2.93 0.00 0.00 61.98 58.95 3iss s VAL 352 Cb -0.14 -3.40 -0.02 0.00 -1.53 0.00 0.00 36.38 31.29 3iss s VAL 352 CO 0.04 0.40 0.23 -0.63 -3.33 0.00 0.00 175.10 171.81 3iss s ILE 353 N 0.73 5.27 -0.10 7.04 1.01 0.11 -1.43 121.20 133.83 3iss s ILE 353 Ca 0.07 -0.19 -0.03 0.00 0.00 0.00 0.00 60.65 60.50 3iss s ILE 353 Cb -0.13 -3.69 -0.03 0.00 0.01 0.00 0.00 42.46 38.62 3iss s ILE 353 CO 0.02 0.01 0.00 0.00 0.00 0.00 0.00 174.94 174.97 3iss s HIS 355 N -0.60 3.52 0.27 0.00 3.76 -0.60 -1.83 115.29 119.81 3iss s HIS 355 Ca 0.10 -2.79 -0.31 0.00 -0.15 0.00 0.00 55.06 51.92 3iss s HIS 355 Cb -0.12 -2.66 -0.12 0.00 1.11 0.00 0.00 32.58 30.80 3iss s HIS 355 CO 0.02 -0.93 1.65 0.20 -0.85 0.00 0.00 174.74 174.83 3iss s GLY 356 N 0.99 1.78 0.32 -2.22 0.00 -0.73 -4.26 107.32 103.21 3iss s GLY 356 Ca 0.07 1.60 0.08 0.00 0.00 0.00 0.00 44.72 46.47 3iss s GLY 356 CO -0.09 2.69 0.25 -1.34 0.00 0.00 0.00 173.10 174.61 3iss s VAL 357 N 0.41 3.59 0.04 1.40 -7.23 -0.40 -4.68 120.40 113.53 3iss s VAL 357 Ca 0.68 -1.44 -0.19 0.00 -1.81 0.00 0.00 61.98 59.22 3iss s VAL 357 Cb -0.49 -3.18 -0.17 0.00 0.56 0.00 0.00 36.38 33.11 3iss s VAL 357 CO 0.43 -0.21 1.25 -0.08 -0.31 0.00 0.00 175.10 176.18 3iss h GLU 358 N 1.35 0.46 -2.65 4.82 4.22 -1.87 -3.38 114.58 117.54 3iss h GLU 358 Ca -0.45 -0.34 -0.10 0.00 0.08 0.00 0.00 59.36 58.55 3iss h GLU 358 Cb 1.25 0.06 -0.21 0.00 0.50 0.00 0.00 28.75 30.35 3iss h GLU 358 CO 0.59 0.96 -0.13 -1.59 -2.18 0.00 0.00 179.01 176.67 3iss s LYS 359 N -3.82 0.73 0.50 1.92 -2.85 -1.26 -5.03 119.74 109.93 3iss s LYS 359 Ca -0.13 0.18 -0.01 0.00 -1.00 0.00 0.00 55.97 55.01 3iss s LYS 359 Cb 0.05 0.34 0.01 0.00 -2.06 0.00 0.00 37.83 36.17 3iss s LYS 359 CO 0.80 -0.18 0.74 -0.51 0.10 0.00 0.00 175.35 176.30 3iss s LEU 360 N -0.81 3.48 -0.07 2.77 1.43 -1.26 -4.96 118.68 119.26 3iss s LEU 360 Ca -0.09 0.33 0.05 0.00 -1.03 0.00 0.00 54.13 53.39 3iss s LEU 360 Cb -0.03 -3.19 -0.01 0.00 0.03 0.00 0.00 46.19 42.99 3iss s LEU 360 CO 0.05 -0.87 -0.22 -0.44 0.23 0.00 0.00 176.35 175.09 3iss s SER 361 N -4.28 3.27 0.47 2.29 0.01 0.63 0.23 113.70 116.32 3iss s SER 361 Ca 0.51 -0.47 -0.23 0.00 1.31 0.00 0.00 55.95 57.07 3iss s SER 361 Cb -0.10 -1.06 -0.09 0.00 0.21 0.00 0.00 66.02 64.99 3iss s SER 361 CO 0.40 0.23 1.06 0.61 0.41 0.00 0.00 173.24 175.95 3iss n GLY 362 N 3.09 -0.04 3.82 3.44 0.00 -0.76 -4.37 105.19 110.36 3iss n GLY 362 Ca -0.18 0.07 -0.05 0.00 0.00 0.00 0.00 46.02 45.86 3iss n GLY 362 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iss s ALA 363 N -1.33 -1.31 -0.18 4.61 0.00 -1.08 -4.80 121.76 117.68 3iss s ALA 363 Ca 0.66 -0.33 -0.22 0.00 0.00 0.00 0.00 51.96 52.08 3iss s ALA 363 Cb -0.50 0.72 -0.02 0.00 0.00 0.00 0.00 23.12 23.31 3iss s ALA 363 CO 0.54 -1.03 0.67 -0.65 0.00 0.00 0.00 175.76 175.29 3iss s GLN 364 N -2.79 4.25 0.16 0.00 -0.21 -1.26 -1.92 119.66 117.89 3iss s GLN 364 Ca 0.16 0.72 0.05 0.00 0.02 0.00 0.00 55.36 56.31 3iss s GLN 364 Cb -0.04 -3.56 -0.04 0.00 1.00 0.00 0.00 33.01 30.37 3iss s GLN 364 CO 0.07 -0.22 -0.11 0.14 -2.12 0.00 0.00 175.29 173.05 3iss s VAL 365 N 1.82 1.28 -0.16 1.09 -7.23 0.25 -4.96 120.40 112.49 3iss s VAL 365 Ca 0.31 -2.09 0.01 0.00 -1.81 0.00 0.00 61.98 58.40 3iss s VAL 365 Cb -0.16 -1.90 0.01 0.00 0.56 0.00 0.00 36.38 34.89 3iss s VAL 365 CO 0.11 -0.71 -0.17 -0.32 -0.31 0.00 0.00 175.10 173.70 3iss s MET 366 N -3.73 3.12 0.44 4.82 1.75 -1.26 -0.74 119.30 123.70 3iss s MET 366 Ca 0.18 -0.79 -0.22 0.00 -1.25 0.00 0.00 55.69 53.61 3iss s MET 366 Cb 0.02 -2.60 -0.09 0.00 2.84 0.00 0.00 34.83 35.00 3iss s MET 366 CO 0.02 -0.08 1.04 0.00 -0.65 0.00 0.00 175.02 175.35 3iss s ALA 367 N 1.02 2.97 0.00 4.11 0.00 -0.87 -4.95 121.76 124.04 3iss s ALA 367 Ca -0.02 0.64 0.00 0.00 0.00 0.00 0.00 51.96 52.59 3iss s ALA 367 Cb -0.15 -3.26 0.00 0.00 0.00 0.00 0.00 23.12 19.72 3iss s ALA 367 CO -0.05 -0.25 0.00 0.25 0.00 0.00 0.00 175.76 175.71 3iss n THR 368 N -0.55 0.00 -3.86 0.00 -2.24 -1.26 -4.85 114.28 101.52 3iss n THR 368 Ca 0.07 0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.58 3iss n THR 368 Cb 0.51 0.60 -0.17 0.00 -2.10 0.00 0.00 70.33 69.18 3iss n THR 368 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3iss s ASP 369 N 0.00 2.59 0.25 3.42 -1.08 -1.26 -5.02 116.67 115.57 3iss s ASP 369 Ca 0.00 -0.56 0.14 0.00 -0.52 0.00 0.00 52.55 51.61 3iss s ASP 369 Cb 0.00 -0.81 0.89 0.00 -1.46 0.00 0.00 42.92 41.54 3iss s ASP 369 CO 0.00 -0.19 1.05 -0.11 0.52 0.00 0.00 175.17 176.44 3iss n LEU 370 N 4.94 0.23 -0.06 -1.34 7.94 -1.26 -1.68 117.00 125.77 3iss n LEU 370 Ca -0.11 1.11 -0.10 0.00 -1.11 0.00 0.00 56.01 55.80 3iss n LEU 370 Cb 0.48 -0.54 -0.05 0.00 0.53 0.00 0.00 43.42 43.85 3iss n LEU 370 CO 0.15 -1.24 -0.88 0.54 -1.11 0.00 0.00 177.39 174.85 3iss n ARG 371 N -4.51 0.26 -0.14 1.96 5.12 -1.26 -4.16 116.66 113.93 3iss n ARG 371 Ca 0.25 0.09 0.03 0.00 -1.93 0.00 0.00 57.85 56.28 3iss n ARG 371 Cb 0.85 -1.08 0.32 0.00 -1.16 0.00 0.00 32.46 31.39 3iss n ARG 371 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3iss h ALA 372 N -0.20 1.58 0.00 7.54 0.00 -1.80 -2.65 119.26 123.74 3iss h ALA 372 Ca -0.27 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3iss h ALA 372 Cb 1.33 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3iss h ALA 372 CO -0.11 0.37 0.00 0.43 0.00 0.00 0.00 179.25 179.94 3iss n SER 373 N -4.45 0.22 0.23 0.00 7.64 -0.68 -1.68 113.62 114.90 3iss n SER 373 Ca 0.07 0.55 0.18 0.00 1.01 0.00 0.00 58.87 60.68 3iss n SER 373 Cb 0.07 -0.60 0.87 0.00 -1.01 0.00 0.00 64.21 63.54 3iss n SER 373 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3iss h ALA 374 N 2.45 1.67 0.00 -0.43 0.00 -1.70 -0.67 119.26 120.58 3iss h ALA 374 Ca 0.00 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 3iss h ALA 374 Cb 0.30 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3iss h ALA 374 CO 0.00 -0.30 -0.36 0.66 0.00 0.00 0.00 179.25 179.26 3iss h SER 375 N 0.00 0.00 -0.49 0.00 4.64 -1.54 -1.44 113.55 114.72 3iss h SER 375 Ca 0.07 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.26 3iss h SER 375 Cb 0.51 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.59 3iss h SER 375 CO -0.00 0.36 -0.21 -0.07 -0.87 0.00 0.00 176.83 176.03 3iss h LEU 376 N 0.00 1.03 -0.08 5.97 3.38 -1.33 0.19 115.31 124.48 3iss h LEU 376 Ca -0.00 -0.39 -0.00 0.00 0.09 0.00 0.00 57.88 57.57 3iss h LEU 376 Cb 0.71 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 3iss h LEU 376 CO 0.05 1.20 0.04 0.58 0.09 0.00 0.00 178.44 180.39 3iss h VAL 377 N 0.87 1.09 -0.62 1.22 2.07 -1.48 -1.41 116.25 117.99 3iss h VAL 377 Ca 0.11 -0.26 0.07 0.00 0.82 0.00 0.00 66.70 67.44 3iss h VAL 377 Cb 0.80 1.13 -0.06 0.00 -1.52 0.00 0.00 31.29 31.64 3iss h VAL 377 CO 0.07 0.08 0.30 -0.07 0.02 0.00 0.00 177.57 177.97 3iss h LEU 378 N 0.02 0.40 -0.91 2.57 4.07 -1.04 -1.06 115.31 119.35 3iss h LEU 378 Ca 0.03 0.05 0.03 0.00 0.08 0.00 0.00 57.88 58.07 3iss h LEU 378 Cb 0.09 -0.02 -0.05 0.00 1.08 0.00 0.00 40.66 41.76 3iss h LEU 378 CO -0.00 0.25 0.59 0.00 -1.08 0.00 0.00 178.44 178.19 3iss h ALA 379 N 1.37 1.20 -0.97 1.53 0.00 -0.40 -2.14 119.26 119.85 3iss h ALA 379 Ca 0.29 -0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.26 3iss h ALA 379 Cb 0.27 -0.32 -0.07 0.00 0.00 0.00 0.00 17.79 17.67 3iss h ALA 379 CO -0.23 0.45 0.62 0.78 0.00 0.00 0.00 179.25 180.87 3iss h GLY 380 N 1.14 1.50 1.92 0.00 0.00 -0.08 -0.58 103.07 106.97 3iss h GLY 380 Ca 0.36 -0.42 -0.05 0.00 0.00 0.00 0.00 47.33 47.23 3iss h GLY 380 CO -0.12 0.22 -0.18 0.00 0.00 0.00 0.00 176.54 176.46 3iss n ILE 382 N -4.28 0.00 -1.86 0.00 -5.35 -0.87 -1.37 119.36 105.62 3iss n ILE 382 Ca -0.02 -0.34 -0.31 0.00 -0.27 0.00 0.00 62.75 61.81 3iss n ILE 382 Cb 0.27 1.14 0.02 0.00 -1.74 0.00 0.00 39.64 39.33 3iss n ILE 382 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3iss s ALA 383 N -1.76 2.88 -0.54 -1.28 0.00 -0.28 -4.54 121.76 116.24 3iss s ALA 383 Ca 0.11 0.09 -0.28 0.00 0.00 0.00 0.00 51.96 51.87 3iss s ALA 383 Cb 0.11 -3.15 0.02 0.00 0.00 0.00 0.00 23.12 20.11 3iss s ALA 383 CO 0.37 -0.84 1.28 -2.00 0.00 0.00 0.00 175.76 174.56 3iss s GLU 384 N -4.80 3.49 0.00 0.00 2.56 0.14 -1.91 118.70 118.17 3iss s GLU 384 Ca 0.58 0.43 0.00 0.00 0.00 0.00 0.00 54.97 55.98 3iss s GLU 384 Cb -0.13 -4.03 0.00 0.00 2.00 0.00 0.00 34.13 31.97 3iss s GLU 384 CO 0.48 -1.70 0.00 0.41 -0.56 0.00 0.00 175.26 173.89 3iss n GLY 385 N 5.09 0.59 3.41 -1.50 0.00 0.06 -1.83 105.19 111.01 3iss n GLY 385 Ca 0.11 -1.74 -0.34 0.00 0.00 0.00 0.00 46.02 44.06 3iss n GLY 385 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3iss s THR 386 N 0.00 3.50 -0.08 2.61 2.01 -1.26 -0.90 115.64 121.52 3iss s THR 386 Ca 0.00 -0.49 0.04 0.00 0.31 0.00 0.00 61.69 61.55 3iss s THR 386 Cb 0.00 -2.53 -0.02 0.00 0.01 0.00 0.00 72.50 69.97 3iss s THR 386 CO 0.00 0.49 -0.19 -0.89 -0.69 0.00 0.00 174.62 173.34 3iss s THR 387 N 0.61 2.60 -0.24 -0.82 2.01 0.30 -2.64 115.64 117.46 3iss s THR 387 Ca -0.04 -0.86 -0.03 0.00 0.31 0.00 0.00 61.69 61.07 3iss s THR 387 Cb -0.15 -2.02 0.01 0.00 0.01 0.00 0.00 72.50 70.35 3iss s THR 387 CO 0.03 0.56 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.79 3iss s VAL 388 N -0.13 3.21 -0.45 3.82 1.01 -0.81 -0.28 120.40 126.77 3iss s VAL 388 Ca -0.03 -0.73 -0.16 0.00 0.00 0.00 0.00 61.98 61.06 3iss s VAL 388 Cb -0.14 -2.55 0.05 0.00 0.00 0.00 0.00 36.38 33.74 3iss s VAL 388 CO 0.04 0.30 0.37 -0.69 0.00 0.00 0.00 175.10 175.12 3iss s VAL 389 N 1.42 5.22 0.36 2.92 1.01 0.20 -0.58 120.40 130.94 3iss s VAL 389 Ca 0.03 -0.84 -0.25 0.00 0.00 0.00 0.00 61.98 60.92 3iss s VAL 389 Cb -0.15 -4.06 -0.10 0.00 0.00 0.00 0.00 36.38 32.07 3iss s VAL 389 CO -0.03 -0.48 0.97 -0.62 0.00 0.00 0.00 175.10 174.94 3iss s ASP 390 N 2.22 7.14 -0.22 3.32 -1.08 0.08 -1.60 116.67 126.52 3iss s ASP 390 Ca 0.05 1.87 -0.01 0.00 -0.52 0.00 0.00 52.55 53.94 3iss s ASP 390 Cb -0.22 -2.58 0.00 0.00 -1.46 0.00 0.00 42.92 38.67 3iss s ASP 390 CO 0.09 -0.21 0.18 -1.14 0.52 0.00 0.00 175.17 174.61 3iss n ARG 391 N 0.24 -1.26 0.00 4.34 0.63 -1.16 -2.05 116.66 117.40 3iss n ARG 391 Ca 0.03 0.14 0.06 0.00 -0.92 0.00 0.00 57.85 57.16 3iss n ARG 391 Cb 0.50 -3.09 0.34 0.00 0.45 0.00 0.00 32.46 30.66 3iss n ARG 391 CO 0.00 0.00 0.00 0.44 -2.51 0.00 0.00 177.63 175.56 3iss n ILE 392 N -2.96 0.00 0.25 5.15 -5.35 -1.23 -3.25 119.36 111.97 3iss n ILE 392 Ca -0.00 0.00 0.08 0.00 -0.27 0.00 0.00 62.75 62.56 3iss n ILE 392 Cb 0.51 -0.49 0.64 0.00 -1.74 0.00 0.00 39.64 38.56 3iss n ILE 392 CO 0.00 0.00 0.00 0.10 -1.76 0.00 0.00 176.55 174.89 3iss h TYR 393 N 0.00 0.00 0.04 4.28 -0.00 -1.90 0.96 116.97 120.34 3iss h TYR 393 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 58.73 58.75 3iss h TYR 393 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 36.71 3iss h TYR 393 CO 0.00 0.07 -0.13 0.45 -0.00 0.00 0.00 178.16 178.54 3iss h HIS 394 N 0.00 -0.34 -0.32 0.10 3.86 -1.92 -2.78 115.15 113.74 3iss h HIS 394 Ca -0.00 0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.20 3iss h HIS 394 Cb 0.12 0.15 -0.02 0.00 1.06 0.00 0.00 27.41 28.72 3iss h HIS 394 CO 0.00 -0.20 0.13 0.82 0.86 0.00 0.00 177.93 179.54 3iss h ILE 395 N -0.24 1.13 0.00 2.45 2.04 -1.09 -1.56 117.51 120.23 3iss h ILE 395 Ca 0.04 -0.39 -0.01 0.00 1.00 0.00 0.00 64.86 65.50 3iss h ILE 395 Cb 0.28 0.74 -0.00 0.00 -0.74 0.00 0.00 36.82 37.10 3iss h ILE 395 CO -0.11 0.15 -0.03 0.44 0.00 0.00 0.00 178.15 178.61 3iss h ASP 396 N 0.45 0.00 1.33 1.72 3.32 -1.04 -0.47 116.42 121.74 3iss h ASP 396 Ca 0.11 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.11 3iss h ASP 396 Cb 0.09 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 3iss h ASP 396 CO -0.01 0.03 -0.26 0.03 -1.72 0.00 0.00 179.24 177.30 3iss h ARG 397 N 0.00 0.00 0.00 3.56 3.08 -1.14 -2.33 114.38 117.56 3iss h ARG 397 Ca -0.00 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.91 3iss h ARG 397 Cb 0.18 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.20 3iss h ARG 397 CO 0.00 0.26 -1.61 0.41 -1.07 0.00 0.00 179.97 177.97 3iss n GLY 398 N 0.69 -0.46 3.10 0.04 0.00 -0.30 -3.68 105.19 104.58 3iss n GLY 398 Ca 0.02 -0.17 -0.23 0.00 0.00 0.00 0.00 46.02 45.63 3iss n GLY 398 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3iss s TYR 399 N -2.31 1.37 -0.51 1.61 2.02 -0.50 -4.94 117.35 114.09 3iss s TYR 399 Ca -0.04 -0.32 -0.29 0.00 -0.37 0.00 0.00 57.07 56.05 3iss s TYR 399 Cb 0.03 -0.91 0.03 0.00 -0.40 0.00 0.00 41.96 40.71 3iss s TYR 399 CO 0.39 -0.08 1.22 -2.00 -1.57 0.00 0.00 175.55 173.52 3iss s GLU 400 N -0.14 3.59 -0.89 -0.62 2.12 -1.26 -4.37 118.70 117.13 3iss s GLU 400 Ca 0.01 0.51 -0.07 0.00 0.36 0.00 0.00 54.97 55.78 3iss s GLU 400 Cb -0.08 -3.98 0.01 0.00 0.26 0.00 0.00 34.13 30.33 3iss s GLU 400 CO 0.00 -1.56 0.65 0.54 -0.54 0.00 0.00 175.26 174.35 3iss n ARG 401 N 8.16 -1.30 0.17 4.30 1.74 -1.26 -4.87 116.66 123.59 3iss n ARG 401 Ca 0.12 0.76 0.02 0.00 -0.77 0.00 0.00 57.85 57.98 3iss n ARG 401 Cb 0.49 -3.09 0.29 0.00 -1.02 0.00 0.00 32.46 29.13 3iss n ARG 401 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 3iss h ILE 402 N -0.63 1.25 -0.07 0.55 2.10 -1.95 -3.01 117.51 115.75 3iss h ILE 402 Ca -0.54 -1.65 -0.11 0.00 1.08 0.00 0.00 64.86 63.64 3iss h ILE 402 Cb 1.33 1.91 -0.01 0.00 -1.09 0.00 0.00 36.82 38.96 3iss h ILE 402 CO 0.39 0.46 -0.47 1.05 -1.08 0.00 0.00 178.15 178.49 3iss h GLU 403 N 0.00 0.16 -0.25 2.19 9.09 -1.97 -1.87 114.58 121.93 3iss h GLU 403 Ca -0.00 -0.09 -0.08 0.00 0.05 0.00 0.00 59.36 59.24 3iss h GLU 403 Cb 0.87 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.97 3iss h GLU 403 CO 0.06 0.61 -0.16 -0.44 0.05 0.00 0.00 179.01 179.12 3iss h ASP 404 N 0.13 0.57 -0.42 3.06 3.32 -1.90 -1.16 116.42 120.02 3iss h ASP 404 Ca 0.01 -0.43 -0.10 0.00 0.02 0.00 0.00 57.03 56.52 3iss h ASP 404 Cb 0.89 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 40.26 3iss h ASP 404 CO 0.07 0.88 -0.10 0.11 -1.72 0.00 0.00 179.24 178.48 3iss h LYS 405 N 0.26 0.87 -0.33 3.56 1.57 -1.54 -1.59 116.57 119.38 3iss h LYS 405 Ca 0.05 -0.30 -0.16 0.00 -1.87 0.00 0.00 60.65 58.37 3iss h LYS 405 Cb 0.69 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.92 3iss h LYS 405 CO 0.04 0.93 -0.42 -0.07 -0.57 0.00 0.00 179.45 179.36 3iss h LEU 406 N 0.79 0.90 -0.64 2.94 3.38 -1.30 -3.01 115.31 118.36 3iss h LEU 406 Ca 0.13 -0.43 -0.07 0.00 0.09 0.00 0.00 57.88 57.60 3iss h LEU 406 Cb 0.61 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 3iss h LEU 406 CO 0.04 1.20 0.11 -0.09 0.09 0.00 0.00 178.44 179.79 3iss h ARG 407 N 0.68 1.05 0.00 1.13 2.43 -1.08 -0.95 114.38 117.64 3iss h ARG 407 Ca 0.05 -0.28 0.00 0.00 -0.81 0.00 0.00 59.98 58.94 3iss h ARG 407 Cb 1.00 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.43 3iss h ARG 407 CO 0.10 0.97 0.00 0.00 -1.51 0.00 0.00 179.97 179.53 3iss n ALA 408 N -2.45 1.45 0.28 2.80 0.00 -0.61 -0.97 120.51 121.02 3iss n ALA 408 Ca 0.04 -0.02 0.05 0.00 0.00 0.00 0.00 53.44 53.51 3iss n ALA 408 Cb 0.28 -1.08 0.07 0.00 0.00 0.00 0.00 19.45 18.72 3iss n ALA 408 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3iss n LEU 409 N -1.26 2.17 0.00 0.00 4.77 -0.47 -4.70 117.00 117.51 3iss n LEU 409 Ca 0.03 -1.27 0.00 0.00 -0.03 0.00 0.00 56.01 54.74 3iss n LEU 409 Cb 0.04 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 3iss n LEU 409 CO 0.04 0.46 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 3iss n GLY 410 N 0.57 0.85 3.76 -0.72 0.00 -0.14 -1.31 105.19 108.21 3iss n GLY 410 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 3iss n GLY 410 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iss s ALA 411 N -2.00 3.39 -0.70 4.61 0.00 -0.56 -4.79 121.76 121.71 3iss s ALA 411 Ca 0.00 1.01 -0.17 0.00 0.00 0.00 0.00 51.96 52.80 3iss s ALA 411 Cb 0.00 -3.38 0.15 0.00 0.00 0.00 0.00 23.12 19.89 3iss s ALA 411 CO 0.00 -0.35 0.74 1.21 0.00 0.00 0.00 175.76 177.36 3iss s ASN 412 N -0.82 6.43 -0.03 0.00 3.84 -1.26 -4.40 114.94 118.71 3iss s ASN 412 Ca 0.48 -2.01 -0.02 0.00 0.21 0.00 0.00 52.86 51.52 3iss s ASN 412 Cb -0.34 -2.26 0.01 0.00 -0.55 0.00 0.00 41.25 38.11 3iss s ASN 412 CO 0.44 -0.88 0.06 -0.51 -2.79 0.00 0.00 177.10 173.43 3iss s ILE 413 N 1.62 -0.01 0.00 -5.21 2.07 -1.26 -0.78 121.20 117.64 3iss s ILE 413 Ca 0.15 0.05 0.00 0.00 -1.41 0.00 0.00 60.65 59.44 3iss s ILE 413 Cb -0.18 -0.10 -0.00 0.00 0.13 0.00 0.00 42.46 42.30 3iss s ILE 413 CO -0.02 0.02 -0.02 -0.70 -1.91 0.00 0.00 174.94 172.32 3iss s GLU 414 N 0.28 0.13 -0.38 3.50 2.12 0.10 -4.99 118.70 119.46 3iss s GLU 414 Ca -0.02 -0.12 -0.16 0.00 0.36 0.00 0.00 54.97 55.03 3iss s GLU 414 Cb -0.03 -0.08 0.00 0.00 0.26 0.00 0.00 34.13 34.29 3iss s GLU 414 CO -0.01 0.02 0.38 0.50 -0.54 0.00 0.00 175.26 175.61 3iss s ARG 415 N -0.21 3.33 0.30 4.30 3.52 -1.26 -0.59 118.95 128.33 3iss s ARG 415 Ca -0.01 -0.61 0.09 0.00 -0.13 0.00 0.00 55.73 55.06 3iss s ARG 415 Cb -0.02 -3.88 -0.04 0.00 -1.56 0.00 0.00 34.95 29.45 3iss s ARG 415 CO -0.00 -0.67 0.10 0.14 -0.81 0.00 0.00 175.30 174.06 3iss s VAL 416 N 2.02 3.44 -0.42 7.11 -7.23 -0.61 -4.95 120.40 119.76 3iss s VAL 416 Ca 0.11 -1.72 0.04 0.00 -1.81 0.00 0.00 61.98 58.60 3iss s VAL 416 Cb -0.17 -3.00 0.45 0.00 0.56 0.00 0.00 36.38 34.22 3iss s VAL 416 CO 0.12 -0.29 1.47 0.29 -0.31 0.00 0.00 175.10 176.38 3iss n LYS 417 N -1.06 3.31 0.00 4.82 4.76 -1.26 -1.59 118.16 127.14 3iss n LYS 417 Ca -0.05 -3.89 0.00 0.00 -2.87 0.00 0.00 58.31 51.50 3iss n LYS 417 Cb 0.60 -2.28 0.00 0.00 -1.84 0.00 0.00 35.03 31.51 3iss n LYS 417 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44