#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 4.07 0.05 7.83 1.11 -1.26 -4.10 116.67 124.36 3iss s ASP 2 Ca 0.00 2.32 -0.02 0.00 0.18 0.00 0.00 52.55 55.03 3iss s ASP 2 Cb 0.00 -2.58 -0.03 0.00 1.07 0.00 0.00 42.92 41.38 3iss s ASP 2 CO 0.00 -2.34 0.01 -0.54 1.18 0.00 0.00 175.17 173.48 3iss s LYS 3 N -4.02 0.57 -0.19 8.23 1.02 -0.59 -3.01 119.74 121.75 3iss s LYS 3 Ca 0.73 -1.00 -0.07 0.00 0.02 0.00 0.00 55.97 55.66 3iss s LYS 3 Cb -0.28 0.21 -0.04 0.00 -0.52 0.00 0.00 37.83 37.20 3iss s LYS 3 CO 0.47 -0.12 0.04 -0.06 -0.92 0.00 0.00 175.35 174.76 3iss s PHE 4 N -3.23 3.16 -0.23 3.18 0.08 -0.67 -1.33 117.98 118.95 3iss s PHE 4 Ca 0.00 -0.13 -0.11 0.00 0.12 0.00 0.00 56.93 56.82 3iss s PHE 4 Cb 0.03 -2.10 -0.05 0.00 -0.57 0.00 0.00 43.02 40.33 3iss s PHE 4 CO -0.07 -0.02 0.18 0.50 -0.10 0.00 0.00 175.22 175.70 3iss s ARG 5 N 0.69 4.11 -0.04 0.44 3.52 0.74 -0.65 118.95 127.76 3iss s ARG 5 Ca 0.02 -0.21 0.05 0.00 -0.13 0.00 0.00 55.73 55.46 3iss s ARG 5 Cb -0.14 -3.51 -0.01 0.00 -1.56 0.00 0.00 34.95 29.73 3iss s ARG 5 CO 0.02 0.10 -0.18 0.08 -0.81 0.00 0.00 175.30 174.51 3iss s VAL 6 N 0.93 1.49 -0.14 7.11 1.01 0.75 -0.76 120.40 130.80 3iss s VAL 6 Ca 0.09 -0.77 0.01 0.00 0.00 0.00 0.00 61.98 61.31 3iss s VAL 6 Cb -0.13 -1.27 -0.00 0.00 0.00 0.00 0.00 36.38 34.98 3iss s VAL 6 CO 0.03 0.43 -0.16 -1.10 0.00 0.00 0.00 175.10 174.30 3iss s GLN 7 N -0.11 3.22 0.35 2.72 -1.52 -0.38 -0.63 119.66 123.31 3iss s GLN 7 Ca -0.01 -0.76 0.01 0.00 -1.95 0.00 0.00 55.36 52.66 3iss s GLN 7 Cb -0.10 -2.56 -0.00 0.00 -0.22 0.00 0.00 33.01 30.12 3iss s GLN 7 CO 0.01 0.09 0.42 0.41 -0.25 0.00 0.00 175.29 175.98 3iss n GLY 8 N 3.83 2.37 3.83 3.09 0.00 -0.06 -4.25 105.19 113.99 3iss n GLY 8 Ca -0.19 -1.71 -0.31 0.00 0.00 0.00 0.00 46.02 43.80 3iss n GLY 8 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3iss s PRO 9 N -3.00 3.26 -0.16 1.61 0.04 -0.53 -0.56 135.00 135.66 3iss s PRO 9 Ca 0.33 0.96 -0.13 0.00 0.04 0.00 0.00 61.00 62.19 3iss s PRO 9 Cb 0.00 -2.03 0.04 0.00 0.04 0.00 0.00 34.50 32.55 3iss s PRO 9 CO 0.24 -0.84 0.41 -0.08 0.04 0.00 0.00 177.00 176.76 3iss s THR 10 N -2.92 -0.00 -0.30 1.26 -1.32 -0.62 -4.99 115.64 106.75 3iss s THR 10 Ca 0.58 0.02 -0.14 0.00 -1.21 0.00 0.00 61.69 60.94 3iss s THR 10 Cb -0.13 -0.58 -0.03 0.00 -1.51 0.00 0.00 72.50 70.25 3iss s THR 10 CO 0.49 0.01 0.34 -0.75 -2.21 0.00 0.00 174.62 172.50 3iss s LYS 11 N 0.42 3.83 -0.33 7.08 2.20 -1.26 -4.57 119.74 127.12 3iss s LYS 11 Ca -0.02 -0.18 -0.24 0.00 -0.36 0.00 0.00 55.97 55.17 3iss s LYS 11 Cb -0.04 -3.71 0.01 0.00 -1.51 0.00 0.00 37.83 32.57 3iss s LYS 11 CO -0.02 -0.36 0.83 -0.51 -0.36 0.00 0.00 175.35 174.94 3iss s LEU 12 N 2.01 4.07 0.07 5.43 1.43 -1.26 -4.71 118.68 125.72 3iss s LEU 12 Ca 0.13 0.63 -0.14 0.00 -1.03 0.00 0.00 54.13 53.72 3iss s LEU 12 Cb -0.16 -3.14 0.02 0.00 0.03 0.00 0.00 46.19 42.94 3iss s LEU 12 CO 0.11 -0.69 0.31 0.00 0.23 0.00 0.00 176.35 176.31 3iss s GLN 13 N 3.11 0.88 0.00 1.70 -2.07 -0.49 -3.10 119.66 119.69 3iss s GLN 13 Ca 0.34 -0.61 0.00 0.00 -1.82 0.00 0.00 55.36 53.28 3iss s GLN 13 Cb -0.13 0.38 0.00 0.00 -1.09 0.00 0.00 33.01 32.16 3iss s GLN 13 CO 0.14 -0.30 0.00 0.41 -1.32 0.00 0.00 175.29 174.23 3iss n GLY 14 N 0.31 0.40 3.27 2.60 0.00 -0.35 -4.44 105.19 106.97 3iss n GLY 14 Ca -0.17 -1.68 -0.15 0.00 0.00 0.00 0.00 46.02 44.02 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 -1.10 1.28 -0.07 1.61 -1.05 -1.26 -1.61 118.70 116.50 3iss s GLU 15 Ca 0.00 -1.67 -0.11 0.00 -0.15 0.00 0.00 54.97 53.04 3iss s GLU 15 Cb 0.00 -0.16 0.02 0.00 -0.44 0.00 0.00 34.13 33.55 3iss s GLU 15 CO 0.00 -0.26 0.29 0.54 0.95 0.00 0.00 175.26 176.77 3iss s VAL 16 N -3.80 0.02 -0.24 1.83 0.11 -0.40 -4.83 120.40 113.10 3iss s VAL 16 Ca 0.34 -0.20 -0.12 0.00 -2.93 0.00 0.00 61.98 59.07 3iss s VAL 16 Cb 0.07 -0.48 -0.05 0.00 -1.53 0.00 0.00 36.38 34.40 3iss s VAL 16 CO 0.10 -0.11 0.23 -0.89 -3.33 0.00 0.00 175.10 171.10 3iss s THR 17 N -0.41 5.31 0.09 5.04 2.01 -1.26 -0.17 115.64 126.24 3iss s THR 17 Ca -0.05 0.32 -0.30 0.00 0.31 0.00 0.00 61.69 61.96 3iss s THR 17 Cb -0.04 -3.57 -0.06 0.00 0.01 0.00 0.00 72.50 68.85 3iss s THR 17 CO 0.02 0.30 1.09 -0.63 -0.69 0.00 0.00 174.62 174.70 3iss s ILE 18 N 1.27 4.24 0.82 1.82 -1.09 0.38 -4.94 121.20 123.69 3iss s ILE 18 Ca 0.10 1.72 -0.12 0.00 -2.23 0.00 0.00 60.65 60.13 3iss s ILE 18 Cb -0.14 -4.10 0.08 0.00 -1.58 0.00 0.00 42.46 36.72 3iss s ILE 18 CO 0.06 0.20 1.15 -0.44 -1.23 0.00 0.00 174.94 174.69 3iss s SER 19 N 0.56 4.41 0.64 3.58 0.01 -1.26 -4.84 113.70 116.80 3iss s SER 19 Ca 0.53 0.90 -0.17 0.00 1.31 0.00 0.00 55.95 58.52 3iss s SER 19 Cb -0.27 -1.46 -0.01 0.00 0.21 0.00 0.00 66.02 64.49 3iss s SER 19 CO 0.31 -1.98 1.17 -0.83 0.41 0.00 0.00 173.24 172.31 3iss s GLY 20 N -4.39 2.44 -0.19 3.44 0.00 -1.23 -1.68 107.32 105.71 3iss s GLY 20 Ca 0.62 0.80 -0.29 0.00 0.00 0.00 0.00 44.72 45.85 3iss s GLY 20 CO 0.51 1.18 1.78 0.00 0.00 0.00 0.00 173.10 176.57 3iss s ALA 21 N -1.95 3.21 0.23 3.20 0.00 0.33 -4.34 121.76 122.44 3iss s ALA 21 Ca 0.73 0.64 -0.06 0.00 0.00 0.00 0.00 51.96 53.26 3iss s ALA 21 Cb -0.26 -3.90 0.41 0.00 0.00 0.00 0.00 23.12 19.37 3iss s ALA 21 CO 0.38 -2.07 1.69 -0.22 0.00 0.00 0.00 175.76 175.54 3iss h LYS 22 N 11.54 0.27 -0.08 0.00 3.64 -1.90 -0.27 116.57 129.77 3iss h LYS 22 Ca -0.37 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.99 3iss h LYS 22 Cb 1.18 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 3iss h LYS 22 CO 0.99 0.18 0.00 0.09 -2.27 0.00 0.00 179.45 178.44 3iss n ASN 23 N -5.14 0.57 -0.12 4.20 3.02 -1.26 -1.90 115.26 114.63 3iss n ASN 23 Ca 0.13 -1.71 -0.19 0.00 -0.03 0.00 0.00 54.58 52.77 3iss n ASN 23 Cb 0.41 -0.05 -0.10 0.00 -0.61 0.00 0.00 39.78 39.44 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 -0.32 1.49 -0.14 5.41 0.00 -0.56 -4.46 120.51 121.93 3iss n ALA 24 Ca 0.10 -0.96 -0.03 0.00 0.00 0.00 0.00 53.44 52.55 3iss n ALA 24 Cb 0.13 0.05 0.04 0.00 0.00 0.00 0.00 19.45 19.67 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 -0.30 0.39 0.28 0.00 0.00 -0.91 -2.28 119.26 116.45 3iss h ALA 25 Ca -0.54 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 3iss h ALA 25 Cb 1.69 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 19.74 3iss h ALA 25 CO -0.18 -0.41 -0.18 -0.07 0.00 0.00 0.00 179.25 178.41 3iss h LEU 26 N 0.08 -0.45 -1.28 0.00 4.07 -1.63 -0.22 115.31 115.87 3iss h LEU 26 Ca 0.23 0.03 -0.06 0.00 0.08 0.00 0.00 57.88 58.16 3iss h LEU 26 Cb 0.34 0.14 -0.01 0.00 1.08 0.00 0.00 40.66 42.21 3iss h LEU 26 CO -0.41 -0.29 -0.17 -0.65 -1.08 0.00 0.00 178.44 175.85 3iss h PRO 27 N -0.45 0.28 -0.19 1.13 0.11 -1.76 -2.62 132.00 128.51 3iss h PRO 27 Ca -0.03 -0.08 -0.07 0.00 0.11 0.00 0.00 66.00 65.94 3iss h PRO 27 Cb 0.38 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 31.45 3iss h PRO 27 CO 0.02 0.45 -0.16 0.82 -0.21 0.00 0.00 178.00 178.93 3iss h ILE 28 N 0.27 1.33 -0.97 4.15 2.04 -1.14 -0.54 117.51 122.64 3iss h ILE 28 Ca 0.05 -1.29 0.12 0.00 1.00 0.00 0.00 64.86 64.73 3iss h ILE 28 Cb 0.46 1.76 -0.08 0.00 -0.74 0.00 0.00 36.82 38.22 3iss h ILE 28 CO 0.03 0.39 0.62 -0.07 0.00 0.00 0.00 178.15 179.12 3iss h LEU 29 N 0.10 0.88 -0.37 1.44 4.07 -0.90 -1.46 115.31 119.07 3iss h LEU 29 Ca 0.03 0.04 -0.16 0.00 0.08 0.00 0.00 57.88 57.88 3iss h LEU 29 Cb 0.68 -0.14 -0.02 0.00 1.08 0.00 0.00 40.66 42.27 3iss h LEU 29 CO 0.04 0.48 -0.74 -0.26 -1.08 0.00 0.00 178.44 176.88 3iss h PHE 30 N 0.95 0.00 0.00 1.13 0.04 -1.28 -3.01 116.94 114.76 3iss h PHE 30 Ca 0.48 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 61.23 3iss h PHE 30 Cb 0.50 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.64 3iss h PHE 30 CO -0.00 0.74 -0.10 0.00 -0.60 0.00 0.00 178.31 178.35 3iss h ALA 31 N 1.26 1.07 0.00 2.45 0.00 -0.15 -2.51 119.26 121.37 3iss h ALA 31 Ca -0.01 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3iss h ALA 31 Cb 1.39 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.16 3iss h ALA 31 CO 0.10 0.12 -0.06 0.00 0.00 0.00 0.00 179.25 179.41 3iss h ALA 32 N 1.90 1.17 0.00 0.00 0.00 -1.16 -1.28 119.26 119.89 3iss h ALA 32 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3iss h ALA 32 Cb 0.50 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3iss h ALA 32 CO 0.01 0.07 0.12 -0.07 0.00 0.00 0.00 179.25 179.38 3iss h LEU 33 N 0.00 0.00 0.00 0.00 3.38 -1.60 -0.83 115.31 116.26 3iss h LEU 33 Ca -0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 3iss h LEU 33 Cb 0.26 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 3iss h LEU 33 CO 0.01 0.00 -0.40 -0.07 0.09 0.00 0.00 178.44 178.07 3iss h LEU 34 N 0.00 0.00 -9.77 1.67 3.38 -1.45 -3.47 115.31 105.67 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 0.24 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.00 3iss h LEU 34 CO 0.00 0.31 0.46 0.00 0.09 0.00 0.00 178.44 179.30 3iss s ALA 35 N -3.06 3.39 -1.69 1.53 0.00 -0.32 -4.43 121.76 117.18 3iss s ALA 35 Ca 0.04 0.84 0.16 0.00 0.00 0.00 0.00 51.96 53.00 3iss s ALA 35 Cb 0.07 -3.32 0.06 0.00 0.00 0.00 0.00 23.12 19.93 3iss s ALA 35 CO 0.72 -0.12 0.91 0.39 0.00 0.00 0.00 175.76 177.67 3iss n GLU 36 N 1.47 1.48 -4.44 0.00 1.02 -0.37 -4.38 120.64 115.41 3iss n GLU 36 Ca -0.00 -1.12 -0.22 0.00 -0.02 0.00 0.00 57.16 55.80 3iss n GLU 36 Cb 0.45 -1.27 -0.10 0.00 -0.02 0.00 0.00 31.44 30.50 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 -1.56 1.58 0.64 3.49 0.41 -1.23 -4.73 118.70 117.30 3iss s GLU 37 Ca 0.16 -1.74 -0.18 0.00 -0.41 0.00 0.00 54.97 52.80 3iss s GLU 37 Cb 0.13 -1.52 -0.02 0.00 -1.78 0.00 0.00 34.13 30.94 3iss s GLU 37 CO 0.29 0.24 1.21 -2.30 -0.49 0.00 0.00 175.26 174.21 3iss n PRO 38 N -0.57 1.04 -4.02 0.39 -0.02 -1.26 -4.09 135.00 126.47 3iss n PRO 38 Ca -0.06 0.41 -0.12 0.00 -2.02 0.00 0.00 63.50 61.71 3iss n PRO 38 Cb 0.61 -2.45 -0.12 0.00 -0.02 0.00 0.00 33.50 31.52 3iss n PRO 38 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3iss s VAL 39 N -1.42 0.31 -0.16 -1.45 0.11 -0.10 -2.49 120.40 115.19 3iss s VAL 39 Ca 0.81 -0.82 0.00 0.00 -2.93 0.00 0.00 61.98 59.05 3iss s VAL 39 Cb -0.39 -0.39 0.03 0.00 -1.53 0.00 0.00 36.38 34.10 3iss s VAL 39 CO 0.42 -0.34 -0.13 -0.70 -3.33 0.00 0.00 175.10 171.02 3iss s GLU 40 N -1.22 2.25 -0.27 1.54 2.12 -0.14 -1.03 118.70 121.95 3iss s GLU 40 Ca -0.10 -0.60 -0.10 0.00 0.36 0.00 0.00 54.97 54.54 3iss s GLU 40 Cb -0.08 -2.15 -0.04 0.00 0.26 0.00 0.00 34.13 32.12 3iss s GLU 40 CO -0.00 -0.27 0.14 0.42 -0.54 0.00 0.00 175.26 175.02 3iss s ILE 41 N 1.48 4.96 0.21 -3.70 1.09 -0.29 -1.73 121.20 123.22 3iss s ILE 41 Ca 0.04 0.05 -0.00 0.00 -1.10 0.00 0.00 60.65 59.63 3iss s ILE 41 Cb -0.13 -3.34 -0.04 0.00 -1.06 0.00 0.00 42.46 37.88 3iss s ILE 41 CO -0.10 0.29 0.40 -1.10 -0.10 0.00 0.00 174.94 174.32 3iss s GLN 42 N 1.64 3.52 -1.06 2.79 -0.21 0.98 -0.62 119.66 126.70 3iss s GLN 42 Ca 0.07 -0.35 -0.07 0.00 0.02 0.00 0.00 55.36 55.03 3iss s GLN 42 Cb -0.15 -2.83 0.01 0.00 1.00 0.00 0.00 33.01 31.03 3iss s GLN 42 CO 0.08 0.39 0.92 -1.71 -2.12 0.00 0.00 175.29 172.85 3iss n ASN 43 N -0.74 -5.39 -4.72 5.90 5.15 -1.24 -1.93 115.26 112.30 3iss n ASN 43 Ca -0.05 -0.42 -0.39 0.00 -0.60 0.00 0.00 54.58 53.12 3iss n ASN 43 Cb 0.54 -4.03 -0.05 0.00 -0.53 0.00 0.00 39.78 35.71 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 -3.25 5.05 0.81 3.44 1.01 -1.25 -3.58 120.40 122.64 3iss s VAL 44 Ca 0.45 1.36 -0.11 0.00 0.00 0.00 0.00 61.98 63.69 3iss s VAL 44 Cb -0.20 -4.00 0.08 0.00 0.00 0.00 0.00 36.38 32.26 3iss s VAL 44 CO 0.57 0.28 1.09 -2.16 0.00 0.00 0.00 175.10 174.87 3iss s PRO 45 N 0.68 1.97 -0.78 2.72 0.04 -1.26 -4.87 135.00 133.49 3iss s PRO 45 Ca 0.35 0.99 -0.14 0.00 0.04 0.00 0.00 61.00 62.25 3iss s PRO 45 Cb -0.17 -1.88 0.21 0.00 0.04 0.00 0.00 34.50 32.69 3iss s PRO 45 CO 0.17 -1.79 0.72 0.15 0.04 0.00 0.00 177.00 176.29 3iss s LYS 46 N -4.95 3.49 0.15 4.56 1.02 -1.26 -4.90 119.74 117.86 3iss s LYS 46 Ca 0.62 -2.37 0.05 0.00 0.02 0.00 0.00 55.97 54.29 3iss s LYS 46 Cb -0.17 -4.39 -0.04 0.00 -0.52 0.00 0.00 37.83 32.71 3iss s LYS 46 CO 0.56 -1.29 -0.12 -0.51 -0.92 0.00 0.00 175.35 173.07 3iss s LEU 47 N 0.34 2.49 0.36 3.17 1.43 -1.26 -4.50 118.68 120.72 3iss s LEU 47 Ca 0.16 -0.95 0.07 0.00 -1.03 0.00 0.00 54.13 52.38 3iss s LEU 47 Cb -0.13 -0.45 0.71 0.00 0.03 0.00 0.00 46.19 46.35 3iss s LEU 47 CO -0.07 -0.25 1.91 0.50 0.23 0.00 0.00 176.35 178.66 3iss h LYS 48 N 2.99 0.39 -0.22 1.70 1.63 -1.61 -2.53 116.57 118.92 3iss h LYS 48 Ca -0.38 -0.08 -0.04 0.00 -0.85 0.00 0.00 60.65 59.31 3iss h LYS 48 Cb 1.20 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 32.75 3iss h LYS 48 CO 0.59 0.46 -0.03 -0.44 -3.45 0.00 0.00 179.45 176.58 3iss h ASP 49 N 0.38 0.30 -0.21 4.20 5.19 -1.82 0.66 116.42 125.12 3iss h ASP 49 Ca 0.08 -0.05 -0.14 0.00 -0.62 0.00 0.00 57.03 56.31 3iss h ASP 49 Cb 0.32 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 39.75 3iss h ASP 49 CO 0.01 0.38 -0.41 0.58 -3.12 0.00 0.00 179.24 176.68 3iss h VAL 50 N 0.32 1.32 -0.19 -1.35 2.07 -1.77 -2.35 116.25 114.31 3iss h VAL 50 Ca 0.07 -1.64 0.05 0.00 0.82 0.00 0.00 66.70 66.00 3iss h VAL 50 Cb 0.26 1.84 -0.05 0.00 -1.52 0.00 0.00 31.29 31.82 3iss h VAL 50 CO 0.01 0.51 -0.16 0.44 0.02 0.00 0.00 177.57 178.39 3iss h ASP 51 N 0.33 -0.50 -0.96 0.57 3.32 -1.02 -0.61 116.42 117.56 3iss h ASP 51 Ca 0.01 0.10 0.05 0.00 0.02 0.00 0.00 57.03 57.21 3iss h ASP 51 Cb 1.02 0.25 -0.06 0.00 0.22 0.00 0.00 39.33 40.75 3iss h ASP 51 CO 0.09 -0.20 0.62 0.74 -1.72 0.00 0.00 179.24 178.78 3iss h THR 52 N -0.17 1.11 -0.20 0.35 2.02 -0.90 0.11 112.91 115.25 3iss h THR 52 Ca 0.12 -0.39 -0.01 0.00 0.77 0.00 0.00 66.41 66.89 3iss h THR 52 Cb 0.34 -0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 66.60 3iss h THR 52 CO -0.29 0.21 0.07 0.28 0.37 0.00 0.00 175.52 176.16 3iss h SER 53 N 1.15 0.28 -0.18 4.18 0.02 -0.84 -1.95 113.55 116.22 3iss h SER 53 Ca 0.40 -0.18 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 3iss h SER 53 Cb 0.11 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 3iss h SER 53 CO -0.14 0.39 0.12 0.24 -1.14 0.00 0.00 176.83 176.30 3iss h MET 54 N 0.16 0.24 -0.87 3.45 2.07 -0.24 0.47 114.93 120.22 3iss h MET 54 Ca 0.07 -0.01 0.14 0.00 -2.07 0.00 0.00 59.70 57.82 3iss h MET 54 Cb 0.20 -0.05 -0.09 0.00 -1.87 0.00 0.00 31.60 29.78 3iss h MET 54 CO -0.00 0.16 0.47 -0.22 1.07 0.00 0.00 176.91 178.39 3iss h LYS 55 N 0.25 0.66 -0.08 1.72 1.63 -0.70 0.45 116.57 120.50 3iss h LYS 55 Ca 0.07 -0.04 -0.03 0.00 -0.85 0.00 0.00 60.65 59.80 3iss h LYS 55 Cb -0.03 -0.15 -0.00 0.00 -0.60 0.00 0.00 32.23 31.45 3iss h LYS 55 CO -0.01 0.44 -0.05 1.25 -3.45 0.00 0.00 179.45 177.62 3iss h LEU 56 N 0.68 0.19 -0.11 5.20 5.85 -0.53 -1.81 115.31 124.77 3iss h LEU 56 Ca 0.47 -0.43 0.04 0.00 0.84 0.00 0.00 57.88 58.80 3iss h LEU 56 Cb 0.63 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.55 3iss h LEU 56 CO -0.34 0.58 -0.21 -0.07 -0.34 0.00 0.00 178.44 178.06 3iss h LEU 57 N -0.20 -0.65 -0.42 2.25 4.07 -0.29 -1.41 115.31 118.65 3iss h LEU 57 Ca 0.02 0.11 0.08 0.00 0.08 0.00 0.00 57.88 58.16 3iss h LEU 57 Cb 0.51 0.29 -0.07 0.00 1.08 0.00 0.00 40.66 42.48 3iss h LEU 57 CO 0.01 -0.26 0.02 -1.28 -1.08 0.00 0.00 178.44 175.85 3iss h SER 58 N -0.28 -0.13 -0.57 -0.43 0.87 -0.96 -0.60 113.55 111.46 3iss h SER 58 Ca 0.09 0.09 0.14 0.00 -1.23 0.00 0.00 61.79 60.89 3iss h SER 58 Cb 0.41 0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 62.50 3iss h SER 58 CO -0.27 -0.03 0.40 -0.61 -0.53 0.00 0.00 176.83 175.78 3iss h GLN 59 N 0.13 0.15 0.00 2.24 4.15 -0.65 0.13 115.11 121.27 3iss h GLN 59 Ca 0.21 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.62 3iss h GLN 59 Cb 0.29 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 27.95 3iss h GLN 59 CO -0.33 0.10 0.00 1.28 -1.93 0.00 0.00 178.83 177.95 3iss n LEU 60 N -4.42 0.47 0.00 -2.39 4.77 -0.28 -4.81 117.00 110.33 3iss n LEU 60 Ca 0.10 0.55 0.00 0.00 -0.03 0.00 0.00 56.01 56.64 3iss n LEU 60 Cb 0.53 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 3iss n LEU 60 CO 0.35 -0.15 0.00 0.61 -1.33 0.00 0.00 177.39 176.87 3iss n GLY 61 N 1.20 1.05 3.85 -0.72 0.00 0.45 -2.03 105.19 108.99 3iss n GLY 61 Ca 0.06 0.00 -0.32 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 3.08 -0.32 4.61 0.00 -0.88 -3.92 121.76 122.33 3iss s ALA 62 Ca 0.00 0.09 -0.15 0.00 0.00 0.00 0.00 51.96 51.90 3iss s ALA 62 Cb 0.00 -3.11 -0.02 0.00 0.00 0.00 0.00 23.12 19.99 3iss s ALA 62 CO 0.00 -0.39 0.39 0.15 0.00 0.00 0.00 175.76 175.91 3iss s LYS 63 N -4.44 3.74 -0.02 0.00 3.01 0.60 -4.17 119.74 118.46 3iss s LYS 63 Ca 0.58 -0.21 0.04 0.00 -1.01 0.00 0.00 55.97 55.37 3iss s LYS 63 Cb -0.10 -3.75 -0.01 0.00 -1.01 0.00 0.00 37.83 32.96 3iss s LYS 63 CO 0.39 -0.45 -0.14 0.08 0.51 0.00 0.00 175.35 175.73 3iss s VAL 64 N 2.10 1.13 -0.28 3.17 1.01 -1.26 -0.10 120.40 126.16 3iss s VAL 64 Ca 0.14 -0.60 -0.12 0.00 0.00 0.00 0.00 61.98 61.40 3iss s VAL 64 Cb -0.16 -0.95 0.11 0.00 0.00 0.00 0.00 36.38 35.38 3iss s VAL 64 CO 0.11 0.32 0.64 -1.83 0.00 0.00 0.00 175.10 174.35 3iss s GLU 65 N -0.25 0.60 0.38 2.72 -1.05 -0.77 -5.01 118.70 115.32 3iss s GLU 65 Ca 0.04 1.34 0.08 0.00 -0.15 0.00 0.00 54.97 56.28 3iss s GLU 65 Cb -0.06 0.59 -0.06 0.00 -0.44 0.00 0.00 34.13 34.15 3iss s GLU 65 CO -0.00 -0.19 0.02 -0.98 0.95 0.00 0.00 175.26 175.06 3iss s ARG 66 N 2.44 2.00 0.00 -4.83 1.70 -1.26 -1.78 118.95 117.22 3iss s ARG 66 Ca -0.07 -1.93 0.00 0.00 -0.47 0.00 0.00 55.73 53.26 3iss s ARG 66 Cb -0.10 -1.79 0.00 0.00 -0.57 0.00 0.00 34.95 32.49 3iss s ARG 66 CO -0.19 0.03 0.00 -0.40 -1.08 0.00 0.00 175.30 173.67 3iss n ASP 67 N -0.97 0.00 -0.01 -2.89 5.68 -1.26 -5.00 116.55 112.10 3iss n ASP 67 Ca -0.04 0.00 0.04 0.00 -0.50 0.00 0.00 54.79 54.29 3iss n ASP 67 Cb 0.64 0.00 -0.08 0.00 -1.14 0.00 0.00 41.12 40.54 3iss n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3iss n GLY 68 N 2.56 -0.49 3.50 6.12 0.00 -1.26 -5.02 105.19 110.60 3iss n GLY 68 Ca 0.00 -0.25 -0.24 0.00 0.00 0.00 0.00 46.02 45.54 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 -3.33 2.72 -0.18 1.61 0.01 -1.26 -3.58 113.70 109.69 3iss s SER 69 Ca -0.04 -1.46 0.01 0.00 1.31 0.00 0.00 55.95 55.77 3iss s SER 69 Cb 0.06 0.06 0.01 0.00 0.21 0.00 0.00 66.02 66.36 3iss s SER 69 CO 0.44 -0.68 -0.18 -0.69 0.41 0.00 0.00 173.24 172.54 3iss s VAL 70 N -3.20 2.30 -0.21 3.43 1.01 0.21 -4.37 120.40 119.57 3iss s VAL 70 Ca 0.32 -0.87 -0.12 0.00 0.00 0.00 0.00 61.98 61.31 3iss s VAL 70 Cb 0.07 -1.97 -0.05 0.00 0.00 0.00 0.00 36.38 34.43 3iss s VAL 70 CO 0.15 0.52 0.23 -1.00 0.00 0.00 0.00 175.10 175.00 3iss s HIS 71 N 1.18 3.36 -0.10 5.22 3.76 -0.73 -1.13 115.29 126.85 3iss s HIS 71 Ca 0.02 0.38 0.02 0.00 -0.15 0.00 0.00 55.06 55.33 3iss s HIS 71 Cb -0.14 -2.32 0.01 0.00 1.11 0.00 0.00 32.58 31.25 3iss s HIS 71 CO -0.08 0.11 -0.15 0.42 -0.85 0.00 0.00 174.74 174.19 3iss s ILE 72 N 0.92 1.43 -0.32 0.60 1.01 -0.20 -1.85 121.20 122.81 3iss s ILE 72 Ca 0.11 -0.61 0.00 0.00 0.00 0.00 0.00 60.65 60.15 3iss s ILE 72 Cb -0.13 -1.31 0.07 0.00 0.01 0.00 0.00 42.46 41.10 3iss s ILE 72 CO 0.04 0.43 0.02 -0.62 0.00 0.00 0.00 174.94 174.80 3iss s ASP 73 N 0.91 4.82 -0.19 3.58 -1.08 0.86 -0.93 116.67 124.63 3iss s ASP 73 Ca -0.09 -1.61 0.16 0.00 -0.52 0.00 0.00 52.55 50.50 3iss s ASP 73 Cb -0.15 -1.68 0.61 0.00 -1.46 0.00 0.00 42.92 40.24 3iss s ASP 73 CO 0.00 -0.32 1.52 0.00 0.52 0.00 0.00 175.17 176.89 3iss n ALA 74 N 4.50 3.24 -0.15 3.66 0.00 -1.26 -0.29 120.51 130.21 3iss n ALA 74 Ca -0.08 -2.20 -0.11 0.00 0.00 0.00 0.00 53.44 51.05 3iss n ALA 74 Cb 0.42 -0.83 -0.01 0.00 0.00 0.00 0.00 19.45 19.04 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 2.43 0.86 -0.77 0.00 3.08 -1.85 -3.22 114.38 114.91 3iss h ARG 75 Ca 0.00 -0.33 -0.10 0.00 0.07 0.00 0.00 59.98 59.62 3iss h ARG 75 Cb 1.60 -0.05 -0.06 0.00 0.08 0.00 0.00 29.97 31.54 3iss h ARG 75 CO 0.30 0.97 0.13 -0.25 -1.07 0.00 0.00 179.97 180.05 3iss n ASP 76 N -4.26 4.31 -4.71 7.04 8.00 -1.26 -4.94 116.55 120.72 3iss n ASP 76 Ca -0.00 -2.83 -0.42 0.00 0.71 0.00 0.00 54.79 52.25 3iss n ASP 76 Cb 0.38 -0.67 -0.03 0.00 -0.02 0.00 0.00 41.12 40.78 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 -2.36 2.25 0.00 2.53 1.01 -1.22 -4.74 120.40 117.87 3iss s VAL 77 Ca 0.41 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.49 3iss s VAL 77 Cb 0.32 -3.06 0.00 0.00 0.00 0.00 0.00 36.38 33.64 3iss s VAL 77 CO 0.11 0.01 0.00 -0.46 0.00 0.00 0.00 175.10 174.76 3iss n ASN 78 N 4.42 0.00 -4.36 3.32 6.94 -0.86 -5.00 115.26 119.71 3iss n ASN 78 Ca 0.16 -0.58 -0.30 0.00 -0.02 0.00 0.00 54.58 53.84 3iss n ASN 78 Cb 0.36 0.00 -0.14 0.00 -2.36 0.00 0.00 39.78 37.64 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 2.18 -0.12 3.53 0.11 -0.91 -5.06 120.40 120.13 3iss s VAL 79 Ca 0.00 -1.52 0.17 0.00 -2.93 0.00 0.00 61.98 57.69 3iss s VAL 79 Cb 0.00 -1.89 0.41 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 1.47 0.00 -4.48 1.54 3.72 -1.26 -4.68 117.46 113.76 3iss n PHE 80 Ca -0.17 -1.08 -0.23 0.00 -0.05 0.00 0.00 57.45 55.92 3iss n PHE 80 Cb 0.52 -0.20 -0.16 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 0.64 3.49 0.48 0.00 0.00 -0.11 -4.89 121.76 121.37 3iss s ALA 82 Ca -0.12 -1.88 -0.20 0.00 0.00 0.00 0.00 51.96 49.76 3iss s ALA 82 Cb -0.15 -3.10 -0.08 0.00 0.00 0.00 0.00 23.12 19.79 3iss s ALA 82 CO 0.03 -1.72 1.04 -1.25 0.00 0.00 0.00 175.76 173.85 3iss s PRO 83 N 1.94 3.80 0.27 0.00 0.04 -1.26 -2.20 135.00 137.58 3iss s PRO 83 Ca 0.08 1.37 -0.02 0.00 0.04 0.00 0.00 61.00 62.47 3iss s PRO 83 Cb -0.21 -2.10 0.57 0.00 0.04 0.00 0.00 34.50 32.79 3iss s PRO 83 CO 0.09 -0.43 1.43 0.98 0.04 0.00 0.00 177.00 179.11 3iss n TYR 84 N -0.95 0.46 0.15 0.56 9.36 -1.26 -1.17 117.16 124.31 3iss n TYR 84 Ca 0.09 1.11 0.14 0.00 3.32 0.00 0.00 57.90 62.57 3iss n TYR 84 Cb 0.52 -1.11 0.70 0.00 -0.63 0.00 0.00 39.34 38.82 3iss n TYR 84 CO 0.00 0.00 0.00 -0.44 0.22 0.00 0.00 176.86 176.64 3iss h ASP 85 N 0.00 0.00 0.00 2.98 3.32 -2.00 -0.93 116.42 119.79 3iss h ASP 85 Ca 0.50 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 57.42 3iss h ASP 85 Cb 0.92 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.45 3iss h ASP 85 CO -0.90 0.00 -0.80 -0.07 -1.72 0.00 0.00 179.24 175.75 3iss h LEU 86 N 0.00 0.00 -0.93 1.55 4.07 -1.52 -3.37 115.31 115.11 3iss h LEU 86 Ca 0.11 -0.44 0.20 0.00 0.08 0.00 0.00 57.88 57.83 3iss h LEU 86 Cb 0.48 0.00 -0.11 0.00 1.08 0.00 0.00 40.66 42.11 3iss h LEU 86 CO -0.00 1.18 0.50 0.58 -1.08 0.00 0.00 178.44 179.62 3iss h VAL 87 N -1.00 0.62 0.00 1.22 2.07 -1.24 0.30 116.25 118.22 3iss h VAL 87 Ca -0.19 -0.21 -0.02 0.00 0.82 0.00 0.00 66.70 67.11 3iss h VAL 87 Cb 0.98 -0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 30.72 3iss h VAL 87 CO -0.12 0.11 -0.08 0.07 0.02 0.00 0.00 177.57 177.58 3iss h LYS 88 N 0.60 0.00 0.00 1.57 2.10 -1.35 -0.52 116.57 118.96 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 0.94 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.27 3iss h LYS 88 CO -0.43 0.08 -0.68 0.25 -2.00 0.00 0.00 179.45 176.66 3iss n THR 89 N -3.73 0.25 -3.15 0.07 -2.24 0.10 -4.77 114.28 100.81 3iss n THR 89 Ca -0.02 -0.21 0.04 0.00 -2.27 0.00 0.00 64.05 61.58 3iss n THR 89 Cb 0.18 0.01 -0.00 0.00 -2.10 0.00 0.00 70.33 68.42 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 -3.14 0.52 0.13 -0.78 -2.45 -0.22 -5.03 119.30 108.33 3iss s MET 90 Ca 0.07 0.52 0.12 0.00 -1.25 0.00 0.00 55.69 55.15 3iss s MET 90 Cb 0.14 0.24 0.58 0.00 1.25 0.00 0.00 34.83 37.04 3iss s MET 90 CO 0.73 -0.97 1.37 2.89 1.05 0.00 0.00 175.02 180.09 3iss n ARG 91 N 5.39 0.07 0.21 4.11 1.85 -1.15 -1.50 116.66 125.64 3iss n ARG 91 Ca 0.05 0.48 0.15 0.00 -1.00 0.00 0.00 57.85 57.53 3iss n ARG 91 Cb 0.54 -1.68 0.64 0.00 -1.05 0.00 0.00 32.46 30.92 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 2.13 1.00 -0.79 2.89 0.00 -1.96 -2.68 119.26 119.85 3iss h ALA 92 Ca 0.00 0.00 0.23 0.00 0.00 0.00 0.00 54.91 55.14 3iss h ALA 92 Cb 0.10 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 3iss h ALA 92 CO 0.00 0.00 0.65 0.77 0.00 0.00 0.00 179.25 180.67 3iss h SER 93 N 0.00 0.00 -0.76 0.00 0.02 -1.60 -0.37 113.55 110.83 3iss h SER 93 Ca 0.00 0.00 0.22 0.00 -0.84 0.00 0.00 61.79 61.17 3iss h SER 93 Cb 0.33 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.84 3iss h SER 93 CO 0.00 0.00 0.67 -0.29 -1.14 0.00 0.00 176.83 176.07 3iss h ILE 94 N 0.00 0.38 0.00 3.27 6.09 -1.73 0.01 117.51 125.52 3iss h ILE 94 Ca 0.38 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.87 3iss h ILE 94 Cb 1.68 0.50 0.00 0.00 0.47 0.00 0.00 36.82 39.46 3iss h ILE 94 CO -0.00 0.00 0.00 0.79 -3.07 0.00 0.00 178.15 175.87 3iss n TRP 95 N -3.88 0.08 0.05 2.19 8.01 -0.15 -1.92 117.44 121.82 3iss n TRP 95 Ca 0.16 0.04 -0.06 0.00 -1.31 0.00 0.00 57.50 56.32 3iss n TRP 95 Cb 0.94 -0.56 0.11 0.00 -2.01 0.00 0.00 31.31 29.78 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 2.07 0.82 -0.39 6.99 0.00 -1.22 -3.34 119.26 124.19 3iss h ALA 96 Ca 0.00 -0.51 0.05 0.00 0.00 0.00 0.00 54.91 54.45 3iss h ALA 96 Cb 0.04 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 17.66 3iss h ALA 96 CO 0.00 0.69 -0.53 1.25 0.00 0.00 0.00 179.25 180.67 3iss h LEU 97 N 0.29 -1.75 0.19 0.00 5.85 -1.60 -2.70 115.31 115.58 3iss h LEU 97 Ca 0.00 0.24 0.01 0.00 0.84 0.00 0.00 57.88 58.97 3iss h LEU 97 Cb 1.06 0.72 -0.04 0.00 0.37 0.00 0.00 40.66 42.77 3iss h LEU 97 CO 0.09 -0.40 -0.52 1.23 -0.34 0.00 0.00 178.44 178.50 3iss h GLY 98 N -0.39 -1.14 0.82 3.75 0.00 -1.78 -2.19 103.07 102.13 3iss h GLY 98 Ca 0.09 0.62 0.04 0.00 0.00 0.00 0.00 47.33 48.08 3iss h GLY 98 CO -0.58 -0.29 0.39 -2.55 0.00 0.00 0.00 176.54 173.51 3iss h PRO 99 N -0.79 0.73 -0.44 4.80 0.11 -1.74 -1.26 132.00 133.40 3iss h PRO 99 Ca -0.01 -0.04 0.07 0.00 0.11 0.00 0.00 66.00 66.13 3iss h PRO 99 Cb 0.78 -0.16 -0.06 0.00 0.11 0.00 0.00 31.00 31.66 3iss h PRO 99 CO -0.25 0.48 0.08 -0.07 -0.21 0.00 0.00 178.00 178.04 3iss h LEU 100 N 0.75 -0.00 -0.57 2.35 3.38 -1.18 -0.25 115.31 119.78 3iss h LEU 100 Ca 0.27 0.08 -0.16 0.00 0.09 0.00 0.00 57.88 58.16 3iss h LEU 100 Cb 0.07 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 3iss h LEU 100 CO -0.13 0.03 -0.58 0.58 0.09 0.00 0.00 178.44 178.44 3iss h VAL 101 N 0.21 1.35 -0.43 1.22 2.07 -1.08 -0.12 116.25 119.47 3iss h VAL 101 Ca 0.22 -1.87 -0.04 0.00 0.82 0.00 0.00 66.70 65.82 3iss h VAL 101 Cb 0.27 1.87 -0.02 0.00 -1.52 0.00 0.00 31.29 31.90 3iss h VAL 101 CO -0.29 0.57 0.11 0.00 0.02 0.00 0.00 177.57 177.98 3iss h ALA 102 N 1.05 0.57 0.12 1.67 0.00 -0.58 -2.42 119.26 119.67 3iss h ALA 102 Ca -0.00 -0.19 -0.36 0.00 0.00 0.00 0.00 54.91 54.36 3iss h ALA 102 Cb 1.11 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 3iss h ALA 102 CO 0.10 0.25 -1.95 -2.13 0.00 0.00 0.00 179.25 175.51 3iss n ARG 103 N -4.53 0.76 0.00 0.00 0.63 -0.17 -4.50 116.66 108.84 3iss n ARG 103 Ca 0.00 0.28 0.05 0.00 -0.92 0.00 0.00 57.85 57.26 3iss n ARG 103 Cb 0.21 -1.72 0.01 0.00 0.45 0.00 0.00 32.46 31.41 3iss n ARG 103 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 3iss n PHE 104 N -3.53 0.00 -0.93 -0.14 3.72 -0.07 -4.99 117.46 111.53 3iss n PHE 104 Ca -0.32 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.08 3iss n PHE 104 Cb 1.03 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.57 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 0.84 0.73 3.29 1.37 0.00 -0.91 -4.99 105.19 105.52 3iss n GLY 105 Ca 0.05 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.22 1.03 -0.29 1.61 -2.07 -1.25 -1.27 119.66 117.19 3iss s GLN 106 Ca 0.00 -1.00 -0.22 0.00 -1.82 0.00 0.00 55.36 52.33 3iss s GLN 106 Cb 0.00 0.39 0.18 0.00 -1.09 0.00 0.00 33.01 32.49 3iss s GLN 106 CO 0.00 -0.37 1.29 0.20 -1.32 0.00 0.00 175.29 175.09 3iss s GLY 107 N -2.89 0.31 -0.18 2.60 0.00 -0.52 -3.18 107.32 103.46 3iss s GLY 107 Ca 0.09 3.43 0.00 0.00 0.00 0.00 0.00 44.72 48.25 3iss s GLY 107 CO -0.06 2.20 -0.08 1.20 0.00 0.00 0.00 173.10 176.35 3iss s GLN 108 N 0.44 1.80 -0.04 2.90 1.11 -0.13 -0.38 119.66 125.37 3iss s GLN 108 Ca 0.01 -0.69 0.06 0.00 0.01 0.00 0.00 55.36 54.76 3iss s GLN 108 Cb -0.04 -2.22 -0.01 0.00 -1.01 0.00 0.00 33.01 29.73 3iss s GLN 108 CO -0.13 -0.41 -0.22 0.08 0.01 0.00 0.00 175.29 174.62 3iss s VAL 109 N 1.50 1.75 0.18 1.09 1.01 -0.57 -0.93 120.40 124.42 3iss s VAL 109 Ca 0.00 -0.92 -0.31 0.00 0.00 0.00 0.00 61.98 60.75 3iss s VAL 109 Cb -0.16 -1.47 -0.10 0.00 0.00 0.00 0.00 36.38 34.65 3iss s VAL 109 CO -0.08 0.49 1.56 -0.55 0.00 0.00 0.00 175.10 176.53 3iss s SER 110 N -0.26 6.58 -0.05 3.32 0.15 -0.94 -0.02 113.70 122.48 3iss s SER 110 Ca 0.02 2.64 -0.30 0.00 0.70 0.00 0.00 55.95 59.01 3iss s SER 110 Cb -0.11 -2.60 -0.05 0.00 -1.71 0.00 0.00 66.02 61.55 3iss s SER 110 CO 0.01 -0.82 1.61 -0.22 1.20 0.00 0.00 173.24 175.02 3iss s LEU 111 N 0.98 4.31 0.34 3.45 1.98 -0.21 -4.83 118.68 124.71 3iss s LEU 111 Ca 0.69 2.21 -0.29 0.00 -2.89 0.00 0.00 54.13 53.85 3iss s LEU 111 Cb -0.44 -3.54 -0.11 0.00 0.66 0.00 0.00 46.19 42.77 3iss s LEU 111 CO 0.33 -0.90 1.47 -2.84 -1.89 0.00 0.00 176.35 172.52 3iss s PRO 112 N 3.79 4.17 0.00 0.98 0.02 -1.26 -5.00 135.00 137.70 3iss s PRO 112 Ca 0.71 2.49 0.00 0.00 0.02 0.00 0.00 61.00 64.22 3iss s PRO 112 Cb -0.33 -3.01 0.00 0.00 0.02 0.00 0.00 34.50 31.18 3iss s PRO 112 CO 0.28 -0.48 0.00 0.41 -0.33 0.00 0.00 177.00 176.88 3iss n GLY 113 N 0.98 1.30 3.81 0.52 0.00 -1.26 -5.02 105.19 105.51 3iss n GLY 113 Ca 0.03 -1.60 -0.33 0.00 0.00 0.00 0.00 46.02 44.12 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 2.14 0.14 -0.02 0.00 -1.26 -4.91 107.32 103.41 3iss s GLY 114 Ca 0.00 0.39 0.07 0.00 0.00 0.00 0.00 44.72 45.18 3iss s GLY 114 CO 0.00 0.70 -0.16 0.00 0.00 0.00 0.00 173.10 173.65 3iss h THR 116 N 3.40 0.32 0.00 0.00 1.35 -1.98 -3.27 112.91 112.73 3iss h THR 116 Ca -0.41 -0.88 0.00 0.00 -0.55 0.00 0.00 66.41 64.58 3iss h THR 116 Cb 1.20 1.67 0.00 0.00 -1.73 0.00 0.00 68.15 69.29 3iss h THR 116 CO 0.51 0.13 -0.38 2.30 -0.25 0.00 0.00 175.52 177.82 3iss n ILE 117 N -3.27 0.16 -0.83 6.82 -5.35 -1.26 -4.91 119.36 110.72 3iss n ILE 117 Ca 0.00 -0.11 0.00 0.00 -0.27 0.00 0.00 62.75 62.38 3iss n ILE 117 Cb 0.38 -0.10 0.00 0.00 -1.74 0.00 0.00 39.64 38.18 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 1.43 -0.19 3.71 3.28 0.00 -1.24 -3.42 105.19 108.76 3iss n GLY 118 Ca 0.05 -1.68 -0.42 0.00 0.00 0.00 0.00 46.02 43.97 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 -1.18 3.73 -0.39 4.61 0.00 -1.26 -4.35 121.76 122.93 3iss s ALA 119 Ca 0.00 1.29 0.12 0.00 0.00 0.00 0.00 51.96 53.37 3iss s ALA 119 Cb 0.00 -3.65 0.37 0.00 0.00 0.00 0.00 23.12 19.85 3iss s ALA 119 CO 0.00 -0.90 0.82 0.54 0.00 0.00 0.00 175.76 176.22 3iss n ARG 120 N 4.62 1.35 -1.02 0.00 1.74 -1.26 -5.06 116.66 117.03 3iss n ARG 120 Ca 0.14 -3.56 -0.31 0.00 -0.77 0.00 0.00 57.85 53.35 3iss n ARG 120 Cb 0.39 -1.69 0.12 0.00 -1.02 0.00 0.00 32.46 30.27 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 -2.73 1.73 -0.15 5.56 0.04 -1.26 -4.98 135.00 133.21 3iss s PRO 121 Ca 0.39 1.34 0.14 0.00 0.04 0.00 0.00 61.00 62.91 3iss s PRO 121 Cb 0.37 -1.82 0.35 0.00 0.04 0.00 0.00 34.50 33.43 3iss s PRO 121 CO -0.07 -2.07 1.18 1.33 0.04 0.00 0.00 177.00 177.41 3iss n VAL 122 N -3.81 1.75 -0.34 -0.36 0.24 -1.26 -4.81 118.33 109.73 3iss n VAL 122 Ca 0.10 -2.49 0.15 0.00 -2.04 0.00 0.00 64.34 60.06 3iss n VAL 122 Cb 0.53 -0.07 0.35 0.00 -1.47 0.00 0.00 33.84 33.17 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 0.59 0.73 -0.03 -1.34 2.03 -2.00 -1.82 116.42 114.58 3iss h ASP 123 Ca -0.02 0.10 -0.08 0.00 -0.73 0.00 0.00 57.03 56.30 3iss h ASP 123 Cb 1.11 -0.03 -0.01 0.00 -0.83 0.00 0.00 39.33 39.57 3iss h ASP 123 CO 0.01 0.23 -0.20 -0.07 -1.03 0.00 0.00 179.24 178.17 3iss h LEU 124 N 0.69 0.40 0.14 0.15 3.38 -1.99 -0.44 115.31 117.65 3iss h LEU 124 Ca 0.59 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.43 3iss h LEU 124 Cb 1.01 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.66 3iss h LEU 124 CO -0.39 0.62 -0.07 0.45 0.09 0.00 0.00 178.44 179.14 3iss h HIS 125 N 0.37 -0.18 0.33 1.13 3.86 -1.68 -1.78 115.15 117.21 3iss h HIS 125 Ca 0.06 -0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.26 3iss h HIS 125 Cb 0.57 0.06 -0.01 0.00 1.06 0.00 0.00 27.41 29.08 3iss h HIS 125 CO 0.02 0.11 -0.27 0.82 0.86 0.00 0.00 177.93 179.46 3iss h ILE 126 N -0.47 0.42 -0.84 2.45 2.04 -1.36 -2.29 117.51 117.46 3iss h ILE 126 Ca -0.02 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.94 3iss h ILE 126 Cb 0.37 0.42 -0.08 0.00 -0.74 0.00 0.00 36.82 36.80 3iss h ILE 126 CO 0.03 0.00 0.48 -1.28 0.00 0.00 0.00 178.15 177.39 3iss h SER 127 N -0.62 0.69 -0.78 1.72 0.87 -1.14 -0.99 113.55 113.30 3iss h SER 127 Ca -0.02 0.05 0.02 0.00 -1.23 0.00 0.00 61.79 60.61 3iss h SER 127 Cb 0.54 -0.08 -0.04 0.00 -0.44 0.00 0.00 62.40 62.38 3iss h SER 127 CO -0.02 0.38 0.50 1.23 -0.53 0.00 0.00 176.83 178.40 3iss h GLY 128 N 0.80 1.11 1.40 5.77 0.00 -1.15 -1.16 103.07 109.84 3iss h GLY 128 Ca 0.41 -0.39 -0.17 0.00 0.00 0.00 0.00 47.33 47.18 3iss h GLY 128 CO -0.26 0.35 -0.58 1.41 0.00 0.00 0.00 176.54 177.47 3iss h LEU 129 N 1.00 0.70 -1.02 3.11 3.38 -0.72 -2.36 115.31 119.41 3iss h LEU 129 Ca 0.30 -0.39 -0.06 0.00 0.09 0.00 0.00 57.88 57.83 3iss h LEU 129 Cb -0.04 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 3iss h LEU 129 CO -0.09 1.13 0.09 -0.33 0.09 0.00 0.00 178.44 179.32 3iss h GLU 130 N 0.47 0.80 0.00 1.13 5.08 -1.03 -1.54 114.58 119.49 3iss h GLU 130 Ca 0.00 -0.17 -0.05 0.00 -1.00 0.00 0.00 59.36 58.14 3iss h GLU 130 Cb 1.14 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.27 3iss h GLU 130 CO 0.11 0.74 -0.22 0.37 -1.00 0.00 0.00 179.01 179.02 3iss h GLN 131 N 0.76 0.00 -0.28 2.33 4.15 -0.92 -0.93 115.11 120.21 3iss h GLN 131 Ca 0.16 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.58 3iss h GLN 131 Cb 0.34 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.03 3iss h GLN 131 CO 0.00 0.22 0.00 1.28 -1.93 0.00 0.00 178.83 178.40 3iss n LEU 132 N -3.55 1.62 0.00 -2.39 4.77 -0.71 -4.77 117.00 111.98 3iss n LEU 132 Ca -0.01 -0.79 0.00 0.00 -0.03 0.00 0.00 56.01 55.18 3iss n LEU 132 Cb 0.37 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 3iss n LEU 132 CO 0.33 0.39 0.00 0.61 -1.33 0.00 0.00 177.39 177.39 3iss n GLY 133 N 1.01 0.48 3.79 -0.72 0.00 -0.35 -1.45 105.19 107.95 3iss n GLY 133 Ca 0.11 0.00 -0.35 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 2.95 -0.19 4.61 0.00 -0.66 -4.85 121.76 121.63 3iss s ALA 134 Ca 0.00 0.63 -0.09 0.00 0.00 0.00 0.00 51.96 52.50 3iss s ALA 134 Cb 0.00 -3.25 -0.05 0.00 0.00 0.00 0.00 23.12 19.82 3iss s ALA 134 CO 0.00 -0.26 0.11 0.99 0.00 0.00 0.00 175.76 176.60 3iss s THR 135 N -1.88 5.20 -0.07 0.00 2.01 -0.08 -4.27 115.64 116.55 3iss s THR 135 Ca 0.64 0.11 0.02 0.00 0.31 0.00 0.00 61.69 62.77 3iss s THR 135 Cb -0.18 -3.35 0.01 0.00 0.01 0.00 0.00 72.50 68.99 3iss s THR 135 CO 0.22 0.46 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.86 3iss s ILE 136 N 0.25 1.16 0.17 1.82 1.01 -1.26 -1.51 121.20 122.84 3iss s ILE 136 Ca 0.07 -0.47 0.04 0.00 0.00 0.00 0.00 60.65 60.29 3iss s ILE 136 Cb -0.11 -1.07 -0.05 0.00 0.01 0.00 0.00 42.46 41.24 3iss s ILE 136 CO -0.01 0.36 -0.07 -1.59 0.00 0.00 0.00 174.94 173.64 3iss s LYS 137 N 0.80 1.14 -0.29 2.79 -2.85 -0.49 -4.98 119.74 115.87 3iss s LYS 137 Ca -0.12 -1.52 0.02 0.00 -1.00 0.00 0.00 55.97 53.35 3iss s LYS 137 Cb -0.15 -0.61 0.07 0.00 -2.06 0.00 0.00 37.83 35.08 3iss s LYS 137 CO 0.02 0.02 -0.03 -1.17 0.10 0.00 0.00 175.35 174.28 3iss s LEU 138 N -3.21 3.92 -0.02 2.77 2.96 -1.26 0.13 118.68 123.98 3iss s LEU 138 Ca 0.20 -1.56 0.03 0.00 -0.22 0.00 0.00 54.13 52.59 3iss s LEU 138 Cb 0.04 -1.62 -0.00 0.00 0.50 0.00 0.00 46.19 45.10 3iss s LEU 138 CO 0.03 -0.26 -0.11 -1.83 -1.32 0.00 0.00 176.35 172.86 3iss s GLU 139 N 1.10 0.97 -1.74 1.98 -1.05 -0.72 -4.79 118.70 114.45 3iss s GLU 139 Ca -0.03 -0.38 0.00 0.00 -0.15 0.00 0.00 54.97 54.41 3iss s GLU 139 Cb -0.20 -0.92 0.00 0.00 -0.44 0.00 0.00 34.13 32.57 3iss s GLU 139 CO -0.05 0.20 0.00 0.39 0.95 0.00 0.00 175.26 176.75 3iss n GLU 140 N 2.98 -1.72 -0.97 -4.83 1.02 -1.26 -1.09 120.64 114.76 3iss n GLU 140 Ca -0.15 0.98 0.00 0.00 -0.02 0.00 0.00 57.16 57.97 3iss n GLU 140 Cb 0.55 -5.61 0.00 0.00 -0.02 0.00 0.00 31.44 26.36 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 -0.93 0.83 3.69 0.62 0.00 -1.26 -5.02 105.19 103.11 3iss n GLY 141 Ca -0.23 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.44 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 -3.29 3.32 -0.38 1.61 2.02 -0.25 -1.04 117.35 119.34 3iss s TYR 142 Ca 0.00 0.19 -0.28 0.00 -0.37 0.00 0.00 57.07 56.62 3iss s TYR 142 Cb 0.00 -2.06 0.02 0.00 -0.40 0.00 0.00 41.96 39.52 3iss s TYR 142 CO 0.00 0.28 1.03 0.54 -1.57 0.00 0.00 175.55 175.82 3iss s VAL 143 N 0.12 4.46 -0.29 0.71 0.11 0.97 -1.76 120.40 124.73 3iss s VAL 143 Ca 0.06 1.37 -0.07 0.00 -2.93 0.00 0.00 61.98 60.41 3iss s VAL 143 Cb -0.12 -4.43 0.00 0.00 -1.53 0.00 0.00 36.38 30.30 3iss s VAL 143 CO 0.00 -0.64 0.08 -0.54 -3.33 0.00 0.00 175.10 170.67 3iss s LYS 144 N 3.78 3.20 0.05 1.54 1.02 0.12 -1.52 119.74 127.92 3iss s LYS 144 Ca 0.43 -0.79 0.05 0.00 0.02 0.00 0.00 55.97 55.68 3iss s LYS 144 Cb -0.11 -3.37 -0.04 0.00 -0.52 0.00 0.00 37.83 33.80 3iss s LYS 144 CO 0.21 -0.40 -0.09 0.00 -0.92 0.00 0.00 175.35 174.15 3iss s ALA 145 N 1.52 2.96 -0.03 5.17 0.00 0.49 -1.39 121.76 130.48 3iss s ALA 145 Ca 0.03 -1.12 -0.23 0.00 0.00 0.00 0.00 51.96 50.64 3iss s ALA 145 Cb -0.17 -1.01 0.05 0.00 0.00 0.00 0.00 23.12 21.99 3iss s ALA 145 CO 0.03 0.62 0.50 -1.54 0.00 0.00 0.00 175.76 175.37 3iss s SER 146 N -1.75 -0.44 -0.09 0.00 1.04 -0.57 -1.43 113.70 110.47 3iss s SER 146 Ca 0.19 0.42 -0.05 0.00 0.48 0.00 0.00 55.95 56.99 3iss s SER 146 Cb -0.11 0.44 0.04 0.00 0.10 0.00 0.00 66.02 66.48 3iss s SER 146 CO 0.10 -0.53 0.20 0.54 0.98 0.00 0.00 173.24 174.54 3iss s VAL 147 N -1.24 -0.03 -0.59 5.02 0.11 -0.40 -0.90 120.40 122.37 3iss s VAL 147 Ca -0.12 0.11 -0.27 0.00 -2.93 0.00 0.00 61.98 58.77 3iss s VAL 147 Cb -0.03 -0.31 0.01 0.00 -1.53 0.00 0.00 36.38 34.52 3iss s VAL 147 CO 0.07 0.05 1.50 -0.62 -3.33 0.00 0.00 175.10 172.77 3iss s ASP 148 N 0.89 5.94 0.18 3.54 2.15 -1.26 -4.71 116.67 123.41 3iss s ASP 148 Ca -0.06 0.21 0.00 0.00 0.43 0.00 0.00 52.55 53.13 3iss s ASP 148 Cb -0.08 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.00 3iss s ASP 148 CO -0.05 -1.87 0.00 0.61 -0.17 0.00 0.00 175.17 173.69 3iss n GLY 149 N 5.38 0.67 3.78 2.66 0.00 -1.26 -4.91 105.19 111.52 3iss n GLY 149 Ca 0.13 -1.18 -0.22 0.00 0.00 0.00 0.00 46.02 44.74 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 2.50 1.10 1.61 1.70 -1.26 -4.69 118.95 119.91 3iss s ARG 150 Ca 0.00 -1.47 -0.14 0.00 -0.47 0.00 0.00 55.73 53.64 3iss s ARG 150 Cb 0.00 -2.28 0.24 0.00 -0.57 0.00 0.00 34.95 32.34 3iss s ARG 150 CO 0.00 0.08 1.08 -0.51 -1.08 0.00 0.00 175.30 174.86 3iss s LEU 151 N -3.92 1.09 -0.03 -1.89 1.43 -1.26 -4.87 118.68 109.23 3iss s LEU 151 Ca 0.40 1.09 0.00 0.00 -1.03 0.00 0.00 54.13 54.59 3iss s LEU 151 Cb -0.03 -3.08 0.03 0.00 0.03 0.00 0.00 46.19 43.13 3iss s LEU 151 CO 0.24 -3.67 0.00 -0.54 0.23 0.00 0.00 176.35 172.61 3iss s LYS 152 N -4.97 0.33 0.44 1.70 -0.14 -0.53 -0.97 119.74 115.60 3iss s LYS 152 Ca 0.67 0.08 -0.23 0.00 -1.36 0.00 0.00 55.97 55.13 3iss s LYS 152 Cb -0.18 -0.53 -0.10 0.00 -1.68 0.00 0.00 37.83 35.34 3iss s LYS 152 CO 0.59 -0.15 0.92 0.41 -0.76 0.00 0.00 175.35 176.35 3iss n GLY 153 N 4.25 -0.45 3.36 -3.33 0.00 -0.00 -4.62 105.19 104.40 3iss n GLY 153 Ca -0.24 0.09 -0.10 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.34 -0.10 -0.50 4.61 0.00 -1.11 -4.73 121.76 118.59 3iss s ALA 154 Ca 0.65 -0.82 -0.19 0.00 0.00 0.00 0.00 51.96 51.60 3iss s ALA 154 Cb -0.55 0.87 0.06 0.00 0.00 0.00 0.00 23.12 23.50 3iss s ALA 154 CO 0.56 -0.67 0.61 -1.58 0.00 0.00 0.00 175.76 174.68 3iss s HIS 155 N -3.96 3.06 -0.26 0.00 2.46 -1.26 -1.06 115.29 114.27 3iss s HIS 155 Ca 0.17 -0.54 -0.03 0.00 0.47 0.00 0.00 55.06 55.12 3iss s HIS 155 Cb 0.03 -3.51 0.02 0.00 -0.13 0.00 0.00 32.58 28.99 3iss s HIS 155 CO 0.00 -1.01 -0.02 0.42 -2.47 0.00 0.00 174.74 171.66 3iss s ILE 156 N 2.59 3.23 -0.33 0.89 1.01 0.94 -4.97 121.20 124.55 3iss s ILE 156 Ca 0.15 -0.87 -0.12 0.00 0.00 0.00 0.00 60.65 59.81 3iss s ILE 156 Cb -0.19 -2.63 -0.01 0.00 0.01 0.00 0.00 42.46 39.64 3iss s ILE 156 CO 0.12 0.20 0.22 -0.69 0.00 0.00 0.00 174.94 174.79 3iss s VAL 157 N 1.39 5.12 -0.11 2.92 1.01 -1.26 -0.44 120.40 129.03 3iss s VAL 157 Ca 0.02 -0.27 -0.30 0.00 0.00 0.00 0.00 61.98 61.43 3iss s VAL 157 Cb -0.16 -3.63 -0.01 0.00 0.00 0.00 0.00 36.38 32.57 3iss s VAL 157 CO -0.02 0.00 1.04 -0.04 0.00 0.00 0.00 175.10 176.07 3iss s MET 158 N 1.70 4.40 0.19 2.72 1.00 0.10 -4.94 119.30 124.47 3iss s MET 158 Ca 0.06 1.43 -0.12 0.00 0.00 0.00 0.00 55.69 57.05 3iss s MET 158 Cb -0.17 -3.55 0.21 0.00 0.00 0.00 0.00 34.83 31.31 3iss s MET 158 CO 0.10 -0.36 1.71 -0.44 0.00 0.00 0.00 175.02 176.03 3iss h ASP 159 N 7.18 -0.03 -5.26 3.03 3.32 -1.93 -3.44 116.42 119.28 3iss h ASP 159 Ca -0.31 0.10 -0.34 0.00 0.02 0.00 0.00 57.03 56.50 3iss h ASP 159 Cb 1.14 0.14 -0.14 0.00 0.22 0.00 0.00 39.33 40.69 3iss h ASP 159 CO 0.87 0.01 -0.58 -1.59 -1.72 0.00 0.00 179.24 176.23 3iss s LYS 160 N -6.14 1.43 -0.20 3.56 -2.85 -1.26 -5.12 119.74 109.15 3iss s LYS 160 Ca -0.13 -1.79 -0.28 0.00 -1.00 0.00 0.00 55.97 52.77 3iss s LYS 160 Cb 0.16 0.11 0.00 0.00 -2.06 0.00 0.00 37.83 36.04 3iss s LYS 160 CO 0.73 -0.44 0.97 0.08 0.10 0.00 0.00 175.35 176.79 3iss s VAL 161 N -3.84 4.75 -0.05 1.79 1.01 -1.26 -4.99 120.40 117.80 3iss s VAL 161 Ca 0.38 1.91 -0.02 0.00 0.00 0.00 0.00 61.98 64.25 3iss s VAL 161 Cb 0.06 -4.26 0.04 0.00 0.00 0.00 0.00 36.38 32.22 3iss s VAL 161 CO 0.16 -0.10 0.09 -0.55 0.00 0.00 0.00 175.10 174.70 3iss s SER 162 N 1.20 0.95 0.10 3.32 0.15 -1.26 -5.01 113.70 113.15 3iss s SER 162 Ca 0.43 0.16 -0.23 0.00 0.70 0.00 0.00 55.95 57.01 3iss s SER 162 Cb -0.16 0.00 -0.13 0.00 -1.71 0.00 0.00 66.02 64.02 3iss s SER 162 CO 0.09 -0.24 1.73 0.58 1.20 0.00 0.00 173.24 176.61 3iss h VAL 163 N 6.40 0.97 0.02 4.45 2.07 -1.95 -2.21 116.25 126.00 3iss h VAL 163 Ca -0.14 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.38 3iss h VAL 163 Cb 1.12 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 31.86 3iss h VAL 163 CO 0.16 0.00 -0.01 1.23 0.02 0.00 0.00 177.57 178.97 3iss h GLY 164 N -0.01 -0.03 1.16 2.17 0.00 -1.99 -1.94 103.07 102.43 3iss h GLY 164 Ca 0.01 0.01 -0.11 0.00 0.00 0.00 0.00 47.33 47.24 3iss h GLY 164 CO -0.03 -0.01 -0.13 0.00 0.00 0.00 0.00 176.54 176.37 3iss h ALA 165 N 0.85 0.80 -0.50 3.60 0.00 -1.92 -1.02 119.26 121.06 3iss h ALA 165 Ca -0.00 -0.35 0.06 0.00 0.00 0.00 0.00 54.91 54.61 3iss h ALA 165 Cb 0.11 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.66 3iss h ALA 165 CO 0.01 0.66 0.20 1.15 0.00 0.00 0.00 179.25 181.27 3iss h THR 166 N 0.87 0.86 -0.45 0.00 2.02 -1.28 -0.36 112.91 114.58 3iss h THR 166 Ca 0.13 -0.14 -0.03 0.00 0.77 0.00 0.00 66.41 67.15 3iss h THR 166 Cb 0.68 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 67.51 3iss h THR 166 CO 0.05 0.07 0.17 0.58 0.37 0.00 0.00 175.52 176.76 3iss h VAL 167 N 0.39 1.21 0.03 3.16 2.07 -1.11 -0.63 116.25 121.37 3iss h VAL 167 Ca 0.24 -0.67 0.03 0.00 0.82 0.00 0.00 66.70 67.12 3iss h VAL 167 Cb 0.23 0.81 -0.04 0.00 -1.52 0.00 0.00 31.29 30.77 3iss h VAL 167 CO -0.22 0.24 -0.21 0.74 0.02 0.00 0.00 177.57 178.14 3iss h THR 168 N 0.58 0.50 -0.17 2.57 2.02 -0.60 -1.65 112.91 116.16 3iss h THR 168 Ca 0.15 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.29 3iss h THR 168 Cb 0.22 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 67.12 3iss h THR 168 CO -0.01 0.00 -0.03 0.40 0.37 0.00 0.00 175.52 176.25 3iss h ILE 169 N -0.36 1.28 -0.56 3.11 2.04 -1.03 -2.08 117.51 119.91 3iss h ILE 169 Ca 0.05 -0.98 0.09 0.00 1.00 0.00 0.00 64.86 65.03 3iss h ILE 169 Cb 0.42 1.57 -0.07 0.00 -0.74 0.00 0.00 36.82 38.00 3iss h ILE 169 CO -0.18 0.29 0.16 -0.03 0.00 0.00 0.00 178.15 178.39 3iss h MET 170 N 0.05 0.31 -0.20 2.37 4.05 -1.02 -1.07 114.93 119.41 3iss h MET 170 Ca 0.05 -0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 59.43 3iss h MET 170 Cb 0.46 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.18 3iss h MET 170 CO 0.02 0.20 0.05 0.00 0.23 0.00 0.00 176.91 177.41 3iss h ALA 172 N 0.86 1.45 0.00 0.00 0.00 -1.02 -2.69 119.26 117.86 3iss h ALA 172 Ca 0.06 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 3iss h ALA 172 Cb 0.28 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3iss h ALA 172 CO 0.00 0.46 -0.17 0.00 0.00 0.00 0.00 179.25 179.54 3iss h ALA 173 N 1.53 1.13 0.00 0.00 0.00 -1.10 -3.06 119.26 117.77 3iss h ALA 173 Ca 0.22 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3iss h ALA 173 Cb 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3iss h ALA 173 CO -0.04 0.22 0.00 1.79 0.00 0.00 0.00 179.25 181.22 3iss h THR 174 N 0.00 0.00 0.00 0.00 1.35 -1.44 -1.33 112.91 111.48 3iss h THR 174 Ca -0.00 -0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.86 3iss h THR 174 Cb 0.55 0.86 -0.00 0.00 -1.73 0.00 0.00 68.15 67.83 3iss h THR 174 CO 0.02 0.00 -0.16 0.18 -0.25 0.00 0.00 175.52 175.31 3iss n LEU 175 N -2.85 2.45 -4.99 3.87 4.77 -1.15 -1.99 117.00 117.10 3iss n LEU 175 Ca -0.03 -3.33 -0.20 0.00 -0.03 0.00 0.00 56.01 52.43 3iss n LEU 175 Cb 0.06 -0.46 0.03 0.00 -2.33 0.00 0.00 43.42 40.72 3iss n LEU 175 CO 0.17 0.93 0.29 0.00 -1.33 0.00 0.00 177.39 177.45 3iss s ALA 176 N -2.97 4.14 -0.42 -1.18 0.00 -0.50 -4.58 121.76 116.26 3iss s ALA 176 Ca 0.34 -1.47 -0.25 0.00 0.00 0.00 0.00 51.96 50.57 3iss s ALA 176 Cb 0.31 -1.90 0.02 0.00 0.00 0.00 0.00 23.12 21.55 3iss s ALA 176 CO -0.00 -0.59 0.90 -1.21 0.00 0.00 0.00 175.76 174.86 3iss s GLU 177 N -4.61 3.66 0.59 0.00 2.02 -0.14 -4.07 118.70 116.13 3iss s GLU 177 Ca 0.57 0.30 0.00 0.00 0.02 0.00 0.00 54.97 55.86 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 0.36 -1.08 0.00 0.41 0.02 0.00 0.00 175.26 174.98 3iss n GLY 178 N 4.70 -1.16 3.60 -1.39 0.00 -1.26 -0.82 105.19 108.85 3iss n GLY 178 Ca 0.06 -1.76 -0.34 0.00 0.00 0.00 0.00 46.02 43.97 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 4.42 -0.08 2.61 2.01 -1.26 -0.91 115.64 122.43 3iss s THR 179 Ca 0.00 -0.17 -0.01 0.00 0.31 0.00 0.00 61.69 61.82 3iss s THR 179 Cb 0.00 -2.96 -0.03 0.00 0.01 0.00 0.00 72.50 69.52 3iss s THR 179 CO 0.00 0.50 -0.03 -0.89 -0.69 0.00 0.00 174.62 173.50 3iss s THR 180 N 0.17 4.03 -0.13 -0.82 2.01 0.43 -2.77 115.64 118.56 3iss s THR 180 Ca 0.02 -0.35 0.00 0.00 0.31 0.00 0.00 61.69 61.67 3iss s THR 180 Cb -0.13 -2.68 0.02 0.00 0.01 0.00 0.00 72.50 69.73 3iss s THR 180 CO 0.01 0.60 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.80 3iss s ILE 181 N -0.79 1.31 -0.34 1.82 1.01 -0.23 -0.59 121.20 123.40 3iss s ILE 181 Ca 0.12 -0.47 -0.12 0.00 0.00 0.00 0.00 60.65 60.18 3iss s ILE 181 Cb -0.11 -1.27 -0.01 0.00 0.01 0.00 0.00 42.46 41.08 3iss s ILE 181 CO 0.02 0.42 0.22 -0.63 0.00 0.00 0.00 174.94 174.96 3iss s ILE 182 N 1.56 5.05 -0.13 2.92 1.01 -0.00 -0.04 121.20 131.57 3iss s ILE 182 Ca 0.04 -0.35 -0.08 0.00 0.00 0.00 0.00 60.65 60.27 3iss s ILE 182 Cb -0.13 -3.62 -0.04 0.00 0.01 0.00 0.00 42.46 38.68 3iss s ILE 182 CO -0.09 -0.03 0.15 -1.61 0.00 0.00 0.00 174.94 173.36 3iss s GLU 183 N 1.68 3.56 -0.77 2.79 0.41 0.41 -1.88 118.70 124.90 3iss s GLU 183 Ca 0.05 -0.12 -0.04 0.00 -0.41 0.00 0.00 54.97 54.46 3iss s GLU 183 Cb -0.18 -3.22 0.00 0.00 -1.78 0.00 0.00 34.13 28.96 3iss s GLU 183 CO 0.09 0.71 0.53 -1.71 -0.49 0.00 0.00 175.26 174.40 3iss n ASN 184 N 2.17 -4.25 -4.79 -0.19 4.05 -0.30 -0.72 115.26 111.23 3iss n ASN 184 Ca -0.19 -0.24 -0.33 0.00 0.45 0.00 0.00 54.58 54.26 3iss n ASN 184 Cb 0.55 -2.93 0.02 0.00 1.23 0.00 0.00 39.78 38.65 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 -3.07 2.63 0.42 5.20 0.00 -0.30 -4.59 121.76 122.04 3iss s ALA 185 Ca 0.26 0.51 -0.24 0.00 0.00 0.00 0.00 51.96 52.50 3iss s ALA 185 Cb -0.12 -3.28 -0.08 0.00 0.00 0.00 0.00 23.12 19.64 3iss s ALA 185 CO 0.33 -0.98 1.09 0.00 0.00 0.00 0.00 175.76 176.20 3iss s ALA 186 N -2.32 3.05 -1.27 0.00 0.00 -1.26 -4.50 121.76 115.46 3iss s ALA 186 Ca 0.66 0.79 0.14 0.00 0.00 0.00 0.00 51.96 53.55 3iss s ALA 186 Cb -0.19 -3.31 0.37 0.00 0.00 0.00 0.00 23.12 19.99 3iss s ALA 186 CO 0.37 -0.38 1.29 0.54 0.00 0.00 0.00 175.76 177.59 3iss n ARG 187 N -0.20 2.64 -1.56 0.00 3.00 -1.26 -4.68 116.66 114.60 3iss n ARG 187 Ca 0.06 -2.12 -0.46 0.00 -0.01 0.00 0.00 57.85 55.31 3iss n ARG 187 Cb 0.49 -1.34 -0.02 0.00 0.00 0.00 0.00 32.46 31.59 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 0.82 1.10 -0.25 5.56 4.71 -1.26 -4.59 120.64 126.73 3iss n GLU 188 Ca 0.14 0.39 0.20 0.00 -0.01 0.00 0.00 57.16 57.88 3iss n GLU 188 Cb 0.47 -1.72 0.53 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 2.09 0.36 0.00 3.49 0.11 -1.96 -0.26 132.00 135.84 3iss h PRO 189 Ca -0.38 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.65 3iss h PRO 189 Cb 1.36 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 3iss h PRO 189 CO 0.62 0.24 -0.25 0.93 -0.21 0.00 0.00 178.00 179.33 3iss h GLU 190 N 0.38 0.00 -0.12 1.05 3.07 -1.89 -1.41 114.58 115.67 3iss h GLU 190 Ca 0.48 0.00 -0.15 0.00 -0.50 0.00 0.00 59.36 59.19 3iss h GLU 190 Cb 1.25 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.15 3iss h GLU 190 CO -0.18 0.25 -0.59 0.82 -1.40 0.00 0.00 179.01 177.92 3iss h ILE 191 N 0.00 1.36 -0.05 3.13 2.04 -1.38 -1.52 117.51 121.08 3iss h ILE 191 Ca -0.00 -1.90 -0.01 0.00 1.00 0.00 0.00 64.86 63.95 3iss h ILE 191 Cb 0.51 1.91 -0.00 0.00 -0.74 0.00 0.00 36.82 38.50 3iss h ILE 191 CO 0.03 0.57 -0.00 0.58 0.00 0.00 0.00 178.15 179.34 3iss h VAL 192 N 0.28 1.25 -0.61 1.67 2.07 -1.15 -1.17 116.25 118.58 3iss h VAL 192 Ca -0.00 -0.77 0.04 0.00 0.82 0.00 0.00 66.70 66.79 3iss h VAL 192 Cb 1.11 1.67 -0.05 0.00 -1.52 0.00 0.00 31.29 32.50 3iss h VAL 192 CO 0.10 0.21 0.35 -0.78 0.02 0.00 0.00 177.57 177.47 3iss h ASP 193 N -0.21 0.53 -0.64 0.57 3.58 -1.26 0.28 116.42 119.27 3iss h ASP 193 Ca 0.01 0.02 -0.00 0.00 0.42 0.00 0.00 57.03 57.48 3iss h ASP 193 Cb 0.33 -0.09 -0.03 0.00 1.72 0.00 0.00 39.33 41.26 3iss h ASP 193 CO 0.00 0.36 0.39 0.74 -2.88 0.00 0.00 179.24 177.86 3iss h THR 194 N 0.66 1.18 -0.59 2.25 2.02 -1.15 -0.98 112.91 116.30 3iss h THR 194 Ca 0.26 -0.39 -0.04 0.00 0.77 0.00 0.00 66.41 67.01 3iss h THR 194 Cb 0.12 0.29 -0.03 0.00 -1.74 0.00 0.00 68.15 66.79 3iss h THR 194 CO -0.15 0.19 0.21 0.00 0.37 0.00 0.00 175.52 176.14 3iss h ALA 195 N 1.21 0.77 -0.21 6.16 0.00 -0.51 -1.71 119.26 124.96 3iss h ALA 195 Ca 0.23 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 3iss h ALA 195 Cb -0.04 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3iss h ALA 195 CO -0.04 0.42 -0.15 -0.91 0.00 0.00 0.00 179.25 178.56 3iss h ASN 196 N 0.83 0.34 -0.13 0.00 2.35 -0.52 -0.70 115.58 117.76 3iss h ASN 196 Ca 0.19 -0.08 -0.02 0.00 -0.55 0.00 0.00 56.30 55.84 3iss h ASN 196 Cb 0.25 -0.09 -0.00 0.00 0.05 0.00 0.00 38.32 38.52 3iss h ASN 196 CO -0.01 0.52 0.01 0.15 -1.65 0.00 0.00 177.43 176.45 3iss h PHE 197 N 0.33 0.23 -0.66 1.19 3.57 -1.05 -2.45 116.94 118.11 3iss h PHE 197 Ca 0.06 -0.04 0.09 0.00 3.53 0.00 0.00 57.97 61.62 3iss h PHE 197 Cb 0.47 -0.06 -0.07 0.00 2.79 0.00 0.00 35.95 39.08 3iss h PHE 197 CO 0.01 0.42 0.30 -0.07 -2.23 0.00 0.00 178.31 176.74 3iss h LEU 198 N -0.03 0.36 -1.01 0.59 3.38 -0.92 -1.53 115.31 116.16 3iss h LEU 198 Ca 0.04 0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 3iss h LEU 198 Cb 0.32 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 3iss h LEU 198 CO 0.00 0.21 0.42 0.40 0.09 0.00 0.00 178.44 179.57 3iss h ILE 199 N 0.52 1.24 -0.21 1.22 2.04 -1.13 -1.36 117.51 119.83 3iss h ILE 199 Ca 0.32 -0.62 0.03 0.00 1.00 0.00 0.00 64.86 65.60 3iss h ILE 199 Cb 0.36 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.60 3iss h ILE 199 CO -0.28 0.27 0.15 0.74 0.00 0.00 0.00 178.15 179.04 3iss h THR 200 N 1.12 0.97 -0.00 -0.27 2.02 -0.79 0.14 112.91 116.10 3iss h THR 200 Ca 0.28 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 67.41 3iss h THR 200 Cb 0.05 0.82 0.00 0.00 -1.74 0.00 0.00 68.15 67.28 3iss h THR 200 CO -0.04 0.03 -0.07 0.18 0.37 0.00 0.00 175.52 175.98 3iss n LEU 201 N -4.50 0.26 0.00 2.58 4.77 -0.61 -4.86 117.00 114.64 3iss n LEU 201 Ca 0.01 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 3iss n LEU 201 Cb 0.19 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 3iss n LEU 201 CO 0.35 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 3iss n GLY 202 N 1.29 1.31 3.86 -0.72 0.00 0.47 -1.21 105.19 110.21 3iss n GLY 202 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.61 -4.93 121.76 121.50 3iss s ALA 203 Ca 0.00 -0.07 0.01 0.00 0.00 0.00 0.00 51.96 51.91 3iss s ALA 203 Cb 0.00 -3.09 0.11 0.00 0.00 0.00 0.00 23.12 20.14 3iss s ALA 203 CO 0.00 -0.73 0.13 0.15 0.00 0.00 0.00 175.76 175.31 3iss s LYS 204 N -5.14 1.74 -0.01 0.00 1.02 -1.26 -4.33 119.74 111.76 3iss s LYS 204 Ca 0.55 -1.93 0.04 0.00 0.02 0.00 0.00 55.97 54.66 3iss s LYS 204 Cb -0.11 -3.37 -0.01 0.00 -0.52 0.00 0.00 37.83 33.82 3iss s LYS 204 CO 0.54 -1.01 -0.13 0.42 -0.92 0.00 0.00 175.35 174.25 3iss s ILE 205 N 0.88 1.06 0.01 2.17 1.01 -1.26 -0.92 121.20 124.13 3iss s ILE 205 Ca 0.11 -0.57 -0.05 0.00 0.00 0.00 0.00 60.65 60.14 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 0.08 -0.94 0.00 0.00 0.00 174.94 174.32 3iss s SER 206 N -0.29 0.09 0.00 3.58 1.04 -0.14 -4.90 113.70 113.08 3iss s SER 206 Ca 0.05 -0.28 0.00 0.00 0.48 0.00 0.00 55.95 56.20 3iss s SER 206 Cb -0.05 0.17 0.00 0.00 0.10 0.00 0.00 66.02 66.24 3iss s SER 206 CO -0.00 -0.32 0.00 0.61 0.98 0.00 0.00 173.24 174.50 3iss n GLY 207 N 1.62 0.56 3.65 7.32 0.00 -1.26 0.16 105.19 117.24 3iss n GLY 207 Ca -0.22 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.33 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 1.85 -0.04 1.61 0.00 -1.26 -0.80 117.38 116.74 3iss n GLN 208 Ca 0.00 0.66 0.00 0.00 0.00 0.00 0.00 57.00 57.66 3iss n GLN 208 Cb 0.00 -2.33 0.00 0.00 0.00 0.00 0.00 30.24 27.91 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 2.52 0.57 3.75 2.61 0.00 -1.26 -4.94 105.19 108.44 3iss n GLY 209 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.23 1.67 -1.18 2.61 -4.23 0.02 -4.79 115.64 107.50 3iss s THR 210 Ca 0.00 -1.86 0.21 0.00 -1.18 0.00 0.00 61.69 58.86 3iss s THR 210 Cb 0.00 -2.53 0.26 0.00 1.34 0.00 0.00 72.50 71.58 3iss s THR 210 CO 0.00 0.00 1.69 -0.90 -0.54 0.00 0.00 174.62 174.87 3iss n ASP 211 N -1.27 0.00 -3.95 3.99 5.68 -1.26 -4.59 116.55 115.15 3iss n ASP 211 Ca -0.10 0.27 -0.30 0.00 -0.50 0.00 0.00 54.79 54.17 3iss n ASP 211 Cb 0.66 -0.41 -0.16 0.00 -1.14 0.00 0.00 41.12 40.07 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 -2.82 1.72 -0.16 0.11 3.52 -1.26 -1.15 118.95 118.91 3iss s ARG 212 Ca 0.15 -0.85 -0.04 0.00 -0.13 0.00 0.00 55.73 54.86 3iss s ARG 212 Cb 0.14 -2.42 -0.03 0.00 -1.56 0.00 0.00 34.95 31.08 3iss s ARG 212 CO 0.36 -0.51 -0.02 0.42 -0.81 0.00 0.00 175.30 174.74 3iss s ILE 213 N 1.44 4.04 -0.19 4.11 1.01 -0.79 -4.33 121.20 126.49 3iss s ILE 213 Ca -0.03 -0.30 -0.03 0.00 0.00 0.00 0.00 60.65 60.29 3iss s ILE 213 Cb -0.17 -2.78 -0.01 0.00 0.01 0.00 0.00 42.46 39.51 3iss s ILE 213 CO -0.07 0.49 -0.07 -0.69 0.00 0.00 0.00 174.94 174.60 3iss s VAL 214 N 0.36 3.27 -0.15 2.92 1.01 0.12 -0.82 120.40 127.11 3iss s VAL 214 Ca -0.03 -0.54 0.01 0.00 0.00 0.00 0.00 61.98 61.42 3iss s VAL 214 Cb -0.14 -2.46 0.00 0.00 0.00 0.00 0.00 36.38 33.79 3iss s VAL 214 CO 0.02 0.46 -0.17 -0.63 0.00 0.00 0.00 175.10 174.78 3iss s ILE 215 N 1.14 2.47 -0.34 2.22 1.09 0.24 -0.97 121.20 127.06 3iss s ILE 215 Ca 0.01 -0.83 -0.10 0.00 -1.10 0.00 0.00 60.65 58.63 3iss s ILE 215 Cb -0.14 -2.03 0.01 0.00 -1.06 0.00 0.00 42.46 39.23 3iss s ILE 215 CO -0.02 0.52 0.17 -0.70 -0.10 0.00 0.00 174.94 174.82 3iss s GLU 216 N 0.88 3.06 0.33 2.79 2.12 -0.10 -0.43 118.70 127.35 3iss s GLU 216 Ca -0.05 -0.91 -0.29 0.00 0.36 0.00 0.00 54.97 54.09 3iss s GLU 216 Cb -0.15 -3.63 -0.12 0.00 0.26 0.00 0.00 34.13 30.48 3iss s GLU 216 CO -0.02 -0.56 1.40 0.41 -0.54 0.00 0.00 175.26 175.96 3iss n GLY 217 N 4.98 0.88 3.60 -1.50 0.00 -0.09 -4.03 105.19 109.04 3iss n GLY 217 Ca -0.13 0.37 -0.27 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.77 1.88 -0.23 1.61 -7.23 -0.84 -4.68 120.40 110.14 3iss s VAL 218 Ca 0.58 -2.00 0.22 0.00 -1.81 0.00 0.00 61.98 58.97 3iss s VAL 218 Cb -0.55 -2.95 -0.00 0.00 0.56 0.00 0.00 36.38 33.44 3iss s VAL 218 CO 0.59 0.00 1.04 1.05 -0.31 0.00 0.00 175.10 177.47 3iss h GLU 219 N 1.80 0.00 -2.19 4.82 4.11 -1.91 -3.39 114.58 117.82 3iss h GLU 219 Ca -0.44 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 58.99 3iss h GLU 219 Cb 1.24 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 30.32 3iss h GLU 219 CO 0.79 0.02 0.30 -0.98 0.07 0.00 0.00 179.01 179.21 3iss s ARG 220 N -3.34 0.99 0.03 1.06 1.70 -1.26 -5.05 118.95 113.09 3iss s ARG 220 Ca -0.01 -0.01 0.06 0.00 -0.47 0.00 0.00 55.73 55.31 3iss s ARG 220 Cb 0.09 0.46 -0.03 0.00 -0.57 0.00 0.00 34.95 34.90 3iss s ARG 220 CO 0.79 -0.36 -0.16 -0.51 -1.08 0.00 0.00 175.30 173.98 3iss s LEU 221 N -1.71 2.72 0.00 -1.89 1.43 -1.26 -4.94 118.68 113.03 3iss s LEU 221 Ca -0.04 -0.37 0.00 0.00 -1.03 0.00 0.00 54.13 52.69 3iss s LEU 221 Cb -0.00 -1.58 0.00 0.00 0.03 0.00 0.00 46.19 44.64 3iss s LEU 221 CO 0.01 0.26 0.00 0.61 0.23 0.00 0.00 176.35 177.46 3iss n GLY 222 N 1.55 1.55 0.00 -3.19 0.00 -0.35 -1.24 105.19 103.51 3iss n GLY 222 Ca -0.16 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.37 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 5.21 0.00 -0.02 0.00 -1.26 -3.28 105.19 110.85 3iss n GLY 223 Ca 0.00 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 44.12 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 2.98 -0.33 3.11 -0.02 0.00 -1.04 -4.57 105.19 105.32 3iss n GLY 224 Ca 0.00 -1.46 -0.25 0.00 0.00 0.00 0.00 46.02 44.31 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 1.31 -0.08 1.61 1.01 -1.26 -0.96 120.40 119.28 3iss s VAL 225 Ca 0.00 -0.66 -0.06 0.00 0.00 0.00 0.00 61.98 61.26 3iss s VAL 225 Cb 0.00 -1.13 0.03 0.00 0.00 0.00 0.00 36.38 35.28 3iss s VAL 225 CO 0.00 0.38 0.21 -0.47 0.00 0.00 0.00 175.10 175.22 3iss s TYR 226 N 0.01 -0.24 -0.22 5.22 5.04 -0.70 -4.99 117.35 121.47 3iss s TYR 226 Ca -0.02 0.59 -0.09 0.00 -2.44 0.00 0.00 57.07 55.10 3iss s TYR 226 Cb -0.10 0.05 -0.05 0.00 0.35 0.00 0.00 41.96 42.21 3iss s TYR 226 CO 0.02 -0.14 0.12 0.50 -1.34 0.00 0.00 175.55 174.71 3iss s ARG 227 N 0.48 4.05 0.28 4.97 3.52 -1.26 -0.02 118.95 130.98 3iss s ARG 227 Ca -0.03 -0.29 -0.29 0.00 -0.13 0.00 0.00 55.73 54.99 3iss s ARG 227 Cb -0.05 -3.41 -0.09 0.00 -1.56 0.00 0.00 34.95 29.84 3iss s ARG 227 CO -0.02 0.16 1.08 0.08 -0.81 0.00 0.00 175.30 175.79 3iss s VAL 228 N 0.74 3.55 0.94 7.11 1.01 -0.81 -4.95 120.40 127.98 3iss s VAL 228 Ca 0.06 1.54 -0.12 0.00 0.00 0.00 0.00 61.98 63.46 3iss s VAL 228 Cb -0.13 -3.97 0.15 0.00 0.00 0.00 0.00 36.38 32.44 3iss s VAL 228 CO 0.02 0.35 1.09 -1.48 0.00 0.00 0.00 175.10 175.08 3iss s LEU 229 N -1.50 1.98 0.66 3.92 2.34 -1.26 -4.68 118.68 120.15 3iss s LEU 229 Ca 0.45 1.36 -0.15 0.00 0.06 0.00 0.00 54.13 55.85 3iss s LEU 229 Cb -0.31 -3.68 0.00 0.00 -0.56 0.00 0.00 46.19 41.64 3iss s LEU 229 CO 0.39 -2.85 1.13 -2.84 -1.06 0.00 0.00 176.35 171.12 3iss s PRO 230 N -4.95 2.73 -0.55 1.48 0.02 -1.26 -0.51 135.00 131.95 3iss s PRO 230 Ca 0.64 1.46 -0.27 0.00 0.02 0.00 0.00 61.00 62.85 3iss s PRO 230 Cb -0.18 -1.94 0.03 0.00 0.02 0.00 0.00 34.50 32.44 3iss s PRO 230 CO 0.57 -1.32 1.08 0.34 -0.33 0.00 0.00 177.00 177.34 3iss s ASP 231 N -2.46 6.42 0.42 2.53 -1.08 -0.67 -4.28 116.67 117.55 3iss s ASP 231 Ca 0.68 -0.04 0.12 0.00 -0.52 0.00 0.00 52.55 52.79 3iss s ASP 231 Cb -0.22 -2.50 0.91 0.00 -1.46 0.00 0.00 42.92 39.64 3iss s ASP 231 CO 0.41 -1.34 1.96 0.08 0.52 0.00 0.00 175.17 176.80 3iss h ARG 232 N 9.41 0.12 -0.20 4.34 0.11 -1.92 -1.72 114.38 124.51 3iss h ARG 232 Ca -0.25 -0.03 -0.13 0.00 0.10 0.00 0.00 59.98 59.67 3iss h ARG 232 Cb 1.06 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 32.13 3iss h ARG 232 CO 1.14 0.27 -0.37 0.82 0.10 0.00 0.00 179.97 181.92 3iss h ILE 233 N 0.12 1.33 -0.70 0.08 1.08 -1.95 -0.30 117.51 117.16 3iss h ILE 233 Ca 0.02 -1.60 -0.02 0.00 -0.39 0.00 0.00 64.86 62.88 3iss h ILE 233 Cb 0.32 1.84 -0.03 0.00 -3.07 0.00 0.00 36.82 35.89 3iss h ILE 233 CO 0.02 0.50 0.38 -0.08 -0.69 0.00 0.00 178.15 178.27 3iss h GLU 234 N 0.29 0.98 -0.25 2.37 4.81 -1.90 -0.78 114.58 120.11 3iss h GLU 234 Ca 0.01 -0.12 0.04 0.00 -0.13 0.00 0.00 59.36 59.16 3iss h GLU 234 Cb 0.97 -0.19 -0.04 0.00 0.63 0.00 0.00 28.75 30.12 3iss h GLU 234 CO 0.08 0.74 0.02 1.15 -0.73 0.00 0.00 179.01 180.28 3iss h THR 235 N 0.96 0.85 -0.72 0.32 2.02 -1.17 -1.76 112.91 113.41 3iss h THR 235 Ca 0.25 -0.04 -0.02 0.00 0.77 0.00 0.00 66.41 67.37 3iss h THR 235 Cb 0.05 0.73 -0.03 0.00 -1.74 0.00 0.00 68.15 67.16 3iss h THR 235 CO -0.04 0.02 0.36 1.23 0.37 0.00 0.00 175.52 177.47 3iss h GLY 236 N 0.11 1.08 1.00 2.16 0.00 -0.82 -1.92 103.07 104.68 3iss h GLY 236 Ca 0.12 -0.50 -0.05 0.00 0.00 0.00 0.00 47.33 46.90 3iss h GLY 236 CO -0.18 0.48 0.19 -0.84 0.00 0.00 0.00 176.54 176.19 3iss h THR 237 N 1.01 1.24 -0.06 4.70 2.02 -0.30 -0.45 112.91 121.08 3iss h THR 237 Ca 0.25 -0.82 -0.23 0.00 0.77 0.00 0.00 66.41 66.38 3iss h THR 237 Cb 0.07 0.65 0.01 0.00 -1.74 0.00 0.00 68.15 67.14 3iss h THR 237 CO -0.04 0.31 -0.89 -0.26 0.37 0.00 0.00 175.52 175.02 3iss h PHE 238 N 0.84 0.86 -0.91 3.16 0.04 -1.20 -0.58 116.94 119.15 3iss h PHE 238 Ca 0.19 -0.42 0.09 0.00 2.80 0.00 0.00 57.97 60.62 3iss h PHE 238 Cb 0.29 -0.11 -0.07 0.00 2.20 0.00 0.00 35.95 38.25 3iss h PHE 238 CO 0.02 1.24 0.56 -0.07 -0.60 0.00 0.00 178.31 179.46 3iss h LEU 239 N 0.38 0.85 -0.56 1.54 3.38 -1.13 -1.59 115.31 118.18 3iss h LEU 239 Ca -0.08 0.03 -0.14 0.00 0.09 0.00 0.00 57.88 57.78 3iss h LEU 239 Cb 1.51 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 42.11 3iss h LEU 239 CO 0.17 0.51 -0.36 0.58 0.09 0.00 0.00 178.44 179.43 3iss h VAL 240 N 0.97 1.28 -0.86 1.22 2.07 -0.90 -1.90 116.25 118.13 3iss h VAL 240 Ca 0.42 -1.52 0.13 0.00 0.82 0.00 0.00 66.70 66.55 3iss h VAL 240 Cb 0.30 1.41 -0.09 0.00 -1.52 0.00 0.00 31.29 31.39 3iss h VAL 240 CO -0.22 0.50 0.48 0.00 0.02 0.00 0.00 177.57 178.35 3iss h ALA 241 N 0.96 1.29 -0.10 1.67 0.00 -0.33 -1.47 119.26 121.28 3iss h ALA 241 Ca 0.06 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 3iss h ALA 241 Cb 0.90 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.61 3iss h ALA 241 CO 0.08 0.01 -0.21 0.00 0.00 0.00 0.00 179.25 179.14 3iss h ALA 242 N 1.52 0.15 0.00 0.00 0.00 -1.09 -3.04 119.26 116.81 3iss h ALA 242 Ca 0.45 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3iss h ALA 242 Cb 0.55 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 3iss h ALA 242 CO -0.31 0.10 -0.02 0.00 0.00 0.00 0.00 179.25 179.02 3iss h ALA 243 N 0.50 1.80 0.00 0.00 0.00 -0.84 -1.22 119.26 119.51 3iss h ALA 243 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3iss h ALA 243 Cb 0.80 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.59 3iss h ALA 243 CO 0.05 0.03 -1.23 0.44 0.00 0.00 0.00 179.25 178.53 3iss n ILE 244 N -4.28 0.48 -0.00 0.00 -5.35 -0.60 -3.88 119.36 105.73 3iss n ILE 244 Ca -0.03 -0.54 0.10 0.00 -0.27 0.00 0.00 62.75 62.01 3iss n ILE 244 Cb 0.11 -0.26 0.28 0.00 -1.74 0.00 0.00 39.64 38.02 3iss n ILE 244 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 3iss n SER 245 N -2.58 3.37 -3.07 7.28 3.41 -0.99 -4.93 113.62 116.11 3iss n SER 245 Ca -0.01 -2.01 -0.22 0.00 -0.26 0.00 0.00 58.87 56.37 3iss n SER 245 Cb 0.55 -0.42 0.02 0.00 -0.26 0.00 0.00 64.21 64.10 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 1.33 -4.25 0.00 4.33 1.74 -1.06 -4.46 116.66 114.28 3iss n ARG 246 Ca 0.21 0.78 0.00 0.00 -0.77 0.00 0.00 57.85 58.07 3iss n ARG 246 Cb 0.53 -5.58 0.00 0.00 -1.02 0.00 0.00 32.46 26.39 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 -1.38 2.57 3.48 -0.13 0.00 -0.50 -4.10 105.19 105.13 3iss n GLY 247 Ca -0.09 -1.95 -0.11 0.00 0.00 0.00 0.00 46.02 43.87 3iss n GLY 247 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iss s LYS 248 N 3.29 0.63 -0.04 1.61 -0.14 -1.18 -2.68 119.74 121.23 3iss s LYS 248 Ca 0.00 0.91 -0.13 0.00 -1.36 0.00 0.00 55.97 55.39 3iss s LYS 248 Cb 0.00 0.21 0.02 0.00 -1.68 0.00 0.00 37.83 36.39 3iss s LYS 248 CO 0.00 -0.11 0.28 -1.50 -0.76 0.00 0.00 175.35 173.26 3iss s ILE 249 N 0.85 0.05 -0.12 2.17 2.07 -0.59 -1.21 121.20 124.42 3iss s ILE 249 Ca -0.04 -0.38 0.02 0.00 -1.41 0.00 0.00 60.65 58.84 3iss s ILE 249 Cb -0.05 -0.54 -0.01 0.00 0.13 0.00 0.00 42.46 41.99 3iss s ILE 249 CO -0.07 -0.21 -0.18 -0.63 -1.91 0.00 0.00 174.94 171.94 3iss s ILE 250 N -0.92 2.59 -0.24 2.00 -1.09 -0.63 -1.18 121.20 121.71 3iss s ILE 250 Ca -0.10 -0.83 -0.09 0.00 -2.23 0.00 0.00 60.65 57.40 3iss s ILE 250 Cb -0.05 -2.05 -0.04 0.00 -1.58 0.00 0.00 42.46 38.74 3iss s ILE 250 CO 0.03 0.54 0.13 0.00 -1.23 0.00 0.00 174.94 174.40 3iss s ARG 252 N 1.30 3.22 -1.01 0.00 1.81 0.76 -1.92 118.95 123.12 3iss s ARG 252 Ca 0.06 -0.57 -0.03 0.00 -1.72 0.00 0.00 55.73 53.48 3iss s ARG 252 Cb -0.15 -2.90 0.00 0.00 -0.45 0.00 0.00 34.95 31.45 3iss s ARG 252 CO 0.06 0.58 0.86 0.09 -0.68 0.00 0.00 175.30 176.20 3iss n ASN 253 N 0.20 -3.28 -4.85 0.23 4.13 -0.73 -0.47 115.26 110.50 3iss n ASN 253 Ca -0.07 -0.47 -0.21 0.00 1.68 0.00 0.00 54.58 55.51 3iss n ASN 253 Cb 0.52 -4.18 -0.04 0.00 -1.54 0.00 0.00 39.78 34.54 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 -3.28 3.89 -0.43 5.41 0.00 -0.16 -4.46 121.76 122.74 3iss s ALA 254 Ca 0.17 -1.78 0.02 0.00 0.00 0.00 0.00 51.96 50.36 3iss s ALA 254 Cb -0.07 -1.04 0.15 0.00 0.00 0.00 0.00 23.12 22.16 3iss s ALA 254 CO 0.59 -0.09 0.27 -1.14 0.00 0.00 0.00 175.76 175.38 3iss s GLN 255 N -4.03 1.07 0.39 0.00 0.74 -1.26 -4.26 119.66 112.32 3iss s GLN 255 Ca 0.44 -1.93 0.12 0.00 0.05 0.00 0.00 55.36 54.04 3iss s GLN 255 Cb -0.04 -1.91 0.93 0.00 1.10 0.00 0.00 33.01 33.09 3iss s GLN 255 CO 0.27 -1.23 1.91 -1.35 -0.55 0.00 0.00 175.29 174.33 3iss h PRO 256 N 6.48 0.54 0.00 1.67 0.11 -1.88 -1.70 132.00 137.21 3iss h PRO 256 Ca 0.08 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.16 3iss h PRO 256 Cb 0.92 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.91 3iss h PRO 256 CO 0.41 0.35 0.00 -0.40 -0.21 0.00 0.00 178.00 178.15 3iss n ASP 257 N -4.51 0.00 0.01 -2.05 5.68 -1.26 -1.05 116.55 113.36 3iss n ASP 257 Ca 0.15 -0.04 0.11 0.00 -0.50 0.00 0.00 54.79 54.51 3iss n ASP 257 Cb 0.47 -0.12 0.08 0.00 -1.14 0.00 0.00 41.12 40.42 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 -1.12 0.04 -1.69 2.12 -1.04 -0.64 -4.44 114.28 107.51 3iss n THR 258 Ca 0.04 -0.06 0.06 0.00 -2.04 0.00 0.00 64.05 62.05 3iss n THR 258 Cb 0.03 0.46 0.12 0.00 -1.82 0.00 0.00 70.33 69.13 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 -1.61 1.84 -0.02 -4.42 4.77 -0.22 -4.90 117.00 112.44 3iss n LEU 259 Ca 0.04 -2.83 -0.14 0.00 -0.03 0.00 0.00 56.01 53.05 3iss n LEU 259 Cb 0.36 -0.31 -0.08 0.00 -2.33 0.00 0.00 43.42 41.06 3iss n LEU 259 CO 0.39 0.85 0.54 0.44 -1.33 0.00 0.00 177.39 178.27 3iss h ASP 260 N 0.56 -1.54 -0.55 -1.43 3.32 -1.78 -0.32 116.42 114.68 3iss h ASP 260 Ca -0.05 0.19 0.07 0.00 0.02 0.00 0.00 57.03 57.27 3iss h ASP 260 Cb 1.24 0.62 -0.06 0.00 0.22 0.00 0.00 39.33 41.35 3iss h ASP 260 CO 0.02 -0.45 0.22 0.00 -1.72 0.00 0.00 179.24 177.30 3iss h ALA 261 N -0.07 0.70 -0.50 3.45 0.00 -1.89 -1.32 119.26 119.63 3iss h ALA 261 Ca 0.06 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 3iss h ALA 261 Cb 0.66 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 3iss h ALA 261 CO -0.44 -0.17 0.18 0.28 0.00 0.00 0.00 179.25 179.10 3iss h VAL 262 N 0.41 1.22 -0.57 0.00 2.07 -1.79 -1.59 116.25 116.00 3iss h VAL 262 Ca 0.27 -0.70 -0.09 0.00 0.82 0.00 0.00 66.70 66.99 3iss h VAL 262 Cb 0.28 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 3iss h VAL 262 CO -0.25 0.26 -0.01 -0.07 0.02 0.00 0.00 177.57 177.52 3iss h LEU 263 N 0.67 0.98 -0.77 2.57 3.38 -0.70 -1.81 115.31 119.64 3iss h LEU 263 Ca 0.17 -0.28 -0.05 0.00 0.09 0.00 0.00 57.88 57.81 3iss h LEU 263 Cb 0.22 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 3iss h LEU 263 CO -0.01 1.04 0.31 0.00 0.09 0.00 0.00 178.44 179.87 3iss h ALA 264 N 1.06 1.01 -0.54 1.53 0.00 -1.03 -1.93 119.26 119.35 3iss h ALA 264 Ca 0.16 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 3iss h ALA 264 Cb 0.55 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3iss h ALA 264 CO 0.03 0.63 -0.08 -0.22 0.00 0.00 0.00 179.25 179.61 3iss h LYS 265 N 1.12 1.01 -0.79 0.00 1.63 -1.03 -2.38 116.57 116.13 3iss h LYS 265 Ca 0.26 -0.36 -0.00 0.00 -0.85 0.00 0.00 60.65 59.69 3iss h LYS 265 Cb 0.22 -0.07 -0.04 0.00 -0.60 0.00 0.00 32.23 31.74 3iss h LYS 265 CO -0.02 1.05 0.49 -0.07 -3.45 0.00 0.00 179.45 177.44 3iss h LEU 266 N 0.88 0.94 -0.64 5.20 3.38 -0.94 -1.77 115.31 122.37 3iss h LEU 266 Ca 0.14 -0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.08 3iss h LEU 266 Cb 0.64 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.12 3iss h LEU 266 CO 0.04 0.72 0.40 0.03 0.09 0.00 0.00 178.44 179.73 3iss h ARG 267 N 1.08 0.78 0.00 1.13 3.08 -1.17 -0.20 114.38 119.07 3iss h ARG 267 Ca 0.29 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.29 3iss h ARG 267 Cb -0.06 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 29.82 3iss h ARG 267 CO -0.06 0.51 -0.01 -0.44 -1.07 0.00 0.00 179.97 178.90 3iss h ASP 268 N 0.80 0.00 0.42 7.04 3.32 -0.90 0.16 116.42 127.26 3iss h ASP 268 Ca 0.25 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.30 3iss h ASP 268 Cb -0.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.54 3iss h ASP 268 CO -0.09 0.01 -0.15 0.00 -1.72 0.00 0.00 179.24 177.29 3iss n ALA 269 N -2.33 2.83 0.00 3.45 0.00 -0.15 -4.72 120.51 119.58 3iss n ALA 269 Ca -0.03 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.14 3iss n ALA 269 Cb 0.10 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.24 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 1.33 1.23 3.86 0.00 0.00 0.56 0.22 105.19 112.39 3iss n GLY 270 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 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 3.31 -0.40 4.61 0.00 -0.81 -4.87 121.76 121.60 3iss s ALA 271 Ca 0.00 -0.04 -0.12 0.00 0.00 0.00 0.00 51.96 51.80 3iss s ALA 271 Cb 0.00 -2.77 0.04 0.00 0.00 0.00 0.00 23.12 20.39 3iss s ALA 271 CO 0.00 0.17 0.26 0.34 0.00 0.00 0.00 175.76 176.52 3iss s ASP 272 N -2.66 5.85 -0.09 0.00 2.15 0.00 -4.42 116.67 117.49 3iss s ASP 272 Ca 0.53 -1.11 0.04 0.00 0.43 0.00 0.00 52.55 52.44 3iss s ASP 272 Cb -0.10 -2.06 -0.00 0.00 -0.30 0.00 0.00 42.92 40.45 3iss s ASP 272 CO 0.23 -0.46 -0.24 -0.63 -0.17 0.00 0.00 175.17 173.91 3iss s ILE 273 N 1.57 2.01 0.09 4.11 1.01 -1.26 -0.36 121.20 128.36 3iss s ILE 273 Ca 0.03 -1.00 0.08 0.00 0.00 0.00 0.00 60.65 59.76 3iss s ILE 273 Cb -0.20 -1.73 -0.03 0.00 0.01 0.00 0.00 42.46 40.50 3iss s ILE 273 CO 0.07 0.55 -0.20 -1.61 0.00 0.00 0.00 174.94 173.74 3iss s GLU 274 N 0.26 1.17 -0.01 2.79 2.02 -0.83 -4.99 118.70 119.10 3iss s GLU 274 Ca -0.16 -1.10 0.06 0.00 0.02 0.00 0.00 54.97 53.79 3iss s GLU 274 Cb -0.17 -1.39 -0.02 0.00 0.10 0.00 0.00 34.13 32.66 3iss s GLU 274 CO 0.08 0.33 -0.19 0.14 0.02 0.00 0.00 175.26 175.64 3iss s VAL 275 N -1.08 1.51 0.00 2.63 -7.23 -1.26 -0.42 120.40 114.56 3iss s VAL 275 Ca 0.06 -0.84 0.00 0.00 -1.81 0.00 0.00 61.98 59.40 3iss s VAL 275 Cb -0.10 -1.26 0.00 0.00 0.56 0.00 0.00 36.38 35.58 3iss s VAL 275 CO 0.04 0.42 0.00 0.61 -0.31 0.00 0.00 175.10 175.85 3iss n GLY 276 N 2.57 2.01 0.14 2.32 0.00 -0.11 -4.99 105.19 107.13 3iss n GLY 276 Ca -0.15 -1.98 0.08 0.00 0.00 0.00 0.00 46.02 43.97 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 -2.01 -3.39 114.58 115.61 3iss h GLU 277 Ca 0.00 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.13 3iss h GLU 277 Cb 0.00 0.00 -0.19 0.00 0.63 0.00 0.00 28.75 29.19 3iss h GLU 277 CO 0.00 0.13 -0.63 -0.40 -0.73 0.00 0.00 179.01 177.37 3iss n ASP 278 N -2.90 0.24 -3.94 1.04 5.75 -1.26 -4.69 116.55 110.79 3iss n ASP 278 Ca -0.01 -1.88 -0.09 0.00 -0.01 0.00 0.00 54.79 52.80 3iss n ASP 278 Cb 0.63 -0.12 -0.09 0.00 -1.03 0.00 0.00 41.12 40.50 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 0.25 -0.02 2.11 1.48 -1.26 -0.99 118.94 120.51 3iss s TRP 279 Ca 0.15 -0.63 0.02 0.00 -1.06 0.00 0.00 56.10 54.58 3iss s TRP 279 Cb 0.17 -0.17 0.00 0.00 -1.16 0.00 0.00 33.47 32.31 3iss s TRP 279 CO -0.07 -0.41 -0.08 0.42 -4.06 0.00 0.00 176.95 172.75 3iss s ILE 280 N -3.13 0.67 0.08 0.66 1.01 -0.81 -0.93 121.20 118.75 3iss s ILE 280 Ca -0.00 -0.31 0.09 0.00 0.00 0.00 0.00 60.65 60.42 3iss s ILE 280 Cb 0.02 -0.60 -0.04 0.00 0.01 0.00 0.00 42.46 41.85 3iss s ILE 280 CO -0.07 0.21 -0.21 -0.94 0.00 0.00 0.00 174.94 173.93 3iss s SER 281 N 0.17 3.65 -0.02 3.58 1.04 0.44 -0.22 113.70 122.34 3iss s SER 281 Ca -0.02 -0.55 0.00 0.00 0.48 0.00 0.00 55.95 55.86 3iss s SER 281 Cb -0.07 -0.47 0.03 0.00 0.10 0.00 0.00 66.02 65.60 3iss s SER 281 CO 0.00 0.22 0.01 -0.22 0.98 0.00 0.00 173.24 174.23 3iss s LEU 282 N -1.75 1.22 -0.08 2.42 0.20 -0.33 -1.97 118.68 118.39 3iss s LEU 282 Ca 0.15 -0.01 0.01 0.00 0.69 0.00 0.00 54.13 54.98 3iss s LEU 282 Cb -0.10 -0.16 0.02 0.00 -0.43 0.00 0.00 46.19 45.51 3iss s LEU 282 CO 0.07 -0.10 -0.11 -0.62 -0.29 0.00 0.00 176.35 175.30 3iss s ASP 283 N 0.93 1.93 0.06 3.68 -1.08 0.51 -1.54 116.67 121.16 3iss s ASP 283 Ca -0.09 -0.31 0.23 0.00 -0.52 0.00 0.00 52.55 51.87 3iss s ASP 283 Cb -0.12 -0.85 0.17 0.00 -1.46 0.00 0.00 42.92 40.66 3iss s ASP 283 CO -0.02 -0.02 1.14 0.23 0.52 0.00 0.00 175.17 177.03 3iss n MET 284 N 4.20 0.24 -3.97 4.34 2.81 -1.09 -0.82 117.12 122.83 3iss n MET 284 Ca -0.20 0.02 -0.28 0.00 -1.81 0.00 0.00 57.70 55.43 3iss n MET 284 Cb 0.51 -1.60 -0.00 0.00 -0.71 0.00 0.00 33.22 31.42 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 -1.92 -1.87 -0.82 2.03 8.25 -1.26 -1.17 115.22 118.45 3iss n HIS 285 Ca 0.03 0.81 0.00 0.00 -0.26 0.00 0.00 57.72 58.30 3iss n HIS 285 Cb 0.42 -3.72 0.00 0.00 1.12 0.00 0.00 29.99 27.81 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 0.62 3.82 -1.41 0.00 -1.26 -4.97 105.19 100.29 3iss n GLY 286 Ca -0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.38 4.22 0.19 1.61 -0.14 -0.31 -4.95 119.74 119.98 3iss s LYS 287 Ca 0.00 1.03 -0.27 0.00 -1.36 0.00 0.00 55.97 55.37 3iss s LYS 287 Cb 0.00 -2.34 -0.08 0.00 -1.68 0.00 0.00 37.83 33.73 3iss s LYS 287 CO 0.00 0.07 0.83 0.50 -0.76 0.00 0.00 175.35 175.98 3iss s ARG 288 N -2.96 4.65 0.61 1.68 3.52 -1.26 -4.49 118.95 120.70 3iss s ARG 288 Ca 0.58 1.26 -0.17 0.00 -0.13 0.00 0.00 55.73 57.26 3iss s ARG 288 Cb -0.11 -3.24 -0.02 0.00 -1.56 0.00 0.00 34.95 30.02 3iss s ARG 288 CO 0.16 0.54 1.14 -1.25 -0.81 0.00 0.00 175.30 175.08 3iss s PRO 289 N -1.21 2.98 -0.03 5.12 0.04 -1.26 -4.83 135.00 135.81 3iss s PRO 289 Ca 0.38 1.57 -0.08 0.00 0.04 0.00 0.00 61.00 62.91 3iss s PRO 289 Cb -0.24 -1.96 -0.05 0.00 0.04 0.00 0.00 34.50 32.30 3iss s PRO 289 CO 0.28 -1.14 0.25 0.15 0.04 0.00 0.00 177.00 176.57 3iss s LYS 290 N -3.66 3.58 0.48 4.56 -0.14 0.13 -0.99 119.74 123.72 3iss s LYS 290 Ca 0.71 -0.03 -0.24 0.00 -1.36 0.00 0.00 55.97 55.06 3iss s LYS 290 Cb -0.24 -3.13 -0.07 0.00 -1.68 0.00 0.00 37.83 32.71 3iss s LYS 290 CO 0.35 0.69 1.34 0.00 -0.76 0.00 0.00 175.35 176.97 3iss n ALA 291 N 1.46 1.58 -2.38 5.17 0.00 -0.56 -4.34 120.51 121.44 3iss n ALA 291 Ca -0.14 0.20 -0.19 0.00 0.00 0.00 0.00 53.44 53.31 3iss n ALA 291 Cb 0.53 -2.33 -0.10 0.00 0.00 0.00 0.00 19.45 17.55 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 -1.24 1.20 -0.10 0.00 -7.23 -1.26 -4.86 120.40 106.91 3iss s VAL 292 Ca 0.66 -2.05 0.01 0.00 -1.81 0.00 0.00 61.98 58.79 3iss s VAL 292 Cb -0.45 -2.48 -0.02 0.00 0.56 0.00 0.00 36.38 33.99 3iss s VAL 292 CO 0.54 -0.24 -0.14 0.20 -0.31 0.00 0.00 175.10 175.15 3iss s ASN 293 N -3.38 3.97 0.01 4.85 0.02 -1.26 -3.27 114.94 115.87 3iss s ASN 293 Ca 0.31 -0.29 0.02 0.00 -1.02 0.00 0.00 52.86 51.88 3iss s ASN 293 Cb 0.06 -1.32 -0.01 0.00 0.02 0.00 0.00 41.25 40.00 3iss s ASN 293 CO 0.11 0.23 -0.08 -0.69 0.02 0.00 0.00 177.10 176.69 3iss s VAL 294 N -0.03 0.62 -0.16 1.60 1.01 -0.38 -4.99 120.40 118.07 3iss s VAL 294 Ca -0.03 -0.50 -0.00 0.00 0.00 0.00 0.00 61.98 61.44 3iss s VAL 294 Cb -0.14 -0.56 0.04 0.00 0.00 0.00 0.00 36.38 35.72 3iss s VAL 294 CO 0.04 0.06 -0.07 -0.60 0.00 0.00 0.00 175.10 174.53 3iss s ARG 295 N -0.49 1.57 0.49 2.72 3.52 -1.26 -0.18 118.95 125.32 3iss s ARG 295 Ca 0.01 -0.52 -0.21 0.00 -0.13 0.00 0.00 55.73 54.88 3iss s ARG 295 Cb -0.04 -2.00 -0.08 0.00 -1.56 0.00 0.00 34.95 31.27 3iss s ARG 295 CO -0.00 -0.40 1.09 0.95 -0.81 0.00 0.00 175.30 176.14 3iss s THR 296 N 1.61 3.46 0.10 4.11 -4.23 -0.25 -4.32 115.64 116.11 3iss s THR 296 Ca 0.01 0.97 -0.26 0.00 -1.18 0.00 0.00 61.69 61.23 3iss s THR 296 Cb -0.15 -3.43 0.09 0.00 1.34 0.00 0.00 72.50 70.35 3iss s THR 296 CO -0.08 -0.13 1.10 0.00 -0.54 0.00 0.00 174.62 174.96 3iss s ALA 297 N -1.79 -1.87 0.70 3.99 0.00 -0.39 -3.66 121.76 118.74 3iss s ALA 297 Ca 0.67 0.20 -0.16 0.00 0.00 0.00 0.00 51.96 52.66 3iss s ALA 297 Cb -0.22 0.60 0.02 0.00 0.00 0.00 0.00 23.12 23.52 3iss s ALA 297 CO 0.26 -1.06 1.25 -2.14 0.00 0.00 0.00 175.76 174.07 3iss s PRO 298 N -2.71 2.27 0.37 0.00 0.02 -1.26 -4.30 135.00 129.38 3iss s PRO 298 Ca 0.16 1.92 -0.25 0.00 0.02 0.00 0.00 61.00 62.85 3iss s PRO 298 Cb 0.00 -1.83 -0.13 0.00 0.02 0.00 0.00 34.50 32.57 3iss s PRO 298 CO 0.01 -1.78 0.78 1.58 -0.33 0.00 0.00 177.00 177.26 3iss n HIS 299 N -2.39 0.37 -0.38 6.54 -0.00 -1.26 -1.86 115.22 116.23 3iss n HIS 299 Ca 0.15 0.64 0.05 0.00 0.46 0.00 0.00 57.72 59.02 3iss n HIS 299 Cb 0.49 -2.11 0.29 0.00 -0.12 0.00 0.00 29.99 28.54 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 0.52 3.84 -0.80 1.57 -0.04 -1.26 -4.57 135.00 134.25 3iss n PRO 300 Ca 0.11 -2.30 -0.30 0.00 -0.04 0.00 0.00 63.50 60.97 3iss n PRO 300 Cb 0.37 -2.06 0.26 0.00 -0.04 0.00 0.00 33.50 32.03 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 -2.29 0.07 0.12 0.55 0.00 -0.78 -4.36 121.76 115.08 3iss s ALA 301 Ca 0.40 -0.92 -0.31 0.00 0.00 0.00 0.00 51.96 51.12 3iss s ALA 301 Cb 0.30 -2.90 -0.09 0.00 0.00 0.00 0.00 23.12 20.44 3iss s ALA 301 CO 0.12 -4.02 1.50 0.12 0.00 0.00 0.00 175.76 173.48 3iss s PHE 302 N -2.72 3.04 0.14 0.00 2.19 -1.26 -4.79 117.98 114.57 3iss s PHE 302 Ca 0.70 0.72 -0.30 0.00 0.33 0.00 0.00 56.93 58.38 3iss s PHE 302 Cb -0.11 -3.82 -0.06 0.00 -1.31 0.00 0.00 43.02 37.71 3iss s PHE 302 CO 0.57 -3.03 0.99 -1.25 1.83 0.00 0.00 175.22 174.32 3iss s PRO 303 N 1.40 4.70 0.38 10.12 0.05 -1.26 -1.26 135.00 149.13 3iss s PRO 303 Ca 0.68 1.51 0.12 0.00 0.05 0.00 0.00 61.00 63.36 3iss s PRO 303 Cb -0.40 -3.35 0.92 0.00 0.05 0.00 0.00 34.50 31.72 3iss s PRO 303 CO 0.31 0.22 1.89 0.00 0.05 0.00 0.00 177.00 179.47 3iss h THR 304 N 3.88 0.81 0.00 1.26 1.03 -1.93 -0.86 112.91 117.10 3iss h THR 304 Ca -0.43 -0.20 0.00 0.00 -0.01 0.00 0.00 66.41 65.77 3iss h THR 304 Cb 1.21 0.19 0.00 0.00 -1.07 0.00 0.00 68.15 68.48 3iss h THR 304 CO 0.72 0.11 0.00 0.47 -0.01 0.00 0.00 175.52 176.80 3iss n ASP 305 N -4.53 0.00 -0.28 0.00 8.00 -1.26 -1.09 116.55 117.39 3iss n ASP 305 Ca 0.16 0.33 0.05 0.00 0.71 0.00 0.00 54.79 56.05 3iss n ASP 305 Cb 0.50 -0.38 0.01 0.00 -0.02 0.00 0.00 41.12 41.23 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 -1.38 1.76 -0.16 -1.24 2.81 -0.34 -4.76 117.12 113.82 3iss n MET 306 Ca 0.02 -0.73 -0.06 0.00 -1.81 0.00 0.00 57.70 55.13 3iss n MET 306 Cb 0.05 -1.12 0.04 0.00 -0.71 0.00 0.00 33.22 31.47 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 1.38 0.55 -0.43 0.03 -0.00 -1.05 -2.37 115.11 113.22 3iss h GLN 307 Ca 0.00 -0.03 -0.12 0.00 -0.00 0.00 0.00 58.65 58.50 3iss h GLN 307 Cb 0.38 -0.12 -0.01 0.00 0.00 0.00 0.00 27.48 27.73 3iss h GLN 307 CO 0.00 0.36 -0.22 0.00 0.00 0.00 0.00 178.83 178.97 3iss h ALA 308 N 1.23 0.81 -0.78 3.38 0.00 -1.86 -0.72 119.26 121.31 3iss h ALA 308 Ca 0.20 -0.38 0.01 0.00 0.00 0.00 0.00 54.91 54.74 3iss h ALA 308 Cb 0.04 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 3iss h ALA 308 CO -0.10 0.65 0.51 1.96 0.00 0.00 0.00 179.25 182.26 3iss h GLN 309 N 0.75 1.04 0.00 0.00 7.50 -1.79 -1.89 115.11 120.71 3iss h GLN 309 Ca 0.10 -0.07 -0.06 0.00 0.50 0.00 0.00 58.65 59.12 3iss h GLN 309 Cb 0.76 -0.23 -0.01 0.00 0.05 0.00 0.00 27.48 28.05 3iss h GLN 309 CO 0.06 0.70 -0.28 0.74 -1.50 0.00 0.00 178.83 178.55 3iss h PHE 310 N 1.06 0.00 -0.47 2.96 -1.00 -1.20 -2.00 116.94 116.30 3iss h PHE 310 Ca 0.29 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 61.04 3iss h PHE 310 Cb -0.10 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.43 3iss h PHE 310 CO -0.02 0.28 0.20 1.15 -1.61 0.00 0.00 178.31 178.31 3iss h THR 311 N 0.00 1.20 -0.17 -1.55 2.02 -0.66 -1.89 112.91 111.86 3iss h THR 311 Ca -0.00 -0.62 0.00 0.00 0.77 0.00 0.00 66.41 66.56 3iss h THR 311 Cb 1.01 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 68.15 3iss h THR 311 CO 0.04 0.23 0.11 0.25 0.37 0.00 0.00 175.52 176.52 3iss h LEU 312 N 0.62 0.20 -0.28 2.58 5.85 -1.01 -1.09 115.31 122.18 3iss h LEU 312 Ca 0.16 -0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.91 3iss h LEU 312 Cb 0.18 -0.05 -0.08 0.00 0.37 0.00 0.00 40.66 41.08 3iss h LEU 312 CO -0.01 0.17 -0.33 0.25 -0.34 0.00 0.00 178.44 178.17 3iss h LEU 313 N 0.22 -1.07 -1.80 2.25 6.46 -1.26 0.38 115.31 120.49 3iss h LEU 313 Ca 0.06 0.17 0.05 0.00 -0.12 0.00 0.00 57.88 58.05 3iss h LEU 313 Cb 0.00 0.48 -0.02 0.00 -0.73 0.00 0.00 40.66 40.39 3iss h LEU 313 CO -0.01 -0.34 0.24 0.78 -0.62 0.00 0.00 178.44 178.48 3iss h ASN 314 N -0.32 0.22 1.17 1.25 2.35 -1.09 -2.30 115.58 116.85 3iss h ASN 314 Ca 0.14 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 3iss h ASN 314 Cb 0.55 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.87 3iss h ASN 314 CO -0.46 0.14 0.00 -0.07 -1.65 0.00 0.00 177.43 175.40 3iss h LEU 315 N 0.25 0.00 -3.06 1.61 3.38 0.40 -2.78 115.31 115.11 3iss h LEU 315 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3iss h LEU 315 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 3iss h LEU 315 CO -0.03 0.00 0.00 1.33 0.09 0.00 0.00 178.44 179.83 3iss n VAL 316 N -2.77 1.78 -2.95 1.22 0.24 -0.91 -0.69 118.33 114.25 3iss n VAL 316 Ca 0.02 -1.86 -0.19 0.00 -2.04 0.00 0.00 64.34 60.27 3iss n VAL 316 Cb 0.34 -0.07 0.04 0.00 -1.47 0.00 0.00 33.84 32.68 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 -2.42 4.48 -0.32 2.33 0.00 -0.97 -4.70 121.76 120.17 3iss s ALA 317 Ca 0.29 -1.84 -0.22 0.00 0.00 0.00 0.00 51.96 50.19 3iss s ALA 317 Cb 0.24 -1.63 -0.00 0.00 0.00 0.00 0.00 23.12 21.73 3iss s ALA 317 CO 0.05 -0.65 0.72 -2.00 0.00 0.00 0.00 175.76 173.88 3iss s GLU 318 N -4.58 3.89 0.00 0.00 2.12 -0.16 -4.02 118.70 115.95 3iss s GLU 318 Ca 0.59 0.40 0.00 0.00 0.36 0.00 0.00 54.97 56.32 3iss s GLU 318 Cb -0.08 -3.75 0.00 0.00 0.26 0.00 0.00 34.13 30.56 3iss s GLU 318 CO 0.37 -0.67 0.00 0.41 -0.54 0.00 0.00 175.26 174.83 3iss n GLY 319 N 4.37 -1.61 3.38 -1.50 0.00 -1.26 -1.50 105.19 107.07 3iss n GLY 319 Ca 0.01 -2.06 -0.33 0.00 0.00 0.00 0.00 46.02 43.65 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 2.95 0.04 2.61 2.01 -1.26 -1.80 115.64 120.20 3iss s THR 320 Ca 0.00 -0.72 0.01 0.00 0.31 0.00 0.00 61.69 61.29 3iss s THR 320 Cb 0.00 -2.20 -0.03 0.00 0.01 0.00 0.00 72.50 70.28 3iss s THR 320 CO 0.00 0.55 -0.06 -0.83 -0.69 0.00 0.00 174.62 173.59 3iss s GLY 321 N 0.05 0.45 0.15 4.40 0.00 -0.80 -4.74 107.32 106.83 3iss s GLY 321 Ca -0.05 -0.82 0.11 0.00 0.00 0.00 0.00 44.72 43.96 3iss s GLY 321 CO 0.04 -0.89 -0.26 -0.11 0.00 0.00 0.00 173.10 171.88 3iss s PHE 322 N -1.91 2.30 -0.13 1.90 -0.71 -1.20 -0.72 117.98 117.51 3iss s PHE 322 Ca -0.08 -0.38 0.01 0.00 -1.04 0.00 0.00 56.93 55.44 3iss s PHE 322 Cb -0.07 -1.22 0.02 0.00 -1.21 0.00 0.00 43.02 40.55 3iss s PHE 322 CO -0.02 0.38 -0.14 0.42 -1.34 0.00 0.00 175.22 174.53 3iss s ILE 323 N -1.22 1.47 -0.14 -4.49 1.01 -0.56 -1.25 121.20 116.02 3iss s ILE 323 Ca 0.16 -0.59 -0.04 0.00 0.00 0.00 0.00 60.65 60.18 3iss s ILE 323 Cb -0.09 -1.38 -0.03 0.00 0.01 0.00 0.00 42.46 40.96 3iss s ILE 323 CO 0.07 0.44 -0.01 -0.89 0.00 0.00 0.00 174.94 174.55 3iss s THR 324 N 1.37 4.13 -0.25 2.92 2.01 0.74 -0.92 115.64 125.65 3iss s THR 324 Ca 0.02 -0.28 -0.07 0.00 0.31 0.00 0.00 61.69 61.67 3iss s THR 324 Cb -0.13 -2.80 -0.02 0.00 0.01 0.00 0.00 72.50 69.55 3iss s THR 324 CO -0.08 0.51 0.06 -0.70 -0.69 0.00 0.00 174.62 173.72 3iss s GLU 325 N 0.09 3.56 0.00 4.92 2.56 -0.54 -1.09 118.70 128.19 3iss s GLU 325 Ca 0.01 -0.54 0.11 0.00 0.00 0.00 0.00 54.97 54.55 3iss s GLU 325 Cb -0.13 -3.29 -0.02 0.00 2.00 0.00 0.00 34.13 32.69 3iss s GLU 325 CO 0.02 -0.22 0.64 0.25 -0.56 0.00 0.00 175.26 175.39 3iss n THR 326 N 4.90 0.00 -0.13 -1.70 -2.24 -1.24 -4.54 114.28 109.34 3iss n THR 326 Ca -0.16 -0.37 -0.26 0.00 -2.27 0.00 0.00 64.05 60.99 3iss n THR 326 Cb 0.51 1.11 -0.09 0.00 -2.10 0.00 0.00 70.33 69.76 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 -0.37 1.53 -3.89 2.28 0.31 -1.26 -4.79 118.33 112.14 3iss n VAL 327 Ca 0.04 -0.28 -0.30 0.00 -0.01 0.00 0.00 64.34 63.79 3iss n VAL 327 Cb 0.22 -1.96 -0.14 0.00 -0.91 0.00 0.00 33.84 31.06 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 -2.53 2.91 -0.75 3.52 0.08 -1.26 -5.01 117.98 114.94 3iss s PHE 328 Ca -0.36 -2.77 0.16 0.00 0.12 0.00 0.00 56.93 54.07 3iss s PHE 328 Cb 0.13 -2.51 0.70 0.00 -0.57 0.00 0.00 43.02 40.77 3iss s PHE 328 CO 0.49 -0.83 1.50 0.39 -0.10 0.00 0.00 175.22 176.67 3iss n GLU 329 N 3.78 0.08 -0.64 0.44 1.02 -1.26 -2.26 120.64 121.79 3iss n GLU 329 Ca 0.04 0.38 0.01 0.00 -0.02 0.00 0.00 57.16 57.58 3iss n GLU 329 Cb 0.37 -1.67 0.21 0.00 -0.02 0.00 0.00 31.44 30.33 3iss n GLU 329 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3iss n ASN 330 N -1.82 2.85 -3.89 1.62 3.02 -1.22 -4.67 115.26 111.14 3iss n ASN 330 Ca 0.02 -3.51 -0.43 0.00 -0.03 0.00 0.00 54.58 50.63 3iss n ASN 330 Cb 0.15 -0.59 0.01 0.00 -0.61 0.00 0.00 39.78 38.73 3iss n ASN 330 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 3iss n ARG 331 N -0.97 4.09 -0.17 3.52 0.63 -0.96 -4.56 116.66 118.24 3iss n ARG 331 Ca 0.28 -3.99 0.01 0.00 -0.92 0.00 0.00 57.85 53.23 3iss n ARG 331 Cb 0.96 -2.72 0.01 0.00 0.45 0.00 0.00 32.46 31.15 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 2.57 0.00 0.26 -0.14 3.72 -1.26 -4.86 117.46 117.75 3iss n PHE 332 Ca 0.35 -0.12 0.14 0.00 -0.05 0.00 0.00 57.45 57.77 3iss n PHE 332 Cb 0.34 -0.03 0.83 0.00 -0.94 0.00 0.00 39.48 39.68 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 0.00 0.00 -1.08 2.86 -1.97 0.10 114.93 114.84 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 1.08 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.74 3iss h MET 333 CO 0.00 0.00 -0.02 1.12 1.06 0.00 0.00 176.91 179.07 3iss h HIS 334 N 0.00 0.00 0.42 -0.22 -0.00 -1.94 -3.25 115.15 110.15 3iss h HIS 334 Ca 0.03 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.38 3iss h HIS 334 Cb 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.56 3iss h HIS 334 CO 0.00 0.02 -0.20 0.28 -0.00 0.00 0.00 177.93 178.03 3iss h VAL 335 N 0.00 0.59 -0.49 6.12 2.07 -1.36 -1.07 116.25 122.11 3iss h VAL 335 Ca -0.00 -0.16 0.04 0.00 0.82 0.00 0.00 66.70 67.40 3iss h VAL 335 Cb 0.03 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 30.44 3iss h VAL 335 CO 0.00 0.03 0.33 -0.65 0.02 0.00 0.00 177.57 177.30 3iss h PRO 336 N -0.65 0.52 -0.27 1.57 0.11 -1.72 -0.38 132.00 131.18 3iss h PRO 336 Ca -0.06 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.00 3iss h PRO 336 Cb 0.48 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.46 3iss h PRO 336 CO 0.09 0.34 0.07 0.93 -0.21 0.00 0.00 178.00 179.23 3iss h GLU 337 N 0.54 0.43 0.00 1.05 4.39 -1.54 -2.26 114.58 117.18 3iss h GLU 337 Ca 0.20 -0.10 -0.03 0.00 0.34 0.00 0.00 59.36 59.77 3iss h GLU 337 Cb 0.13 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 28.72 3iss h GLU 337 CO -0.05 0.51 -0.15 -0.07 -1.16 0.00 0.00 179.01 178.10 3iss h LEU 338 N 0.26 0.00 -1.33 1.33 3.38 -0.44 -0.74 115.31 117.77 3iss h LEU 338 Ca 0.08 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.99 3iss h LEU 338 Cb 0.28 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 3iss h LEU 338 CO 0.00 0.15 -0.21 0.28 0.09 0.00 0.00 178.44 178.75 3iss h SER 339 N 0.00 0.18 0.18 -0.43 0.02 -0.52 -0.79 113.55 112.19 3iss h SER 339 Ca -0.00 -0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 60.89 3iss h SER 339 Cb 0.29 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 62.78 3iss h SER 339 CO 0.02 0.41 -0.05 0.03 -1.14 0.00 0.00 176.83 176.10 3iss h ARG 340 N 0.18 0.00 -0.63 3.45 3.08 -0.74 -2.14 114.38 117.57 3iss h ARG 340 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 3iss h ARG 340 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.52 3iss h ARG 340 CO 0.03 0.05 0.00 -1.33 -1.07 0.00 0.00 179.97 177.65 3iss n MET 341 N -3.66 2.66 -0.19 0.04 2.81 -0.35 -4.82 117.12 113.60 3iss n MET 341 Ca -0.02 -2.30 0.00 0.00 -1.81 0.00 0.00 57.70 53.56 3iss n MET 341 Cb 0.15 -1.56 0.00 0.00 -0.71 0.00 0.00 33.22 31.10 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 1.39 0.72 3.78 3.03 0.00 -0.81 -0.52 105.19 112.78 3iss n GLY 342 Ca 0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.23 2.61 -0.33 4.61 0.00 -0.89 -4.97 121.76 120.56 3iss s ALA 343 Ca 0.00 0.58 -0.00 0.00 0.00 0.00 0.00 51.96 52.54 3iss s ALA 343 Cb 0.00 -3.31 0.08 0.00 0.00 0.00 0.00 23.12 19.89 3iss s ALA 343 CO 0.00 -0.99 0.05 -1.01 0.00 0.00 0.00 175.76 173.81 3iss s HIS 344 N -2.20 3.45 0.01 0.00 0.09 -1.26 -4.50 115.29 110.89 3iss s HIS 344 Ca 0.68 -2.31 -0.08 0.00 -0.00 0.00 0.00 55.06 53.35 3iss s HIS 344 Cb -0.20 -2.55 0.00 0.00 -0.00 0.00 0.00 32.58 29.83 3iss s HIS 344 CO 0.36 -0.89 0.16 0.00 -0.00 0.00 0.00 174.74 174.36 3iss s ALA 345 N 1.13 -0.33 0.09 -1.40 0.00 -1.26 -1.34 121.76 118.65 3iss s ALA 345 Ca 0.01 -0.19 0.07 0.00 0.00 0.00 0.00 51.96 51.85 3iss s ALA 345 Cb -0.20 0.17 -0.03 0.00 0.00 0.00 0.00 23.12 23.05 3iss s ALA 345 CO -0.04 -0.26 -0.17 -1.83 0.00 0.00 0.00 175.76 173.46 3iss s GLU 346 N -1.81 0.99 -0.29 0.00 1.03 -0.53 -4.98 118.70 113.11 3iss s GLU 346 Ca -0.11 -1.09 -0.05 0.00 0.03 0.00 0.00 54.97 53.74 3iss s GLU 346 Cb -0.05 -1.08 0.02 0.00 -0.80 0.00 0.00 34.13 32.21 3iss s GLU 346 CO -0.00 0.24 0.04 0.42 -1.33 0.00 0.00 175.26 174.63 3iss s ILE 347 N -1.37 3.62 -0.37 1.83 1.01 -1.26 -0.16 121.20 124.50 3iss s ILE 347 Ca 0.03 -0.85 -0.07 0.00 0.00 0.00 0.00 60.65 59.76 3iss s ILE 347 Cb -0.09 -2.89 0.06 0.00 0.01 0.00 0.00 42.46 39.55 3iss s ILE 347 CO 0.03 0.08 0.16 -1.61 0.00 0.00 0.00 174.94 173.60 3iss s GLU 348 N 1.43 2.57 6.46 2.79 0.41 0.18 -4.98 118.70 127.57 3iss s GLU 348 Ca 0.01 -1.31 0.00 0.00 -0.41 0.00 0.00 54.97 53.26 3iss s GLU 348 Cb -0.17 -3.58 0.00 0.00 -1.78 0.00 0.00 34.13 28.60 3iss s GLU 348 CO 0.01 -0.79 0.00 0.45 -0.49 0.00 0.00 175.26 174.44 3iss n SER 349 N 4.83 0.00 -1.32 -0.19 2.88 -1.26 -1.23 113.62 117.33 3iss n SER 349 Ca -0.11 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.40 3iss n SER 349 Cb 0.44 0.00 0.23 0.00 -0.75 0.00 0.00 64.21 64.12 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 9.45 3.29 -4.17 -3.46 0.23 -1.26 -4.92 115.26 114.42 3iss n ASN 350 Ca 0.00 -3.49 -0.29 0.00 -0.53 0.00 0.00 54.58 50.28 3iss n ASN 350 Cb 0.00 -0.65 -0.17 0.00 -2.08 0.00 0.00 39.78 36.89 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 -3.11 1.70 -0.24 5.53 2.01 -0.37 -1.47 115.64 119.69 3iss s THR 351 Ca 0.47 -0.84 -0.11 0.00 0.31 0.00 0.00 61.69 61.52 3iss s THR 351 Cb 0.40 -1.47 -0.05 0.00 0.01 0.00 0.00 72.50 71.40 3iss s THR 351 CO 0.05 0.48 0.17 0.54 -0.69 0.00 0.00 174.62 175.17 3iss s VAL 352 N 0.20 5.35 -0.30 3.82 0.11 -0.09 -0.64 120.40 128.85 3iss s VAL 352 Ca -0.10 0.20 -0.13 0.00 -2.93 0.00 0.00 61.98 59.03 3iss s VAL 352 Cb -0.15 -3.51 -0.04 0.00 -1.53 0.00 0.00 36.38 31.15 3iss s VAL 352 CO 0.05 0.34 0.25 -0.63 -3.33 0.00 0.00 175.10 171.78 3iss s ILE 353 N 1.09 5.27 -0.09 7.04 1.01 0.78 -1.50 121.20 134.79 3iss s ILE 353 Ca 0.08 0.16 -0.00 0.00 0.00 0.00 0.00 60.65 60.88 3iss s ILE 353 Cb -0.14 -3.63 -0.03 0.00 0.01 0.00 0.00 42.46 38.68 3iss s ILE 353 CO 0.05 0.15 -0.06 0.00 0.00 0.00 0.00 174.94 175.08 3iss s HIS 355 N -0.54 3.46 0.22 0.00 3.76 -0.45 -1.90 115.29 119.84 3iss s HIS 355 Ca 0.08 -2.67 -0.32 0.00 -0.15 0.00 0.00 55.06 52.00 3iss s HIS 355 Cb -0.12 -2.48 -0.13 0.00 1.11 0.00 0.00 32.58 30.96 3iss s HIS 355 CO 0.02 -0.91 1.58 0.41 -0.85 0.00 0.00 174.74 174.98 3iss n GLY 356 N 4.35 1.19 3.84 -2.22 0.00 -0.74 -4.24 105.19 107.37 3iss n GLY 356 Ca -0.03 0.57 -0.21 0.00 0.00 0.00 0.00 46.02 46.34 3iss n GLY 356 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3iss s VAL 357 N 0.55 3.27 0.04 1.61 -7.23 0.14 -4.72 120.40 114.06 3iss s VAL 357 Ca 0.72 -1.42 -0.17 0.00 -1.81 0.00 0.00 61.98 59.29 3iss s VAL 357 Cb -0.59 -3.11 -0.20 0.00 0.56 0.00 0.00 36.38 33.03 3iss s VAL 357 CO 0.42 -0.14 1.19 -0.08 -0.31 0.00 0.00 175.10 176.17 3iss h GLU 358 N 1.26 0.54 -2.37 4.82 4.22 -1.86 -3.37 114.58 117.81 3iss h GLU 358 Ca -0.44 -0.50 -0.08 0.00 0.08 0.00 0.00 59.36 58.42 3iss h GLU 358 Cb 1.26 0.12 -0.20 0.00 0.50 0.00 0.00 28.75 30.43 3iss h GLU 358 CO 0.59 1.13 0.01 -1.59 -2.18 0.00 0.00 179.01 176.96 3iss s LYS 359 N -3.48 0.86 0.44 1.92 -2.85 -1.26 -5.02 119.74 110.34 3iss s LYS 359 Ca -0.12 0.26 0.01 0.00 -1.00 0.00 0.00 55.97 55.11 3iss s LYS 359 Cb 0.05 0.40 -0.00 0.00 -2.06 0.00 0.00 37.83 36.22 3iss s LYS 359 CO 0.85 -0.23 0.65 -0.51 0.10 0.00 0.00 175.35 176.21 3iss s LEU 360 N -0.88 3.68 -0.07 2.77 1.43 -1.26 -4.96 118.68 119.38 3iss s LEU 360 Ca -0.09 0.25 0.03 0.00 -1.03 0.00 0.00 54.13 53.30 3iss s LEU 360 Cb -0.02 -3.14 -0.02 0.00 0.03 0.00 0.00 46.19 43.04 3iss s LEU 360 CO 0.06 -0.67 -0.18 -0.44 0.23 0.00 0.00 176.35 175.35 3iss s SER 361 N -4.21 3.71 0.55 2.29 0.01 0.32 0.47 113.70 116.85 3iss s SER 361 Ca 0.48 -0.33 -0.21 0.00 1.31 0.00 0.00 55.95 57.20 3iss s SER 361 Cb -0.10 -1.04 -0.06 0.00 0.21 0.00 0.00 66.02 65.04 3iss s SER 361 CO 0.37 0.27 1.13 0.61 0.41 0.00 0.00 173.24 176.03 3iss n GLY 362 N 2.84 0.14 3.82 3.44 0.00 -0.90 -4.38 105.19 110.15 3iss n GLY 362 Ca -0.17 -0.03 -0.05 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.39 -1.40 -0.15 4.61 0.00 -1.10 -4.81 121.76 117.53 3iss s ALA 363 Ca 0.73 -0.27 -0.20 0.00 0.00 0.00 0.00 51.96 52.21 3iss s ALA 363 Cb -0.44 0.71 -0.03 0.00 0.00 0.00 0.00 23.12 23.36 3iss s ALA 363 CO 0.49 -1.04 0.57 -0.65 0.00 0.00 0.00 175.76 175.13 3iss s GLN 364 N -2.72 4.29 0.11 0.00 -0.21 -1.26 -1.87 119.66 117.99 3iss s GLN 364 Ca 0.16 0.58 0.03 0.00 0.02 0.00 0.00 55.36 56.15 3iss s GLN 364 Cb -0.03 -3.51 -0.04 0.00 1.00 0.00 0.00 33.01 30.43 3iss s GLN 364 CO 0.06 -0.04 -0.08 0.14 -2.12 0.00 0.00 175.29 173.24 3iss s VAL 365 N 1.25 0.86 -0.16 1.09 -7.23 -0.16 -4.96 120.40 111.09 3iss s VAL 365 Ca 0.29 -1.84 0.01 0.00 -1.81 0.00 0.00 61.98 58.63 3iss s VAL 365 Cb -0.16 -1.57 0.01 0.00 0.56 0.00 0.00 36.38 35.22 3iss s VAL 365 CO 0.12 -0.73 -0.18 -0.32 -0.31 0.00 0.00 175.10 173.67 3iss s MET 366 N -3.41 3.10 0.45 4.82 1.75 -1.26 -0.58 119.30 124.18 3iss s MET 366 Ca 0.10 -0.80 -0.21 0.00 -1.25 0.00 0.00 55.69 53.53 3iss s MET 366 Cb 0.02 -2.57 -0.10 0.00 2.84 0.00 0.00 34.83 35.01 3iss s MET 366 CO -0.02 -0.07 0.98 0.00 -0.65 0.00 0.00 175.02 175.26 3iss s ALA 367 N 0.99 2.97 0.00 4.11 0.00 -0.96 -4.96 121.76 123.92 3iss s ALA 367 Ca -0.02 0.48 0.00 0.00 0.00 0.00 0.00 51.96 52.41 3iss s ALA 367 Cb -0.15 -3.19 0.00 0.00 0.00 0.00 0.00 23.12 19.78 3iss s ALA 367 CO -0.04 -0.05 0.00 0.25 0.00 0.00 0.00 175.76 175.92 3iss n THR 368 N -0.78 0.00 -3.96 0.00 -2.24 -1.26 -4.86 114.28 101.18 3iss n THR 368 Ca 0.08 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.57 3iss n THR 368 Cb 0.53 0.40 -0.16 0.00 -2.10 0.00 0.00 70.33 69.01 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 2.90 0.37 3.42 -1.08 -1.26 -5.02 116.67 116.00 3iss s ASP 369 Ca 0.00 -0.65 0.28 0.00 -0.52 0.00 0.00 52.55 51.66 3iss s ASP 369 Cb 0.00 -1.09 1.23 0.00 -1.46 0.00 0.00 42.92 41.61 3iss s ASP 369 CO 0.00 -0.13 1.28 -0.11 0.52 0.00 0.00 175.17 176.73 3iss n LEU 370 N 4.79 0.16 -0.04 -1.34 7.94 -1.26 -1.69 117.00 125.56 3iss n LEU 370 Ca -0.14 1.11 -0.07 0.00 -1.11 0.00 0.00 56.01 55.80 3iss n LEU 370 Cb 0.48 -0.55 -0.03 0.00 0.53 0.00 0.00 43.42 43.85 3iss n LEU 370 CO 0.19 -1.20 -0.77 0.54 -1.11 0.00 0.00 177.39 175.04 3iss n ARG 371 N -4.28 0.18 -0.07 1.96 5.12 -1.26 -4.12 116.66 114.19 3iss n ARG 371 Ca 0.33 0.06 0.04 0.00 -1.93 0.00 0.00 57.85 56.36 3iss n ARG 371 Cb 1.31 -0.96 0.38 0.00 -1.16 0.00 0.00 32.46 32.04 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 -0.16 1.68 0.00 7.54 0.00 -1.81 -2.63 119.26 123.88 3iss h ALA 372 Ca -0.19 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3iss h ALA 372 Cb 1.22 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3iss h ALA 372 CO -0.08 0.27 0.00 0.43 0.00 0.00 0.00 179.25 179.87 3iss n SER 373 N -4.46 0.49 0.04 0.00 7.64 -0.68 -1.62 113.62 115.01 3iss n SER 373 Ca 0.06 0.62 0.20 0.00 1.01 0.00 0.00 58.87 60.75 3iss n SER 373 Cb 0.10 -0.72 0.72 0.00 -1.01 0.00 0.00 64.21 63.30 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 2.35 2.35 0.00 -0.43 0.00 -1.70 0.55 119.26 122.39 3iss h ALA 374 Ca 0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3iss h ALA 374 Cb 0.35 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 3iss h ALA 374 CO 0.00 -0.63 -0.16 0.66 0.00 0.00 0.00 179.25 179.13 3iss h SER 375 N 0.00 0.00 -0.10 0.00 4.64 -1.52 -1.30 113.55 115.27 3iss h SER 375 Ca 0.23 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.38 3iss h SER 375 Cb 0.99 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.07 3iss h SER 375 CO -0.00 0.16 -0.54 -0.07 -0.87 0.00 0.00 176.83 175.51 3iss h LEU 376 N 0.00 0.76 -0.28 5.97 3.38 -1.10 0.71 115.31 124.75 3iss h LEU 376 Ca -0.00 -0.40 -0.03 0.00 0.09 0.00 0.00 57.88 57.54 3iss h LEU 376 Cb 0.36 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3iss h LEU 376 CO 0.02 1.15 0.06 0.58 0.09 0.00 0.00 178.44 180.34 3iss h VAL 377 N 0.53 1.22 -0.64 1.22 2.07 -1.39 -1.35 116.25 117.92 3iss h VAL 377 Ca 0.01 -0.75 0.03 0.00 0.82 0.00 0.00 66.70 66.81 3iss h VAL 377 Cb 1.11 1.18 -0.04 0.00 -1.52 0.00 0.00 31.29 32.01 3iss h VAL 377 CO 0.11 0.24 0.39 -0.07 0.02 0.00 0.00 177.57 178.26 3iss h LEU 378 N 0.28 0.63 -0.88 2.57 4.07 -1.07 -1.37 115.31 119.55 3iss h LEU 378 Ca 0.09 0.00 0.04 0.00 0.08 0.00 0.00 57.88 58.09 3iss h LEU 378 Cb 0.31 -0.13 -0.05 0.00 1.08 0.00 0.00 40.66 41.87 3iss h LEU 378 CO 0.00 0.44 0.56 0.00 -1.08 0.00 0.00 178.44 178.37 3iss h ALA 379 N 1.28 1.16 -0.79 1.53 0.00 -0.59 -1.72 119.26 120.13 3iss h ALA 379 Ca 0.26 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.18 3iss h ALA 379 Cb 0.03 -0.30 -0.05 0.00 0.00 0.00 0.00 17.79 17.48 3iss h ALA 379 CO -0.11 0.41 0.52 0.78 0.00 0.00 0.00 179.25 180.85 3iss h GLY 380 N 1.09 1.11 1.65 0.00 0.00 -0.14 -0.78 103.07 106.01 3iss h GLY 380 Ca 0.35 -0.37 -0.03 0.00 0.00 0.00 0.00 47.33 47.28 3iss h GLY 380 CO -0.12 0.30 0.08 0.00 0.00 0.00 0.00 176.54 176.80 3iss n ILE 382 N -4.36 0.00 -1.67 0.00 -5.35 -0.83 -1.59 119.36 105.55 3iss n ILE 382 Ca 0.01 -0.27 -0.31 0.00 -0.27 0.00 0.00 62.75 61.92 3iss n ILE 382 Cb 0.17 1.13 0.05 0.00 -1.74 0.00 0.00 39.64 39.25 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 -2.08 2.66 -0.58 -1.28 0.00 -0.36 -4.50 121.76 115.63 3iss s ALA 383 Ca 0.11 -0.11 -0.25 0.00 0.00 0.00 0.00 51.96 51.71 3iss s ALA 383 Cb 0.13 -3.11 0.04 0.00 0.00 0.00 0.00 23.12 20.17 3iss s ALA 383 CO 0.48 -1.27 1.01 -2.00 0.00 0.00 0.00 175.76 173.98 3iss s GLU 384 N -5.16 3.33 0.00 0.00 2.56 0.18 -1.45 118.70 118.16 3iss s GLU 384 Ca 0.58 -0.23 0.00 0.00 0.00 0.00 0.00 54.97 55.32 3iss s GLU 384 Cb -0.13 -4.07 0.00 0.00 2.00 0.00 0.00 34.13 31.93 3iss s GLU 384 CO 0.54 -1.59 0.00 0.41 -0.56 0.00 0.00 175.26 174.06 3iss n GLY 385 N 5.14 0.47 3.36 -1.50 0.00 0.27 -2.12 105.19 110.82 3iss n GLY 385 Ca 0.02 -1.71 -0.34 0.00 0.00 0.00 0.00 46.02 43.99 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 3.28 -0.09 2.61 2.01 -1.26 -0.89 115.64 121.31 3iss s THR 386 Ca 0.00 -0.56 0.02 0.00 0.31 0.00 0.00 61.69 61.47 3iss s THR 386 Cb 0.00 -2.43 -0.02 0.00 0.01 0.00 0.00 72.50 70.06 3iss s THR 386 CO 0.00 0.48 -0.17 -0.89 -0.69 0.00 0.00 174.62 173.36 3iss s THR 387 N 0.77 2.78 -0.27 -0.82 2.01 0.19 -2.72 115.64 117.59 3iss s THR 387 Ca -0.03 -0.79 -0.04 0.00 0.31 0.00 0.00 61.69 61.14 3iss s THR 387 Cb -0.15 -2.11 0.02 0.00 0.01 0.00 0.00 72.50 70.26 3iss s THR 387 CO 0.01 0.55 0.01 -0.69 -0.69 0.00 0.00 174.62 173.81 3iss s VAL 388 N -0.05 3.40 -0.48 3.82 1.01 -0.78 -0.17 120.40 127.14 3iss s VAL 388 Ca -0.04 -0.85 -0.18 0.00 0.00 0.00 0.00 61.98 60.91 3iss s VAL 388 Cb -0.14 -2.73 0.06 0.00 0.00 0.00 0.00 36.38 33.56 3iss s VAL 388 CO 0.04 0.15 0.54 -0.69 0.00 0.00 0.00 175.10 175.14 3iss s VAL 389 N 1.41 5.01 0.45 2.92 1.01 0.17 -0.98 120.40 130.39 3iss s VAL 389 Ca 0.01 -0.63 -0.20 0.00 0.00 0.00 0.00 61.98 61.16 3iss s VAL 389 Cb -0.17 -4.21 -0.10 0.00 0.00 0.00 0.00 36.38 31.90 3iss s VAL 389 CO -0.01 -0.69 0.98 -0.62 0.00 0.00 0.00 175.10 174.76 3iss s ASP 390 N 2.54 6.72 -0.53 3.32 2.15 0.26 -1.67 116.67 129.46 3iss s ASP 390 Ca 0.12 1.76 -0.03 0.00 0.43 0.00 0.00 52.55 54.83 3iss s ASP 390 Cb -0.20 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 39.88 3iss s ASP 390 CO 0.11 -0.52 0.46 -1.14 -0.17 0.00 0.00 175.17 173.91 3iss n ARG 391 N -0.80 -3.12 0.00 4.34 0.63 -1.16 -2.27 116.66 114.28 3iss n ARG 391 Ca 0.08 0.33 0.08 0.00 -0.92 0.00 0.00 57.85 57.41 3iss n ARG 391 Cb 0.53 -3.83 0.48 0.00 0.45 0.00 0.00 32.46 30.10 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 -3.44 0.00 0.20 5.15 -5.35 -1.23 -3.33 119.36 111.36 3iss n ILE 392 Ca -0.00 0.00 0.09 0.00 -0.27 0.00 0.00 62.75 62.57 3iss n ILE 392 Cb 0.53 -0.50 0.63 0.00 -1.74 0.00 0.00 39.64 38.55 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 0.05 -0.35 4.28 -0.00 -1.90 0.91 116.97 119.95 3iss h TYR 393 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 58.73 58.79 3iss h TYR 393 Cb 0.00 -0.02 -0.05 0.00 0.00 0.00 0.00 36.73 36.66 3iss h TYR 393 CO 0.00 0.03 0.06 0.45 -0.00 0.00 0.00 178.16 178.70 3iss h HIS 394 N 0.06 0.09 -0.08 0.10 3.86 -1.93 -2.32 115.15 114.93 3iss h HIS 394 Ca 0.05 0.02 -0.07 0.00 -1.16 0.00 0.00 60.37 59.21 3iss h HIS 394 Cb 0.14 0.01 -0.01 0.00 1.06 0.00 0.00 27.41 28.61 3iss h HIS 394 CO -0.00 0.00 -0.29 0.82 0.86 0.00 0.00 177.93 179.32 3iss h ILE 395 N 0.17 1.24 0.00 2.45 2.04 -1.12 -1.79 117.51 120.50 3iss h ILE 395 Ca 0.17 -1.14 -0.01 0.00 1.00 0.00 0.00 64.86 64.89 3iss h ILE 395 Cb 0.20 1.51 -0.00 0.00 -0.74 0.00 0.00 36.82 37.78 3iss h ILE 395 CO -0.23 0.34 -0.03 0.44 0.00 0.00 0.00 178.15 178.67 3iss h ASP 396 N 0.13 0.00 1.28 1.72 3.32 -0.72 -0.70 116.42 121.44 3iss h ASP 396 Ca 0.02 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.00 3iss h ASP 396 Cb 0.58 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.12 3iss h ASP 396 CO 0.04 0.03 -0.33 0.03 -1.72 0.00 0.00 179.24 177.28 3iss h ARG 397 N 0.00 0.00 0.00 3.56 3.08 -1.05 -2.51 114.38 117.46 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 0.26 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.28 3iss h ARG 397 CO 0.00 0.33 -1.66 0.41 -1.07 0.00 0.00 179.97 177.98 3iss n GLY 398 N 0.73 -0.52 3.06 0.04 0.00 -0.38 -3.66 105.19 104.46 3iss n GLY 398 Ca 0.01 -0.20 -0.22 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.40 1.16 -0.61 1.61 2.02 -0.52 -4.94 117.35 113.67 3iss s TYR 399 Ca -0.05 -0.27 -0.28 0.00 -0.37 0.00 0.00 57.07 56.10 3iss s TYR 399 Cb 0.04 -0.78 0.03 0.00 -0.40 0.00 0.00 41.96 40.85 3iss s TYR 399 CO 0.44 -0.08 1.27 -2.00 -1.57 0.00 0.00 175.55 173.62 3iss s GLU 400 N -0.04 3.39 -1.02 -0.62 2.12 -1.26 -4.42 118.70 116.84 3iss s GLU 400 Ca 0.00 0.20 -0.14 0.00 0.36 0.00 0.00 54.97 55.39 3iss s GLU 400 Cb -0.07 -4.08 -0.01 0.00 0.26 0.00 0.00 34.13 30.23 3iss s GLU 400 CO 0.00 -1.85 0.75 0.54 -0.54 0.00 0.00 175.26 174.16 3iss n ARG 401 N 8.70 -1.28 0.14 4.30 1.74 -1.26 -4.87 116.66 124.12 3iss n ARG 401 Ca 0.08 0.67 0.01 0.00 -0.77 0.00 0.00 57.85 57.85 3iss n ARG 401 Cb 0.49 -4.07 0.34 0.00 -1.02 0.00 0.00 32.46 28.20 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 -1.25 1.24 -0.08 0.55 2.10 -1.95 -2.79 117.51 115.32 3iss h ILE 402 Ca -0.55 -1.12 -0.10 0.00 1.08 0.00 0.00 64.86 64.16 3iss h ILE 402 Cb 1.31 1.49 -0.01 0.00 -1.09 0.00 0.00 36.82 38.52 3iss h ILE 402 CO 0.43 0.33 -0.39 1.05 -1.08 0.00 0.00 178.15 178.49 3iss h GLU 403 N 0.14 0.17 -0.21 2.19 9.09 -1.97 -1.82 114.58 122.16 3iss h GLU 403 Ca 0.02 -0.07 -0.07 0.00 0.05 0.00 0.00 59.36 59.28 3iss h GLU 403 Cb 0.58 -0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.67 3iss h GLU 403 CO 0.04 0.54 -0.15 -0.44 0.05 0.00 0.00 179.01 179.05 3iss h ASP 404 N 0.14 0.50 -0.45 3.06 3.32 -1.86 -1.43 116.42 119.70 3iss h ASP 404 Ca 0.01 -0.44 -0.09 0.00 0.02 0.00 0.00 57.03 56.54 3iss h ASP 404 Cb 0.76 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.15 3iss h ASP 404 CO 0.06 0.84 -0.03 0.11 -1.72 0.00 0.00 179.24 178.50 3iss h LYS 405 N 0.17 0.88 -0.43 3.56 1.57 -1.48 -1.90 116.57 118.94 3iss h LYS 405 Ca 0.04 -0.26 -0.14 0.00 -1.87 0.00 0.00 60.65 58.42 3iss h LYS 405 Cb 0.67 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.88 3iss h LYS 405 CO 0.04 0.89 -0.29 -0.07 -0.57 0.00 0.00 179.45 179.46 3iss h LEU 406 N 0.81 0.98 -0.70 2.94 3.38 -1.30 -2.98 115.31 118.44 3iss h LEU 406 Ca 0.15 -0.40 -0.10 0.00 0.09 0.00 0.00 57.88 57.61 3iss h LEU 406 Cb 0.52 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 3iss h LEU 406 CO 0.03 1.19 -0.12 -0.09 0.09 0.00 0.00 178.44 179.53 3iss h ARG 407 N 0.79 0.88 0.00 1.13 2.43 -1.14 -0.46 114.38 118.01 3iss h ARG 407 Ca 0.09 -0.31 0.00 0.00 -0.81 0.00 0.00 59.98 58.95 3iss h ARG 407 Cb 0.86 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.35 3iss h ARG 407 CO 0.08 0.95 0.00 0.00 -1.51 0.00 0.00 179.97 179.49 3iss n ALA 408 N -2.49 1.57 0.24 2.80 0.00 -0.73 -0.87 120.51 121.03 3iss n ALA 408 Ca 0.01 -0.04 0.07 0.00 0.00 0.00 0.00 53.44 53.48 3iss n ALA 408 Cb 0.39 -1.14 0.11 0.00 0.00 0.00 0.00 19.45 18.81 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 -1.28 2.54 0.00 0.00 4.77 -0.32 -4.71 117.00 117.99 3iss n LEU 409 Ca 0.04 -1.41 0.00 0.00 -0.03 0.00 0.00 56.01 54.60 3iss n LEU 409 Cb 0.07 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 3iss n LEU 409 CO 0.06 0.55 0.00 0.61 -1.33 0.00 0.00 177.39 177.29 3iss n GLY 410 N 0.75 1.15 3.75 -0.72 0.00 -0.05 -1.39 105.19 108.67 3iss n GLY 410 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 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 3.38 -0.87 4.61 0.00 -0.38 -4.79 121.76 121.72 3iss s ALA 411 Ca 0.00 0.82 -0.13 0.00 0.00 0.00 0.00 51.96 52.65 3iss s ALA 411 Cb 0.00 -3.31 0.23 0.00 0.00 0.00 0.00 23.12 20.04 3iss s ALA 411 CO 0.00 -0.10 0.81 -0.80 0.00 0.00 0.00 175.76 175.67 3iss s ASN 412 N -0.73 6.84 -0.04 0.00 0.01 -1.26 -4.29 114.94 115.47 3iss s ASN 412 Ca 0.45 -2.81 -0.02 0.00 -0.71 0.00 0.00 52.86 49.77 3iss s ASN 412 Cb -0.30 -2.21 0.02 0.00 0.41 0.00 0.00 41.25 39.16 3iss s ASN 412 CO 0.38 -0.54 0.09 -0.51 -1.51 0.00 0.00 177.10 175.01 3iss s ILE 413 N -0.01 -0.02 0.00 0.60 2.07 -1.26 -1.25 121.20 121.33 3iss s ILE 413 Ca 0.20 0.06 0.01 0.00 -1.41 0.00 0.00 60.65 59.51 3iss s ILE 413 Cb -0.10 -0.14 -0.01 0.00 0.13 0.00 0.00 42.46 42.34 3iss s ILE 413 CO -0.09 0.02 -0.05 -0.70 -1.91 0.00 0.00 174.94 172.22 3iss s GLU 414 N 0.38 0.39 -0.39 3.50 2.12 0.06 -4.98 118.70 119.79 3iss s GLU 414 Ca -0.03 -0.24 -0.16 0.00 0.36 0.00 0.00 54.97 54.90 3iss s GLU 414 Cb -0.04 -0.34 0.01 0.00 0.26 0.00 0.00 34.13 34.01 3iss s GLU 414 CO -0.01 0.09 0.38 0.50 -0.54 0.00 0.00 175.26 175.68 3iss s ARG 415 N -0.30 3.25 0.29 4.30 3.52 -1.26 -0.19 118.95 128.56 3iss s ARG 415 Ca 0.00 -0.69 0.08 0.00 -0.13 0.00 0.00 55.73 55.00 3iss s ARG 415 Cb -0.03 -3.91 -0.04 0.00 -1.56 0.00 0.00 34.95 29.41 3iss s ARG 415 CO -0.00 -0.71 0.10 0.14 -0.81 0.00 0.00 175.30 174.02 3iss s VAL 416 N 2.00 3.50 -0.43 7.11 -7.23 -0.44 -4.94 120.40 119.96 3iss s VAL 416 Ca 0.10 -1.70 0.04 0.00 -1.81 0.00 0.00 61.98 58.61 3iss s VAL 416 Cb -0.17 -3.02 0.46 0.00 0.56 0.00 0.00 36.38 34.21 3iss s VAL 416 CO 0.12 -0.29 1.53 0.29 -0.31 0.00 0.00 175.10 176.44 3iss n LYS 417 N -1.07 3.10 0.00 4.82 4.76 -1.26 -1.54 118.16 126.97 3iss n LYS 417 Ca -0.05 -3.75 0.00 0.00 -2.87 0.00 0.00 58.31 51.64 3iss n LYS 417 Cb 0.60 -2.24 0.00 0.00 -1.84 0.00 0.00 35.03 31.55 3iss n LYS 417 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44