#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 4.29 0.06 7.83 1.11 -1.26 -4.05 116.67 124.65 3iss s ASP 2 Ca 0.00 2.53 0.00 0.00 0.18 0.00 0.00 52.55 55.26 3iss s ASP 2 Cb 0.00 -2.61 -0.04 0.00 1.07 0.00 0.00 42.92 41.35 3iss s ASP 2 CO 0.00 -2.21 -0.05 -0.54 1.18 0.00 0.00 175.17 173.55 3iss s LYS 3 N -3.63 0.65 -0.20 8.23 1.02 -0.54 -3.06 119.74 122.20 3iss s LYS 3 Ca 0.79 -1.16 -0.08 0.00 0.02 0.00 0.00 55.97 55.55 3iss s LYS 3 Cb -0.34 0.01 -0.04 0.00 -0.52 0.00 0.00 37.83 36.94 3iss s LYS 3 CO 0.43 -0.06 0.07 -0.06 -0.92 0.00 0.00 175.35 174.82 3iss s PHE 4 N -3.33 3.21 -0.20 3.18 0.08 -0.62 -1.38 117.98 118.92 3iss s PHE 4 Ca 0.05 -0.02 -0.12 0.00 0.12 0.00 0.00 56.93 56.96 3iss s PHE 4 Cb 0.04 -2.13 -0.05 0.00 -0.57 0.00 0.00 43.02 40.31 3iss s PHE 4 CO -0.06 0.03 0.21 0.50 -0.10 0.00 0.00 175.22 175.80 3iss s ARG 5 N 0.72 4.18 -0.02 0.44 3.52 0.49 -0.53 118.95 127.74 3iss s ARG 5 Ca 0.04 -0.10 0.05 0.00 -0.13 0.00 0.00 55.73 55.59 3iss s ARG 5 Cb -0.13 -3.47 -0.01 0.00 -1.56 0.00 0.00 34.95 29.78 3iss s ARG 5 CO 0.02 0.18 -0.19 0.08 -0.81 0.00 0.00 175.30 174.58 3iss s VAL 6 N 0.67 1.51 -0.14 7.11 1.01 0.53 -0.73 120.40 130.37 3iss s VAL 6 Ca 0.11 -0.80 0.02 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 34.99 3iss s VAL 6 CO 0.02 0.43 -0.19 -1.10 0.00 0.00 0.00 175.10 174.26 3iss s GLN 7 N -0.30 3.11 0.28 2.72 -1.52 0.06 -1.02 119.66 123.00 3iss s GLN 7 Ca 0.04 -0.81 0.06 0.00 -1.95 0.00 0.00 55.36 52.70 3iss s GLN 7 Cb -0.09 -2.50 -0.02 0.00 -0.22 0.00 0.00 33.01 30.17 3iss s GLN 7 CO 0.00 0.02 0.22 0.41 -0.25 0.00 0.00 175.29 175.70 3iss n GLY 8 N 4.00 3.13 3.84 3.09 0.00 0.16 -4.16 105.19 115.24 3iss n GLY 8 Ca -0.19 -1.87 -0.31 0.00 0.00 0.00 0.00 46.02 43.64 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 -3.13 3.39 -0.15 1.61 0.04 -0.75 -1.16 135.00 134.84 3iss s PRO 9 Ca 0.32 0.92 -0.12 0.00 0.04 0.00 0.00 61.00 62.15 3iss s PRO 9 Cb 0.02 -2.05 0.04 0.00 0.04 0.00 0.00 34.50 32.55 3iss s PRO 9 CO 0.22 -0.74 0.40 -0.08 0.04 0.00 0.00 177.00 176.85 3iss s THR 10 N -2.95 -0.01 -0.35 1.26 -1.32 -0.47 -4.99 115.64 106.83 3iss s THR 10 Ca 0.58 0.03 -0.16 0.00 -1.21 0.00 0.00 61.69 60.93 3iss s THR 10 Cb -0.13 -0.57 -0.01 0.00 -1.51 0.00 0.00 72.50 70.29 3iss s THR 10 CO 0.48 0.01 0.40 -0.75 -2.21 0.00 0.00 174.62 172.55 3iss s LYS 11 N 0.57 3.56 -0.24 7.08 2.20 -1.26 -4.56 119.74 127.10 3iss s LYS 11 Ca -0.03 -0.37 -0.26 0.00 -0.36 0.00 0.00 55.97 54.95 3iss s LYS 11 Cb -0.05 -3.81 0.00 0.00 -1.51 0.00 0.00 37.83 32.46 3iss s LYS 11 CO -0.03 -0.56 0.91 -0.51 -0.36 0.00 0.00 175.35 174.79 3iss s LEU 12 N 2.11 4.09 0.12 5.43 1.43 -1.26 -4.73 118.68 125.87 3iss s LEU 12 Ca 0.13 1.17 -0.16 0.00 -1.03 0.00 0.00 54.13 54.24 3iss s LEU 12 Cb -0.16 -3.33 0.04 0.00 0.03 0.00 0.00 46.19 42.77 3iss s LEU 12 CO 0.12 -0.58 0.41 0.00 0.23 0.00 0.00 176.35 176.53 3iss s GLN 13 N 2.98 1.07 0.00 1.70 -2.07 -0.53 -3.39 119.66 119.42 3iss s GLN 13 Ca 0.38 -0.69 0.00 0.00 -1.82 0.00 0.00 55.36 53.23 3iss s GLN 13 Cb -0.15 0.47 0.00 0.00 -1.09 0.00 0.00 33.01 32.24 3iss s GLN 13 CO 0.07 -0.42 0.00 0.41 -1.32 0.00 0.00 175.29 174.03 3iss n GLY 14 N -0.22 0.16 3.20 2.60 0.00 -0.56 -4.44 105.19 105.93 3iss n GLY 14 Ca -0.16 -1.76 -0.12 0.00 0.00 0.00 0.00 46.02 43.98 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 -0.47 1.13 -0.07 1.61 -1.05 -1.26 -1.70 118.70 116.89 3iss s GLU 15 Ca 0.00 -1.58 -0.12 0.00 -0.15 0.00 0.00 54.97 53.12 3iss s GLU 15 Cb 0.00 0.17 0.03 0.00 -0.44 0.00 0.00 34.13 33.88 3iss s GLU 15 CO 0.00 -0.32 0.30 0.54 0.95 0.00 0.00 175.26 176.73 3iss s VAL 16 N -4.05 0.03 -0.24 1.83 0.11 -0.44 -4.82 120.40 112.82 3iss s VAL 16 Ca 0.33 -0.25 -0.11 0.00 -2.93 0.00 0.00 61.98 59.03 3iss s VAL 16 Cb 0.07 -0.51 -0.05 0.00 -1.53 0.00 0.00 36.38 34.36 3iss s VAL 16 CO 0.08 -0.14 0.17 -0.89 -3.33 0.00 0.00 175.10 171.00 3iss s THR 17 N -0.56 5.36 0.03 5.04 2.01 -1.26 -0.42 115.64 125.83 3iss s THR 17 Ca -0.07 0.20 -0.30 0.00 0.31 0.00 0.00 61.69 61.83 3iss s THR 17 Cb -0.04 -3.51 -0.04 0.00 0.01 0.00 0.00 72.50 68.92 3iss s THR 17 CO 0.02 0.34 1.08 -0.63 -0.69 0.00 0.00 174.62 174.74 3iss s ILE 18 N 1.05 4.48 0.80 1.82 -1.09 -0.16 -4.94 121.20 123.16 3iss s ILE 18 Ca 0.08 1.79 -0.12 0.00 -2.23 0.00 0.00 60.65 60.17 3iss s ILE 18 Cb -0.13 -4.14 0.07 0.00 -1.58 0.00 0.00 42.46 36.67 3iss s ILE 18 CO 0.04 0.14 1.14 -0.44 -1.23 0.00 0.00 174.94 174.60 3iss s SER 19 N 1.02 4.55 0.66 3.58 0.01 -1.26 -4.84 113.70 117.42 3iss s SER 19 Ca 0.55 0.95 -0.16 0.00 1.31 0.00 0.00 55.95 58.60 3iss s SER 19 Cb -0.25 -1.56 0.00 0.00 0.21 0.00 0.00 66.02 64.43 3iss s SER 19 CO 0.29 -1.89 1.19 -0.83 0.41 0.00 0.00 173.24 172.41 3iss s GLY 20 N -4.36 2.47 -0.19 3.44 0.00 -1.23 -1.85 107.32 105.61 3iss s GLY 20 Ca 0.61 0.88 -0.29 0.00 0.00 0.00 0.00 44.72 45.92 3iss s GLY 20 CO 0.51 1.27 1.86 0.00 0.00 0.00 0.00 173.10 176.74 3iss s ALA 21 N -1.88 3.13 0.25 3.20 0.00 0.25 -4.34 121.76 122.37 3iss s ALA 21 Ca 0.74 0.66 -0.05 0.00 0.00 0.00 0.00 51.96 53.32 3iss s ALA 21 Cb -0.28 -3.93 0.47 0.00 0.00 0.00 0.00 23.12 19.37 3iss s ALA 21 CO 0.40 -2.20 1.67 -0.22 0.00 0.00 0.00 175.76 175.41 3iss h LYS 22 N 12.13 0.22 -0.05 0.00 3.64 -1.90 0.31 116.57 130.91 3iss h LYS 22 Ca -0.38 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.98 3iss h LYS 22 Cb 1.19 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.96 3iss h LYS 22 CO 0.98 0.14 0.00 0.09 -2.27 0.00 0.00 179.45 178.40 3iss n ASN 23 N -5.21 0.61 -0.13 4.20 3.02 -1.26 -1.87 115.26 114.62 3iss n ASN 23 Ca 0.14 -1.49 -0.23 0.00 -0.03 0.00 0.00 54.58 52.97 3iss n ASN 23 Cb 0.47 -0.03 -0.11 0.00 -0.61 0.00 0.00 39.78 39.50 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 -0.40 1.37 -0.20 5.41 0.00 -0.55 -4.38 120.51 121.76 3iss n ALA 24 Ca 0.16 -1.06 0.01 0.00 0.00 0.00 0.00 53.44 52.54 3iss n ALA 24 Cb 0.17 0.04 0.10 0.00 0.00 0.00 0.00 19.45 19.76 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 -0.49 0.60 0.23 0.00 0.00 -0.78 -2.04 119.26 116.79 3iss h ALA 25 Ca -0.62 0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 3iss h ALA 25 Cb 1.72 0.32 0.00 0.00 0.00 0.00 0.00 17.79 19.84 3iss h ALA 25 CO -0.25 -0.39 -0.11 -0.07 0.00 0.00 0.00 179.25 178.42 3iss h LEU 26 N 0.12 -0.26 -1.09 0.00 4.07 -1.61 -0.13 115.31 116.40 3iss h LEU 26 Ca 0.32 -0.05 -0.08 0.00 0.08 0.00 0.00 57.88 58.15 3iss h LEU 26 Cb 0.52 0.07 -0.01 0.00 1.08 0.00 0.00 40.66 42.31 3iss h LEU 26 CO -0.52 -0.12 -0.18 -0.65 -1.08 0.00 0.00 178.44 175.88 3iss h PRO 27 N -0.39 0.42 -0.16 1.13 0.11 -1.74 -2.75 132.00 128.62 3iss h PRO 27 Ca -0.03 -0.13 -0.02 0.00 0.11 0.00 0.00 66.00 65.92 3iss h PRO 27 Cb 0.30 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.36 3iss h PRO 27 CO 0.05 0.60 0.02 0.82 -0.21 0.00 0.00 178.00 179.28 3iss h ILE 28 N 0.39 1.23 -0.98 4.15 2.04 -1.19 -0.50 117.51 122.65 3iss h ILE 28 Ca 0.07 -0.74 0.18 0.00 1.00 0.00 0.00 64.86 65.37 3iss h ILE 28 Cb 0.54 1.40 -0.09 0.00 -0.74 0.00 0.00 36.82 37.93 3iss h ILE 28 CO 0.04 0.22 0.61 -0.07 0.00 0.00 0.00 178.15 178.95 3iss h LEU 29 N 0.05 0.71 0.00 1.44 4.07 -0.91 -0.56 115.31 120.11 3iss h LEU 29 Ca 0.05 0.08 -0.17 0.00 0.08 0.00 0.00 57.88 57.91 3iss h LEU 29 Cb 0.32 -0.05 -0.02 0.00 1.08 0.00 0.00 40.66 41.98 3iss h LEU 29 CO 0.00 0.28 -0.83 -0.26 -1.08 0.00 0.00 178.44 176.55 3iss h PHE 30 N 0.71 0.00 0.00 1.13 0.04 -1.28 -3.05 116.94 114.49 3iss h PHE 30 Ca 0.54 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 61.26 3iss h PHE 30 Cb 0.91 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.06 3iss h PHE 30 CO -0.00 0.80 -0.24 0.00 -0.60 0.00 0.00 178.31 178.26 3iss h ALA 31 N 1.20 1.17 -0.15 2.45 0.00 0.26 -2.69 119.26 121.49 3iss h ALA 31 Ca -0.02 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 54.71 3iss h ALA 31 Cb 1.62 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.37 3iss h ALA 31 CO 0.10 0.31 0.15 0.00 0.00 0.00 0.00 179.25 179.81 3iss h ALA 32 N 1.76 1.83 0.00 0.00 0.00 -1.04 -0.79 119.26 121.02 3iss h ALA 32 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3iss h ALA 32 Cb 0.62 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3iss h ALA 32 CO 0.03 -0.23 0.09 -0.07 0.00 0.00 0.00 179.25 179.07 3iss h LEU 33 N 0.00 0.00 0.00 0.00 3.38 -1.63 0.11 115.31 117.17 3iss h LEU 33 Ca 0.07 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.96 3iss h LEU 33 Cb 0.38 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 3iss h LEU 33 CO -0.00 0.00 -0.62 -0.07 0.09 0.00 0.00 178.44 177.84 3iss h LEU 34 N 0.00 0.00 -9.71 1.67 3.38 -1.36 -3.47 115.31 105.81 3iss h LEU 34 Ca 0.00 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.46 3iss h LEU 34 Cb 0.19 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.95 3iss h LEU 34 CO 0.00 0.37 0.51 0.00 0.09 0.00 0.00 178.44 179.41 3iss s ALA 35 N -3.04 3.41 -1.37 1.53 0.00 0.39 -4.41 121.76 118.26 3iss s ALA 35 Ca 0.03 0.90 0.16 0.00 0.00 0.00 0.00 51.96 53.05 3iss s ALA 35 Cb 0.07 -3.37 -0.03 0.00 0.00 0.00 0.00 23.12 19.79 3iss s ALA 35 CO 0.75 -0.26 0.83 0.39 0.00 0.00 0.00 175.76 177.46 3iss n GLU 36 N 1.99 1.70 -4.45 0.00 1.02 -0.60 -4.38 120.64 115.93 3iss n GLU 36 Ca 0.02 -0.68 -0.24 0.00 -0.02 0.00 0.00 57.16 56.23 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 -2.00 1.69 0.70 3.49 0.41 -1.22 -4.72 118.70 117.04 3iss s GLU 37 Ca 0.12 -1.70 -0.16 0.00 -0.41 0.00 0.00 54.97 52.81 3iss s GLU 37 Cb 0.13 -1.81 0.01 0.00 -1.78 0.00 0.00 34.13 30.67 3iss s GLU 37 CO 0.45 0.34 1.10 -2.30 -0.49 0.00 0.00 175.26 174.36 3iss n PRO 38 N -0.48 0.70 -4.02 0.39 -0.02 -1.26 -4.00 135.00 126.30 3iss n PRO 38 Ca -0.06 0.30 -0.12 0.00 -2.02 0.00 0.00 63.50 61.60 3iss n PRO 38 Cb 0.59 -2.34 -0.12 0.00 -0.02 0.00 0.00 33.50 31.61 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 -1.69 0.31 -0.15 -1.45 0.11 -0.21 -2.41 120.40 114.92 3iss s VAL 39 Ca 0.77 -0.83 0.00 0.00 -2.93 0.00 0.00 61.98 58.99 3iss s VAL 39 Cb -0.36 -0.39 0.02 0.00 -1.53 0.00 0.00 36.38 34.12 3iss s VAL 39 CO 0.47 -0.34 -0.15 -0.70 -3.33 0.00 0.00 175.10 171.05 3iss s GLU 40 N -1.24 2.34 -0.24 1.54 2.12 -0.17 -1.26 118.70 121.78 3iss s GLU 40 Ca -0.10 -0.58 -0.09 0.00 0.36 0.00 0.00 54.97 54.57 3iss s GLU 40 Cb -0.08 -2.12 -0.04 0.00 0.26 0.00 0.00 34.13 32.15 3iss s GLU 40 CO -0.00 -0.22 0.11 0.42 -0.54 0.00 0.00 175.26 175.03 3iss s ILE 41 N 1.44 4.84 0.21 -3.70 1.09 -0.02 -1.73 121.20 123.33 3iss s ILE 41 Ca 0.04 0.00 0.05 0.00 -1.10 0.00 0.00 60.65 59.64 3iss s ILE 41 Cb -0.13 -3.25 -0.03 0.00 -1.06 0.00 0.00 42.46 37.99 3iss s ILE 41 CO -0.10 0.35 0.29 -1.10 -0.10 0.00 0.00 174.94 174.28 3iss s GLN 42 N 1.23 3.30 -1.25 2.79 -0.21 0.71 -0.55 119.66 125.68 3iss s GLN 42 Ca 0.06 -0.78 -0.07 0.00 0.02 0.00 0.00 55.36 54.59 3iss s GLN 42 Cb -0.14 -2.83 0.01 0.00 1.00 0.00 0.00 33.01 31.04 3iss s GLN 42 CO 0.05 0.45 0.90 -1.71 -2.12 0.00 0.00 175.29 172.86 3iss n ASN 43 N -1.06 -5.81 -4.71 5.90 5.15 -0.40 -1.97 115.26 112.36 3iss n ASN 43 Ca -0.08 -0.41 -0.40 0.00 -0.60 0.00 0.00 54.58 53.09 3iss n ASN 43 Cb 0.56 -4.49 -0.05 0.00 -0.53 0.00 0.00 39.78 35.27 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 -3.23 5.06 0.56 3.44 1.01 -1.13 -3.46 120.40 122.64 3iss s VAL 44 Ca 0.45 1.34 -0.19 0.00 0.00 0.00 0.00 61.98 63.58 3iss s VAL 44 Cb -0.20 -4.00 -0.05 0.00 0.00 0.00 0.00 36.38 32.14 3iss s VAL 44 CO 0.55 0.23 1.14 -2.16 0.00 0.00 0.00 175.10 174.87 3iss s PRO 45 N 0.99 3.26 -1.05 2.72 0.04 -1.26 -4.69 135.00 135.01 3iss s PRO 45 Ca 0.35 1.64 -0.16 0.00 0.04 0.00 0.00 61.00 62.86 3iss s PRO 45 Cb -0.17 -1.99 0.16 0.00 0.04 0.00 0.00 34.50 32.54 3iss s PRO 45 CO 0.15 -0.93 1.24 0.15 0.04 0.00 0.00 177.00 177.65 3iss s LYS 46 N -3.34 3.82 0.10 4.56 1.02 -1.26 -4.85 119.74 119.80 3iss s LYS 46 Ca 0.73 -2.18 0.07 0.00 0.02 0.00 0.00 55.97 54.62 3iss s LYS 46 Cb -0.25 -4.95 -0.03 0.00 -0.52 0.00 0.00 37.83 32.08 3iss s LYS 46 CO 0.29 -1.74 -0.18 -0.51 -0.92 0.00 0.00 175.35 172.29 3iss s LEU 47 N 2.01 2.32 0.34 3.17 1.43 -1.26 -4.55 118.68 122.13 3iss s LEU 47 Ca 0.36 -0.70 0.01 0.00 -1.03 0.00 0.00 54.13 52.78 3iss s LEU 47 Cb -0.04 -0.75 0.60 0.00 0.03 0.00 0.00 46.19 46.02 3iss s LEU 47 CO -0.05 -0.00 2.00 0.50 0.23 0.00 0.00 176.35 179.02 3iss h LYS 48 N 4.00 0.89 -0.37 1.70 1.63 -1.63 -1.80 116.57 120.98 3iss h LYS 48 Ca -0.44 -0.05 0.04 0.00 -0.85 0.00 0.00 60.65 59.35 3iss h LYS 48 Cb 1.19 -0.20 -0.02 0.00 -0.60 0.00 0.00 32.23 32.60 3iss h LYS 48 CO 0.42 0.59 0.25 -0.44 -3.45 0.00 0.00 179.45 176.82 3iss h ASP 49 N 0.91 0.30 -0.16 4.20 5.19 -1.82 0.65 116.42 125.69 3iss h ASP 49 Ca 0.25 -0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 56.58 3iss h ASP 49 Cb -0.09 -0.07 -0.00 0.00 0.18 0.00 0.00 39.33 39.35 3iss h ASP 49 CO -0.06 0.20 -0.20 0.58 -3.12 0.00 0.00 179.24 176.65 3iss h VAL 50 N 0.35 1.35 -0.14 -1.35 2.07 -1.66 -2.40 116.25 114.47 3iss h VAL 50 Ca 0.16 -1.39 0.05 0.00 0.82 0.00 0.00 66.70 66.34 3iss h VAL 50 Cb 0.19 1.87 -0.06 0.00 -1.52 0.00 0.00 31.29 31.77 3iss h VAL 50 CO -0.04 0.41 -0.25 0.44 0.02 0.00 0.00 177.57 178.16 3iss h ASP 51 N 0.06 -0.79 -0.91 0.57 3.32 -0.82 0.14 116.42 117.98 3iss h ASP 51 Ca 0.02 0.13 0.11 0.00 0.02 0.00 0.00 57.03 57.31 3iss h ASP 51 Cb 0.75 0.35 -0.08 0.00 0.22 0.00 0.00 39.33 40.57 3iss h ASP 51 CO 0.05 -0.30 0.55 0.74 -1.72 0.00 0.00 179.24 178.55 3iss h THR 52 N -0.32 0.90 -0.28 0.35 2.02 -0.95 0.12 112.91 114.75 3iss h THR 52 Ca 0.10 -0.30 -0.01 0.00 0.77 0.00 0.00 66.41 66.97 3iss h THR 52 Cb 0.47 -0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 66.81 3iss h THR 52 CO -0.32 0.16 0.13 0.28 0.37 0.00 0.00 175.52 176.14 3iss h SER 53 N 0.88 0.37 -0.34 4.18 0.02 -0.84 -1.44 113.55 116.38 3iss h SER 53 Ca 0.45 -0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 61.26 3iss h SER 53 Cb 0.45 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.88 3iss h SER 53 CO -0.27 0.40 0.18 0.24 -1.14 0.00 0.00 176.83 176.24 3iss h MET 54 N 0.32 0.48 -0.75 3.45 2.07 0.01 0.04 114.93 120.55 3iss h MET 54 Ca 0.10 -0.06 0.14 0.00 -2.07 0.00 0.00 59.70 57.81 3iss h MET 54 Cb 0.13 -0.09 -0.10 0.00 -1.87 0.00 0.00 31.60 29.67 3iss h MET 54 CO -0.01 0.41 0.29 -0.22 1.07 0.00 0.00 176.91 178.45 3iss h LYS 55 N 0.42 0.41 -0.12 1.72 1.63 -0.65 0.28 116.57 120.26 3iss h LYS 55 Ca 0.12 -0.02 -0.03 0.00 -0.85 0.00 0.00 60.65 59.87 3iss h LYS 55 Cb 0.08 -0.09 -0.00 0.00 -0.60 0.00 0.00 32.23 31.61 3iss h LYS 55 CO -0.02 0.27 -0.02 1.25 -3.45 0.00 0.00 179.45 177.48 3iss h LEU 56 N 0.43 0.23 -0.08 5.20 5.85 -0.60 -1.95 115.31 124.39 3iss h LEU 56 Ca 0.42 -0.35 0.03 0.00 0.84 0.00 0.00 57.88 58.82 3iss h LEU 56 Cb 0.64 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.57 3iss h LEU 56 CO -0.41 0.53 -0.14 -0.07 -0.34 0.00 0.00 178.44 178.01 3iss h LEU 57 N -0.07 -0.44 -0.52 2.25 4.07 -0.29 -0.89 115.31 119.42 3iss h LEU 57 Ca 0.03 0.08 0.08 0.00 0.08 0.00 0.00 57.88 58.15 3iss h LEU 57 Cb 0.43 0.20 -0.06 0.00 1.08 0.00 0.00 40.66 42.30 3iss h LEU 57 CO 0.01 -0.19 0.16 -1.28 -1.08 0.00 0.00 178.44 176.06 3iss h SER 58 N -0.20 0.13 -0.11 -0.43 0.87 -1.00 0.14 113.55 112.95 3iss h SER 58 Ca 0.08 0.07 0.03 0.00 -1.23 0.00 0.00 61.79 60.74 3iss h SER 58 Cb 0.31 0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 62.33 3iss h SER 58 CO -0.20 0.10 0.09 -0.61 -0.53 0.00 0.00 176.83 175.68 3iss h GLN 59 N 0.32 0.00 0.00 2.24 4.15 -0.49 0.10 115.11 121.44 3iss h GLN 59 Ca 0.26 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.68 3iss h GLN 59 Cb 0.30 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.99 3iss h GLN 59 CO -0.28 0.00 0.00 1.28 -1.93 0.00 0.00 178.83 177.90 3iss n LEU 60 N -4.32 0.74 0.00 -2.39 4.77 -0.01 -4.81 117.00 110.98 3iss n LEU 60 Ca -0.00 0.58 0.00 0.00 -0.03 0.00 0.00 56.01 56.56 3iss n LEU 60 Cb 0.21 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 3iss n LEU 60 CO 0.33 -0.20 0.00 0.61 -1.33 0.00 0.00 177.39 176.80 3iss n GLY 61 N 1.20 1.15 3.85 -0.72 0.00 0.35 -2.05 105.19 108.96 3iss n GLY 61 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 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 3.14 -0.34 4.61 0.00 -0.90 -3.86 121.76 122.42 3iss s ALA 62 Ca 0.00 0.12 -0.16 0.00 0.00 0.00 0.00 51.96 51.92 3iss s ALA 62 Cb 0.00 -3.01 -0.01 0.00 0.00 0.00 0.00 23.12 20.10 3iss s ALA 62 CO 0.00 -0.10 0.41 0.15 0.00 0.00 0.00 175.76 176.22 3iss s LYS 63 N -3.83 3.63 -0.01 0.00 3.01 0.52 -4.15 119.74 118.91 3iss s LYS 63 Ca 0.57 -0.28 0.05 0.00 -1.01 0.00 0.00 55.97 55.30 3iss s LYS 63 Cb -0.10 -3.79 -0.01 0.00 -1.01 0.00 0.00 37.83 32.92 3iss s LYS 63 CO 0.28 -0.53 -0.15 0.08 0.51 0.00 0.00 175.35 175.53 3iss s VAL 64 N 2.14 1.23 0.16 3.17 1.01 -1.26 -0.28 120.40 126.56 3iss s VAL 64 Ca 0.14 -0.66 -0.24 0.00 0.00 0.00 0.00 61.98 61.23 3iss s VAL 64 Cb -0.16 -1.02 0.06 0.00 0.00 0.00 0.00 36.38 35.26 3iss s VAL 64 CO 0.12 0.35 0.69 -1.83 0.00 0.00 0.00 175.10 174.43 3iss s GLU 65 N -0.32 1.31 0.14 2.72 -1.05 -0.73 -5.00 118.70 115.77 3iss s GLU 65 Ca 0.05 -0.56 -0.05 0.00 -0.15 0.00 0.00 54.97 54.25 3iss s GLU 65 Cb -0.06 0.55 -0.02 0.00 -0.44 0.00 0.00 34.13 34.15 3iss s GLU 65 CO -0.00 -0.58 0.17 0.50 0.95 0.00 0.00 175.26 176.29 3iss s ARG 66 N -3.67 1.02 0.00 -4.83 3.52 -1.26 0.41 118.95 114.14 3iss s ARG 66 Ca 0.04 -1.28 0.00 0.00 -0.13 0.00 0.00 55.73 54.36 3iss s ARG 66 Cb -0.02 0.31 0.00 0.00 -1.56 0.00 0.00 34.95 33.68 3iss s ARG 66 CO -0.07 -0.33 0.00 -0.25 -0.81 0.00 0.00 175.30 173.84 3iss n ASP 67 N -0.14 0.00 0.00 -2.12 8.00 -1.26 -4.97 116.55 116.06 3iss n ASP 67 Ca -0.07 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.43 3iss n ASP 67 Cb 0.63 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.73 3iss n ASP 67 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3iss n GLY 68 N 0.00 0.00 3.33 0.44 0.00 -1.26 -5.07 105.19 102.63 3iss n GLY 68 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.14 1.89 -0.04 1.61 0.01 -1.26 -1.27 113.70 114.49 3iss s SER 69 Ca 0.00 -1.19 0.07 0.00 1.31 0.00 0.00 55.95 56.14 3iss s SER 69 Cb 0.00 -0.00 -0.02 0.00 0.21 0.00 0.00 66.02 66.21 3iss s SER 69 CO 0.00 -0.48 -0.24 -0.69 0.41 0.00 0.00 173.24 172.24 3iss s VAL 70 N -3.38 2.14 -0.17 3.43 1.01 0.29 -4.36 120.40 119.36 3iss s VAL 70 Ca 0.27 -1.05 -0.04 0.00 0.00 0.00 0.00 61.98 61.16 3iss s VAL 70 Cb 0.05 -1.76 -0.02 0.00 0.00 0.00 0.00 36.38 34.64 3iss s VAL 70 CO 0.08 0.58 -0.04 -1.00 0.00 0.00 0.00 175.10 174.71 3iss s HIS 71 N -0.39 3.00 -0.08 5.22 3.76 0.16 -0.84 115.29 126.13 3iss s HIS 71 Ca 0.03 -0.42 0.02 0.00 -0.15 0.00 0.00 55.06 54.54 3iss s HIS 71 Cb -0.12 -1.99 0.01 0.00 1.11 0.00 0.00 32.58 31.60 3iss s HIS 71 CO 0.01 -0.14 -0.13 0.42 -0.85 0.00 0.00 174.74 174.05 3iss s ILE 72 N 0.59 1.25 -0.30 0.60 1.01 -0.39 -1.77 121.20 122.19 3iss s ILE 72 Ca -0.03 -0.53 0.03 0.00 0.00 0.00 0.00 60.65 60.12 3iss s ILE 72 Cb -0.14 -1.14 0.08 0.00 0.01 0.00 0.00 42.46 41.26 3iss s ILE 72 CO 0.03 0.38 -0.02 -0.62 0.00 0.00 0.00 174.94 174.71 3iss s ASP 73 N 0.76 4.56 -0.20 3.58 -1.08 0.61 -1.05 116.67 123.85 3iss s ASP 73 Ca -0.12 -1.77 0.15 0.00 -0.52 0.00 0.00 52.55 50.29 3iss s ASP 73 Cb -0.16 -1.55 0.67 0.00 -1.46 0.00 0.00 42.92 40.42 3iss s ASP 73 CO 0.03 -0.29 1.58 0.00 0.52 0.00 0.00 175.17 177.00 3iss n ALA 74 N 4.37 3.39 -0.13 3.66 0.00 -1.26 -0.36 120.51 130.18 3iss n ALA 74 Ca -0.05 -2.10 -0.11 0.00 0.00 0.00 0.00 53.44 51.18 3iss n ALA 74 Cb 0.42 -0.90 -0.02 0.00 0.00 0.00 0.00 19.45 18.95 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 2.87 0.76 -0.82 0.00 3.08 -1.85 -3.24 114.38 115.18 3iss h ARG 75 Ca 0.00 -0.31 -0.13 0.00 0.07 0.00 0.00 59.98 59.61 3iss h ARG 75 Cb 1.68 -0.03 -0.08 0.00 0.08 0.00 0.00 29.97 31.62 3iss h ARG 75 CO 0.34 0.92 0.16 -0.25 -1.07 0.00 0.00 179.97 180.08 3iss n ASP 76 N -4.32 3.98 -4.71 7.04 8.00 -1.26 -4.93 116.55 120.34 3iss n ASP 76 Ca -0.02 -2.80 -0.42 0.00 0.71 0.00 0.00 54.79 52.26 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 -2.22 2.36 0.00 2.53 1.01 -1.23 -4.73 120.40 118.12 3iss s VAL 77 Ca 0.38 0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.53 3iss s VAL 77 Cb 0.30 -3.11 0.00 0.00 0.00 0.00 0.00 36.38 33.57 3iss s VAL 77 CO 0.10 0.01 0.00 -0.46 0.00 0.00 0.00 175.10 174.75 3iss n ASN 78 N 4.40 0.00 -4.34 3.32 6.94 -0.89 -5.00 115.26 119.69 3iss n ASN 78 Ca 0.16 -0.75 -0.29 0.00 -0.02 0.00 0.00 54.58 53.68 3iss n ASN 78 Cb 0.37 0.00 -0.14 0.00 -2.36 0.00 0.00 39.78 37.65 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 2.09 -0.13 3.53 0.11 -0.87 -5.06 120.40 120.07 3iss s VAL 79 Ca 0.00 -1.44 0.17 0.00 -2.93 0.00 0.00 61.98 57.77 3iss s VAL 79 Cb 0.00 -1.80 0.41 0.00 -1.53 0.00 0.00 36.38 33.46 3iss s VAL 79 CO 0.00 0.28 1.20 0.49 -3.33 0.00 0.00 175.10 173.73 3iss n PHE 80 N 1.59 0.00 -4.52 1.54 3.72 -1.26 -4.68 117.46 113.86 3iss n PHE 80 Ca -0.17 -1.09 -0.24 0.00 -0.05 0.00 0.00 57.45 55.90 3iss n PHE 80 Cb 0.52 -0.21 -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 0.69 3.50 0.51 0.00 0.00 0.33 -4.89 121.76 121.90 3iss s ALA 82 Ca -0.14 -1.88 -0.18 0.00 0.00 0.00 0.00 51.96 49.76 3iss s ALA 82 Cb -0.15 -3.03 -0.07 0.00 0.00 0.00 0.00 23.12 19.86 3iss s ALA 82 CO 0.03 -1.64 1.02 -1.25 0.00 0.00 0.00 175.76 173.92 3iss s PRO 83 N 1.79 3.77 0.28 0.00 0.04 -1.26 -2.37 135.00 137.25 3iss s PRO 83 Ca 0.06 1.20 -0.06 0.00 0.04 0.00 0.00 61.00 62.25 3iss s PRO 83 Cb -0.21 -2.10 0.53 0.00 0.04 0.00 0.00 34.50 32.75 3iss s PRO 83 CO 0.09 -0.44 1.55 0.98 0.04 0.00 0.00 177.00 179.22 3iss n TYR 84 N -1.31 0.42 0.13 0.56 9.36 -1.26 -1.06 117.16 123.99 3iss n TYR 84 Ca 0.08 1.20 0.17 0.00 3.32 0.00 0.00 57.90 62.68 3iss n TYR 84 Cb 0.53 -1.11 0.74 0.00 -0.63 0.00 0.00 39.34 38.86 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 -1.18 116.42 119.54 3iss h ASP 85 Ca 0.50 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.43 3iss h ASP 85 Cb 0.84 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.38 3iss h ASP 85 CO -1.00 0.00 -0.85 -0.07 -1.72 0.00 0.00 179.24 175.60 3iss h LEU 86 N 0.00 0.00 -0.97 1.55 4.07 -1.47 -3.37 115.31 115.12 3iss h LEU 86 Ca 0.14 -0.31 0.22 0.00 0.08 0.00 0.00 57.88 58.01 3iss h LEU 86 Cb 0.65 0.00 -0.12 0.00 1.08 0.00 0.00 40.66 42.27 3iss h LEU 86 CO -0.00 1.13 0.55 0.58 -1.08 0.00 0.00 178.44 179.62 3iss h VAL 87 N -1.00 0.59 0.00 1.22 2.07 -1.25 0.27 116.25 118.15 3iss h VAL 87 Ca -0.18 -0.21 -0.02 0.00 0.82 0.00 0.00 66.70 67.11 3iss h VAL 87 Cb 0.92 -0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 30.62 3iss h VAL 87 CO -0.11 0.11 -0.09 0.07 0.02 0.00 0.00 177.57 177.57 3iss h LYS 88 N 0.60 0.00 0.00 1.57 2.10 -1.40 -0.78 116.57 118.67 3iss h LYS 88 Ca 0.60 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.25 3iss h LYS 88 Cb 1.06 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.39 3iss h LYS 88 CO -0.45 0.09 -0.50 0.25 -2.00 0.00 0.00 179.45 176.84 3iss n THR 89 N -3.90 0.12 -3.14 0.07 -2.24 0.93 -4.77 114.28 101.36 3iss n THR 89 Ca -0.02 -0.09 0.04 0.00 -2.27 0.00 0.00 64.05 61.71 3iss n THR 89 Cb 0.18 0.05 -0.00 0.00 -2.10 0.00 0.00 70.33 68.47 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 -3.06 0.44 0.39 -0.78 1.75 -0.31 -5.04 119.30 112.70 3iss s MET 90 Ca 0.10 0.32 0.28 0.00 -1.25 0.00 0.00 55.69 55.13 3iss s MET 90 Cb 0.16 0.17 1.38 0.00 2.84 0.00 0.00 34.83 39.38 3iss s MET 90 CO 0.69 -0.79 1.84 0.07 -0.65 0.00 0.00 175.02 176.18 3iss h ARG 91 N 7.55 0.00 0.00 4.11 0.11 -1.83 -1.47 114.38 122.85 3iss h ARG 91 Ca -0.03 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.05 3iss h ARG 91 Cb 1.19 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.27 3iss h ARG 91 CO 0.06 0.00 0.00 0.00 0.10 0.00 0.00 179.97 180.13 3iss h ALA 92 N 2.06 1.00 -0.69 0.08 0.00 -1.96 -2.19 119.26 117.56 3iss h ALA 92 Ca 0.00 0.00 0.20 0.00 0.00 0.00 0.00 54.91 55.11 3iss h ALA 92 Cb 0.14 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3iss h ALA 92 CO 0.00 0.00 0.68 0.77 0.00 0.00 0.00 179.25 180.70 3iss h SER 93 N 0.00 0.00 -0.23 0.00 0.02 -1.60 0.55 113.55 112.29 3iss h SER 93 Ca 0.00 0.00 0.07 0.00 -0.84 0.00 0.00 61.79 61.02 3iss h SER 93 Cb 0.10 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.63 3iss h SER 93 CO 0.00 0.00 0.35 -0.29 -1.14 0.00 0.00 176.83 175.75 3iss h ILE 94 N 0.00 0.28 0.00 3.27 6.09 -1.65 -0.59 117.51 124.91 3iss h ILE 94 Ca 0.33 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.82 3iss h ILE 94 Cb 1.69 0.71 0.00 0.00 0.47 0.00 0.00 36.82 39.68 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 -3.49 0.00 0.14 2.19 8.01 0.18 -1.67 117.44 122.80 3iss n TRP 95 Ca 0.03 0.00 -0.01 0.00 -1.31 0.00 0.00 57.50 56.21 3iss n TRP 95 Cb 0.47 -0.50 0.17 0.00 -2.01 0.00 0.00 31.31 29.45 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 2.20 0.96 -0.03 6.99 0.00 -1.33 -3.34 119.26 124.70 3iss h ALA 96 Ca 0.00 -0.56 0.04 0.00 0.00 0.00 0.00 54.91 54.39 3iss h ALA 96 Cb 0.10 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 3iss h ALA 96 CO 0.00 0.76 -0.27 1.25 0.00 0.00 0.00 179.25 180.99 3iss h LEU 97 N 0.00 -0.82 0.19 0.00 5.85 -1.54 -2.70 115.31 116.30 3iss h LEU 97 Ca -0.01 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.83 3iss h LEU 97 Cb 1.10 0.34 -0.04 0.00 0.37 0.00 0.00 40.66 42.44 3iss h LEU 97 CO 0.08 -0.34 -0.45 1.23 -0.34 0.00 0.00 178.44 178.62 3iss h GLY 98 N -0.40 -1.18 0.67 3.75 0.00 -1.78 -2.04 103.07 102.08 3iss h GLY 98 Ca 0.07 0.61 0.06 0.00 0.00 0.00 0.00 47.33 48.07 3iss h GLY 98 CO -0.26 -0.31 0.33 -2.55 0.00 0.00 0.00 176.54 173.75 3iss h PRO 99 N -0.71 0.60 -0.37 4.80 0.11 -1.74 -1.33 132.00 133.35 3iss h PRO 99 Ca -0.02 -0.04 0.06 0.00 0.11 0.00 0.00 66.00 66.12 3iss h PRO 99 Cb 0.69 -0.14 -0.06 0.00 0.11 0.00 0.00 31.00 31.60 3iss h PRO 99 CO -0.20 0.40 0.02 -0.07 -0.21 0.00 0.00 178.00 177.94 3iss h LEU 100 N 0.62 -0.10 -0.60 2.35 3.38 -1.25 -0.38 115.31 119.33 3iss h LEU 100 Ca 0.28 0.08 -0.15 0.00 0.09 0.00 0.00 57.88 58.18 3iss h LEU 100 Cb 0.19 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 3iss h LEU 100 CO -0.18 -0.02 -0.47 0.58 0.09 0.00 0.00 178.44 178.44 3iss h VAL 101 N 0.13 1.31 -0.45 1.22 2.07 -0.94 -0.01 116.25 119.58 3iss h VAL 101 Ca 0.18 -1.68 -0.03 0.00 0.82 0.00 0.00 66.70 65.99 3iss h VAL 101 Cb 0.24 1.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.66 3iss h VAL 101 CO -0.28 0.53 0.17 0.00 0.02 0.00 0.00 177.57 178.00 3iss h ALA 102 N 1.04 0.58 0.10 1.67 0.00 -0.65 -2.07 119.26 119.94 3iss h ALA 102 Ca 0.02 -0.16 -0.35 0.00 0.00 0.00 0.00 54.91 54.43 3iss h ALA 102 Cb 0.99 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 3iss h ALA 102 CO 0.09 0.20 -1.96 -2.13 0.00 0.00 0.00 179.25 175.45 3iss n ARG 103 N -4.59 0.73 0.00 0.00 0.63 -0.21 -4.52 116.66 108.70 3iss n ARG 103 Ca 0.01 0.29 0.06 0.00 -0.92 0.00 0.00 57.85 57.29 3iss n ARG 103 Cb 0.16 -1.69 0.02 0.00 0.45 0.00 0.00 32.46 31.40 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 -3.59 0.00 -0.94 -0.14 3.72 -0.03 -4.99 117.46 111.49 3iss n PHE 104 Ca -0.34 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.06 3iss n PHE 104 Cb 1.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.54 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 0.87 0.84 3.28 1.37 0.00 -0.78 -4.98 105.19 105.80 3iss n GLY 105 Ca 0.06 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.99 3iss n GLY 105 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3iss s GLN 106 N -0.14 1.03 -0.30 1.61 -2.07 -1.25 -1.05 119.66 117.48 3iss s GLN 106 Ca 0.00 -1.07 -0.19 0.00 -1.82 0.00 0.00 55.36 52.27 3iss s GLN 106 Cb 0.00 0.37 0.21 0.00 -1.09 0.00 0.00 33.01 32.49 3iss s GLN 106 CO 0.00 -0.36 1.34 0.20 -1.32 0.00 0.00 175.29 175.15 3iss s GLY 107 N -2.92 0.55 -0.19 2.60 0.00 -0.78 -3.16 107.32 103.42 3iss s GLY 107 Ca 0.12 3.75 -0.00 0.00 0.00 0.00 0.00 44.72 48.59 3iss s GLY 107 CO -0.05 2.46 -0.05 1.20 0.00 0.00 0.00 173.10 176.66 3iss s GLN 108 N 0.64 1.48 -0.04 2.90 1.11 0.13 -0.36 119.66 125.53 3iss s GLN 108 Ca -0.02 -0.67 0.05 0.00 0.01 0.00 0.00 55.36 54.73 3iss s GLN 108 Cb -0.03 -2.22 -0.01 0.00 -1.01 0.00 0.00 33.01 29.73 3iss s GLN 108 CO -0.12 -0.50 -0.20 0.08 0.01 0.00 0.00 175.29 174.57 3iss s VAL 109 N 1.56 1.60 0.23 1.09 1.01 -0.63 -0.51 120.40 124.76 3iss s VAL 109 Ca -0.01 -0.83 -0.31 0.00 0.00 0.00 0.00 61.98 60.83 3iss s VAL 109 Cb -0.17 -1.36 -0.11 0.00 0.00 0.00 0.00 36.38 34.75 3iss s VAL 109 CO -0.07 0.46 1.54 -0.55 0.00 0.00 0.00 175.10 176.48 3iss s SER 110 N -0.18 6.54 -0.14 3.32 0.15 -1.00 -0.23 113.70 122.16 3iss s SER 110 Ca 0.00 2.74 -0.29 0.00 0.70 0.00 0.00 55.95 59.10 3iss s SER 110 Cb -0.11 -2.61 -0.04 0.00 -1.71 0.00 0.00 66.02 61.55 3iss s SER 110 CO 0.01 -0.82 1.55 -0.22 1.20 0.00 0.00 173.24 174.97 3iss s LEU 111 N 0.20 4.14 0.43 3.45 1.98 -0.08 -4.81 118.68 123.98 3iss s LEU 111 Ca 0.65 1.90 -0.26 0.00 -2.89 0.00 0.00 54.13 53.53 3iss s LEU 111 Cb -0.45 -3.53 -0.09 0.00 0.66 0.00 0.00 46.19 42.78 3iss s LEU 111 CO 0.40 -1.01 1.41 -2.65 -1.89 0.00 0.00 176.35 172.61 3iss n PRO 112 N 7.20 2.29 0.00 0.98 -0.02 -1.26 -5.01 135.00 139.18 3iss n PRO 112 Ca 0.17 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.46 3iss n PRO 112 Cb 0.44 -2.58 0.00 0.00 -0.02 0.00 0.00 33.50 31.34 3iss n PRO 112 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3iss n GLY 113 N 0.60 0.65 3.89 -1.23 0.00 -1.26 -5.02 105.19 102.82 3iss n GLY 113 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 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 2.01 0.10 -0.02 0.00 -1.26 -4.88 107.32 103.27 3iss s GLY 114 Ca 0.00 -0.44 0.02 0.00 0.00 0.00 0.00 44.72 44.31 3iss s GLY 114 CO 0.00 -0.31 -0.07 0.00 0.00 0.00 0.00 173.10 172.72 3iss n THR 116 N 0.09 0.00 1.09 0.00 -2.24 -1.26 -3.64 114.28 108.32 3iss n THR 116 Ca -0.13 -0.02 0.12 0.00 -2.27 0.00 0.00 64.05 61.75 3iss n THR 116 Cb 0.60 -0.15 0.20 0.00 -2.10 0.00 0.00 70.33 68.88 3iss n THR 116 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 3iss n ILE 117 N -1.28 0.00 -0.82 2.28 -5.35 -1.26 -4.90 119.36 108.03 3iss n ILE 117 Ca 0.10 -0.08 0.00 0.00 -0.27 0.00 0.00 62.75 62.50 3iss n ILE 117 Cb 0.31 0.56 0.00 0.00 -1.74 0.00 0.00 39.64 38.77 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 0.28 3.73 3.28 0.00 -1.24 -3.61 105.19 109.07 3iss n GLY 118 Ca 0.08 -1.74 -0.42 0.00 0.00 0.00 0.00 46.02 43.94 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 -1.06 3.63 -0.37 4.61 0.00 -1.26 -4.46 121.76 122.85 3iss s ALA 119 Ca 0.00 1.24 0.12 0.00 0.00 0.00 0.00 51.96 53.32 3iss s ALA 119 Cb 0.00 -3.55 0.35 0.00 0.00 0.00 0.00 23.12 19.92 3iss s ALA 119 CO 0.00 -0.67 0.73 0.54 0.00 0.00 0.00 175.76 176.36 3iss n ARG 120 N 3.24 0.97 -1.04 0.00 1.74 -1.26 -5.05 116.66 115.25 3iss n ARG 120 Ca 0.10 -3.38 -0.31 0.00 -0.77 0.00 0.00 57.85 53.49 3iss n ARG 120 Cb 0.41 -1.71 0.12 0.00 -1.02 0.00 0.00 32.46 30.26 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 -2.42 1.76 -0.15 5.56 0.04 -1.26 -4.98 135.00 133.54 3iss s PRO 121 Ca 0.40 1.34 0.15 0.00 0.04 0.00 0.00 61.00 62.93 3iss s PRO 121 Cb 0.35 -1.83 0.42 0.00 0.04 0.00 0.00 34.50 33.48 3iss s PRO 121 CO -0.08 -2.05 1.21 1.33 0.04 0.00 0.00 177.00 177.45 3iss n VAL 122 N -3.77 1.62 -0.35 -0.36 0.24 -1.26 -4.80 118.33 109.65 3iss n VAL 122 Ca 0.10 -2.64 0.11 0.00 -2.04 0.00 0.00 64.34 59.87 3iss n VAL 122 Cb 0.53 0.09 0.30 0.00 -1.47 0.00 0.00 33.84 33.28 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 0.99 0.82 -0.23 -1.34 2.03 -2.00 -2.20 116.42 114.50 3iss h ASP 123 Ca -0.06 0.08 -0.07 0.00 -0.73 0.00 0.00 57.03 56.24 3iss h ASP 123 Cb 1.24 -0.08 -0.02 0.00 -0.83 0.00 0.00 39.33 39.64 3iss h ASP 123 CO 0.03 0.35 -0.08 -0.07 -1.03 0.00 0.00 179.24 178.44 3iss h LEU 124 N 0.84 0.57 0.30 0.15 3.38 -1.99 0.32 115.31 118.88 3iss h LEU 124 Ca 0.54 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.36 3iss h LEU 124 Cb 0.76 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.36 3iss h LEU 124 CO -0.33 0.70 -0.14 0.45 0.09 0.00 0.00 178.44 179.21 3iss h HIS 125 N 0.55 -0.37 0.16 1.13 3.86 -1.75 -1.11 115.15 117.62 3iss h HIS 125 Ca 0.10 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.31 3iss h HIS 125 Cb 0.48 0.12 -0.01 0.00 1.06 0.00 0.00 27.41 29.05 3iss h HIS 125 CO 0.02 -0.11 -0.16 0.82 0.86 0.00 0.00 177.93 179.36 3iss h ILE 126 N -0.59 0.65 -0.68 2.45 2.04 -1.29 -2.37 117.51 117.72 3iss h ILE 126 Ca -0.04 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.87 3iss h ILE 126 Cb 0.43 0.65 -0.05 0.00 -0.74 0.00 0.00 36.82 37.10 3iss h ILE 126 CO 0.07 0.00 0.39 -1.28 0.00 0.00 0.00 178.15 177.33 3iss h SER 127 N -0.35 0.60 -0.72 1.72 0.87 -0.97 -1.09 113.55 113.61 3iss h SER 127 Ca 0.00 0.02 0.08 0.00 -1.23 0.00 0.00 61.79 60.67 3iss h SER 127 Cb 0.33 -0.10 -0.07 0.00 -0.44 0.00 0.00 62.40 62.13 3iss h SER 127 CO -0.04 0.39 0.38 1.23 -0.53 0.00 0.00 176.83 178.26 3iss h GLY 128 N 0.73 1.07 1.08 5.77 0.00 -0.94 -1.15 103.07 109.63 3iss h GLY 128 Ca 0.30 -0.25 -0.15 0.00 0.00 0.00 0.00 47.33 47.23 3iss h GLY 128 CO -0.17 0.10 -0.40 1.41 0.00 0.00 0.00 176.54 177.49 3iss h LEU 129 N 0.66 0.92 -1.23 3.11 3.38 -0.80 -2.27 115.31 119.09 3iss h LEU 129 Ca 0.34 -0.49 0.01 0.00 0.09 0.00 0.00 57.88 57.84 3iss h LEU 129 Cb 0.31 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 3iss h LEU 129 CO -0.24 1.22 0.52 -0.33 0.09 0.00 0.00 178.44 179.71 3iss h GLU 130 N 0.64 1.01 0.00 1.13 5.08 -1.01 -0.85 114.58 120.58 3iss h GLU 130 Ca 0.04 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 3iss h GLU 130 Cb 0.99 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 30.01 3iss h GLU 130 CO 0.10 0.67 -0.12 0.37 -1.00 0.00 0.00 179.01 179.03 3iss h GLN 131 N 1.05 0.00 -0.37 2.33 4.15 -0.86 -0.93 115.11 120.47 3iss h GLN 131 Ca 0.29 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.71 3iss h GLN 131 Cb -0.09 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.60 3iss h GLN 131 CO -0.07 0.12 0.00 1.28 -1.93 0.00 0.00 178.83 178.23 3iss n LEU 132 N -3.28 2.06 0.00 -2.39 4.77 -0.41 -4.76 117.00 112.99 3iss n LEU 132 Ca 0.00 -1.02 0.00 0.00 -0.03 0.00 0.00 56.01 54.96 3iss n LEU 132 Cb 0.36 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 3iss n LEU 132 CO 0.30 0.51 0.00 0.61 -1.33 0.00 0.00 177.39 177.48 3iss n GLY 133 N 1.12 0.58 3.79 -0.72 0.00 -0.36 -1.71 105.19 107.90 3iss n GLY 133 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.25 2.83 -0.18 4.61 0.00 -0.71 -4.85 121.76 121.21 3iss s ALA 134 Ca 0.00 0.69 -0.07 0.00 0.00 0.00 0.00 51.96 52.57 3iss s ALA 134 Cb 0.00 -3.29 -0.04 0.00 0.00 0.00 0.00 23.12 19.79 3iss s ALA 134 CO 0.00 -0.45 0.06 0.99 0.00 0.00 0.00 175.76 176.36 3iss s THR 135 N -1.89 4.81 -0.06 0.00 2.01 0.11 -4.25 115.64 116.37 3iss s THR 135 Ca 0.68 -0.03 0.02 0.00 0.31 0.00 0.00 61.69 62.68 3iss s THR 135 Cb -0.19 -3.16 0.01 0.00 0.01 0.00 0.00 72.50 69.17 3iss s THR 135 CO 0.23 0.46 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.87 3iss s ILE 136 N 0.33 1.14 0.07 1.82 1.01 -1.26 -1.55 121.20 122.75 3iss s ILE 136 Ca 0.03 -0.49 0.00 0.00 0.00 0.00 0.00 60.65 60.19 3iss s ILE 136 Cb -0.12 -1.03 -0.04 0.00 0.01 0.00 0.00 42.46 41.28 3iss s ILE 136 CO 0.00 0.35 -0.05 -1.59 0.00 0.00 0.00 174.94 173.65 3iss s LYS 137 N 0.56 0.69 -0.26 2.79 -2.85 -0.58 -4.98 119.74 115.10 3iss s LYS 137 Ca -0.12 -1.21 0.01 0.00 -1.00 0.00 0.00 55.97 53.64 3iss s LYS 137 Cb -0.15 -0.01 0.05 0.00 -2.06 0.00 0.00 37.83 35.65 3iss s LYS 137 CO 0.03 -0.06 -0.08 -1.17 0.10 0.00 0.00 175.35 174.18 3iss s LEU 138 N -2.82 3.36 -0.01 2.77 2.96 -1.26 -0.27 118.68 123.40 3iss s LEU 138 Ca 0.07 -1.17 0.01 0.00 -0.22 0.00 0.00 54.13 52.83 3iss s LEU 138 Cb 0.05 -1.61 0.00 0.00 0.50 0.00 0.00 46.19 45.13 3iss s LEU 138 CO -0.07 -0.17 -0.04 -1.83 -1.32 0.00 0.00 176.35 172.92 3iss s GLU 139 N 1.21 0.43 -1.71 1.98 -1.05 -0.75 -4.82 118.70 113.99 3iss s GLU 139 Ca -0.05 -0.14 0.00 0.00 -0.15 0.00 0.00 54.97 54.63 3iss s GLU 139 Cb -0.18 -0.44 0.00 0.00 -0.44 0.00 0.00 34.13 33.06 3iss s GLU 139 CO -0.05 0.06 0.00 0.39 0.95 0.00 0.00 175.26 176.61 3iss n GLU 140 N 3.19 -1.74 -0.99 -4.83 1.02 -1.26 -1.09 120.64 114.94 3iss n GLU 140 Ca -0.16 0.97 0.00 0.00 -0.02 0.00 0.00 57.16 57.95 3iss n GLU 140 Cb 0.57 -5.62 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 -0.98 0.94 3.69 0.62 0.00 -1.26 -5.03 105.19 103.18 3iss n GLY 141 Ca -0.24 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 -3.77 3.34 -0.44 1.61 2.02 -0.25 -0.91 117.35 118.95 3iss s TYR 142 Ca 0.00 0.22 -0.28 0.00 -0.37 0.00 0.00 57.07 56.64 3iss s TYR 142 Cb 0.00 -2.13 0.03 0.00 -0.40 0.00 0.00 41.96 39.46 3iss s TYR 142 CO 0.00 0.23 1.07 0.54 -1.57 0.00 0.00 175.55 175.82 3iss s VAL 143 N 0.38 4.34 -0.31 0.71 0.11 0.67 -1.81 120.40 124.49 3iss s VAL 143 Ca 0.06 1.20 -0.09 0.00 -2.93 0.00 0.00 61.98 60.22 3iss s VAL 143 Cb -0.12 -4.52 -0.01 0.00 -1.53 0.00 0.00 36.38 30.21 3iss s VAL 143 CO -0.01 -0.86 0.14 -0.54 -3.33 0.00 0.00 175.10 170.51 3iss s LYS 144 N 4.11 3.33 0.08 1.54 1.02 0.63 -1.60 119.74 128.84 3iss s LYS 144 Ca 0.44 -0.72 0.05 0.00 0.02 0.00 0.00 55.97 55.76 3iss s LYS 144 Cb -0.09 -3.54 -0.04 0.00 -0.52 0.00 0.00 37.83 33.64 3iss s LYS 144 CO 0.27 -0.41 -0.01 0.00 -0.92 0.00 0.00 175.35 174.28 3iss s ALA 145 N 1.61 3.24 -0.01 5.17 0.00 0.52 -1.53 121.76 130.75 3iss s ALA 145 Ca 0.04 -1.11 -0.24 0.00 0.00 0.00 0.00 51.96 50.66 3iss s ALA 145 Cb -0.17 -1.17 0.05 0.00 0.00 0.00 0.00 23.12 21.83 3iss s ALA 145 CO 0.06 0.69 0.53 -1.54 0.00 0.00 0.00 175.76 175.49 3iss s SER 146 N -2.17 -0.46 -0.12 0.00 1.04 -0.60 -1.87 113.70 109.52 3iss s SER 146 Ca 0.24 0.37 -0.06 0.00 0.48 0.00 0.00 55.95 56.97 3iss s SER 146 Cb -0.12 0.46 0.05 0.00 0.10 0.00 0.00 66.02 66.51 3iss s SER 146 CO 0.16 -0.60 0.28 0.54 0.98 0.00 0.00 173.24 174.61 3iss s VAL 147 N -1.64 -0.03 -0.59 5.02 0.11 -0.22 -0.71 120.40 122.34 3iss s VAL 147 Ca -0.10 0.12 -0.27 0.00 -2.93 0.00 0.00 61.98 58.80 3iss s VAL 147 Cb -0.02 -0.43 0.00 0.00 -1.53 0.00 0.00 36.38 34.41 3iss s VAL 147 CO 0.05 0.05 1.57 -0.62 -3.33 0.00 0.00 175.10 172.82 3iss s ASP 148 N 1.19 5.83 0.40 3.54 2.15 -1.26 -4.70 116.67 123.81 3iss s ASP 148 Ca -0.08 0.27 0.00 0.00 0.43 0.00 0.00 52.55 53.16 3iss s ASP 148 Cb -0.09 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 39.99 3iss s ASP 148 CO -0.09 -1.95 0.00 0.61 -0.17 0.00 0.00 175.17 173.57 3iss n GLY 149 N 5.44 0.65 3.63 2.66 0.00 -1.26 -4.94 105.19 111.36 3iss n GLY 149 Ca 0.14 -1.09 -0.26 0.00 0.00 0.00 0.00 46.02 44.82 3iss n GLY 149 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3iss s ARG 150 N 0.00 2.02 0.78 1.61 1.70 -1.26 -4.69 118.95 119.11 3iss s ARG 150 Ca 0.00 -1.88 -0.11 0.00 -0.47 0.00 0.00 55.73 53.27 3iss s ARG 150 Cb 0.00 -1.83 0.06 0.00 -0.57 0.00 0.00 34.95 32.62 3iss s ARG 150 CO 0.00 0.05 1.09 -0.51 -1.08 0.00 0.00 175.30 174.85 3iss s LEU 151 N -3.72 2.89 -0.13 -1.89 1.43 -1.26 -4.82 118.68 111.18 3iss s LEU 151 Ca 0.35 1.71 0.03 0.00 -1.03 0.00 0.00 54.13 55.19 3iss s LEU 151 Cb 0.03 -4.38 0.01 0.00 0.03 0.00 0.00 46.19 41.88 3iss s LEU 151 CO 0.19 -2.04 -0.22 -0.54 0.23 0.00 0.00 176.35 173.96 3iss s LYS 152 N -4.94 3.05 0.32 1.70 1.02 -0.69 0.31 119.74 120.50 3iss s LYS 152 Ca 0.61 -0.85 -0.26 0.00 0.02 0.00 0.00 55.97 55.48 3iss s LYS 152 Cb -0.17 -2.40 -0.14 0.00 -0.52 0.00 0.00 37.83 34.60 3iss s LYS 152 CO 0.56 0.06 0.82 0.41 -0.92 0.00 0.00 175.35 176.28 3iss n GLY 153 N 3.86 -0.79 3.32 -3.33 0.00 0.02 -4.58 105.19 103.68 3iss n GLY 153 Ca -0.20 0.24 -0.09 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.17 -0.31 -0.49 4.61 0.00 -1.14 -4.75 121.76 118.52 3iss s ALA 154 Ca 0.61 -0.61 -0.20 0.00 0.00 0.00 0.00 51.96 51.76 3iss s ALA 154 Cb -0.70 0.73 0.05 0.00 0.00 0.00 0.00 23.12 23.19 3iss s ALA 154 CO 0.59 -0.62 0.65 -1.58 0.00 0.00 0.00 175.76 174.79 3iss s HIS 155 N -3.90 3.03 -0.23 0.00 2.46 -1.26 -1.11 115.29 114.28 3iss s HIS 155 Ca 0.11 -0.37 -0.02 0.00 0.47 0.00 0.00 55.06 55.24 3iss s HIS 155 Cb 0.03 -3.51 0.01 0.00 -0.13 0.00 0.00 32.58 28.98 3iss s HIS 155 CO -0.05 -1.01 -0.06 0.42 -2.47 0.00 0.00 174.74 171.57 3iss s ILE 156 N 2.78 3.04 -0.33 0.89 1.01 0.94 -4.96 121.20 124.57 3iss s ILE 156 Ca 0.18 -0.80 -0.12 0.00 0.00 0.00 0.00 60.65 59.91 3iss s ILE 156 Cb -0.17 -2.46 -0.02 0.00 0.01 0.00 0.00 42.46 39.82 3iss s ILE 156 CO 0.14 0.31 0.20 -0.69 0.00 0.00 0.00 174.94 174.90 3iss s VAL 157 N 1.39 5.03 -0.12 2.92 1.01 -1.26 -0.42 120.40 128.95 3iss s VAL 157 Ca 0.03 -0.27 -0.28 0.00 0.00 0.00 0.00 61.98 61.46 3iss s VAL 157 Cb -0.15 -3.56 -0.01 0.00 0.00 0.00 0.00 36.38 32.65 3iss s VAL 157 CO -0.05 0.04 0.95 -0.04 0.00 0.00 0.00 175.10 176.00 3iss s MET 158 N 1.68 4.39 0.17 2.72 1.00 -0.40 -4.95 119.30 123.91 3iss s MET 158 Ca 0.06 1.27 -0.17 0.00 0.00 0.00 0.00 55.69 56.85 3iss s MET 158 Cb -0.17 -3.55 0.10 0.00 0.00 0.00 0.00 34.83 31.21 3iss s MET 158 CO 0.09 -0.31 1.67 -0.44 0.00 0.00 0.00 175.02 176.03 3iss h ASP 159 N 7.15 -0.39 -4.71 3.03 3.32 -1.93 -3.44 116.42 119.44 3iss h ASP 159 Ca -0.31 0.12 -0.34 0.00 0.02 0.00 0.00 57.03 56.53 3iss h ASP 159 Cb 1.14 0.26 -0.14 0.00 0.22 0.00 0.00 39.33 40.80 3iss h ASP 159 CO 0.85 -0.14 -0.61 -1.59 -1.72 0.00 0.00 179.24 176.03 3iss s LYS 160 N -6.21 1.40 -0.19 3.56 -2.85 -1.26 -5.12 119.74 109.06 3iss s LYS 160 Ca -0.14 -1.76 -0.28 0.00 -1.00 0.00 0.00 55.97 52.79 3iss s LYS 160 Cb 0.14 -0.15 0.00 0.00 -2.06 0.00 0.00 37.83 35.76 3iss s LYS 160 CO 0.71 -0.33 0.99 0.08 0.10 0.00 0.00 175.35 176.90 3iss s VAL 161 N -3.81 4.74 -0.05 1.79 1.01 -1.26 -5.00 120.40 117.82 3iss s VAL 161 Ca 0.38 1.95 -0.02 0.00 0.00 0.00 0.00 61.98 64.29 3iss s VAL 161 Cb 0.07 -4.28 0.03 0.00 0.00 0.00 0.00 36.38 32.21 3iss s VAL 161 CO 0.14 -0.10 0.08 -0.55 0.00 0.00 0.00 175.10 174.66 3iss s SER 162 N 1.18 1.16 0.13 3.32 0.15 -1.26 -5.01 113.70 113.37 3iss s SER 162 Ca 0.44 0.07 -0.18 0.00 0.70 0.00 0.00 55.95 56.98 3iss s SER 162 Cb -0.16 -0.09 -0.04 0.00 -1.71 0.00 0.00 66.02 64.02 3iss s SER 162 CO 0.10 -0.26 1.75 0.58 1.20 0.00 0.00 173.24 176.62 3iss h VAL 163 N 6.43 1.10 -0.31 4.45 2.07 -1.95 -2.20 116.25 125.84 3iss h VAL 163 Ca -0.12 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.13 3iss h VAL 163 Cb 1.12 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 3iss h VAL 163 CO 0.16 0.10 0.14 1.23 0.02 0.00 0.00 177.57 179.22 3iss h GLY 164 N 0.36 0.49 1.51 2.17 0.00 -2.00 -2.22 103.07 103.38 3iss h GLY 164 Ca 0.10 -0.25 -0.19 0.00 0.00 0.00 0.00 47.33 46.99 3iss h GLY 164 CO -0.02 0.23 -0.74 0.00 0.00 0.00 0.00 176.54 176.01 3iss h ALA 165 N 1.00 0.54 -0.38 3.60 0.00 -1.93 -1.61 119.26 120.48 3iss h ALA 165 Ca 0.11 -0.61 0.04 0.00 0.00 0.00 0.00 54.91 54.45 3iss h ALA 165 Cb 0.14 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 3iss h ALA 165 CO -0.01 0.75 0.16 1.15 0.00 0.00 0.00 179.25 181.29 3iss h THR 166 N 0.32 0.93 -0.41 0.00 2.02 -1.32 -0.73 112.91 113.72 3iss h THR 166 Ca -0.04 -0.11 -0.03 0.00 0.77 0.00 0.00 66.41 67.00 3iss h THR 166 Cb 1.33 0.57 -0.02 0.00 -1.74 0.00 0.00 68.15 68.29 3iss h THR 166 CO 0.13 0.06 0.15 0.58 0.37 0.00 0.00 175.52 176.82 3iss h VAL 167 N 0.33 1.21 -0.13 3.16 2.07 -1.26 -0.59 116.25 121.03 3iss h VAL 167 Ca 0.17 -0.65 0.03 0.00 0.82 0.00 0.00 66.70 67.07 3iss h VAL 167 Cb 0.12 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 3iss h VAL 167 CO -0.15 0.23 -0.05 0.74 0.02 0.00 0.00 177.57 178.37 3iss h THR 168 N 0.52 0.83 -0.15 2.57 2.02 -0.94 -1.85 112.91 115.92 3iss h THR 168 Ca 0.14 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.28 3iss h THR 168 Cb 0.21 0.83 -0.00 0.00 -1.74 0.00 0.00 68.15 67.45 3iss h THR 168 CO -0.01 0.00 -0.04 0.40 0.37 0.00 0.00 175.52 176.24 3iss h ILE 169 N -0.03 1.29 -0.56 3.11 2.04 -1.06 -2.22 117.51 120.08 3iss h ILE 169 Ca 0.07 -1.01 0.09 0.00 1.00 0.00 0.00 64.86 65.01 3iss h ILE 169 Cb 0.13 1.65 -0.07 0.00 -0.74 0.00 0.00 36.82 37.78 3iss h ILE 169 CO -0.15 0.30 0.16 -0.03 0.00 0.00 0.00 178.15 178.43 3iss h MET 170 N -0.01 0.30 -0.32 2.37 4.05 -0.99 -0.92 114.93 119.41 3iss h MET 170 Ca 0.04 -0.02 -0.06 0.00 -0.28 0.00 0.00 59.70 59.38 3iss h MET 170 Cb 0.48 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.20 3iss h MET 170 CO 0.02 0.20 -0.05 0.00 0.23 0.00 0.00 176.91 177.31 3iss h ALA 172 N 0.82 1.33 0.00 0.00 0.00 -0.88 -2.76 119.26 117.77 3iss h ALA 172 Ca 0.09 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 3iss h ALA 172 Cb 0.52 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3iss h ALA 172 CO 0.03 0.47 -0.32 0.00 0.00 0.00 0.00 179.25 179.43 3iss h ALA 173 N 1.45 1.32 0.00 0.00 0.00 -1.09 -3.06 119.26 117.88 3iss h ALA 173 Ca 0.13 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3iss h ALA 173 Cb 0.30 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3iss h ALA 173 CO 0.00 0.40 0.12 1.79 0.00 0.00 0.00 179.25 181.56 3iss h THR 174 N 0.00 0.00 -0.02 0.00 1.35 -1.46 0.13 112.91 112.91 3iss h THR 174 Ca -0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.85 3iss h THR 174 Cb 0.62 0.67 -0.00 0.00 -1.73 0.00 0.00 68.15 67.71 3iss h THR 174 CO 0.04 0.00 -0.17 0.18 -0.25 0.00 0.00 175.52 175.33 3iss n LEU 175 N -2.65 2.58 -4.98 3.87 4.77 -1.16 -2.03 117.00 117.42 3iss n LEU 175 Ca -0.02 -3.38 -0.21 0.00 -0.03 0.00 0.00 56.01 52.38 3iss n LEU 175 Cb 0.16 -0.47 0.01 0.00 -2.33 0.00 0.00 43.42 40.79 3iss n LEU 175 CO 0.13 0.95 0.22 0.00 -1.33 0.00 0.00 177.39 177.37 3iss s ALA 176 N -3.01 4.02 -0.42 -1.18 0.00 0.46 -4.51 121.76 117.13 3iss s ALA 176 Ca 0.35 -1.31 -0.28 0.00 0.00 0.00 0.00 51.96 50.72 3iss s ALA 176 Cb 0.32 -1.93 0.02 0.00 0.00 0.00 0.00 23.12 21.53 3iss s ALA 176 CO -0.00 -0.35 1.05 -1.21 0.00 0.00 0.00 175.76 175.25 3iss s GLU 177 N -4.47 3.78 0.62 0.00 2.02 0.15 -4.04 118.70 116.76 3iss s GLU 177 Ca 0.50 0.61 0.00 0.00 0.02 0.00 0.00 54.97 56.10 3iss s GLU 177 Cb -0.10 -3.86 0.00 0.00 0.10 0.00 0.00 34.13 30.27 3iss s GLU 177 CO 0.35 -1.18 0.00 0.41 0.02 0.00 0.00 175.26 174.86 3iss n GLY 178 N 4.58 -1.13 3.56 -1.39 0.00 -1.26 -0.80 105.19 108.76 3iss n GLY 178 Ca 0.10 -1.75 -0.34 0.00 0.00 0.00 0.00 46.02 44.03 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 4.29 -0.08 2.61 2.01 -1.26 -0.72 115.64 122.49 3iss s THR 179 Ca 0.00 -0.21 -0.01 0.00 0.31 0.00 0.00 61.69 61.78 3iss s THR 179 Cb 0.00 -2.91 -0.03 0.00 0.01 0.00 0.00 72.50 69.57 3iss s THR 179 CO 0.00 0.48 -0.02 -0.89 -0.69 0.00 0.00 174.62 173.50 3iss s THR 180 N 0.38 4.11 -0.14 -0.82 2.01 0.44 -2.88 115.64 118.74 3iss s THR 180 Ca -0.01 -0.32 -0.00 0.00 0.31 0.00 0.00 61.69 61.67 3iss s THR 180 Cb -0.13 -2.71 0.03 0.00 0.01 0.00 0.00 72.50 69.69 3iss s THR 180 CO 0.02 0.60 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.82 3iss s ILE 181 N -0.85 1.29 -0.33 1.82 1.01 -0.26 -0.67 121.20 123.20 3iss s ILE 181 Ca 0.13 -0.52 -0.13 0.00 0.00 0.00 0.00 60.65 60.13 3iss s ILE 181 Cb -0.11 -1.29 -0.02 0.00 0.01 0.00 0.00 42.46 41.05 3iss s ILE 181 CO 0.02 0.35 0.25 -0.63 0.00 0.00 0.00 174.94 174.93 3iss s ILE 182 N 1.59 5.28 -0.08 2.92 1.01 0.07 -0.04 121.20 131.94 3iss s ILE 182 Ca 0.04 -0.14 -0.07 0.00 0.00 0.00 0.00 60.65 60.48 3iss s ILE 182 Cb -0.13 -3.70 -0.04 0.00 0.01 0.00 0.00 42.46 38.59 3iss s ILE 182 CO -0.09 0.01 0.18 -1.61 0.00 0.00 0.00 174.94 173.43 3iss s GLU 183 N 1.75 3.49 -0.95 2.79 0.41 0.44 -1.80 118.70 124.83 3iss s GLU 183 Ca 0.07 -0.12 -0.06 0.00 -0.41 0.00 0.00 54.97 54.45 3iss s GLU 183 Cb -0.17 -3.17 0.01 0.00 -1.78 0.00 0.00 34.13 29.02 3iss s GLU 183 CO 0.11 0.75 0.77 -1.71 -0.49 0.00 0.00 175.26 174.69 3iss n ASN 184 N 1.74 -5.00 -4.80 -0.19 4.05 -0.24 -1.27 115.26 109.55 3iss n ASN 184 Ca -0.17 -0.35 -0.32 0.00 0.45 0.00 0.00 54.58 54.18 3iss n ASN 184 Cb 0.54 -3.63 0.04 0.00 1.23 0.00 0.00 39.78 37.97 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 -3.19 2.59 0.36 5.20 0.00 -0.20 -4.60 121.76 121.92 3iss s ALA 185 Ca 0.38 0.30 -0.26 0.00 0.00 0.00 0.00 51.96 52.39 3iss s ALA 185 Cb -0.17 -3.24 -0.09 0.00 0.00 0.00 0.00 23.12 19.62 3iss s ALA 185 CO 0.47 -1.19 1.04 0.00 0.00 0.00 0.00 175.76 176.08 3iss s ALA 186 N -2.70 3.18 -1.31 0.00 0.00 -1.26 -4.52 121.76 115.15 3iss s ALA 186 Ca 0.62 0.70 0.15 0.00 0.00 0.00 0.00 51.96 53.43 3iss s ALA 186 Cb -0.16 -3.26 0.43 0.00 0.00 0.00 0.00 23.12 20.12 3iss s ALA 186 CO 0.47 -0.12 1.36 0.54 0.00 0.00 0.00 175.76 178.01 3iss n ARG 187 N 0.32 2.82 -1.54 0.00 3.00 -1.26 -4.65 116.66 115.35 3iss n ARG 187 Ca 0.03 -2.27 -0.47 0.00 -0.01 0.00 0.00 57.85 55.13 3iss n ARG 187 Cb 0.49 -1.38 -0.03 0.00 0.00 0.00 0.00 32.46 31.54 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 0.93 0.96 -0.26 5.56 4.71 -1.26 -4.60 120.64 126.66 3iss n GLU 188 Ca 0.16 0.34 0.21 0.00 -0.01 0.00 0.00 57.16 57.86 3iss n GLU 188 Cb 0.50 -1.66 0.53 0.00 -1.01 0.00 0.00 31.44 29.79 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 2.15 0.37 0.00 3.49 0.11 -1.96 -0.01 132.00 136.14 3iss h PRO 189 Ca -0.38 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.67 3iss h PRO 189 Cb 1.37 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.39 3iss h PRO 189 CO 0.62 0.24 -0.17 0.93 -0.21 0.00 0.00 178.00 179.42 3iss h GLU 190 N 0.38 0.00 0.02 1.05 3.07 -1.89 -1.43 114.58 115.77 3iss h GLU 190 Ca 0.50 0.00 -0.23 0.00 -0.50 0.00 0.00 59.36 59.14 3iss h GLU 190 Cb 1.31 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.22 3iss h GLU 190 CO -0.19 0.17 -0.96 0.82 -1.40 0.00 0.00 179.01 177.44 3iss h ILE 191 N 0.00 1.43 0.03 3.13 2.04 -1.33 -2.11 117.51 120.70 3iss h ILE 191 Ca -0.00 -2.56 -0.00 0.00 1.00 0.00 0.00 64.86 63.30 3iss h ILE 191 Cb 0.55 2.49 0.00 0.00 -0.74 0.00 0.00 36.82 39.12 3iss h ILE 191 CO 0.02 0.76 -0.02 0.58 0.00 0.00 0.00 178.15 179.49 3iss h VAL 192 N 0.19 1.06 -0.58 1.67 2.07 -1.19 -1.19 116.25 118.28 3iss h VAL 192 Ca -0.08 -0.30 0.07 0.00 0.82 0.00 0.00 66.70 67.21 3iss h VAL 192 Cb 1.61 1.27 -0.06 0.00 -1.52 0.00 0.00 31.29 32.59 3iss h VAL 192 CO 0.16 0.08 0.27 -0.78 0.02 0.00 0.00 177.57 177.32 3iss h ASP 193 N -0.18 0.35 -0.78 0.57 3.58 -1.31 0.42 116.42 119.08 3iss h ASP 193 Ca -0.00 0.05 -0.04 0.00 0.42 0.00 0.00 57.03 57.45 3iss h ASP 193 Cb 0.16 -0.01 -0.03 0.00 1.72 0.00 0.00 39.33 41.17 3iss h ASP 193 CO 0.01 0.23 0.31 0.74 -2.88 0.00 0.00 179.24 177.65 3iss h THR 194 N 0.50 1.26 -0.51 2.25 2.02 -1.23 -0.49 112.91 116.72 3iss h THR 194 Ca 0.27 -0.81 -0.06 0.00 0.77 0.00 0.00 66.41 66.58 3iss h THR 194 Cb 0.24 0.33 -0.02 0.00 -1.74 0.00 0.00 68.15 66.97 3iss h THR 194 CO -0.22 0.33 0.08 0.00 0.37 0.00 0.00 175.52 176.08 3iss h ALA 195 N 1.16 0.67 -0.24 6.16 0.00 -0.52 -1.74 119.26 124.76 3iss h ALA 195 Ca 0.26 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 3iss h ALA 195 Cb 0.21 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3iss h ALA 195 CO -0.02 0.41 -0.16 -0.91 0.00 0.00 0.00 179.25 178.57 3iss h ASN 196 N 0.72 0.40 -0.09 0.00 2.35 -0.33 -0.10 115.58 118.53 3iss h ASN 196 Ca 0.15 -0.11 -0.00 0.00 -0.55 0.00 0.00 56.30 55.79 3iss h ASN 196 Cb 0.40 -0.11 -0.00 0.00 0.05 0.00 0.00 38.32 38.66 3iss h ASN 196 CO 0.01 0.59 0.04 0.15 -1.65 0.00 0.00 177.43 176.56 3iss h PHE 197 N 0.39 0.13 -0.79 1.19 3.57 -1.04 -2.25 116.94 118.14 3iss h PHE 197 Ca 0.07 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.61 3iss h PHE 197 Cb 0.50 -0.04 -0.05 0.00 2.79 0.00 0.00 35.95 39.15 3iss h PHE 197 CO 0.01 0.24 0.49 -0.07 -2.23 0.00 0.00 178.31 176.76 3iss h LEU 198 N -0.01 0.78 -0.81 0.59 3.38 -0.80 -1.57 115.31 116.87 3iss h LEU 198 Ca 0.03 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 3iss h LEU 198 Cb 0.16 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 3iss h LEU 198 CO -0.00 0.52 0.42 0.40 0.09 0.00 0.00 178.44 179.87 3iss h ILE 199 N 0.92 1.24 -0.56 1.22 2.04 -1.01 -0.98 117.51 120.39 3iss h ILE 199 Ca 0.34 -0.64 0.11 0.00 1.00 0.00 0.00 64.86 65.67 3iss h ILE 199 Cb 0.11 0.19 -0.03 0.00 -0.74 0.00 0.00 36.82 36.34 3iss h ILE 199 CO -0.15 0.28 0.38 0.74 0.00 0.00 0.00 178.15 179.41 3iss h THR 200 N 1.13 0.84 -0.00 -0.27 2.02 -0.67 0.28 112.91 116.25 3iss h THR 200 Ca 0.28 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 67.37 3iss h THR 200 Cb 0.07 0.55 0.00 0.00 -1.74 0.00 0.00 68.15 67.02 3iss h THR 200 CO -0.04 0.05 -0.04 0.18 0.37 0.00 0.00 175.52 176.04 3iss n LEU 201 N -4.45 0.21 0.00 2.58 4.77 -0.79 -4.87 117.00 114.44 3iss n LEU 201 Ca 0.10 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 3iss n LEU 201 Cb 0.44 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 3iss n LEU 201 CO 0.35 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 3iss n GLY 202 N 1.24 1.32 3.88 -0.72 0.00 0.99 -1.35 105.19 110.56 3iss n GLY 202 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 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 3.18 -0.37 4.61 0.00 -0.44 -4.92 121.76 121.82 3iss s ALA 203 Ca 0.00 -0.26 0.01 0.00 0.00 0.00 0.00 51.96 51.71 3iss s ALA 203 Cb 0.00 -2.91 0.10 0.00 0.00 0.00 0.00 23.12 20.31 3iss s ALA 203 CO 0.00 -0.63 0.11 0.15 0.00 0.00 0.00 175.76 175.40 3iss s LYS 204 N -5.06 1.70 -0.01 0.00 1.02 -1.26 -4.32 119.74 111.82 3iss s LYS 204 Ca 0.53 -1.85 0.04 0.00 0.02 0.00 0.00 55.97 54.70 3iss s LYS 204 Cb -0.11 -3.37 -0.01 0.00 -0.52 0.00 0.00 37.83 33.83 3iss s LYS 204 CO 0.51 -0.99 -0.12 0.42 -0.92 0.00 0.00 175.35 174.24 3iss s ILE 205 N 1.00 0.97 0.00 2.17 1.01 -1.26 -0.88 121.20 124.21 3iss s ILE 205 Ca 0.10 -0.52 -0.05 0.00 0.00 0.00 0.00 60.65 60.18 3iss s ILE 205 Cb -0.21 -0.81 -0.00 0.00 0.01 0.00 0.00 42.46 41.45 3iss s ILE 205 CO -0.06 0.28 0.10 -0.94 0.00 0.00 0.00 174.94 174.31 3iss s SER 206 N -0.23 0.06 0.00 3.58 1.04 -0.16 -4.89 113.70 113.09 3iss s SER 206 Ca 0.04 -0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.24 3iss s SER 206 Cb -0.05 0.19 0.00 0.00 0.10 0.00 0.00 66.02 66.25 3iss s SER 206 CO -0.00 -0.32 0.00 0.61 0.98 0.00 0.00 173.24 174.51 3iss n GLY 207 N 1.65 0.59 3.69 7.32 0.00 -1.26 0.06 105.19 117.23 3iss n GLY 207 Ca -0.22 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.36 3iss n GLY 207 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iss n GLN 208 N -2.00 2.23 -0.11 1.61 0.00 -1.26 -1.06 117.38 116.78 3iss n GLN 208 Ca 0.00 0.80 0.00 0.00 0.00 0.00 0.00 57.00 57.80 3iss n GLN 208 Cb 0.00 -2.50 0.00 0.00 0.00 0.00 0.00 30.24 27.74 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 2.32 0.75 3.74 2.61 0.00 -1.26 -4.93 105.19 108.42 3iss n GLY 209 Ca 0.11 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.39 1.78 -1.17 2.61 -4.23 -0.23 -4.80 115.64 107.21 3iss s THR 210 Ca 0.00 -1.83 0.20 0.00 -1.18 0.00 0.00 61.69 58.89 3iss s THR 210 Cb 0.00 -2.61 0.25 0.00 1.34 0.00 0.00 72.50 71.48 3iss s THR 210 CO 0.00 0.00 1.65 -0.90 -0.54 0.00 0.00 174.62 174.83 3iss n ASP 211 N -1.27 0.00 -4.00 3.99 5.68 -1.26 -4.58 116.55 115.10 3iss n ASP 211 Ca -0.08 0.29 -0.31 0.00 -0.50 0.00 0.00 54.79 54.20 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 -2.83 2.06 -0.14 0.11 3.52 -1.26 -1.03 118.95 119.38 3iss s ARG 212 Ca 0.14 -0.92 -0.02 0.00 -0.13 0.00 0.00 55.73 54.80 3iss s ARG 212 Cb 0.14 -2.50 -0.02 0.00 -1.56 0.00 0.00 34.95 31.00 3iss s ARG 212 CO 0.35 -0.45 -0.06 0.42 -0.81 0.00 0.00 175.30 174.74 3iss s ILE 213 N 1.35 3.67 -0.17 4.11 1.01 -0.74 -4.32 121.20 126.10 3iss s ILE 213 Ca -0.02 -0.45 -0.02 0.00 0.00 0.00 0.00 60.65 60.16 3iss s ILE 213 Cb -0.17 -2.58 -0.01 0.00 0.01 0.00 0.00 42.46 39.71 3iss s ILE 213 CO -0.08 0.52 -0.10 -0.69 0.00 0.00 0.00 174.94 174.59 3iss s VAL 214 N 0.17 3.12 -0.16 2.92 1.01 0.11 -0.76 120.40 126.81 3iss s VAL 214 Ca -0.03 -0.61 0.01 0.00 0.00 0.00 0.00 61.98 61.35 3iss s VAL 214 Cb -0.14 -2.36 0.01 0.00 0.00 0.00 0.00 36.38 33.89 3iss s VAL 214 CO 0.03 0.48 -0.19 -0.63 0.00 0.00 0.00 175.10 174.80 3iss s ILE 215 N 0.92 2.25 -0.37 2.22 1.09 0.16 -0.99 121.20 126.48 3iss s ILE 215 Ca -0.02 -0.90 -0.14 0.00 -1.10 0.00 0.00 60.65 58.49 3iss s ILE 215 Cb -0.15 -1.93 -0.00 0.00 -1.06 0.00 0.00 42.46 39.32 3iss s ILE 215 CO -0.00 0.53 0.28 -0.70 -0.10 0.00 0.00 174.94 174.95 3iss s GLU 216 N 1.03 3.30 0.31 2.79 2.56 -0.06 -0.42 118.70 128.21 3iss s GLU 216 Ca -0.01 -0.75 -0.30 0.00 0.00 0.00 0.00 54.97 53.90 3iss s GLU 216 Cb -0.14 -3.87 -0.12 0.00 2.00 0.00 0.00 34.13 31.99 3iss s GLU 216 CO -0.06 -0.58 1.56 0.41 -0.56 0.00 0.00 175.26 176.03 3iss n GLY 217 N 5.11 1.26 3.62 -1.50 0.00 0.10 -3.99 105.19 109.78 3iss n GLY 217 Ca -0.11 0.43 -0.26 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.26 2.20 -0.35 1.61 -7.23 -0.86 -4.67 120.40 110.84 3iss s VAL 218 Ca 0.62 -2.01 0.23 0.00 -1.81 0.00 0.00 61.98 59.01 3iss s VAL 218 Cb -0.50 -2.88 0.07 0.00 0.56 0.00 0.00 36.38 33.63 3iss s VAL 218 CO 0.52 -0.08 1.20 1.05 -0.31 0.00 0.00 175.10 177.48 3iss h GLU 219 N 1.79 0.00 -2.20 4.82 4.11 -1.91 -3.39 114.58 117.80 3iss h GLU 219 Ca -0.43 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.00 3iss h GLU 219 Cb 1.25 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 30.32 3iss h GLU 219 CO 0.75 0.00 0.30 -0.98 0.07 0.00 0.00 179.01 179.15 3iss s ARG 220 N -3.30 0.99 0.10 1.06 1.70 -1.26 -5.05 118.95 113.19 3iss s ARG 220 Ca 0.02 -0.02 0.08 0.00 -0.47 0.00 0.00 55.73 55.34 3iss s ARG 220 Cb 0.10 0.46 -0.04 0.00 -0.57 0.00 0.00 34.95 34.90 3iss s ARG 220 CO 0.75 -0.36 -0.14 -0.51 -1.08 0.00 0.00 175.30 173.96 3iss s LEU 221 N -1.73 2.86 0.00 -1.89 1.43 -1.26 -4.95 118.68 113.15 3iss s LEU 221 Ca -0.04 -0.45 0.00 0.00 -1.03 0.00 0.00 54.13 52.60 3iss s LEU 221 Cb -0.00 -1.68 0.00 0.00 0.03 0.00 0.00 46.19 44.53 3iss s LEU 221 CO 0.00 0.19 0.00 0.61 0.23 0.00 0.00 176.35 177.38 3iss n GLY 222 N 0.85 1.63 0.00 -3.19 0.00 -0.45 -1.56 105.19 102.46 3iss n GLY 222 Ca -0.15 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.47 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 5.75 0.00 -0.02 0.00 -1.26 -3.22 105.19 111.44 3iss n GLY 223 Ca 0.00 -1.88 0.00 0.00 0.00 0.00 0.00 46.02 44.14 3iss n GLY 223 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iss n GLY 224 N 3.09 -0.04 3.12 -0.02 0.00 -1.01 -4.58 105.19 105.75 3iss n GLY 224 Ca 0.00 -1.57 -0.26 0.00 0.00 0.00 0.00 46.02 44.19 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 -2.59 1.37 -0.07 1.61 1.01 -1.26 -1.00 120.40 119.46 3iss s VAL 225 Ca 0.00 -0.68 -0.05 0.00 0.00 0.00 0.00 61.98 61.25 3iss s VAL 225 Cb 0.00 -1.18 0.03 0.00 0.00 0.00 0.00 36.38 35.22 3iss s VAL 225 CO 0.00 0.40 0.19 -0.47 0.00 0.00 0.00 175.10 175.21 3iss s TYR 226 N 0.08 -0.22 -0.22 5.22 5.04 -0.70 -5.00 117.35 121.55 3iss s TYR 226 Ca -0.04 0.55 -0.09 0.00 -2.44 0.00 0.00 57.07 55.04 3iss s TYR 226 Cb -0.11 0.03 -0.05 0.00 0.35 0.00 0.00 41.96 42.18 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 0.59 4.02 0.27 4.97 3.52 -1.26 -0.21 118.95 130.85 3iss s ARG 227 Ca -0.04 -0.30 -0.29 0.00 -0.13 0.00 0.00 55.73 54.96 3iss s ARG 227 Cb -0.06 -3.42 -0.09 0.00 -1.56 0.00 0.00 34.95 29.82 3iss s ARG 227 CO -0.03 0.12 1.13 0.08 -0.81 0.00 0.00 175.30 175.79 3iss s VAL 228 N 0.85 3.44 0.93 7.11 1.01 -0.83 -4.94 120.40 127.96 3iss s VAL 228 Ca 0.06 1.41 -0.12 0.00 0.00 0.00 0.00 61.98 63.34 3iss s VAL 228 Cb -0.13 -3.90 0.15 0.00 0.00 0.00 0.00 36.38 32.50 3iss s VAL 228 CO 0.03 0.32 1.09 -1.48 0.00 0.00 0.00 175.10 175.06 3iss s LEU 229 N -1.28 2.11 0.68 3.92 2.34 -1.26 -4.68 118.68 120.51 3iss s LEU 229 Ca 0.46 1.49 -0.15 0.00 0.06 0.00 0.00 54.13 55.99 3iss s LEU 229 Cb -0.33 -3.85 0.01 0.00 -0.56 0.00 0.00 46.19 41.47 3iss s LEU 229 CO 0.41 -2.83 1.14 -2.84 -1.06 0.00 0.00 176.35 171.17 3iss s PRO 230 N -4.89 2.61 -0.53 1.48 0.02 -1.26 -0.58 135.00 131.85 3iss s PRO 230 Ca 0.64 1.51 -0.25 0.00 0.02 0.00 0.00 61.00 62.92 3iss s PRO 230 Cb -0.19 -1.92 0.04 0.00 0.02 0.00 0.00 34.50 32.45 3iss s PRO 230 CO 0.58 -1.42 0.96 0.34 -0.33 0.00 0.00 177.00 177.13 3iss s ASP 231 N -2.39 6.39 0.40 2.53 -1.08 -0.77 -4.29 116.67 117.47 3iss s ASP 231 Ca 0.69 -0.18 0.13 0.00 -0.52 0.00 0.00 52.55 52.67 3iss s ASP 231 Cb -0.23 -2.45 0.82 0.00 -1.46 0.00 0.00 42.92 39.60 3iss s ASP 231 CO 0.42 -1.21 1.89 0.08 0.52 0.00 0.00 175.17 176.88 3iss h ARG 232 N 9.28 0.04 -0.29 4.34 0.11 -1.93 -1.50 114.38 124.43 3iss h ARG 232 Ca -0.25 -0.01 -0.09 0.00 0.10 0.00 0.00 59.98 59.72 3iss h ARG 232 Cb 1.07 -0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.14 3iss h ARG 232 CO 1.08 0.31 -0.17 0.82 0.10 0.00 0.00 179.97 182.12 3iss h ILE 233 N 0.04 1.30 -0.74 0.08 1.08 -1.95 0.13 117.51 117.44 3iss h ILE 233 Ca 0.00 -1.28 -0.03 0.00 -0.39 0.00 0.00 64.86 63.17 3iss h ILE 233 Cb 0.51 1.50 -0.03 0.00 -3.07 0.00 0.00 36.82 35.72 3iss h ILE 233 CO 0.04 0.41 0.35 -0.08 -0.69 0.00 0.00 178.15 178.17 3iss h GLU 234 N 0.37 1.08 -0.16 2.37 4.81 -1.91 -1.10 114.58 120.04 3iss h GLU 234 Ca 0.06 -0.17 0.03 0.00 -0.13 0.00 0.00 59.36 59.15 3iss h GLU 234 Cb 0.69 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 29.86 3iss h GLU 234 CO 0.05 0.85 -0.02 1.15 -0.73 0.00 0.00 179.01 180.31 3iss h THR 235 N 1.05 0.87 -0.70 0.32 2.02 -1.19 -2.20 112.91 113.08 3iss h THR 235 Ca 0.25 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.43 3iss h THR 235 Cb 0.14 0.84 -0.03 0.00 -1.74 0.00 0.00 68.15 67.35 3iss h THR 235 CO -0.03 0.01 0.45 1.23 0.37 0.00 0.00 175.52 177.55 3iss h GLY 236 N 0.03 0.99 1.04 2.16 0.00 -0.74 -1.97 103.07 104.57 3iss h GLY 236 Ca 0.07 -0.38 -0.08 0.00 0.00 0.00 0.00 47.33 46.95 3iss h GLY 236 CO -0.14 0.37 0.06 -0.84 0.00 0.00 0.00 176.54 176.00 3iss h THR 237 N 0.95 1.26 -0.02 4.70 2.02 -0.78 -0.51 112.91 120.54 3iss h THR 237 Ca 0.26 -1.04 -0.25 0.00 0.77 0.00 0.00 66.41 66.15 3iss h THR 237 Cb -0.09 0.80 0.01 0.00 -1.74 0.00 0.00 68.15 67.14 3iss h THR 237 CO -0.05 0.38 -0.98 -0.26 0.37 0.00 0.00 175.52 174.98 3iss h PHE 238 N 0.87 0.88 -0.86 3.16 0.04 -1.20 -0.48 116.94 119.35 3iss h PHE 238 Ca 0.17 -0.47 0.06 0.00 2.80 0.00 0.00 57.97 60.54 3iss h PHE 238 Cb 0.47 -0.10 -0.06 0.00 2.20 0.00 0.00 35.95 38.45 3iss h PHE 238 CO 0.03 1.30 0.54 -0.07 -0.60 0.00 0.00 178.31 179.51 3iss h LEU 239 N 0.35 0.84 -0.58 1.54 3.38 -1.27 -1.46 115.31 118.10 3iss h LEU 239 Ca -0.10 0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.78 3iss h LEU 239 Cb 1.62 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 42.19 3iss h LEU 239 CO 0.18 0.53 -0.06 0.58 0.09 0.00 0.00 178.44 179.77 3iss h VAL 240 N 0.97 1.27 -0.67 1.22 2.07 -0.96 -1.73 116.25 118.42 3iss h VAL 240 Ca 0.38 -1.22 0.14 0.00 0.82 0.00 0.00 66.70 66.81 3iss h VAL 240 Cb 0.18 0.88 -0.10 0.00 -1.52 0.00 0.00 31.29 30.73 3iss h VAL 240 CO -0.18 0.44 0.14 0.00 0.02 0.00 0.00 177.57 177.99 3iss h ALA 241 N 0.96 0.82 -0.15 1.67 0.00 -0.37 -1.75 119.26 120.43 3iss h ALA 241 Ca 0.16 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.20 3iss h ALA 241 Cb 0.63 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 3iss h ALA 241 CO 0.04 -0.32 0.00 0.00 0.00 0.00 0.00 179.25 178.97 3iss h ALA 242 N 1.55 0.21 0.00 0.00 0.00 -1.05 -3.00 119.26 116.97 3iss h ALA 242 Ca 0.37 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 3iss h ALA 242 Cb 0.59 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 3iss h ALA 242 CO -0.47 -0.10 -0.11 0.00 0.00 0.00 0.00 179.25 178.57 3iss h ALA 243 N 0.77 1.52 0.00 0.00 0.00 -0.66 -1.24 119.26 119.66 3iss h ALA 243 Ca 0.04 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 3iss h ALA 243 Cb 0.36 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3iss h ALA 243 CO 0.01 0.14 -1.21 0.44 0.00 0.00 0.00 179.25 178.63 3iss n ILE 244 N -3.98 0.67 -0.03 0.00 -5.35 -0.72 -3.85 119.36 106.09 3iss n ILE 244 Ca -0.02 -0.57 0.10 0.00 -0.27 0.00 0.00 62.75 61.98 3iss n ILE 244 Cb 0.20 -0.38 0.28 0.00 -1.74 0.00 0.00 39.64 38.01 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 -2.67 3.44 -3.00 7.28 3.41 -0.83 -4.92 113.62 116.32 3iss n SER 245 Ca -0.03 -2.03 -0.22 0.00 -0.26 0.00 0.00 58.87 56.34 3iss n SER 245 Cb 0.61 -0.43 0.02 0.00 -0.26 0.00 0.00 64.21 64.15 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 1.32 -4.26 0.00 4.33 1.74 -1.01 -4.50 116.66 114.29 3iss n ARG 246 Ca 0.21 0.83 0.00 0.00 -0.77 0.00 0.00 57.85 58.12 3iss n ARG 246 Cb 0.55 -5.64 0.00 0.00 -1.02 0.00 0.00 32.46 26.35 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 -1.39 2.89 3.40 -0.13 0.00 -0.53 -4.10 105.19 105.34 3iss n GLY 247 Ca -0.11 -1.96 -0.14 0.00 0.00 0.00 0.00 46.02 43.81 3iss n GLY 247 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3iss s LYS 248 N 3.04 0.66 -0.03 1.61 -2.85 -1.22 -2.39 119.74 118.57 3iss s LYS 248 Ca 0.00 0.54 -0.20 0.00 -1.00 0.00 0.00 55.97 55.31 3iss s LYS 248 Cb 0.00 0.32 0.04 0.00 -2.06 0.00 0.00 37.83 36.13 3iss s LYS 248 CO 0.00 -0.12 0.43 -1.50 0.10 0.00 0.00 175.35 174.26 3iss s ILE 249 N -0.12 0.04 -0.09 3.79 2.07 -0.24 -1.50 121.20 125.15 3iss s ILE 249 Ca -0.03 -0.30 0.04 0.00 -1.41 0.00 0.00 60.65 58.94 3iss s ILE 249 Cb -0.03 -0.73 0.00 0.00 0.13 0.00 0.00 42.46 41.82 3iss s ILE 249 CO 0.02 -0.17 -0.22 -0.63 -1.91 0.00 0.00 174.94 172.03 3iss s ILE 250 N -1.21 1.92 -0.21 2.00 -1.09 -0.69 -1.32 121.20 120.61 3iss s ILE 250 Ca -0.12 -0.94 -0.07 0.00 -2.23 0.00 0.00 60.65 57.28 3iss s ILE 250 Cb -0.04 -1.67 -0.04 0.00 -1.58 0.00 0.00 42.46 39.14 3iss s ILE 250 CO 0.06 0.53 0.06 0.00 -1.23 0.00 0.00 174.94 174.36 3iss s ARG 252 N 0.92 2.93 -0.92 0.00 1.81 0.44 -1.87 118.95 122.26 3iss s ARG 252 Ca 0.04 -0.74 -0.05 0.00 -1.72 0.00 0.00 55.73 53.26 3iss s ARG 252 Cb -0.14 -2.72 0.01 0.00 -0.45 0.00 0.00 34.95 31.65 3iss s ARG 252 CO 0.03 0.54 0.79 0.09 -0.68 0.00 0.00 175.30 176.07 3iss n ASN 253 N 0.16 -4.24 -4.91 0.23 4.13 -0.75 -0.99 115.26 108.88 3iss n ASN 253 Ca -0.08 -0.39 -0.20 0.00 1.68 0.00 0.00 54.58 55.59 3iss n ASN 253 Cb 0.53 -3.67 -0.02 0.00 -1.54 0.00 0.00 39.78 35.07 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 -3.23 4.14 -0.46 5.41 0.00 -0.51 -4.51 121.76 122.60 3iss s ALA 254 Ca 0.30 -1.76 0.03 0.00 0.00 0.00 0.00 51.96 50.53 3iss s ALA 254 Cb -0.13 -1.24 0.15 0.00 0.00 0.00 0.00 23.12 21.90 3iss s ALA 254 CO 0.51 -0.18 0.31 -1.14 0.00 0.00 0.00 175.76 175.26 3iss s GLN 255 N -4.16 1.21 0.38 0.00 0.74 -1.26 -4.27 119.66 112.30 3iss s GLN 255 Ca 0.48 -2.14 0.12 0.00 0.05 0.00 0.00 55.36 53.88 3iss s GLN 255 Cb -0.06 -2.00 0.93 0.00 1.10 0.00 0.00 33.01 32.98 3iss s GLN 255 CO 0.29 -1.27 1.85 -1.35 -0.55 0.00 0.00 175.29 174.26 3iss h PRO 256 N 6.19 0.55 0.00 1.67 0.11 -1.88 -1.42 132.00 137.22 3iss h PRO 256 Ca 0.13 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.20 3iss h PRO 256 Cb 0.90 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.89 3iss h PRO 256 CO 0.44 0.37 0.00 -0.40 -0.21 0.00 0.00 178.00 178.20 3iss n ASP 257 N -4.57 0.00 0.03 -2.05 5.68 -1.26 -0.92 116.55 113.45 3iss n ASP 257 Ca 0.19 0.14 0.11 0.00 -0.50 0.00 0.00 54.79 54.74 3iss n ASP 257 Cb 0.59 -0.20 0.05 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 -1.20 0.17 -1.86 2.12 -1.04 -0.54 -4.40 114.28 107.53 3iss n THR 258 Ca 0.02 -0.22 0.02 0.00 -2.04 0.00 0.00 64.05 61.82 3iss n THR 258 Cb 0.02 0.20 0.15 0.00 -1.82 0.00 0.00 70.33 68.88 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 -1.93 2.62 0.17 -4.42 4.77 -0.10 -4.89 117.00 113.22 3iss n LEU 259 Ca 0.02 -3.62 -0.16 0.00 -0.03 0.00 0.00 56.01 52.22 3iss n LEU 259 Cb 0.43 -0.37 -0.09 0.00 -2.33 0.00 0.00 43.42 41.05 3iss n LEU 259 CO 0.40 1.31 0.52 0.44 -1.33 0.00 0.00 177.39 178.72 3iss h ASP 260 N 1.20 -1.44 -0.79 -1.43 3.32 -1.77 -1.10 116.42 114.41 3iss h ASP 260 Ca -0.00 0.14 0.11 0.00 0.02 0.00 0.00 57.03 57.30 3iss h ASP 260 Cb 1.24 0.51 -0.08 0.00 0.22 0.00 0.00 39.33 41.23 3iss h ASP 260 CO 0.12 -0.57 0.41 0.00 -1.72 0.00 0.00 179.24 177.48 3iss h ALA 261 N -0.74 1.13 -0.46 3.45 0.00 -1.90 -0.78 119.26 119.96 3iss h ALA 261 Ca -0.03 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 3iss h ALA 261 Cb 0.76 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 3iss h ALA 261 CO -0.19 -0.02 0.05 0.28 0.00 0.00 0.00 179.25 179.37 3iss h VAL 262 N 0.66 1.25 -0.45 0.00 2.07 -1.85 -1.94 116.25 115.99 3iss h VAL 262 Ca 0.40 -0.95 -0.14 0.00 0.82 0.00 0.00 66.70 66.82 3iss h VAL 262 Cb 0.46 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 3iss h VAL 262 CO -0.30 0.33 -0.28 -0.07 0.02 0.00 0.00 177.57 177.28 3iss h LEU 263 N 0.64 1.03 -0.83 2.57 3.38 -0.56 -1.33 115.31 120.20 3iss h LEU 263 Ca 0.14 -0.42 0.01 0.00 0.09 0.00 0.00 57.88 57.70 3iss h LEU 263 Cb 0.42 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 3iss h LEU 263 CO 0.01 1.23 0.55 0.00 0.09 0.00 0.00 178.44 180.32 3iss h ALA 264 N 0.83 1.07 -0.58 1.53 0.00 -1.08 -1.56 119.26 119.46 3iss h ALA 264 Ca 0.09 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 3iss h ALA 264 Cb 0.87 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 3iss h ALA 264 CO 0.08 0.45 -0.05 -0.22 0.00 0.00 0.00 179.25 179.51 3iss h LYS 265 N 1.12 1.05 -0.88 0.00 1.63 -0.97 -2.13 116.57 116.39 3iss h LYS 265 Ca 0.31 -0.36 -0.02 0.00 -0.85 0.00 0.00 60.65 59.73 3iss h LYS 265 Cb -0.11 -0.08 -0.04 0.00 -0.60 0.00 0.00 32.23 31.40 3iss h LYS 265 CO -0.07 1.06 0.47 -0.07 -3.45 0.00 0.00 179.45 177.39 3iss h LEU 266 N 0.95 1.11 -0.31 5.20 3.38 -0.95 -1.16 115.31 123.53 3iss h LEU 266 Ca 0.16 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 3iss h LEU 266 Cb 0.62 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 3iss h LEU 266 CO 0.04 0.89 0.18 0.03 0.09 0.00 0.00 178.44 179.67 3iss h ARG 267 N 1.24 0.42 -0.30 1.13 3.08 -1.00 -1.36 114.38 117.59 3iss h ARG 267 Ca 0.31 -0.04 0.09 0.00 0.07 0.00 0.00 59.98 60.40 3iss h ARG 267 Cb 0.04 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 3iss h ARG 267 CO -0.05 0.34 0.23 -0.44 -1.07 0.00 0.00 179.97 178.98 3iss h ASP 268 N 0.38 0.00 0.78 7.04 3.32 -0.91 0.36 116.42 127.39 3iss h ASP 268 Ca 0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.16 3iss h ASP 268 Cb 0.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.58 3iss h ASP 268 CO -0.02 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.50 3iss n ALA 269 N -2.56 2.18 0.00 3.45 0.00 -0.48 -4.72 120.51 118.37 3iss n ALA 269 Ca 0.04 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.39 3iss n ALA 269 Cb 0.40 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.44 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 1.04 1.21 3.86 0.00 0.00 0.13 0.33 105.19 111.74 3iss n GLY 270 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.73 -4.90 121.76 121.65 3iss s ALA 271 Ca 0.00 -0.01 -0.12 0.00 0.00 0.00 0.00 51.96 51.83 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 0.21 0.26 0.34 0.00 0.00 0.00 175.76 176.57 3iss s ASP 272 N -2.55 5.84 -0.08 0.00 2.15 -0.19 -4.45 116.67 117.40 3iss s ASP 272 Ca 0.54 -1.13 0.05 0.00 0.43 0.00 0.00 52.55 52.44 3iss s ASP 272 Cb -0.10 -2.06 -0.01 0.00 -0.30 0.00 0.00 42.92 40.45 3iss s ASP 272 CO 0.22 -0.47 -0.24 -0.63 -0.17 0.00 0.00 175.17 173.88 3iss s ILE 273 N 1.56 2.10 0.09 4.11 1.01 -1.26 -0.96 121.20 127.85 3iss s ILE 273 Ca 0.03 -1.03 0.07 0.00 0.00 0.00 0.00 60.65 59.72 3iss s ILE 273 Cb -0.21 -1.78 -0.03 0.00 0.01 0.00 0.00 42.46 40.45 3iss s ILE 273 CO 0.06 0.56 -0.18 -1.61 0.00 0.00 0.00 174.94 173.78 3iss s GLU 274 N 0.07 1.01 0.03 2.79 2.02 -0.77 -4.99 118.70 118.86 3iss s GLU 274 Ca -0.10 -1.06 0.06 0.00 0.02 0.00 0.00 54.97 53.89 3iss s GLU 274 Cb -0.16 -1.17 -0.02 0.00 0.10 0.00 0.00 34.13 32.89 3iss s GLU 274 CO 0.06 0.27 -0.19 0.14 0.02 0.00 0.00 175.26 175.57 3iss s VAL 275 N -1.17 1.48 0.00 2.63 -7.23 -1.26 -0.44 120.40 114.41 3iss s VAL 275 Ca 0.03 -1.03 0.00 0.00 -1.81 0.00 0.00 61.98 59.17 3iss s VAL 275 Cb -0.10 -1.28 0.00 0.00 0.56 0.00 0.00 36.38 35.56 3iss s VAL 275 CO 0.03 0.22 0.00 0.61 -0.31 0.00 0.00 175.10 175.65 3iss n GLY 276 N 2.09 2.98 0.14 2.32 0.00 -0.25 -4.99 105.19 107.48 3iss n GLY 276 Ca -0.17 -1.95 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 -0.15 0.00 -0.13 0.00 0.00 59.36 59.08 3iss h GLU 277 Cb 0.00 0.00 -0.27 0.00 0.63 0.00 0.00 28.75 29.11 3iss h GLU 277 CO 0.00 0.15 -0.72 -0.40 -0.73 0.00 0.00 179.01 177.31 3iss n ASP 278 N -2.91 0.21 -3.86 1.04 5.75 -1.26 -4.69 116.55 110.83 3iss n ASP 278 Ca -0.01 -1.97 -0.09 0.00 -0.01 0.00 0.00 54.79 52.71 3iss n ASP 278 Cb 0.64 -0.07 -0.08 0.00 -1.03 0.00 0.00 41.12 40.58 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 0.14 -0.01 2.11 1.48 -1.26 -1.43 118.94 119.97 3iss s TRP 279 Ca 0.19 -0.52 0.02 0.00 -1.06 0.00 0.00 56.10 54.74 3iss s TRP 279 Cb 0.22 -0.06 -0.00 0.00 -1.16 0.00 0.00 33.47 32.47 3iss s TRP 279 CO -0.10 -0.51 -0.06 0.42 -4.06 0.00 0.00 176.95 172.64 3iss s ILE 280 N -3.52 0.53 0.10 0.66 1.01 -0.78 -1.09 121.20 118.10 3iss s ILE 280 Ca 0.02 -0.26 0.10 0.00 0.00 0.00 0.00 60.65 60.51 3iss s ILE 280 Cb 0.03 -0.46 -0.04 0.00 0.01 0.00 0.00 42.46 42.01 3iss s ILE 280 CO -0.09 0.16 -0.26 -0.94 0.00 0.00 0.00 174.94 173.81 3iss s SER 281 N -0.01 3.16 -0.06 3.58 1.04 0.42 -0.20 113.70 121.63 3iss s SER 281 Ca 0.01 -0.68 -0.03 0.00 0.48 0.00 0.00 55.95 55.73 3iss s SER 281 Cb -0.04 -0.23 0.03 0.00 0.10 0.00 0.00 66.02 65.87 3iss s SER 281 CO -0.00 0.19 0.13 -0.22 0.98 0.00 0.00 173.24 174.32 3iss s LEU 282 N -1.73 0.97 -0.00 2.42 0.20 -0.43 -1.84 118.68 118.26 3iss s LEU 282 Ca 0.12 0.26 0.01 0.00 0.69 0.00 0.00 54.13 55.21 3iss s LEU 282 Cb -0.10 0.34 0.00 0.00 -0.43 0.00 0.00 46.19 46.00 3iss s LEU 282 CO 0.04 -0.12 -0.01 -0.62 -0.29 0.00 0.00 176.35 175.35 3iss s ASP 283 N 0.86 0.23 0.00 3.68 -1.08 -0.14 -1.08 116.67 119.15 3iss s ASP 283 Ca -0.07 -0.03 0.12 0.00 -0.52 0.00 0.00 52.55 52.05 3iss s ASP 283 Cb -0.09 -0.04 0.17 0.00 -1.46 0.00 0.00 42.92 41.49 3iss s ASP 283 CO -0.04 0.01 1.00 0.23 0.52 0.00 0.00 175.17 176.89 3iss n MET 284 N 3.18 1.32 -3.63 4.34 2.81 -1.00 -1.02 117.12 123.12 3iss n MET 284 Ca -0.14 -1.48 -0.23 0.00 -1.81 0.00 0.00 57.70 54.04 3iss n MET 284 Cb 0.58 -1.25 -0.06 0.00 -0.71 0.00 0.00 33.22 31.78 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 0.67 -0.80 -0.76 2.03 8.25 -1.26 -0.60 115.22 122.74 3iss n HIS 285 Ca 0.09 0.41 0.00 0.00 -0.26 0.00 0.00 57.72 57.96 3iss n HIS 285 Cb 0.35 -1.64 0.00 0.00 1.12 0.00 0.00 29.99 29.81 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 -1.68 0.83 3.86 -1.41 0.00 -1.26 -5.01 105.19 100.52 3iss n GLY 286 Ca -0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.24 3.88 0.11 1.61 -0.14 0.23 -4.98 119.74 120.21 3iss s LYS 287 Ca 0.00 0.42 -0.28 0.00 -1.36 0.00 0.00 55.97 54.76 3iss s LYS 287 Cb 0.00 -2.57 -0.06 0.00 -1.68 0.00 0.00 37.83 33.51 3iss s LYS 287 CO 0.00 0.26 0.88 0.50 -0.76 0.00 0.00 175.35 176.23 3iss s ARG 288 N -2.86 4.64 0.69 1.68 3.52 -1.26 -4.50 118.95 120.86 3iss s ARG 288 Ca 0.50 1.31 -0.16 0.00 -0.13 0.00 0.00 55.73 57.24 3iss s ARG 288 Cb -0.11 -3.35 0.02 0.00 -1.56 0.00 0.00 34.95 29.95 3iss s ARG 288 CO 0.20 0.30 1.20 -1.25 -0.81 0.00 0.00 175.30 174.94 3iss s PRO 289 N -0.24 2.37 -0.06 5.12 0.04 -1.26 -4.82 135.00 136.16 3iss s PRO 289 Ca 0.43 1.75 -0.09 0.00 0.04 0.00 0.00 61.00 63.13 3iss s PRO 289 Cb -0.23 -1.86 -0.05 0.00 0.04 0.00 0.00 34.50 32.41 3iss s PRO 289 CO 0.28 -1.66 0.24 0.15 0.04 0.00 0.00 177.00 176.05 3iss s LYS 290 N -3.80 3.59 0.40 4.56 -0.14 0.15 -1.15 119.74 123.36 3iss s LYS 290 Ca 0.75 0.02 -0.26 0.00 -1.36 0.00 0.00 55.97 55.12 3iss s LYS 290 Cb -0.29 -3.17 -0.11 0.00 -1.68 0.00 0.00 37.83 32.59 3iss s LYS 290 CO 0.42 0.72 1.20 0.00 -0.76 0.00 0.00 175.35 176.93 3iss n ALA 291 N 1.70 0.95 -2.39 5.17 0.00 -0.56 -4.33 120.51 121.04 3iss n ALA 291 Ca -0.16 0.28 -0.20 0.00 0.00 0.00 0.00 53.44 53.36 3iss n ALA 291 Cb 0.54 -2.21 -0.10 0.00 0.00 0.00 0.00 19.45 17.68 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 -1.19 1.28 -0.10 0.00 -7.23 -1.26 -4.85 120.40 107.05 3iss s VAL 292 Ca 0.61 -2.06 0.01 0.00 -1.81 0.00 0.00 61.98 58.73 3iss s VAL 292 Cb -0.54 -2.49 -0.02 0.00 0.56 0.00 0.00 36.38 33.89 3iss s VAL 292 CO 0.58 -0.24 -0.13 0.20 -0.31 0.00 0.00 175.10 175.20 3iss s ASN 293 N -3.40 4.07 0.01 4.85 0.02 -1.26 -3.43 114.94 115.81 3iss s ASN 293 Ca 0.31 -0.26 0.03 0.00 -1.02 0.00 0.00 52.86 51.92 3iss s ASN 293 Cb 0.06 -1.30 -0.01 0.00 0.02 0.00 0.00 41.25 40.01 3iss s ASN 293 CO 0.11 0.24 -0.09 -0.69 0.02 0.00 0.00 177.10 176.70 3iss s VAL 294 N -0.12 0.72 -0.18 1.60 1.01 -0.40 -4.99 120.40 118.03 3iss s VAL 294 Ca -0.01 -0.58 -0.00 0.00 0.00 0.00 0.00 61.98 61.39 3iss s VAL 294 Cb -0.14 -0.64 0.05 0.00 0.00 0.00 0.00 36.38 35.65 3iss s VAL 294 CO 0.03 0.07 -0.05 -0.60 0.00 0.00 0.00 175.10 174.55 3iss s ARG 295 N -0.57 1.45 0.47 2.72 3.52 -1.26 -0.27 118.95 125.00 3iss s ARG 295 Ca 0.01 -0.62 -0.22 0.00 -0.13 0.00 0.00 55.73 54.77 3iss s ARG 295 Cb -0.05 -2.15 -0.07 0.00 -1.56 0.00 0.00 34.95 31.11 3iss s ARG 295 CO 0.00 -0.48 1.13 0.95 -0.81 0.00 0.00 175.30 176.09 3iss s THR 296 N 1.59 3.29 0.11 4.11 -4.23 -0.05 -4.40 115.64 116.06 3iss s THR 296 Ca -0.01 0.92 -0.26 0.00 -1.18 0.00 0.00 61.69 61.17 3iss s THR 296 Cb -0.16 -3.45 0.08 0.00 1.34 0.00 0.00 72.50 70.31 3iss s THR 296 CO -0.07 -0.05 1.05 0.00 -0.54 0.00 0.00 174.62 175.01 3iss s ALA 297 N -1.64 -1.80 0.80 3.99 0.00 -0.30 -3.56 121.76 119.24 3iss s ALA 297 Ca 0.64 0.21 -0.13 0.00 0.00 0.00 0.00 51.96 52.69 3iss s ALA 297 Cb -0.26 0.59 0.08 0.00 0.00 0.00 0.00 23.12 23.53 3iss s ALA 297 CO 0.31 -1.05 1.19 -2.14 0.00 0.00 0.00 175.76 174.07 3iss s PRO 298 N -2.94 1.73 0.40 0.00 0.02 -1.26 -4.38 135.00 128.56 3iss s PRO 298 Ca 0.14 1.71 -0.25 0.00 0.02 0.00 0.00 61.00 62.62 3iss s PRO 298 Cb 0.00 -1.79 -0.11 0.00 0.02 0.00 0.00 34.50 32.62 3iss s PRO 298 CO 0.01 -2.14 1.01 1.58 -0.33 0.00 0.00 177.00 177.14 3iss n HIS 299 N -3.26 1.20 -0.50 6.54 -0.00 -1.26 -1.90 115.22 116.04 3iss n HIS 299 Ca 0.13 0.58 0.03 0.00 0.46 0.00 0.00 57.72 58.92 3iss n HIS 299 Cb 0.51 -2.24 0.29 0.00 -0.12 0.00 0.00 29.99 28.44 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 0.27 3.79 -1.08 1.57 -0.04 -1.26 -4.55 135.00 133.70 3iss n PRO 300 Ca 0.09 -2.43 -0.29 0.00 -0.04 0.00 0.00 63.50 60.83 3iss n PRO 300 Cb 0.38 -2.08 0.22 0.00 -0.04 0.00 0.00 33.50 31.98 3iss n PRO 300 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3iss s ALA 301 N -2.39 0.64 0.18 0.55 0.00 -0.80 -4.33 121.76 115.61 3iss s ALA 301 Ca 0.42 -0.72 -0.32 0.00 0.00 0.00 0.00 51.96 51.34 3iss s ALA 301 Cb 0.33 -2.98 -0.12 0.00 0.00 0.00 0.00 23.12 20.35 3iss s ALA 301 CO 0.12 -3.37 1.72 0.34 0.00 0.00 0.00 175.76 174.56 3iss n PHE 302 N -4.59 2.64 -2.82 0.00 -0.00 -1.26 -4.78 117.46 106.65 3iss n PHE 302 Ca 0.10 0.05 -0.40 0.00 -0.00 0.00 0.00 57.45 57.20 3iss n PHE 302 Cb 0.59 -2.66 -0.05 0.00 -0.00 0.00 0.00 39.48 37.35 3iss n PHE 302 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.76 175.51 3iss s PRO 303 N 1.39 4.71 0.47 -7.13 0.05 -1.26 -1.15 135.00 132.08 3iss s PRO 303 Ca 0.77 1.36 0.15 0.00 0.05 0.00 0.00 61.00 63.33 3iss s PRO 303 Cb -0.54 -3.31 1.13 0.00 0.05 0.00 0.00 34.50 31.83 3iss s PRO 303 CO 0.34 0.41 2.04 0.00 0.05 0.00 0.00 177.00 179.84 3iss h THR 304 N 3.56 0.92 0.00 1.26 1.03 -1.93 -1.42 112.91 116.33 3iss h THR 304 Ca -0.45 -0.09 0.00 0.00 -0.01 0.00 0.00 66.41 65.86 3iss h THR 304 Cb 1.20 0.64 0.00 0.00 -1.07 0.00 0.00 68.15 68.93 3iss h THR 304 CO 0.69 0.05 0.00 0.47 -0.01 0.00 0.00 175.52 176.72 3iss n ASP 305 N -4.47 0.00 -0.37 0.00 8.00 -1.26 -1.20 116.55 117.25 3iss n ASP 305 Ca 0.06 0.27 0.05 0.00 0.71 0.00 0.00 54.79 55.88 3iss n ASP 305 Cb 0.30 -0.35 0.03 0.00 -0.02 0.00 0.00 41.12 41.08 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 -1.35 0.79 -0.07 -1.24 2.81 -0.54 -4.77 117.12 112.75 3iss n MET 306 Ca 0.04 -1.00 -0.09 0.00 -1.81 0.00 0.00 57.70 54.83 3iss n MET 306 Cb 0.08 -1.17 -0.02 0.00 -0.71 0.00 0.00 33.22 31.40 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 1.82 0.35 -0.70 0.03 -0.00 -1.14 -2.35 115.11 113.12 3iss h GLN 307 Ca 0.00 -0.03 -0.07 0.00 -0.00 0.00 0.00 58.65 58.55 3iss h GLN 307 Cb 0.41 -0.08 -0.03 0.00 0.00 0.00 0.00 27.48 27.78 3iss h GLN 307 CO 0.00 0.25 0.16 0.00 0.00 0.00 0.00 178.83 179.23 3iss h ALA 308 N 1.08 0.93 -0.67 3.38 0.00 -1.86 -1.20 119.26 120.92 3iss h ALA 308 Ca 0.10 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3iss h ALA 308 Cb -0.02 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.47 3iss h ALA 308 CO -0.02 0.66 0.44 1.96 0.00 0.00 0.00 179.25 182.29 3iss h GLN 309 N 1.07 0.89 0.00 0.00 7.50 -1.80 -1.11 115.11 121.66 3iss h GLN 309 Ca 0.22 -0.06 -0.05 0.00 0.50 0.00 0.00 58.65 59.25 3iss h GLN 309 Cb 0.39 -0.20 -0.01 0.00 0.05 0.00 0.00 27.48 27.72 3iss h GLN 309 CO 0.01 0.60 -0.25 0.74 -1.50 0.00 0.00 178.83 178.42 3iss h PHE 310 N 0.91 0.00 -0.55 2.96 -1.00 -1.20 -1.75 116.94 116.31 3iss h PHE 310 Ca 0.24 0.00 -0.05 0.00 2.81 0.00 0.00 57.97 60.97 3iss h PHE 310 Cb -0.09 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.45 3iss h PHE 310 CO -0.02 0.25 0.14 1.15 -1.61 0.00 0.00 178.31 178.22 3iss h THR 311 N 0.00 1.24 -0.19 -1.55 2.02 -0.52 -1.15 112.91 112.76 3iss h THR 311 Ca -0.00 -0.87 -0.00 0.00 0.77 0.00 0.00 66.41 66.31 3iss h THR 311 Cb 0.95 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 68.10 3iss h THR 311 CO 0.03 0.32 0.11 0.25 0.37 0.00 0.00 175.52 176.61 3iss h LEU 312 N 0.79 0.23 -0.17 2.58 5.85 -0.84 -1.62 115.31 122.13 3iss h LEU 312 Ca 0.17 -0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.89 3iss h LEU 312 Cb 0.34 -0.06 -0.07 0.00 0.37 0.00 0.00 40.66 41.24 3iss h LEU 312 CO 0.00 0.22 -0.45 0.25 -0.34 0.00 0.00 178.44 178.11 3iss h LEU 313 N 0.23 -1.44 -1.81 2.25 6.46 -1.16 0.48 115.31 120.32 3iss h LEU 313 Ca 0.07 0.19 0.14 0.00 -0.12 0.00 0.00 57.88 58.16 3iss h LEU 313 Cb 0.03 0.58 -0.03 0.00 -0.73 0.00 0.00 40.66 40.51 3iss h LEU 313 CO -0.01 -0.44 0.42 0.78 -0.62 0.00 0.00 178.44 178.58 3iss h ASN 314 N -0.50 0.18 1.27 1.25 2.35 -1.05 -1.91 115.58 117.17 3iss h ASN 314 Ca 0.07 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 3iss h ASN 314 Cb 0.64 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.98 3iss h ASN 314 CO -0.43 0.10 0.00 -0.07 -1.65 0.00 0.00 177.43 175.37 3iss h LEU 315 N 0.19 0.00 -3.03 1.61 3.38 0.10 -2.59 115.31 114.97 3iss h LEU 315 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 3iss h LEU 315 Cb 0.89 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.64 3iss h LEU 315 CO -0.05 0.00 0.00 1.33 0.09 0.00 0.00 178.44 179.81 3iss n VAL 316 N -2.71 1.63 -2.86 1.22 0.24 -0.78 -0.85 118.33 114.22 3iss n VAL 316 Ca 0.03 -1.74 -0.20 0.00 -2.04 0.00 0.00 64.34 60.39 3iss n VAL 316 Cb 0.36 0.03 0.05 0.00 -1.47 0.00 0.00 33.84 32.82 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 -2.18 4.29 -0.37 2.33 0.00 -0.87 -4.72 121.76 120.24 3iss s ALA 317 Ca 0.24 -1.77 -0.23 0.00 0.00 0.00 0.00 51.96 50.20 3iss s ALA 317 Cb 0.20 -1.74 0.01 0.00 0.00 0.00 0.00 23.12 21.59 3iss s ALA 317 CO 0.04 -0.80 0.80 -2.00 0.00 0.00 0.00 175.76 173.80 3iss s GLU 318 N -4.70 3.73 0.00 0.00 2.12 -0.30 -3.98 118.70 115.57 3iss s GLU 318 Ca 0.60 0.30 0.00 0.00 0.36 0.00 0.00 54.97 56.23 3iss s GLU 318 Cb -0.08 -3.82 0.00 0.00 0.26 0.00 0.00 34.13 30.49 3iss s GLU 318 CO 0.38 -0.88 0.00 0.41 -0.54 0.00 0.00 175.26 174.63 3iss n GLY 319 N 4.56 -1.08 3.40 -1.50 0.00 -1.26 -1.50 105.19 107.81 3iss n GLY 319 Ca 0.03 -2.13 -0.33 0.00 0.00 0.00 0.00 46.02 43.60 3iss n GLY 319 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3iss s THR 320 N 0.00 3.09 0.03 2.61 2.01 -1.26 -1.70 115.64 120.42 3iss s THR 320 Ca 0.00 -0.66 0.02 0.00 0.31 0.00 0.00 61.69 61.36 3iss s THR 320 Cb 0.00 -2.28 -0.02 0.00 0.01 0.00 0.00 72.50 70.21 3iss s THR 320 CO 0.00 0.54 -0.08 -0.83 -0.69 0.00 0.00 174.62 173.56 3iss s GLY 321 N 0.12 0.47 0.18 4.40 0.00 -0.77 -4.75 107.32 106.97 3iss s GLY 321 Ca -0.06 -0.68 0.08 0.00 0.00 0.00 0.00 44.72 44.07 3iss s GLY 321 CO 0.05 -0.71 -0.06 -0.11 0.00 0.00 0.00 173.10 172.27 3iss s PHE 322 N -1.15 2.71 -0.12 1.90 -0.71 -1.22 -0.89 117.98 118.50 3iss s PHE 322 Ca -0.08 -0.19 -0.00 0.00 -1.04 0.00 0.00 56.93 55.62 3iss s PHE 322 Cb -0.09 -1.31 0.02 0.00 -1.21 0.00 0.00 43.02 40.44 3iss s PHE 322 CO 0.00 0.52 -0.10 0.42 -1.34 0.00 0.00 175.22 174.73 3iss s ILE 323 N -1.76 1.17 -0.13 -4.49 1.01 -0.41 -1.28 121.20 115.31 3iss s ILE 323 Ca 0.26 -0.39 -0.03 0.00 0.00 0.00 0.00 60.65 60.50 3iss s ILE 323 Cb -0.09 -1.15 -0.03 0.00 0.01 0.00 0.00 42.46 41.20 3iss s ILE 323 CO 0.17 0.39 -0.03 -0.89 0.00 0.00 0.00 174.94 174.58 3iss s THR 324 N 1.57 4.01 -0.23 2.92 2.01 0.62 -0.85 115.64 125.68 3iss s THR 324 Ca 0.03 -0.33 -0.06 0.00 0.31 0.00 0.00 61.69 61.65 3iss s THR 324 Cb -0.13 -2.73 -0.02 0.00 0.01 0.00 0.00 72.50 69.63 3iss s THR 324 CO -0.08 0.53 0.01 -0.70 -0.69 0.00 0.00 174.62 173.69 3iss s GLU 325 N -0.05 3.52 0.00 4.92 2.56 -0.69 -0.87 118.70 128.08 3iss s GLU 325 Ca 0.02 -0.55 0.09 0.00 0.00 0.00 0.00 54.97 54.53 3iss s GLU 325 Cb -0.13 -3.16 0.02 0.00 2.00 0.00 0.00 34.13 32.86 3iss s GLU 325 CO 0.02 -0.19 0.65 0.25 -0.56 0.00 0.00 175.26 175.44 3iss n THR 326 N 4.84 0.00 -0.12 -1.70 -2.24 -1.23 -4.53 114.28 109.29 3iss n THR 326 Ca -0.17 -0.44 -0.24 0.00 -2.27 0.00 0.00 64.05 60.92 3iss n THR 326 Cb 0.51 1.13 -0.09 0.00 -2.10 0.00 0.00 70.33 69.78 3iss n THR 326 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3iss n VAL 327 N -0.01 1.52 -3.87 2.28 0.31 -1.26 -4.80 118.33 112.50 3iss n VAL 327 Ca 0.04 -0.23 -0.30 0.00 -0.01 0.00 0.00 64.34 63.84 3iss n VAL 327 Cb 0.19 -2.00 -0.14 0.00 -0.91 0.00 0.00 33.84 30.98 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 -2.54 2.79 0.50 3.52 0.08 -1.26 -5.00 117.98 116.06 3iss s PHE 328 Ca -0.35 -2.77 0.28 0.00 0.12 0.00 0.00 56.93 54.21 3iss s PHE 328 Cb 0.11 -2.45 1.61 0.00 -0.57 0.00 0.00 43.02 41.72 3iss s PHE 328 CO 0.49 -0.81 2.16 0.93 -0.10 0.00 0.00 175.22 177.88 3iss h GLU 329 N 6.95 0.00 -0.65 0.44 5.08 -1.80 -2.71 114.58 121.89 3iss h GLU 329 Ca -0.06 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.11 3iss h GLU 329 Cb 0.94 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 30.08 3iss h GLU 329 CO 0.57 0.07 0.21 0.09 -1.00 0.00 0.00 179.01 178.95 3iss n ASN 330 N -3.77 4.48 -3.82 1.42 3.02 -1.25 -4.68 115.26 110.67 3iss n ASN 330 Ca -0.02 -3.26 -0.42 0.00 -0.03 0.00 0.00 54.58 50.84 3iss n ASN 330 Cb 0.16 -0.71 0.00 0.00 -0.61 0.00 0.00 39.78 38.63 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 -0.32 4.01 -0.13 3.52 0.63 -1.03 -4.56 116.66 118.79 3iss n ARG 331 Ca 0.38 -3.76 0.01 0.00 -0.92 0.00 0.00 57.85 53.57 3iss n ARG 331 Cb 1.30 -2.78 0.02 0.00 0.45 0.00 0.00 32.46 31.45 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 2.88 0.00 0.15 -0.14 3.72 -1.26 -4.85 117.46 117.96 3iss n PHE 332 Ca 0.41 -0.21 0.16 0.00 -0.05 0.00 0.00 57.45 57.76 3iss n PHE 332 Cb 0.33 -0.04 0.74 0.00 -0.94 0.00 0.00 39.48 39.57 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 -0.19 -1.08 2.86 -1.96 -0.32 114.93 114.24 3iss h MET 333 Ca 0.00 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.66 3iss h MET 333 Cb 1.00 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.65 3iss h MET 333 CO 0.00 0.00 0.13 1.12 1.06 0.00 0.00 176.91 179.22 3iss h HIS 334 N 0.00 0.17 0.45 -0.22 -0.00 -1.94 -3.25 115.15 110.37 3iss h HIS 334 Ca 0.12 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.48 3iss h HIS 334 Cb 0.54 -0.06 -0.01 0.00 -0.00 0.00 0.00 27.41 27.89 3iss h HIS 334 CO 0.00 0.10 -0.28 0.28 -0.00 0.00 0.00 177.93 178.04 3iss h VAL 335 N 0.18 0.43 -0.73 6.12 2.07 -1.44 -0.19 116.25 122.69 3iss h VAL 335 Ca 0.08 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.64 3iss h VAL 335 Cb 0.08 0.43 -0.04 0.00 -1.52 0.00 0.00 31.29 30.24 3iss h VAL 335 CO -0.01 0.00 0.48 -0.65 0.02 0.00 0.00 177.57 177.40 3iss h PRO 336 N -0.70 0.83 -0.17 1.57 0.11 -1.72 -0.09 132.00 131.83 3iss h PRO 336 Ca -0.05 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.00 3iss h PRO 336 Cb 0.57 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.49 3iss h PRO 336 CO 0.05 0.55 0.06 0.93 -0.21 0.00 0.00 178.00 179.38 3iss h GLU 337 N 0.85 0.26 -0.13 1.05 4.39 -1.51 -1.80 114.58 117.69 3iss h GLU 337 Ca 0.30 -0.05 0.03 0.00 0.34 0.00 0.00 59.36 59.98 3iss h GLU 337 Cb 0.11 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.71 3iss h GLU 337 CO -0.09 0.35 0.09 -0.07 -1.16 0.00 0.00 179.01 178.13 3iss h LEU 338 N 0.11 0.02 -1.41 1.33 3.38 -0.35 -0.08 115.31 118.31 3iss h LEU 338 Ca 0.06 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 3iss h LEU 338 Cb 0.19 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3iss h LEU 338 CO -0.00 0.01 -0.20 0.28 0.09 0.00 0.00 178.44 178.62 3iss h SER 339 N 0.02 0.14 0.22 -0.43 0.02 -0.21 -1.29 113.55 112.03 3iss h SER 339 Ca 0.06 -0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 60.96 3iss h SER 339 Cb 0.21 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 62.71 3iss h SER 339 CO -0.00 0.35 -0.10 0.03 -1.14 0.00 0.00 176.83 175.97 3iss h ARG 340 N 0.13 0.00 -0.57 3.45 3.08 -0.41 -2.15 114.38 117.91 3iss h ARG 340 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 3iss h ARG 340 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.48 3iss h ARG 340 CO 0.03 0.10 0.00 -1.33 -1.07 0.00 0.00 179.97 177.70 3iss n MET 341 N -3.86 2.48 -0.31 0.04 2.81 -0.54 -4.83 117.12 112.90 3iss n MET 341 Ca -0.02 -2.05 0.00 0.00 -1.81 0.00 0.00 57.70 53.82 3iss n MET 341 Cb 0.19 -1.51 0.00 0.00 -0.71 0.00 0.00 33.22 31.20 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 1.29 0.80 3.78 3.03 0.00 -0.81 -0.75 105.19 112.53 3iss n GLY 342 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.13 2.68 -0.36 4.61 0.00 -0.86 -4.96 121.76 120.74 3iss s ALA 343 Ca 0.00 0.60 -0.04 0.00 0.00 0.00 0.00 51.96 52.52 3iss s ALA 343 Cb 0.00 -3.30 0.07 0.00 0.00 0.00 0.00 23.12 19.90 3iss s ALA 343 CO 0.00 -0.83 0.12 -1.01 0.00 0.00 0.00 175.76 174.05 3iss s HIS 344 N -2.13 3.39 0.00 0.00 0.09 -1.26 -4.48 115.29 110.89 3iss s HIS 344 Ca 0.68 -1.95 -0.09 0.00 -0.00 0.00 0.00 55.06 53.69 3iss s HIS 344 Cb -0.20 -2.64 0.01 0.00 -0.00 0.00 0.00 32.58 29.75 3iss s HIS 344 CO 0.32 -0.86 0.18 0.00 -0.00 0.00 0.00 174.74 174.38 3iss s ALA 345 N 1.26 -0.43 0.07 -1.40 0.00 -1.26 -1.34 121.76 118.67 3iss s ALA 345 Ca 0.01 -0.05 0.06 0.00 0.00 0.00 0.00 51.96 51.99 3iss s ALA 345 Cb -0.21 0.11 -0.03 0.00 0.00 0.00 0.00 23.12 22.99 3iss s ALA 345 CO -0.01 -0.23 -0.17 -1.83 0.00 0.00 0.00 175.76 173.52 3iss s GLU 346 N -1.43 0.99 -0.25 0.00 1.03 -0.45 -4.97 118.70 113.61 3iss s GLU 346 Ca -0.14 -0.99 -0.05 0.00 0.03 0.00 0.00 54.97 53.82 3iss s GLU 346 Cb -0.07 -1.09 -0.00 0.00 -0.80 0.00 0.00 34.13 32.17 3iss s GLU 346 CO 0.02 0.25 0.01 0.42 -1.33 0.00 0.00 175.26 174.63 3iss s ILE 347 N -1.12 3.62 -0.35 1.83 1.01 -1.26 0.25 121.20 125.18 3iss s ILE 347 Ca 0.02 -0.59 -0.04 0.00 0.00 0.00 0.00 60.65 60.04 3iss s ILE 347 Cb -0.10 -2.76 0.06 0.00 0.01 0.00 0.00 42.46 39.68 3iss s ILE 347 CO 0.03 0.27 0.10 -1.61 0.00 0.00 0.00 174.94 173.72 3iss s GLU 348 N 1.48 2.38 6.18 2.79 0.41 -0.18 -4.98 118.70 126.77 3iss s GLU 348 Ca 0.04 -1.40 0.00 0.00 -0.41 0.00 0.00 54.97 53.20 3iss s GLU 348 Cb -0.16 -3.39 0.00 0.00 -1.78 0.00 0.00 34.13 28.80 3iss s GLU 348 CO -0.01 -0.77 0.00 0.45 -0.49 0.00 0.00 175.26 174.45 3iss n SER 349 N 4.68 0.00 -1.33 -0.19 2.88 -1.26 -1.32 113.62 117.08 3iss n SER 349 Ca -0.10 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.38 3iss n SER 349 Cb 0.43 0.00 0.21 0.00 -0.75 0.00 0.00 64.21 64.10 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 9.06 2.88 -4.11 -3.46 0.23 -1.26 -4.92 115.26 113.67 3iss n ASN 350 Ca 0.00 -3.66 -0.27 0.00 -0.53 0.00 0.00 54.58 50.12 3iss n ASN 350 Cb 0.00 -0.66 -0.17 0.00 -2.08 0.00 0.00 39.78 36.87 3iss n ASN 350 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 3iss s THR 351 N -3.21 1.46 -0.20 5.53 2.01 -0.44 -1.71 115.64 119.09 3iss s THR 351 Ca 0.47 -0.69 -0.11 0.00 0.31 0.00 0.00 61.69 61.67 3iss s THR 351 Cb 0.41 -1.29 -0.05 0.00 0.01 0.00 0.00 72.50 71.58 3iss s THR 351 CO 0.03 0.43 0.18 0.54 -0.69 0.00 0.00 174.62 175.10 3iss s VAL 352 N 0.40 5.37 -0.31 3.82 0.11 -0.03 -1.01 120.40 128.75 3iss s VAL 352 Ca -0.13 0.27 -0.11 0.00 -2.93 0.00 0.00 61.98 59.09 3iss s VAL 352 Cb -0.15 -3.52 -0.03 0.00 -1.53 0.00 0.00 36.38 31.16 3iss s VAL 352 CO 0.05 0.40 0.19 -0.63 -3.33 0.00 0.00 175.10 171.78 3iss s ILE 353 N 0.58 5.05 -0.11 7.04 1.01 0.14 -1.29 121.20 133.62 3iss s ILE 353 Ca 0.10 -0.15 -0.02 0.00 0.00 0.00 0.00 60.65 60.58 3iss s ILE 353 Cb -0.12 -3.51 -0.03 0.00 0.01 0.00 0.00 42.46 38.81 3iss s ILE 353 CO 0.01 0.12 -0.02 0.00 0.00 0.00 0.00 174.94 175.05 3iss s HIS 355 N -0.44 3.57 0.13 0.00 3.76 -0.45 -1.85 115.29 120.01 3iss s HIS 355 Ca 0.08 -2.72 -0.33 0.00 -0.15 0.00 0.00 55.06 51.94 3iss s HIS 355 Cb -0.12 -2.55 -0.13 0.00 1.11 0.00 0.00 32.58 30.90 3iss s HIS 355 CO 0.02 -0.92 1.69 0.41 -0.85 0.00 0.00 174.74 175.09 3iss n GLY 356 N 4.33 1.34 3.92 -2.22 0.00 -0.69 -4.21 105.19 107.67 3iss n GLY 356 Ca -0.03 0.68 -0.20 0.00 0.00 0.00 0.00 46.02 46.47 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 1.64 4.02 0.05 1.61 -7.23 -0.03 -4.68 120.40 115.77 3iss s VAL 357 Ca 0.80 -1.17 -0.19 0.00 -1.81 0.00 0.00 61.98 59.62 3iss s VAL 357 Cb -0.61 -3.37 -0.15 0.00 0.56 0.00 0.00 36.38 32.81 3iss s VAL 357 CO 0.38 -0.19 1.29 -0.08 -0.31 0.00 0.00 175.10 176.19 3iss h GLU 358 N 1.10 0.47 -2.47 4.82 4.22 -1.86 -3.37 114.58 117.49 3iss h GLU 358 Ca -0.46 -0.31 -0.09 0.00 0.08 0.00 0.00 59.36 58.58 3iss h GLU 358 Cb 1.25 0.04 -0.20 0.00 0.50 0.00 0.00 28.75 30.34 3iss h GLU 358 CO 0.56 0.92 -0.04 -1.59 -2.18 0.00 0.00 179.01 176.68 3iss s LYS 359 N -3.98 0.81 0.45 1.92 -2.85 -1.26 -5.03 119.74 109.80 3iss s LYS 359 Ca -0.13 0.24 0.00 0.00 -1.00 0.00 0.00 55.97 55.08 3iss s LYS 359 Cb 0.06 0.38 -0.00 0.00 -2.06 0.00 0.00 37.83 36.20 3iss s LYS 359 CO 0.80 -0.21 0.67 -0.51 0.10 0.00 0.00 175.35 176.20 3iss s LEU 360 N -0.82 3.65 -0.05 2.77 1.43 -1.26 -4.96 118.68 119.43 3iss s LEU 360 Ca -0.09 0.30 0.05 0.00 -1.03 0.00 0.00 54.13 53.36 3iss s LEU 360 Cb -0.03 -3.18 -0.02 0.00 0.03 0.00 0.00 46.19 42.99 3iss s LEU 360 CO 0.05 -0.70 -0.21 -0.44 0.23 0.00 0.00 176.35 175.29 3iss s SER 361 N -4.21 3.47 0.47 2.29 0.01 0.07 0.38 113.70 116.17 3iss s SER 361 Ca 0.48 -0.38 -0.24 0.00 1.31 0.00 0.00 55.95 57.12 3iss s SER 361 Cb -0.10 -0.80 -0.08 0.00 0.21 0.00 0.00 66.02 65.25 3iss s SER 361 CO 0.38 0.29 1.29 0.61 0.41 0.00 0.00 173.24 176.22 3iss n GLY 362 N 2.69 0.60 3.80 3.44 0.00 -0.72 -4.35 105.19 110.65 3iss n GLY 362 Ca -0.17 0.12 -0.04 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.25 -1.48 -0.15 4.61 0.00 -1.04 -4.80 121.76 117.66 3iss s ALA 363 Ca 0.65 -0.13 -0.24 0.00 0.00 0.00 0.00 51.96 52.24 3iss s ALA 363 Cb -0.47 0.70 -0.02 0.00 0.00 0.00 0.00 23.12 23.33 3iss s ALA 363 CO 0.55 -1.04 0.78 -0.65 0.00 0.00 0.00 175.76 175.40 3iss s GLN 364 N -3.07 4.31 0.15 0.00 -0.21 -1.26 -2.08 119.66 117.49 3iss s GLN 364 Ca 0.14 0.94 0.04 0.00 0.02 0.00 0.00 55.36 56.50 3iss s GLN 364 Cb -0.03 -3.55 -0.04 0.00 1.00 0.00 0.00 33.01 30.39 3iss s GLN 364 CO 0.05 -0.25 -0.08 0.14 -2.12 0.00 0.00 175.29 173.03 3iss s VAL 365 N 1.87 1.02 -0.17 1.09 -7.23 0.07 -4.96 120.40 112.09 3iss s VAL 365 Ca 0.37 -2.03 0.01 0.00 -1.81 0.00 0.00 61.98 58.52 3iss s VAL 365 Cb -0.17 -1.89 0.02 0.00 0.56 0.00 0.00 36.38 34.91 3iss s VAL 365 CO 0.13 -0.71 -0.20 -0.32 -0.31 0.00 0.00 175.10 173.69 3iss s MET 366 N -3.79 2.96 0.36 4.82 1.75 -1.26 -0.60 119.30 123.53 3iss s MET 366 Ca 0.17 -0.82 -0.26 0.00 -1.25 0.00 0.00 55.69 53.53 3iss s MET 366 Cb 0.04 -2.52 -0.09 0.00 2.84 0.00 0.00 34.83 35.10 3iss s MET 366 CO 0.01 -0.17 1.07 0.00 -0.65 0.00 0.00 175.02 175.28 3iss s ALA 367 N 1.20 3.20 0.00 4.11 0.00 -0.89 -4.94 121.76 124.43 3iss s ALA 367 Ca 0.02 0.79 0.00 0.00 0.00 0.00 0.00 51.96 52.77 3iss s ALA 367 Cb -0.14 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 19.69 3iss s ALA 367 CO -0.11 -0.22 0.00 0.25 0.00 0.00 0.00 175.76 175.68 3iss n THR 368 N 0.37 0.00 -3.95 0.00 -2.24 -1.26 -4.84 114.28 102.35 3iss n THR 368 Ca 0.03 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.51 3iss n THR 368 Cb 0.48 0.57 -0.16 0.00 -2.10 0.00 0.00 70.33 69.11 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 3.11 0.28 3.42 -1.08 -1.26 -5.02 116.67 116.12 3iss s ASP 369 Ca 0.00 -0.77 0.19 0.00 -0.52 0.00 0.00 52.55 51.46 3iss s ASP 369 Cb 0.00 -1.09 0.99 0.00 -1.46 0.00 0.00 42.92 41.36 3iss s ASP 369 CO 0.00 -0.16 1.08 -0.11 0.52 0.00 0.00 175.17 176.50 3iss n LEU 370 N 4.77 0.18 -0.04 -1.34 7.94 -1.26 -1.63 117.00 125.62 3iss n LEU 370 Ca -0.14 1.02 -0.05 0.00 -1.11 0.00 0.00 56.01 55.73 3iss n LEU 370 Cb 0.47 -0.50 -0.03 0.00 0.53 0.00 0.00 43.42 43.89 3iss n LEU 370 CO 0.19 -1.13 -0.75 0.54 -1.11 0.00 0.00 177.39 175.13 3iss n ARG 371 N -4.24 0.18 -0.04 1.96 5.12 -1.26 -4.09 116.66 114.28 3iss n ARG 371 Ca 0.27 0.05 -0.01 0.00 -1.93 0.00 0.00 57.85 56.22 3iss n ARG 371 Cb 1.00 -1.11 0.25 0.00 -1.16 0.00 0.00 32.46 31.44 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 -0.03 1.29 0.00 7.54 0.00 -1.79 -2.81 119.26 123.46 3iss h ALA 372 Ca -0.17 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3iss h ALA 372 Cb 1.25 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3iss h ALA 372 CO -0.04 0.48 0.00 0.43 0.00 0.00 0.00 179.25 180.13 3iss n SER 373 N -4.27 0.25 0.26 0.00 7.64 -0.65 -1.92 113.62 114.93 3iss n SER 373 Ca 0.02 0.57 0.15 0.00 1.01 0.00 0.00 58.87 60.62 3iss n SER 373 Cb 0.25 -0.62 0.87 0.00 -1.01 0.00 0.00 64.21 63.70 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 2.34 1.67 0.00 -0.43 0.00 -1.73 0.11 119.26 121.23 3iss h ALA 374 Ca 0.00 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3iss h ALA 374 Cb 0.25 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3iss h ALA 374 CO 0.00 -0.12 -0.21 0.66 0.00 0.00 0.00 179.25 179.59 3iss h SER 375 N 0.00 0.00 -0.30 0.00 4.64 -1.61 -0.92 113.55 115.36 3iss h SER 375 Ca 0.04 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.20 3iss h SER 375 Cb 0.20 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.28 3iss h SER 375 CO -0.00 0.21 -0.39 -0.07 -0.87 0.00 0.00 176.83 175.71 3iss h LEU 376 N 0.00 0.91 -0.11 5.97 3.38 -1.18 0.13 115.31 124.40 3iss h LEU 376 Ca -0.00 -0.41 -0.01 0.00 0.09 0.00 0.00 57.88 57.54 3iss h LEU 376 Cb 0.44 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 3iss h LEU 376 CO 0.03 1.18 0.02 0.58 0.09 0.00 0.00 178.44 180.34 3iss h VAL 377 N 0.70 1.21 -0.56 1.22 2.07 -1.44 -1.43 116.25 118.01 3iss h VAL 377 Ca 0.06 -0.65 0.10 0.00 0.82 0.00 0.00 66.70 67.02 3iss h VAL 377 Cb 0.96 1.43 -0.08 0.00 -1.52 0.00 0.00 31.29 32.08 3iss h VAL 377 CO 0.09 0.19 0.14 -0.07 0.02 0.00 0.00 177.57 177.94 3iss h LEU 378 N -0.04 0.06 -0.78 2.57 4.07 -1.09 -1.19 115.31 118.92 3iss h LEU 378 Ca 0.03 0.09 0.06 0.00 0.08 0.00 0.00 57.88 58.14 3iss h LEU 378 Cb 0.27 0.11 -0.06 0.00 1.08 0.00 0.00 40.66 42.07 3iss h LEU 378 CO 0.00 0.05 0.47 0.00 -1.08 0.00 0.00 178.44 177.88 3iss h ALA 379 N 1.43 1.06 -0.67 1.53 0.00 -0.51 -1.86 119.26 120.23 3iss h ALA 379 Ca 0.29 -0.00 0.11 0.00 0.00 0.00 0.00 54.91 55.31 3iss h ALA 379 Cb 0.39 -0.20 -0.08 0.00 0.00 0.00 0.00 17.79 17.90 3iss h ALA 379 CO -0.35 0.20 0.26 0.78 0.00 0.00 0.00 179.25 180.14 3iss h GLY 380 N 0.87 0.98 1.50 0.00 0.00 -0.12 -0.48 103.07 105.82 3iss h GLY 380 Ca 0.34 -0.13 0.03 0.00 0.00 0.00 0.00 47.33 47.57 3iss h GLY 380 CO -0.17 -0.05 0.27 0.00 0.00 0.00 0.00 176.54 176.60 3iss n ILE 382 N -4.48 0.00 -1.61 0.00 -5.35 -0.81 -1.36 119.36 105.75 3iss n ILE 382 Ca 0.04 -0.31 -0.31 0.00 -0.27 0.00 0.00 62.75 61.90 3iss n ILE 382 Cb 0.15 1.12 0.05 0.00 -1.74 0.00 0.00 39.64 39.22 3iss n ILE 382 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3iss s ALA 383 N -1.84 2.70 -0.53 -1.28 0.00 -0.25 -4.54 121.76 116.01 3iss s ALA 383 Ca 0.09 0.04 -0.27 0.00 0.00 0.00 0.00 51.96 51.82 3iss s ALA 383 Cb 0.11 -3.16 0.03 0.00 0.00 0.00 0.00 23.12 20.10 3iss s ALA 383 CO 0.40 -1.20 1.11 -2.00 0.00 0.00 0.00 175.76 174.07 3iss s GLU 384 N -5.07 3.55 0.00 0.00 2.56 0.16 -1.81 118.70 118.08 3iss s GLU 384 Ca 0.58 0.25 0.00 0.00 0.00 0.00 0.00 54.97 55.80 3iss s GLU 384 Cb -0.14 -3.98 0.00 0.00 2.00 0.00 0.00 34.13 32.01 3iss s GLU 384 CO 0.55 -1.52 0.00 0.41 -0.56 0.00 0.00 175.26 174.14 3iss n GLY 385 N 5.00 0.64 3.37 -1.50 0.00 -0.31 -1.75 105.19 110.64 3iss n GLY 385 Ca 0.08 -1.71 -0.34 0.00 0.00 0.00 0.00 46.02 44.06 3iss n GLY 385 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3iss s THR 386 N 0.00 3.24 -0.06 2.61 2.01 -1.26 -0.66 115.64 121.52 3iss s THR 386 Ca 0.00 -0.58 0.05 0.00 0.31 0.00 0.00 61.69 61.48 3iss s THR 386 Cb 0.00 -2.40 -0.01 0.00 0.01 0.00 0.00 72.50 70.09 3iss s THR 386 CO 0.00 0.49 -0.22 -0.89 -0.69 0.00 0.00 174.62 173.31 3iss s THR 387 N 0.68 2.33 -0.26 -0.82 2.01 -0.19 -2.50 115.64 116.89 3iss s THR 387 Ca -0.05 -0.97 -0.02 0.00 0.31 0.00 0.00 61.69 60.96 3iss s THR 387 Cb -0.15 -1.87 0.03 0.00 0.01 0.00 0.00 72.50 70.52 3iss s THR 387 CO 0.02 0.57 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.79 3iss s VAL 388 N -0.21 2.95 -0.46 3.82 1.01 -0.89 -0.35 120.40 126.28 3iss s VAL 388 Ca -0.02 -1.07 -0.17 0.00 0.00 0.00 0.00 61.98 60.72 3iss s VAL 388 Cb -0.13 -2.53 0.05 0.00 0.00 0.00 0.00 36.38 33.76 3iss s VAL 388 CO 0.03 0.14 0.49 -0.69 0.00 0.00 0.00 175.10 175.07 3iss s VAL 389 N 1.32 5.06 0.41 2.92 1.01 0.31 -0.75 120.40 130.68 3iss s VAL 389 Ca -0.01 -0.59 -0.22 0.00 0.00 0.00 0.00 61.98 61.16 3iss s VAL 389 Cb -0.17 -4.15 -0.11 0.00 0.00 0.00 0.00 36.38 31.95 3iss s VAL 389 CO -0.04 -0.59 0.95 -0.62 0.00 0.00 0.00 175.10 174.80 3iss s ASP 390 N 2.31 7.02 -0.50 3.32 -1.08 0.23 -1.59 116.67 126.38 3iss s ASP 390 Ca 0.11 1.72 -0.03 0.00 -0.52 0.00 0.00 52.55 53.83 3iss s ASP 390 Cb -0.20 -2.55 0.00 0.00 -1.46 0.00 0.00 42.92 38.72 3iss s ASP 390 CO 0.11 -0.30 0.36 -1.14 0.52 0.00 0.00 175.17 174.72 3iss n ARG 391 N -0.40 -2.52 0.00 4.34 0.63 -1.17 -2.09 116.66 115.45 3iss n ARG 391 Ca 0.06 0.30 0.09 0.00 -0.92 0.00 0.00 57.85 57.38 3iss n ARG 391 Cb 0.53 -3.76 0.53 0.00 0.45 0.00 0.00 32.46 30.21 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 -3.46 0.00 0.18 5.15 -5.35 -1.23 -3.23 119.36 111.42 3iss n ILE 392 Ca -0.01 0.00 0.10 0.00 -0.27 0.00 0.00 62.75 62.57 3iss n ILE 392 Cb 0.53 -0.60 0.63 0.00 -1.74 0.00 0.00 39.64 38.46 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 -0.24 4.28 -0.00 -1.90 0.13 116.97 119.28 3iss h TYR 393 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 58.73 58.78 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 -0.09 0.45 -0.00 0.00 0.00 178.16 178.55 3iss h HIS 394 N 0.05 -0.19 -0.49 0.10 3.86 -1.92 -2.69 115.15 113.87 3iss h HIS 394 Ca 0.07 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.28 3iss h HIS 394 Cb 0.21 0.12 -0.02 0.00 1.06 0.00 0.00 27.41 28.78 3iss h HIS 394 CO -0.00 -0.14 0.23 0.82 0.86 0.00 0.00 177.93 179.70 3iss h ILE 395 N -0.04 1.17 0.00 2.45 2.04 -1.04 -1.84 117.51 120.26 3iss h ILE 395 Ca 0.12 -0.48 -0.01 0.00 1.00 0.00 0.00 64.86 65.49 3iss h ILE 395 Cb 0.23 0.55 -0.00 0.00 -0.74 0.00 0.00 36.82 36.86 3iss h ILE 395 CO -0.27 0.20 -0.05 0.44 0.00 0.00 0.00 178.15 178.46 3iss h ASP 396 N 0.68 0.00 1.05 1.72 3.32 -0.94 0.94 116.42 123.20 3iss h ASP 396 Ca 0.17 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.16 3iss h ASP 396 Cb 0.09 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 3iss h ASP 396 CO -0.02 0.05 -0.29 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 -1.07 -2.56 114.38 117.39 3iss h ARG 397 Ca -0.00 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.90 3iss h ARG 397 Cb 0.19 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.21 3iss h ARG 397 CO 0.01 0.29 -1.62 0.41 -1.07 0.00 0.00 179.97 177.99 3iss n GLY 398 N 0.39 -0.47 3.14 0.04 0.00 0.20 -3.70 105.19 104.78 3iss n GLY 398 Ca 0.01 -0.17 -0.24 0.00 0.00 0.00 0.00 46.02 45.61 3iss n GLY 398 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3iss s TYR 399 N -2.31 1.47 -0.62 1.61 2.02 -0.43 -4.94 117.35 114.16 3iss s TYR 399 Ca -0.05 -0.31 -0.28 0.00 -0.37 0.00 0.00 57.07 56.07 3iss s TYR 399 Cb 0.03 -0.96 0.02 0.00 -0.40 0.00 0.00 41.96 40.65 3iss s TYR 399 CO 0.39 -0.05 1.34 -2.00 -1.57 0.00 0.00 175.55 173.66 3iss s GLU 400 N -0.28 3.29 -1.02 -0.62 2.12 -1.26 -4.42 118.70 116.51 3iss s GLU 400 Ca 0.04 0.20 -0.14 0.00 0.36 0.00 0.00 54.97 55.43 3iss s GLU 400 Cb -0.07 -4.13 -0.01 0.00 0.26 0.00 0.00 34.13 30.18 3iss s GLU 400 CO -0.00 -1.98 0.76 0.54 -0.54 0.00 0.00 175.26 174.04 3iss n ARG 401 N 8.85 -1.32 0.22 4.30 1.74 -1.26 -4.87 116.66 124.32 3iss n ARG 401 Ca 0.09 0.69 0.07 0.00 -0.77 0.00 0.00 57.85 57.93 3iss n ARG 401 Cb 0.49 -4.17 0.50 0.00 -1.02 0.00 0.00 32.46 28.26 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 -1.22 0.93 -0.06 0.55 2.10 -1.96 -2.92 117.51 114.94 3iss h ILE 402 Ca -0.55 -0.99 -0.15 0.00 1.08 0.00 0.00 64.86 64.25 3iss h ILE 402 Cb 1.31 1.58 -0.01 0.00 -1.09 0.00 0.00 36.82 38.60 3iss h ILE 402 CO 0.43 0.26 -0.64 1.05 -1.08 0.00 0.00 178.15 178.17 3iss h GLU 403 N 0.00 0.22 -0.21 2.19 9.09 -1.97 -1.37 114.58 122.52 3iss h GLU 403 Ca -0.00 -0.16 -0.04 0.00 0.05 0.00 0.00 59.36 59.20 3iss h GLU 403 Cb 0.56 0.03 -0.01 0.00 -1.65 0.00 0.00 28.75 27.68 3iss h GLU 403 CO 0.03 0.79 -0.03 -0.44 0.05 0.00 0.00 179.01 179.42 3iss h ASP 404 N 0.16 0.39 -0.56 3.06 3.32 -1.89 -0.61 116.42 120.29 3iss h ASP 404 Ca -0.01 -0.34 -0.08 0.00 0.02 0.00 0.00 57.03 56.62 3iss h ASP 404 Cb 1.16 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.58 3iss h ASP 404 CO 0.10 0.64 0.04 0.11 -1.72 0.00 0.00 179.24 178.41 3iss h LYS 405 N 0.14 0.99 -0.47 3.56 1.57 -1.51 -1.74 116.57 119.11 3iss h LYS 405 Ca 0.06 -0.28 -0.13 0.00 -1.87 0.00 0.00 60.65 58.43 3iss h LYS 405 Cb 0.45 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 3iss h LYS 405 CO 0.02 0.95 -0.20 -0.07 -0.57 0.00 0.00 179.45 179.57 3iss h LEU 406 N 0.92 1.00 -0.55 2.94 3.38 -1.19 -3.02 115.31 118.78 3iss h LEU 406 Ca 0.18 -0.39 -0.03 0.00 0.09 0.00 0.00 57.88 57.72 3iss h LEU 406 Cb 0.48 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 3iss h LEU 406 CO 0.02 1.17 0.22 -0.09 0.09 0.00 0.00 178.44 179.85 3iss h ARG 407 N 0.82 0.82 0.00 1.13 2.43 -0.94 -0.68 114.38 117.96 3iss h ARG 407 Ca 0.11 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3iss h ARG 407 Cb 0.78 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.19 3iss h ARG 407 CO 0.06 0.71 0.00 0.00 -1.51 0.00 0.00 179.97 179.23 3iss n ALA 408 N -2.35 1.40 0.34 2.80 0.00 -0.67 -0.40 120.51 121.63 3iss n ALA 408 Ca 0.03 -0.02 0.06 0.00 0.00 0.00 0.00 53.44 53.51 3iss n ALA 408 Cb 0.16 -1.06 0.08 0.00 0.00 0.00 0.00 19.45 18.63 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 -1.25 2.27 0.00 0.00 4.77 -0.36 -4.69 117.00 117.74 3iss n LEU 409 Ca 0.02 -1.25 0.00 0.00 -0.03 0.00 0.00 56.01 54.75 3iss n LEU 409 Cb 0.03 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 3iss n LEU 409 CO 0.03 0.47 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 3iss n GLY 410 N 0.68 1.00 3.76 -0.72 0.00 0.47 -1.46 105.19 108.91 3iss n GLY 410 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 3iss n GLY 410 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iss s ALA 411 N -2.00 3.42 -0.77 4.61 0.00 -0.63 -4.79 121.76 121.60 3iss s ALA 411 Ca 0.00 0.93 -0.17 0.00 0.00 0.00 0.00 51.96 52.72 3iss s ALA 411 Cb 0.00 -3.35 0.15 0.00 0.00 0.00 0.00 23.12 19.92 3iss s ALA 411 CO 0.00 -0.23 0.86 1.21 0.00 0.00 0.00 175.76 177.60 3iss s ASN 412 N -0.69 6.50 -0.00 0.00 3.84 -1.26 -4.38 114.94 118.95 3iss s ASN 412 Ca 0.46 -2.00 0.01 0.00 0.21 0.00 0.00 52.86 51.53 3iss s ASN 412 Cb -0.33 -2.31 0.00 0.00 -0.55 0.00 0.00 41.25 38.07 3iss s ASN 412 CO 0.41 -0.94 -0.02 -0.51 -2.79 0.00 0.00 177.10 173.26 3iss s ILE 413 N 1.94 0.15 0.00 -5.21 2.07 -1.26 -0.76 121.20 118.13 3iss s ILE 413 Ca 0.20 -0.07 0.00 0.00 -1.41 0.00 0.00 60.65 59.37 3iss s ILE 413 Cb -0.14 -0.14 -0.00 0.00 0.13 0.00 0.00 42.46 42.31 3iss s ILE 413 CO -0.03 0.05 -0.02 -0.70 -1.91 0.00 0.00 174.94 172.33 3iss s GLU 414 N 0.01 0.13 -0.40 3.50 2.12 0.10 -4.99 118.70 119.17 3iss s GLU 414 Ca 0.00 -0.12 -0.14 0.00 0.36 0.00 0.00 54.97 55.06 3iss s GLU 414 Cb -0.01 -0.08 0.01 0.00 0.26 0.00 0.00 34.13 34.31 3iss s GLU 414 CO -0.00 0.02 0.29 0.50 -0.54 0.00 0.00 175.26 175.52 3iss s ARG 415 N -0.23 3.06 0.28 4.30 3.52 -1.26 -0.38 118.95 128.24 3iss s ARG 415 Ca -0.02 -0.95 0.08 0.00 -0.13 0.00 0.00 55.73 54.72 3iss s ARG 415 Cb -0.02 -3.94 -0.04 0.00 -1.56 0.00 0.00 34.95 29.39 3iss s ARG 415 CO -0.00 -0.69 0.09 0.14 -0.81 0.00 0.00 175.30 174.03 3iss s VAL 416 N 1.68 3.70 -0.45 7.11 -7.23 -0.48 -4.94 120.40 119.79 3iss s VAL 416 Ca 0.05 -1.70 0.03 0.00 -1.81 0.00 0.00 61.98 58.56 3iss s VAL 416 Cb -0.19 -3.05 0.45 0.00 0.56 0.00 0.00 36.38 34.15 3iss s VAL 416 CO 0.10 -0.33 1.52 0.29 -0.31 0.00 0.00 175.10 176.37 3iss n LYS 417 N -1.04 3.25 0.00 4.82 4.76 -1.26 -1.46 118.16 127.22 3iss n LYS 417 Ca -0.06 -3.84 0.00 0.00 -2.87 0.00 0.00 58.31 51.54 3iss n LYS 417 Cb 0.59 -2.28 0.00 0.00 -1.84 0.00 0.00 35.03 31.50 3iss n LYS 417 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44