#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 6.80 0.05 7.83 1.01 -1.26 -3.73 116.67 127.37 3iss s ASP 2 Ca 0.00 1.99 0.02 0.00 0.71 0.00 0.00 52.55 55.26 3iss s ASP 2 Cb 0.00 -2.58 -0.03 0.00 1.01 0.00 0.00 42.92 41.32 3iss s ASP 2 CO 0.00 -0.46 -0.07 -0.54 0.21 0.00 0.00 175.17 174.31 3iss s LYS 3 N -2.55 0.57 -0.26 8.23 1.02 -0.60 -3.46 119.74 122.70 3iss s LYS 3 Ca 0.58 -0.90 -0.12 0.00 0.02 0.00 0.00 55.97 55.56 3iss s LYS 3 Cb -0.20 -0.18 -0.05 0.00 -0.52 0.00 0.00 37.83 36.87 3iss s LYS 3 CO 0.26 0.01 0.23 -0.06 -0.92 0.00 0.00 175.35 174.86 3iss s PHE 4 N -2.05 3.27 -0.21 3.18 0.08 -0.64 -0.99 117.98 120.62 3iss s PHE 4 Ca -0.05 0.24 -0.13 0.00 0.12 0.00 0.00 56.93 57.11 3iss s PHE 4 Cb -0.05 -2.38 -0.04 0.00 -0.57 0.00 0.00 43.02 39.97 3iss s PHE 4 CO -0.02 -0.08 0.27 0.50 -0.10 0.00 0.00 175.22 175.79 3iss s ARG 5 N 1.54 4.15 -0.02 0.44 3.52 0.74 -1.12 118.95 128.19 3iss s ARG 5 Ca 0.09 -0.02 0.06 0.00 -0.13 0.00 0.00 55.73 55.74 3iss s ARG 5 Cb -0.15 -3.51 -0.01 0.00 -1.56 0.00 0.00 34.95 29.71 3iss s ARG 5 CO 0.08 0.06 -0.22 0.08 -0.81 0.00 0.00 175.30 174.50 3iss s VAL 6 N 1.03 1.74 -0.12 7.11 1.01 0.72 -1.03 120.40 130.86 3iss s VAL 6 Ca 0.14 -0.93 0.02 0.00 0.00 0.00 0.00 61.98 61.20 3iss s VAL 6 Cb -0.14 -1.46 -0.00 0.00 0.00 0.00 0.00 36.38 34.79 3iss s VAL 6 CO 0.05 0.49 -0.20 -1.10 0.00 0.00 0.00 175.10 174.35 3iss s GLN 7 N -0.42 3.13 0.29 2.72 -1.52 0.07 -0.98 119.66 122.95 3iss s GLN 7 Ca 0.06 -0.82 0.02 0.00 -1.95 0.00 0.00 55.36 52.67 3iss s GLN 7 Cb -0.09 -2.44 -0.01 0.00 -0.22 0.00 0.00 33.01 30.25 3iss s GLN 7 CO -0.00 0.11 0.33 0.41 -0.25 0.00 0.00 175.29 175.90 3iss n GLY 8 N 3.74 2.63 3.82 3.09 0.00 -0.03 -4.14 105.19 114.30 3iss n GLY 8 Ca -0.19 -1.70 -0.31 0.00 0.00 0.00 0.00 46.02 43.82 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 -2.86 3.01 -0.18 1.61 0.04 -0.77 -0.96 135.00 134.88 3iss s PRO 9 Ca 0.28 0.95 -0.15 0.00 0.04 0.00 0.00 61.00 62.12 3iss s PRO 9 Cb 0.00 -2.00 0.05 0.00 0.04 0.00 0.00 34.50 32.59 3iss s PRO 9 CO 0.20 -1.04 0.48 -0.08 0.04 0.00 0.00 177.00 176.59 3iss s THR 10 N -3.03 -0.00 -0.32 1.26 -1.32 -0.55 -4.99 115.64 106.69 3iss s THR 10 Ca 0.58 0.02 -0.14 0.00 -1.21 0.00 0.00 61.69 60.93 3iss s THR 10 Cb -0.14 -0.67 -0.02 0.00 -1.51 0.00 0.00 72.50 70.16 3iss s THR 10 CO 0.54 0.01 0.32 -0.75 -2.21 0.00 0.00 174.62 172.53 3iss s LYS 11 N 0.53 3.67 -0.32 7.08 2.20 -1.26 -4.57 119.74 127.06 3iss s LYS 11 Ca -0.02 -0.38 -0.24 0.00 -0.36 0.00 0.00 55.97 54.97 3iss s LYS 11 Cb -0.04 -3.77 0.01 0.00 -1.51 0.00 0.00 37.83 32.52 3iss s LYS 11 CO -0.03 -0.43 0.85 -0.51 -0.36 0.00 0.00 175.35 174.87 3iss s LEU 12 N 1.94 4.06 0.07 5.43 1.43 -1.26 -4.71 118.68 125.64 3iss s LEU 12 Ca 0.11 0.67 -0.13 0.00 -1.03 0.00 0.00 54.13 53.75 3iss s LEU 12 Cb -0.16 -3.16 0.02 0.00 0.03 0.00 0.00 46.19 42.91 3iss s LEU 12 CO 0.11 -0.70 0.29 0.00 0.23 0.00 0.00 176.35 176.28 3iss s GLN 13 N 3.14 0.86 0.00 1.70 -2.07 -0.47 -3.60 119.66 119.21 3iss s GLN 13 Ca 0.35 -0.65 0.00 0.00 -1.82 0.00 0.00 55.36 53.24 3iss s GLN 13 Cb -0.13 0.37 0.00 0.00 -1.09 0.00 0.00 33.01 32.15 3iss s GLN 13 CO 0.14 -0.29 0.00 0.41 -1.32 0.00 0.00 175.29 174.24 3iss n GLY 14 N 0.30 0.34 3.21 2.60 0.00 -0.78 -4.44 105.19 106.43 3iss n GLY 14 Ca -0.17 -1.62 -0.12 0.00 0.00 0.00 0.00 46.02 44.10 3iss n GLY 14 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3iss s GLU 15 N -1.10 1.15 -0.04 1.61 -1.05 -1.26 -1.67 118.70 116.34 3iss s GLU 15 Ca 0.00 -1.59 -0.12 0.00 -0.15 0.00 0.00 54.97 53.11 3iss s GLU 15 Cb 0.00 0.08 0.02 0.00 -0.44 0.00 0.00 34.13 33.79 3iss s GLU 15 CO 0.00 -0.30 0.27 0.54 0.95 0.00 0.00 175.26 176.72 3iss s VAL 16 N -3.98 0.04 -0.24 1.83 0.11 -0.25 -4.83 120.40 113.08 3iss s VAL 16 Ca 0.32 -0.36 -0.10 0.00 -2.93 0.00 0.00 61.98 58.91 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 -0.20 0.15 -0.89 -3.33 0.00 0.00 175.10 170.91 3iss s THR 17 N -0.85 5.20 0.06 5.04 2.01 -1.26 -0.44 115.64 125.39 3iss s THR 17 Ca -0.09 0.12 -0.30 0.00 0.31 0.00 0.00 61.69 61.73 3iss s THR 17 Cb -0.05 -3.43 -0.05 0.00 0.01 0.00 0.00 72.50 68.99 3iss s THR 17 CO 0.02 0.34 1.12 -0.63 -0.69 0.00 0.00 174.62 174.78 3iss s ILE 18 N 1.19 4.27 0.82 1.82 -1.09 0.13 -4.94 121.20 123.40 3iss s ILE 18 Ca 0.07 1.66 -0.12 0.00 -2.23 0.00 0.00 60.65 60.03 3iss s ILE 18 Cb -0.14 -4.07 0.09 0.00 -1.58 0.00 0.00 42.46 36.76 3iss s ILE 18 CO 0.05 0.15 1.14 -0.44 -1.23 0.00 0.00 174.94 174.61 3iss s SER 19 N 0.91 4.34 0.63 3.58 0.01 -1.26 -4.83 113.70 117.08 3iss s SER 19 Ca 0.56 0.98 -0.18 0.00 1.31 0.00 0.00 55.95 58.62 3iss s SER 19 Cb -0.27 -1.59 -0.02 0.00 0.21 0.00 0.00 66.02 64.35 3iss s SER 19 CO 0.29 -2.03 1.20 -0.83 0.41 0.00 0.00 173.24 172.28 3iss s GLY 20 N -4.26 2.60 -0.17 3.44 0.00 -1.23 -1.87 107.32 105.84 3iss s GLY 20 Ca 0.62 0.94 -0.29 0.00 0.00 0.00 0.00 44.72 45.99 3iss s GLY 20 CO 0.52 1.33 1.83 0.00 0.00 0.00 0.00 173.10 176.77 3iss s ALA 21 N -1.75 3.21 0.26 3.20 0.00 0.30 -4.31 121.76 122.66 3iss s ALA 21 Ca 0.76 0.71 -0.01 0.00 0.00 0.00 0.00 51.96 53.42 3iss s ALA 21 Cb -0.29 -3.90 0.56 0.00 0.00 0.00 0.00 23.12 19.49 3iss s ALA 21 CO 0.37 -2.07 1.70 -0.22 0.00 0.00 0.00 175.76 175.54 3iss h LYS 22 N 11.71 0.37 -0.14 0.00 3.64 -1.90 -0.27 116.57 129.97 3iss h LYS 22 Ca -0.39 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.97 3iss h LYS 22 Cb 1.19 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.93 3iss h LYS 22 CO 0.98 0.24 0.00 0.09 -2.27 0.00 0.00 179.45 178.49 3iss n ASN 23 N -5.06 1.08 -0.13 4.20 3.02 -1.26 -2.01 115.26 115.10 3iss n ASN 23 Ca 0.17 -1.72 -0.23 0.00 -0.03 0.00 0.00 54.58 52.77 3iss n ASN 23 Cb 0.52 -0.09 -0.10 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 -0.02 1.39 -0.17 5.41 0.00 -0.54 -4.42 120.51 122.14 3iss n ALA 24 Ca 0.13 -1.04 -0.04 0.00 0.00 0.00 0.00 53.44 52.49 3iss n ALA 24 Cb 0.22 0.06 0.03 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 -0.51 0.17 0.23 0.00 0.00 -1.02 -2.27 119.26 115.86 3iss h ALA 25 Ca -0.61 0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.48 3iss h ALA 25 Cb 1.70 0.57 -0.01 0.00 0.00 0.00 0.00 17.79 20.05 3iss h ALA 25 CO -0.26 -0.55 -0.20 -0.07 0.00 0.00 0.00 179.25 178.17 3iss h LEU 26 N -0.10 -0.53 -1.64 0.00 4.07 -1.65 0.07 115.31 115.54 3iss h LEU 26 Ca 0.25 0.05 -0.04 0.00 0.08 0.00 0.00 57.88 58.22 3iss h LEU 26 Cb 0.48 0.18 -0.01 0.00 1.08 0.00 0.00 40.66 42.40 3iss h LEU 26 CO -0.60 -0.31 -0.16 -0.65 -1.08 0.00 0.00 178.44 175.65 3iss h PRO 27 N -0.45 0.03 -0.07 1.13 0.11 -1.76 -2.75 132.00 128.25 3iss h PRO 27 Ca -0.01 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 66.03 3iss h PRO 27 Cb 0.41 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.52 3iss h PRO 27 CO -0.03 0.19 -0.19 0.82 -0.21 0.00 0.00 178.00 178.58 3iss h ILE 28 N 0.03 1.43 -0.93 4.15 2.04 -0.86 -0.81 117.51 122.56 3iss h ILE 28 Ca 0.01 -1.56 0.18 0.00 1.00 0.00 0.00 64.86 64.48 3iss h ILE 28 Cb 0.30 2.28 -0.08 0.00 -0.74 0.00 0.00 36.82 38.58 3iss h ILE 28 CO 0.02 0.44 0.60 -0.07 0.00 0.00 0.00 178.15 179.14 3iss h LEU 29 N -0.26 0.60 0.00 1.44 4.07 -0.89 0.57 115.31 120.84 3iss h LEU 29 Ca -0.01 0.06 -0.13 0.00 0.08 0.00 0.00 57.88 57.88 3iss h LEU 29 Cb 0.81 -0.06 -0.02 0.00 1.08 0.00 0.00 40.66 42.47 3iss h LEU 29 CO 0.04 0.26 -0.65 -0.26 -1.08 0.00 0.00 178.44 176.75 3iss h PHE 30 N 0.61 0.00 0.00 1.13 0.04 -1.32 -3.13 116.94 114.28 3iss h PHE 30 Ca 0.49 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 61.20 3iss h PHE 30 Cb 0.94 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.08 3iss h PHE 30 CO -0.00 0.61 -0.29 0.00 -0.60 0.00 0.00 178.31 178.03 3iss h ALA 31 N 1.39 1.00 -0.04 2.45 0.00 0.55 -2.69 119.26 121.93 3iss h ALA 31 Ca -0.01 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.64 3iss h ALA 31 Cb 1.48 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.22 3iss h ALA 31 CO 0.08 0.36 0.07 0.00 0.00 0.00 0.00 179.25 179.76 3iss h ALA 32 N 1.71 1.41 0.00 0.00 0.00 -1.06 -0.98 119.26 120.35 3iss h ALA 32 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3iss h ALA 32 Cb 0.82 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.62 3iss h ALA 32 CO 0.04 -0.09 0.00 -0.07 0.00 0.00 0.00 179.25 179.13 3iss h LEU 33 N 0.00 0.00 0.00 0.00 3.38 -1.64 0.56 115.31 117.61 3iss h LEU 33 Ca 0.02 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 3iss h LEU 33 Cb 0.15 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3iss h LEU 33 CO -0.00 0.00 -0.53 -0.07 0.09 0.00 0.00 178.44 177.93 3iss h LEU 34 N 0.00 0.00 -9.74 1.67 3.38 -1.40 -3.47 115.31 105.75 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 0.08 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.84 3iss h LEU 34 CO 0.00 0.29 0.47 0.00 0.09 0.00 0.00 178.44 179.29 3iss s ALA 35 N -3.09 3.39 -0.48 1.53 0.00 0.19 -4.38 121.76 118.91 3iss s ALA 35 Ca 0.03 0.84 0.22 0.00 0.00 0.00 0.00 51.96 53.05 3iss s ALA 35 Cb 0.07 -3.33 -0.27 0.00 0.00 0.00 0.00 23.12 19.59 3iss s ALA 35 CO 0.74 -0.15 0.69 0.39 0.00 0.00 0.00 175.76 177.42 3iss n GLU 36 N 1.71 0.35 -3.07 0.00 1.02 0.27 -4.37 120.64 116.56 3iss n GLU 36 Ca 0.00 -0.10 -0.19 0.00 -0.02 0.00 0.00 57.16 56.86 3iss n GLU 36 Cb 0.45 -1.52 0.03 0.00 -0.02 0.00 0.00 31.44 30.39 3iss n GLU 36 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 3iss s GLU 37 N -3.28 2.55 0.65 3.49 2.12 -1.22 -4.59 118.70 118.43 3iss s GLU 37 Ca -0.00 -1.46 -0.09 0.00 0.36 0.00 0.00 54.97 53.77 3iss s GLU 37 Cb 0.15 -2.67 0.15 0.00 0.26 0.00 0.00 34.13 32.01 3iss s GLU 37 CO 0.89 -0.56 0.33 -2.30 -0.54 0.00 0.00 175.26 173.08 3iss n PRO 38 N -2.02 -1.87 0.00 4.30 -0.02 -1.26 -4.49 135.00 129.63 3iss n PRO 38 Ca 0.11 -0.55 0.00 0.00 -2.02 0.00 0.00 63.50 61.04 3iss n PRO 38 Cb 0.60 -0.89 0.00 0.00 -0.02 0.00 0.00 33.50 33.19 3iss n PRO 38 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 3iss n VAL 39 N -3.95 0.00 -3.61 -1.45 3.14 -1.19 -3.18 118.33 108.09 3iss n VAL 39 Ca 0.05 0.00 -0.08 0.00 -2.96 0.00 0.00 64.34 61.36 3iss n VAL 39 Cb 0.23 0.00 -0.09 0.00 -1.06 0.00 0.00 33.84 32.92 3iss n VAL 39 CO 0.00 0.00 0.00 -0.70 -6.46 0.00 0.00 176.83 169.67 3iss s GLU 40 N -2.00 0.35 -0.26 1.45 2.12 -0.00 -3.11 118.70 117.25 3iss s GLU 40 Ca 0.00 1.02 -0.10 0.00 0.36 0.00 0.00 54.97 56.25 3iss s GLU 40 Cb 0.00 0.30 -0.05 0.00 0.26 0.00 0.00 34.13 34.64 3iss s GLU 40 CO 0.00 -0.30 0.15 0.42 -0.54 0.00 0.00 175.26 175.00 3iss s ILE 41 N 2.64 5.12 0.19 -3.70 1.09 -0.20 -1.63 121.20 124.72 3iss s ILE 41 Ca 0.00 0.10 0.04 0.00 -1.10 0.00 0.00 60.65 59.69 3iss s ILE 41 Cb -0.12 -3.41 -0.03 0.00 -1.06 0.00 0.00 42.46 37.83 3iss s ILE 41 CO -0.14 0.30 0.32 -1.10 -0.10 0.00 0.00 174.94 174.22 3iss s GLN 42 N 1.46 3.44 -1.10 2.79 -0.21 0.11 0.63 119.66 126.77 3iss s GLN 42 Ca 0.07 -0.67 -0.07 0.00 0.02 0.00 0.00 55.36 54.71 3iss s GLN 42 Cb -0.15 -2.93 0.01 0.00 1.00 0.00 0.00 33.01 30.94 3iss s GLN 42 CO 0.07 0.48 0.96 -1.71 -2.12 0.00 0.00 175.29 172.97 3iss n ASN 43 N -0.93 -5.33 -4.69 5.90 5.15 -0.98 -1.76 115.26 112.62 3iss n ASN 43 Ca -0.08 -0.45 -0.39 0.00 -0.60 0.00 0.00 54.58 53.06 3iss n ASN 43 Cb 0.55 -4.22 -0.06 0.00 -0.53 0.00 0.00 39.78 35.53 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 -3.26 5.09 0.52 3.44 1.01 -0.83 -3.48 120.40 122.89 3iss s VAL 44 Ca 0.45 1.14 -0.21 0.00 0.00 0.00 0.00 61.98 63.36 3iss s VAL 44 Cb -0.20 -3.91 -0.06 0.00 0.00 0.00 0.00 36.38 32.21 3iss s VAL 44 CO 0.60 0.22 1.22 -2.16 0.00 0.00 0.00 175.10 174.97 3iss s PRO 45 N 1.21 3.36 -0.92 2.72 0.04 -1.26 -4.80 135.00 135.35 3iss s PRO 45 Ca 0.29 1.88 -0.20 0.00 0.04 0.00 0.00 61.00 63.01 3iss s PRO 45 Cb -0.16 -2.20 0.10 0.00 0.04 0.00 0.00 34.50 32.28 3iss s PRO 45 CO 0.12 -0.91 1.19 0.15 0.04 0.00 0.00 177.00 177.59 3iss s LYS 46 N -2.98 3.54 0.08 4.56 1.02 -1.26 -4.85 119.74 119.85 3iss s LYS 46 Ca 0.70 -1.48 0.05 0.00 0.02 0.00 0.00 55.97 55.27 3iss s LYS 46 Cb -0.31 -4.94 -0.03 0.00 -0.52 0.00 0.00 37.83 32.03 3iss s LYS 46 CO 0.36 -1.89 -0.14 -0.51 -0.92 0.00 0.00 175.35 172.25 3iss s LEU 47 N 3.44 2.31 0.43 3.17 1.43 -1.26 -4.46 118.68 123.74 3iss s LEU 47 Ca 0.35 -0.66 0.10 0.00 -1.03 0.00 0.00 54.13 52.88 3iss s LEU 47 Cb -0.05 -0.54 0.95 0.00 0.03 0.00 0.00 46.19 46.58 3iss s LEU 47 CO -0.07 -0.09 2.05 0.50 0.23 0.00 0.00 176.35 178.98 3iss h LYS 48 N 4.12 0.35 -0.02 1.70 1.63 -1.61 -1.76 116.57 120.98 3iss h LYS 48 Ca -0.41 -0.03 -0.05 0.00 -0.85 0.00 0.00 60.65 59.31 3iss h LYS 48 Cb 1.19 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 32.74 3iss h LYS 48 CO 0.42 0.27 -0.21 -0.44 -3.45 0.00 0.00 179.45 176.05 3iss h ASP 49 N 0.35 0.02 -0.08 4.20 5.19 -1.82 -0.60 116.42 123.68 3iss h ASP 49 Ca 0.09 -0.00 -0.12 0.00 -0.62 0.00 0.00 57.03 56.37 3iss h ASP 49 Cb 0.04 -0.01 0.01 0.00 0.18 0.00 0.00 39.33 39.55 3iss h ASP 49 CO -0.01 0.23 -0.43 0.58 -3.12 0.00 0.00 179.24 176.49 3iss h VAL 50 N 0.02 1.39 -0.30 -1.35 2.07 -1.65 -2.62 116.25 113.81 3iss h VAL 50 Ca 0.00 -1.80 0.07 0.00 0.82 0.00 0.00 66.70 65.79 3iss h VAL 50 Cb 0.38 2.27 -0.07 0.00 -1.52 0.00 0.00 31.29 32.35 3iss h VAL 50 CO 0.03 0.53 -0.19 0.44 0.02 0.00 0.00 177.57 178.40 3iss h ASP 51 N -0.00 -0.62 -0.92 0.57 3.32 -1.05 -0.07 116.42 117.64 3iss h ASP 51 Ca -0.03 0.13 0.05 0.00 0.02 0.00 0.00 57.03 57.20 3iss h ASP 51 Cb 1.08 0.32 -0.06 0.00 0.22 0.00 0.00 39.33 40.89 3iss h ASP 51 CO 0.09 -0.22 0.59 0.74 -1.72 0.00 0.00 179.24 178.72 3iss h THR 52 N -0.15 1.10 -0.18 0.35 2.02 -1.17 0.80 112.91 115.68 3iss h THR 52 Ca 0.16 -0.38 -0.01 0.00 0.77 0.00 0.00 66.41 66.95 3iss h THR 52 Cb 0.40 -0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 66.70 3iss h THR 52 CO -0.40 0.20 0.09 0.28 0.37 0.00 0.00 175.52 176.07 3iss h SER 53 N 1.10 0.23 -0.38 4.18 0.02 -0.99 -1.39 113.55 116.32 3iss h SER 53 Ca 0.39 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.24 3iss h SER 53 Cb 0.10 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.56 3iss h SER 53 CO -0.15 0.27 0.25 0.24 -1.14 0.00 0.00 176.83 176.29 3iss h MET 54 N 0.18 0.50 -0.84 3.45 2.07 -0.41 0.32 114.93 120.19 3iss h MET 54 Ca 0.06 -0.03 0.12 0.00 -2.07 0.00 0.00 59.70 57.78 3iss h MET 54 Cb 0.09 -0.11 -0.08 0.00 -1.87 0.00 0.00 31.60 29.63 3iss h MET 54 CO -0.01 0.34 0.46 -0.22 1.07 0.00 0.00 176.91 178.56 3iss h LYS 55 N 0.51 0.69 -0.10 1.72 1.63 -0.65 0.75 116.57 121.12 3iss h LYS 55 Ca 0.14 -0.04 -0.04 0.00 -0.85 0.00 0.00 60.65 59.85 3iss h LYS 55 Cb -0.04 -0.16 -0.00 0.00 -0.60 0.00 0.00 32.23 31.43 3iss h LYS 55 CO -0.03 0.46 -0.10 1.25 -3.45 0.00 0.00 179.45 177.58 3iss h LEU 56 N 0.71 0.27 -0.08 5.20 5.85 -0.41 -1.84 115.31 125.00 3iss h LEU 56 Ca 0.44 -0.49 0.04 0.00 0.84 0.00 0.00 57.88 58.71 3iss h LEU 56 Cb 0.52 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.43 3iss h LEU 56 CO -0.31 0.70 -0.21 -0.07 -0.34 0.00 0.00 178.44 178.22 3iss h LEU 57 N -0.16 -0.62 -0.53 2.25 4.07 -0.31 -1.21 115.31 118.79 3iss h LEU 57 Ca 0.02 0.10 0.09 0.00 0.08 0.00 0.00 57.88 58.17 3iss h LEU 57 Cb 0.62 0.28 -0.07 0.00 1.08 0.00 0.00 40.66 42.57 3iss h LEU 57 CO 0.03 -0.26 0.13 -1.28 -1.08 0.00 0.00 178.44 175.97 3iss h SER 58 N -0.28 0.05 -0.18 -0.43 0.87 -0.87 0.92 113.55 113.63 3iss h SER 58 Ca 0.09 0.09 0.05 0.00 -1.23 0.00 0.00 61.79 60.79 3iss h SER 58 Cb 0.41 0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.47 3iss h SER 58 CO -0.25 0.05 0.13 -0.61 -0.53 0.00 0.00 176.83 175.62 3iss h GLN 59 N 0.27 0.00 -0.00 2.24 4.15 -0.43 0.28 115.11 121.63 3iss h GLN 59 Ca 0.27 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.69 3iss h GLN 59 Cb 0.36 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.05 3iss h GLN 59 CO -0.33 0.00 -0.02 1.28 -1.93 0.00 0.00 178.83 177.83 3iss n LEU 60 N -4.41 0.02 -0.52 -2.39 4.77 0.29 -4.80 117.00 109.96 3iss n LEU 60 Ca 0.01 0.45 0.00 0.00 -0.03 0.00 0.00 56.01 56.44 3iss n LEU 60 Cb 0.27 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 3iss n LEU 60 CO 0.34 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 3iss n GLY 61 N 1.47 0.91 3.33 -0.72 0.00 1.00 -2.20 105.19 108.99 3iss n GLY 61 Ca 0.08 -0.64 -0.17 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.34 1.86 -0.10 4.61 0.00 -1.08 -0.93 121.76 123.77 3iss s ALA 62 Ca 0.00 -1.71 0.01 0.00 0.00 0.00 0.00 51.96 50.26 3iss s ALA 62 Cb 0.00 0.22 -0.02 0.00 0.00 0.00 0.00 23.12 23.33 3iss s ALA 62 CO 0.00 -0.12 -0.13 0.15 0.00 0.00 0.00 175.76 175.65 3iss s LYS 63 N -3.77 3.08 -0.14 0.00 1.02 0.43 -4.29 119.74 116.07 3iss s LYS 63 Ca 0.25 -0.68 -0.09 0.00 0.02 0.00 0.00 55.97 55.47 3iss s LYS 63 Cb 0.03 -2.55 0.05 0.00 -0.52 0.00 0.00 37.83 34.84 3iss s LYS 63 CO 0.07 0.37 0.34 0.08 -0.92 0.00 0.00 175.35 175.28 3iss s VAL 64 N -0.05 -0.02 0.16 3.17 1.01 -1.25 0.90 120.40 124.33 3iss s VAL 64 Ca -0.03 0.08 -0.11 0.00 0.00 0.00 0.00 61.98 61.93 3iss s VAL 64 Cb -0.14 -0.50 0.00 0.00 0.00 0.00 0.00 36.38 35.75 3iss s VAL 64 CO 0.04 0.03 0.34 -1.83 0.00 0.00 0.00 175.10 173.68 3iss s GLU 65 N 1.01 1.19 0.20 2.72 -1.05 -0.36 -4.98 118.70 117.43 3iss s GLU 65 Ca -0.07 -1.06 -0.23 0.00 -0.15 0.00 0.00 54.97 53.46 3iss s GLU 65 Cb -0.07 0.41 0.05 0.00 -0.44 0.00 0.00 34.13 34.08 3iss s GLU 65 CO -0.08 -0.45 0.79 -0.98 0.95 0.00 0.00 175.26 175.49 3iss s ARG 66 N -3.93 1.45 0.00 -4.83 1.70 -1.26 0.78 118.95 112.86 3iss s ARG 66 Ca 0.14 -0.75 0.00 0.00 -0.47 0.00 0.00 55.73 54.64 3iss s ARG 66 Cb 0.02 0.53 0.00 0.00 -0.57 0.00 0.00 34.95 34.93 3iss s ARG 66 CO -0.02 -0.66 0.00 -0.25 -1.08 0.00 0.00 175.30 173.29 3iss n ASP 67 N -0.43 0.00 -0.00 -2.89 9.92 -1.26 -4.98 116.55 116.91 3iss n ASP 67 Ca -0.07 0.00 0.08 0.00 -0.53 0.00 0.00 54.79 54.27 3iss n ASP 67 Cb 0.61 0.00 -0.11 0.00 -0.64 0.00 0.00 41.12 40.98 3iss n ASP 67 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3iss n GLY 68 N 0.00 -0.61 3.57 0.44 0.00 -1.26 -5.17 105.19 102.16 3iss n GLY 68 Ca 0.00 -0.40 -0.26 0.00 0.00 0.00 0.00 46.02 45.36 3iss n GLY 68 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3iss s SER 69 N -3.26 3.41 -0.06 1.61 1.04 -1.26 -1.97 113.70 113.21 3iss s SER 69 Ca -0.01 -1.37 0.01 0.00 0.48 0.00 0.00 55.95 55.06 3iss s SER 69 Cb 0.11 -0.30 0.02 0.00 0.10 0.00 0.00 66.02 65.95 3iss s SER 69 CO 0.64 -0.49 -0.06 -0.69 0.98 0.00 0.00 173.24 173.62 3iss s VAL 70 N -2.89 0.72 -0.21 5.02 1.01 0.20 -4.45 120.40 119.80 3iss s VAL 70 Ca 0.35 -0.19 -0.08 0.00 0.00 0.00 0.00 61.98 62.06 3iss s VAL 70 Cb 0.09 -0.74 -0.04 0.00 0.00 0.00 0.00 36.38 35.70 3iss s VAL 70 CO 0.17 0.28 0.08 -1.00 0.00 0.00 0.00 175.10 174.63 3iss s HIS 71 N 1.12 3.21 -0.10 5.22 3.76 0.23 -1.03 115.29 127.72 3iss s HIS 71 Ca -0.07 -0.02 0.01 0.00 -0.15 0.00 0.00 55.06 54.83 3iss s HIS 71 Cb -0.14 -2.16 0.02 0.00 1.11 0.00 0.00 32.58 31.41 3iss s HIS 71 CO -0.01 0.00 -0.12 0.42 -0.85 0.00 0.00 174.74 174.19 3iss s ILE 72 N 0.82 1.24 -0.34 0.60 1.01 -1.18 -1.23 121.20 122.13 3iss s ILE 72 Ca 0.04 -0.48 -0.01 0.00 0.00 0.00 0.00 60.65 60.20 3iss s ILE 72 Cb -0.13 -1.16 0.07 0.00 0.01 0.00 0.00 42.46 41.25 3iss s ILE 72 CO 0.02 0.39 0.06 -0.62 0.00 0.00 0.00 174.94 174.79 3iss s ASP 73 N 1.10 4.96 -0.24 3.58 -1.08 0.26 -3.17 116.67 122.08 3iss s ASP 73 Ca -0.06 -1.61 0.14 0.00 -0.52 0.00 0.00 52.55 50.50 3iss s ASP 73 Cb -0.14 -1.73 0.65 0.00 -1.46 0.00 0.00 42.92 40.23 3iss s ASP 73 CO -0.02 -0.36 1.59 0.00 0.52 0.00 0.00 175.17 176.91 3iss n ALA 74 N 4.56 3.70 -0.12 3.66 0.00 -1.26 -0.43 120.51 130.62 3iss n ALA 74 Ca -0.08 -2.32 -0.13 0.00 0.00 0.00 0.00 53.44 50.92 3iss n ALA 74 Cb 0.42 -0.94 -0.03 0.00 0.00 0.00 0.00 19.45 18.91 3iss n ALA 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iss h ARG 75 N 2.43 0.86 -0.74 0.00 3.08 -1.81 -3.27 114.38 114.93 3iss h ARG 75 Ca 0.08 -0.43 -0.07 0.00 0.07 0.00 0.00 59.98 59.63 3iss h ARG 75 Cb 1.80 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.81 3iss h ARG 75 CO 0.42 1.07 0.09 -0.25 -1.07 0.00 0.00 179.97 180.24 3iss n ASP 76 N -4.16 4.48 -4.70 7.04 8.00 -1.26 -4.93 116.55 121.02 3iss n ASP 76 Ca -0.02 -2.81 -0.42 0.00 0.71 0.00 0.00 54.79 52.24 3iss n ASP 76 Cb 0.49 -0.67 -0.03 0.00 -0.02 0.00 0.00 41.12 40.90 3iss n ASP 76 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3iss n VAL 77 N 0.26 0.28 -0.80 2.53 0.31 -0.10 -4.73 118.33 116.08 3iss n VAL 77 Ca 0.26 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.54 3iss n VAL 77 Cb 1.06 -2.09 0.00 0.00 -0.91 0.00 0.00 33.84 31.90 3iss n VAL 77 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 3iss n ASN 78 N 5.23 0.00 -4.32 4.52 6.94 -0.94 -5.01 115.26 121.68 3iss n ASN 78 Ca 0.18 -0.70 -0.28 0.00 -0.02 0.00 0.00 54.58 53.75 3iss n ASN 78 Cb 0.37 0.00 -0.14 0.00 -2.36 0.00 0.00 39.78 37.64 3iss n ASN 78 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 3iss s VAL 79 N 0.00 1.98 -0.13 3.53 0.11 -0.93 -5.06 120.40 119.90 3iss s VAL 79 Ca 0.00 -1.37 0.16 0.00 -2.93 0.00 0.00 61.98 57.84 3iss s VAL 79 Cb 0.00 -1.71 0.39 0.00 -1.53 0.00 0.00 36.38 33.53 3iss s VAL 79 CO 0.00 0.27 1.19 0.49 -3.33 0.00 0.00 175.10 173.72 3iss n PHE 80 N 1.69 0.00 -4.54 1.54 3.72 -1.26 -4.67 117.46 113.94 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 0.53 -0.20 -0.16 0.00 -0.94 0.00 0.00 39.48 38.70 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 0.67 3.52 0.53 0.00 0.00 0.33 -4.90 121.76 121.91 3iss s ALA 82 Ca -0.14 -1.97 -0.18 0.00 0.00 0.00 0.00 51.96 49.67 3iss s ALA 82 Cb -0.15 -3.06 -0.06 0.00 0.00 0.00 0.00 23.12 19.84 3iss s ALA 82 CO 0.03 -1.70 1.04 -1.25 0.00 0.00 0.00 175.76 173.89 3iss s PRO 83 N 1.77 3.59 0.29 0.00 0.04 -1.26 -2.39 135.00 137.03 3iss s PRO 83 Ca 0.06 1.27 -0.06 0.00 0.04 0.00 0.00 61.00 62.31 3iss s PRO 83 Cb -0.22 -2.07 0.53 0.00 0.04 0.00 0.00 34.50 32.78 3iss s PRO 83 CO 0.08 -0.59 1.56 -0.92 0.04 0.00 0.00 177.00 177.17 3iss h TYR 84 N 1.03 -0.40 -0.60 0.56 3.20 -1.97 -1.37 116.97 117.42 3iss h TYR 84 Ca -0.48 0.08 0.11 0.00 3.14 0.00 0.00 58.73 61.58 3iss h TYR 84 Cb 1.22 0.33 -0.04 0.00 1.54 0.00 0.00 36.73 39.79 3iss h TYR 84 CO 0.58 -0.43 0.41 -0.44 -1.64 0.00 0.00 178.16 176.64 3iss h ASP 85 N 0.00 0.33 0.00 -2.11 3.32 -2.00 -1.37 116.42 114.60 3iss h ASP 85 Ca 0.51 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.56 3iss h ASP 85 Cb 0.85 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 40.34 3iss h ASP 85 CO -0.99 0.20 -0.12 -0.07 -1.72 0.00 0.00 179.24 176.54 3iss h LEU 86 N 0.37 0.00 -0.91 1.55 4.07 -1.63 -3.35 115.31 115.42 3iss h LEU 86 Ca 0.28 -0.14 0.25 0.00 0.08 0.00 0.00 57.88 58.35 3iss h LEU 86 Cb 0.62 0.00 -0.15 0.00 1.08 0.00 0.00 40.66 42.20 3iss h LEU 86 CO -0.07 0.63 0.23 0.58 -1.08 0.00 0.00 178.44 178.73 3iss h VAL 87 N -1.00 0.24 0.00 1.22 2.07 -1.36 0.47 116.25 117.89 3iss h VAL 87 Ca -0.01 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 3iss h VAL 87 Cb 0.25 0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 30.08 3iss h VAL 87 CO -0.01 0.03 -0.04 0.07 0.02 0.00 0.00 177.57 177.65 3iss h LYS 88 N 0.16 0.00 0.00 1.57 2.10 -1.41 -0.46 116.57 118.53 3iss h LYS 88 Ca 0.58 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.23 3iss h LYS 88 Cb 1.22 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.55 3iss h LYS 88 CO -0.71 0.04 -0.67 0.25 -2.00 0.00 0.00 179.45 176.36 3iss n THR 89 N -3.93 0.12 -3.15 0.07 -2.24 0.16 -4.76 114.28 100.54 3iss n THR 89 Ca -0.03 -0.11 0.04 0.00 -2.27 0.00 0.00 64.05 61.68 3iss n THR 89 Cb 0.12 0.20 -0.00 0.00 -2.10 0.00 0.00 70.33 68.55 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 -3.08 0.53 0.06 -0.78 1.75 -0.20 -5.04 119.30 112.54 3iss s MET 90 Ca 0.08 0.46 0.10 0.00 -1.25 0.00 0.00 55.69 55.08 3iss s MET 90 Cb 0.16 0.22 0.44 0.00 2.84 0.00 0.00 34.83 38.49 3iss s MET 90 CO 0.74 -0.97 1.30 2.89 -0.65 0.00 0.00 175.02 178.33 3iss n ARG 91 N 5.32 0.03 0.20 4.11 1.85 -1.13 -1.27 116.66 125.78 3iss n ARG 91 Ca 0.06 0.42 0.15 0.00 -1.00 0.00 0.00 57.85 57.47 3iss n ARG 91 Cb 0.55 -1.59 0.64 0.00 -1.05 0.00 0.00 32.46 31.01 3iss n ARG 91 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3iss h ALA 92 N 2.20 1.00 -0.89 2.89 0.00 -1.96 -2.52 119.26 119.97 3iss h ALA 92 Ca 0.00 0.00 0.26 0.00 0.00 0.00 0.00 54.91 55.17 3iss h ALA 92 Cb 0.12 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 3iss h ALA 92 CO 0.00 0.00 0.72 0.77 0.00 0.00 0.00 179.25 180.74 3iss h SER 93 N 0.00 0.00 -0.15 0.00 0.02 -1.51 0.11 113.55 112.02 3iss h SER 93 Ca 0.00 0.00 0.04 0.00 -0.84 0.00 0.00 61.79 60.99 3iss h SER 93 Cb 0.31 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.85 3iss h SER 93 CO 0.00 0.00 0.51 -0.29 -1.14 0.00 0.00 176.83 175.91 3iss h ILE 94 N 0.00 0.08 0.00 3.27 6.09 -1.70 0.03 117.51 125.29 3iss h ILE 94 Ca 0.42 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.91 3iss h ILE 94 Cb 1.85 0.52 0.00 0.00 0.47 0.00 0.00 36.82 39.66 3iss h ILE 94 CO -0.00 0.00 0.00 -0.50 -3.07 0.00 0.00 178.15 174.58 3iss h TRP 95 N 0.00 0.00 -0.46 2.19 6.55 -1.04 -2.37 115.95 120.82 3iss h TRP 95 Ca 0.07 0.00 -0.04 0.00 0.95 0.00 0.00 58.89 59.87 3iss h TRP 95 Cb 1.09 0.00 -0.02 0.00 -0.86 0.00 0.00 29.16 29.37 3iss h TRP 95 CO 0.00 0.00 0.11 0.00 -1.05 0.00 0.00 178.44 177.50 3iss h ALA 96 N 2.12 1.34 -0.42 1.49 0.00 -1.21 -3.31 119.26 119.27 3iss h ALA 96 Ca 0.00 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 54.79 3iss h ALA 96 Cb 0.34 -0.19 -0.09 0.00 0.00 0.00 0.00 17.79 17.85 3iss h ALA 96 CO 0.00 0.47 -0.50 1.25 0.00 0.00 0.00 179.25 180.48 3iss h LEU 97 N 0.67 -1.66 0.13 0.00 5.85 -1.64 -2.56 115.31 116.10 3iss h LEU 97 Ca 0.15 0.23 0.01 0.00 0.84 0.00 0.00 57.88 59.12 3iss h LEU 97 Cb 0.25 0.70 -0.04 0.00 0.37 0.00 0.00 40.66 41.94 3iss h LEU 97 CO -0.00 -0.39 -0.49 1.23 -0.34 0.00 0.00 178.44 178.45 3iss h GLY 98 N -0.36 -1.18 0.59 3.75 0.00 -1.78 -1.99 103.07 102.10 3iss h GLY 98 Ca 0.11 0.64 0.07 0.00 0.00 0.00 0.00 47.33 48.14 3iss h GLY 98 CO -0.60 -0.29 0.27 -2.55 0.00 0.00 0.00 176.54 173.38 3iss h PRO 99 N -0.72 0.49 -0.46 4.80 0.11 -1.73 -1.08 132.00 133.42 3iss h PRO 99 Ca -0.01 -0.03 0.07 0.00 0.11 0.00 0.00 66.00 66.14 3iss h PRO 99 Cb 0.72 -0.11 -0.06 0.00 0.11 0.00 0.00 31.00 31.66 3iss h PRO 99 CO -0.26 0.32 0.13 -0.07 -0.21 0.00 0.00 178.00 177.91 3iss h LEU 100 N 0.50 0.09 -0.60 2.35 3.38 -1.20 -0.31 115.31 119.51 3iss h LEU 100 Ca 0.27 0.07 -0.15 0.00 0.09 0.00 0.00 57.88 58.16 3iss h LEU 100 Cb 0.23 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 3iss h LEU 100 CO -0.22 0.08 -0.48 0.58 0.09 0.00 0.00 178.44 178.49 3iss h VAL 101 N 0.28 1.31 -0.60 1.22 2.07 -0.95 -0.54 116.25 119.03 3iss h VAL 101 Ca 0.22 -1.69 -0.10 0.00 0.82 0.00 0.00 66.70 65.95 3iss h VAL 101 Cb 0.25 1.68 -0.02 0.00 -1.52 0.00 0.00 31.29 31.68 3iss h VAL 101 CO -0.26 0.53 -0.01 0.00 0.02 0.00 0.00 177.57 177.85 3iss h ALA 102 N 1.05 0.84 0.07 1.67 0.00 -0.47 -2.20 119.26 120.22 3iss h ALA 102 Ca 0.02 -0.32 -0.37 0.00 0.00 0.00 0.00 54.91 54.24 3iss h ALA 102 Cb 1.00 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 3iss h ALA 102 CO 0.09 0.67 -2.19 -2.13 0.00 0.00 0.00 179.25 175.69 3iss n ARG 103 N -4.17 0.72 0.00 0.00 0.63 -0.20 -4.56 116.66 109.07 3iss n ARG 103 Ca 0.03 0.22 0.05 0.00 -0.92 0.00 0.00 57.85 57.23 3iss n ARG 103 Cb 0.35 -1.63 0.03 0.00 0.45 0.00 0.00 32.46 31.66 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 -3.38 0.00 -0.91 -0.14 3.72 -0.22 -5.00 117.46 111.54 3iss n PHE 104 Ca -0.37 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.03 3iss n PHE 104 Cb 1.03 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.57 3iss n PHE 104 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3iss n GLY 105 N 0.71 0.93 3.22 1.37 0.00 -0.83 -4.98 105.19 105.62 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 -0.12 0.91 -0.29 1.61 -2.07 -1.25 -0.85 119.66 117.59 3iss s GLN 106 Ca 0.00 -1.11 -0.22 0.00 -1.82 0.00 0.00 55.36 52.21 3iss s GLN 106 Cb 0.00 0.32 0.17 0.00 -1.09 0.00 0.00 33.01 32.41 3iss s GLN 106 CO 0.00 -0.29 1.23 0.20 -1.32 0.00 0.00 175.29 175.11 3iss s GLY 107 N -2.92 0.24 -0.19 2.60 0.00 -0.54 -3.07 107.32 103.44 3iss s GLY 107 Ca 0.11 3.33 -0.00 0.00 0.00 0.00 0.00 44.72 48.16 3iss s GLY 107 CO -0.06 2.20 -0.05 1.20 0.00 0.00 0.00 173.10 176.39 3iss s GLN 108 N 0.51 1.48 -0.04 2.90 1.11 0.01 -0.17 119.66 125.47 3iss s GLN 108 Ca 0.00 -0.69 0.06 0.00 0.01 0.00 0.00 55.36 54.75 3iss s GLN 108 Cb -0.04 -2.24 -0.01 0.00 -1.01 0.00 0.00 33.01 29.71 3iss s GLN 108 CO -0.12 -0.50 -0.22 0.08 0.01 0.00 0.00 175.29 174.54 3iss s VAL 109 N 1.56 1.79 0.19 1.09 1.01 -0.80 -0.51 120.40 124.73 3iss s VAL 109 Ca -0.02 -0.94 -0.31 0.00 0.00 0.00 0.00 61.98 60.72 3iss s VAL 109 Cb -0.17 -1.51 -0.09 0.00 0.00 0.00 0.00 36.38 34.61 3iss s VAL 109 CO -0.07 0.50 1.45 -0.55 0.00 0.00 0.00 175.10 176.43 3iss s SER 110 N -0.26 6.70 -0.10 3.32 0.15 -1.01 -0.44 113.70 122.06 3iss s SER 110 Ca 0.01 2.56 -0.29 0.00 0.70 0.00 0.00 55.95 58.93 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 -0.70 1.51 -0.22 1.20 0.00 0.00 173.24 175.04 3iss s LEU 111 N 0.35 4.26 0.34 3.45 1.98 -0.08 -4.84 118.68 124.14 3iss s LEU 111 Ca 0.63 2.02 -0.29 0.00 -2.89 0.00 0.00 54.13 53.60 3iss s LEU 111 Cb -0.41 -3.53 -0.11 0.00 0.66 0.00 0.00 46.19 42.80 3iss s LEU 111 CO 0.37 -0.88 1.48 -2.84 -1.89 0.00 0.00 176.35 172.59 3iss s PRO 112 N 3.86 4.17 0.00 0.98 0.02 -1.26 -5.00 135.00 137.76 3iss s PRO 112 Ca 0.67 2.49 0.00 0.00 0.02 0.00 0.00 61.00 64.18 3iss s PRO 112 Cb -0.29 -3.01 0.00 0.00 0.02 0.00 0.00 34.50 31.22 3iss s PRO 112 CO 0.24 -0.49 0.00 0.41 -0.33 0.00 0.00 177.00 176.83 3iss n GLY 113 N 1.10 1.09 3.89 0.52 0.00 -1.26 -5.02 105.19 105.50 3iss n GLY 113 Ca 0.03 -1.51 -0.29 0.00 0.00 0.00 0.00 46.02 44.25 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 1.75 0.11 -0.02 0.00 -1.26 -4.90 107.32 102.99 3iss s GLY 114 Ca 0.00 -0.30 0.08 0.00 0.00 0.00 0.00 44.72 44.50 3iss s GLY 114 CO 0.00 -0.11 -0.20 0.00 0.00 0.00 0.00 173.10 172.78 3iss h THR 116 N 3.99 0.15 0.00 0.00 1.35 -1.98 -3.20 112.91 113.22 3iss h THR 116 Ca -0.46 -0.41 0.00 0.00 -0.55 0.00 0.00 66.41 64.99 3iss h THR 116 Cb 1.18 1.35 0.00 0.00 -1.73 0.00 0.00 68.15 68.96 3iss h THR 116 CO 0.41 0.04 -0.33 2.30 -0.25 0.00 0.00 175.52 177.68 3iss n ILE 117 N -3.21 0.05 -1.19 6.82 -5.35 -1.26 -4.89 119.36 110.33 3iss n ILE 117 Ca -0.01 -0.03 0.00 0.00 -0.27 0.00 0.00 62.75 62.44 3iss n ILE 117 Cb 0.23 -0.06 0.00 0.00 -1.74 0.00 0.00 39.64 38.08 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 1.48 0.34 3.69 3.28 0.00 -1.21 -3.45 105.19 109.32 3iss n GLY 118 Ca 0.06 -1.70 -0.42 0.00 0.00 0.00 0.00 46.02 43.96 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 -1.00 3.60 -0.39 4.61 0.00 -1.26 -4.29 121.76 123.04 3iss s ALA 119 Ca 0.00 0.99 0.12 0.00 0.00 0.00 0.00 51.96 53.07 3iss s ALA 119 Cb 0.00 -3.60 0.38 0.00 0.00 0.00 0.00 23.12 19.90 3iss s ALA 119 CO 0.00 -0.89 0.84 0.54 0.00 0.00 0.00 175.76 176.24 3iss n ARG 120 N 5.15 1.44 -0.97 0.00 1.74 -1.26 -5.05 116.66 117.71 3iss n ARG 120 Ca 0.13 -3.60 -0.33 0.00 -0.77 0.00 0.00 57.85 53.29 3iss n ARG 120 Cb 0.43 -1.69 0.14 0.00 -1.02 0.00 0.00 32.46 30.32 3iss n ARG 120 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3iss n PRO 121 N 0.08 -0.03 -0.51 5.56 -0.04 -1.26 -4.98 135.00 133.83 3iss n PRO 121 Ca 0.22 0.07 0.07 0.00 -0.04 0.00 0.00 63.50 63.82 3iss n PRO 121 Cb 0.67 -2.42 0.18 0.00 -0.04 0.00 0.00 33.50 31.89 3iss n PRO 121 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 3iss n VAL 122 N -3.61 2.00 -0.33 0.52 0.24 -1.26 -4.81 118.33 111.08 3iss n VAL 122 Ca 0.13 -2.86 0.15 0.00 -2.04 0.00 0.00 64.34 59.72 3iss n VAL 122 Cb 0.51 -0.17 0.34 0.00 -1.47 0.00 0.00 33.84 33.04 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 0.74 0.61 -0.03 -1.34 2.03 -2.00 -1.85 116.42 114.57 3iss h ASP 123 Ca -0.01 0.13 -0.10 0.00 -0.73 0.00 0.00 57.03 56.32 3iss h ASP 123 Cb 1.05 0.04 -0.01 0.00 -0.83 0.00 0.00 39.33 39.57 3iss h ASP 123 CO 0.00 0.13 -0.28 -0.07 -1.03 0.00 0.00 179.24 177.99 3iss h LEU 124 N 0.58 0.48 0.54 0.15 3.38 -1.98 0.98 115.31 119.44 3iss h LEU 124 Ca 0.60 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 58.37 3iss h LEU 124 Cb 1.07 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 41.69 3iss h LEU 124 CO -0.46 0.75 -0.26 0.45 0.09 0.00 0.00 178.44 179.01 3iss h HIS 125 N 0.42 -0.68 0.18 1.13 3.86 -1.68 -1.67 115.15 116.71 3iss h HIS 125 Ca 0.06 -0.02 0.01 0.00 -1.16 0.00 0.00 60.37 59.26 3iss h HIS 125 Cb 0.71 0.22 -0.03 0.00 1.06 0.00 0.00 27.41 29.37 3iss h HIS 125 CO 0.02 -0.41 -0.27 0.82 0.86 0.00 0.00 177.93 178.96 3iss h ILE 126 N -0.77 0.42 -1.00 2.45 2.04 -1.27 -1.96 117.51 117.43 3iss h ILE 126 Ca -0.07 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.88 3iss h ILE 126 Cb 0.58 0.42 -0.08 0.00 -0.74 0.00 0.00 36.82 37.00 3iss h ILE 126 CO 0.12 0.00 0.64 -1.28 0.00 0.00 0.00 178.15 177.63 3iss h SER 127 N -0.52 0.97 -0.74 1.72 0.87 -0.86 -0.61 113.55 114.39 3iss h SER 127 Ca 0.01 0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.59 3iss h SER 127 Cb 0.51 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 62.27 3iss h SER 127 CO -0.11 0.57 0.41 1.23 -0.53 0.00 0.00 176.83 178.40 3iss h GLY 128 N 1.07 1.09 1.46 5.77 0.00 -0.71 -1.19 103.07 110.56 3iss h GLY 128 Ca 0.47 -0.48 -0.16 0.00 0.00 0.00 0.00 47.33 47.15 3iss h GLY 128 CO -0.22 0.47 -0.53 1.41 0.00 0.00 0.00 176.54 177.66 3iss h LEU 129 N 1.01 0.64 -1.02 3.11 3.38 -0.52 -2.45 115.31 119.46 3iss h LEU 129 Ca 0.26 -0.33 -0.07 0.00 0.09 0.00 0.00 57.88 57.82 3iss h LEU 129 Cb 0.02 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 3iss h LEU 129 CO -0.04 1.04 -0.09 -0.33 0.09 0.00 0.00 178.44 179.11 3iss h GLU 130 N 0.45 0.60 0.00 1.13 5.08 -0.77 -1.47 114.58 119.60 3iss h GLU 130 Ca 0.01 -0.17 -0.03 0.00 -1.00 0.00 0.00 59.36 58.17 3iss h GLU 130 Cb 1.07 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.25 3iss h GLU 130 CO 0.10 0.69 -0.15 0.37 -1.00 0.00 0.00 179.01 179.01 3iss h GLN 131 N 0.55 0.00 -0.40 2.33 4.15 -0.95 -1.23 115.11 119.57 3iss h GLN 131 Ca 0.10 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.52 3iss h GLN 131 Cb 0.49 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.18 3iss h GLN 131 CO 0.03 0.15 0.00 1.28 -1.93 0.00 0.00 178.83 178.36 3iss n LEU 132 N -3.31 2.06 0.00 -2.39 4.77 -0.74 -4.78 117.00 112.62 3iss n LEU 132 Ca 0.00 -1.03 0.00 0.00 -0.03 0.00 0.00 56.01 54.95 3iss n LEU 132 Cb 0.39 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 3iss n LEU 132 CO 0.32 0.49 0.00 0.61 -1.33 0.00 0.00 177.39 177.48 3iss n GLY 133 N 1.05 0.58 3.79 -0.72 0.00 -0.46 -1.65 105.19 107.77 3iss n GLY 133 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 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 2.86 -0.18 4.61 0.00 -0.63 -4.86 121.76 121.31 3iss s ALA 134 Ca 0.00 0.67 -0.07 0.00 0.00 0.00 0.00 51.96 52.56 3iss s ALA 134 Cb 0.00 -3.28 -0.04 0.00 0.00 0.00 0.00 23.12 19.80 3iss s ALA 134 CO 0.00 -0.40 0.06 0.99 0.00 0.00 0.00 175.76 176.41 3iss s THR 135 N -1.89 4.79 -0.08 0.00 2.01 0.20 -4.29 115.64 116.38 3iss s THR 135 Ca 0.67 -0.03 0.02 0.00 0.31 0.00 0.00 61.69 62.66 3iss s THR 135 Cb -0.19 -3.16 0.02 0.00 0.01 0.00 0.00 72.50 69.18 3iss s THR 135 CO 0.22 0.47 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.87 3iss s ILE 136 N 0.32 1.15 0.13 1.82 1.01 -1.26 -1.32 121.20 123.05 3iss s ILE 136 Ca 0.03 -0.46 0.03 0.00 0.00 0.00 0.00 60.65 60.25 3iss s ILE 136 Cb -0.12 -1.07 -0.04 0.00 0.01 0.00 0.00 42.46 41.23 3iss s ILE 136 CO 0.00 0.37 -0.09 -1.59 0.00 0.00 0.00 174.94 173.63 3iss s LYS 137 N 0.86 0.98 -0.27 2.79 -2.85 -0.39 -4.97 119.74 115.89 3iss s LYS 137 Ca -0.11 -1.41 0.01 0.00 -1.00 0.00 0.00 55.97 53.47 3iss s LYS 137 Cb -0.15 -0.48 0.05 0.00 -2.06 0.00 0.00 37.83 35.20 3iss s LYS 137 CO 0.01 0.04 -0.07 -1.17 0.10 0.00 0.00 175.35 174.27 3iss s LEU 138 N -3.12 3.59 -0.01 2.77 2.96 -1.26 0.42 118.68 124.03 3iss s LEU 138 Ca 0.15 -1.33 0.02 0.00 -0.22 0.00 0.00 54.13 52.75 3iss s LEU 138 Cb 0.03 -1.61 -0.00 0.00 0.50 0.00 0.00 46.19 45.11 3iss s LEU 138 CO -0.01 -0.21 -0.06 -1.83 -1.32 0.00 0.00 176.35 172.91 3iss s GLU 139 N 1.17 0.55 -1.74 1.98 -1.05 -0.61 -4.80 118.70 114.20 3iss s GLU 139 Ca -0.07 -0.21 0.00 0.00 -0.15 0.00 0.00 54.97 54.54 3iss s GLU 139 Cb -0.20 -0.54 0.00 0.00 -0.44 0.00 0.00 34.13 32.95 3iss s GLU 139 CO -0.04 0.11 0.00 0.39 0.95 0.00 0.00 175.26 176.67 3iss n GLU 140 N 3.07 -1.71 -0.96 -4.83 1.02 -1.26 -1.24 120.64 114.72 3iss n GLU 140 Ca -0.15 0.98 0.00 0.00 -0.02 0.00 0.00 57.16 57.97 3iss n GLU 140 Cb 0.57 -5.57 0.00 0.00 -0.02 0.00 0.00 31.44 26.41 3iss n GLU 140 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3iss n GLY 141 N -0.85 0.83 3.70 0.62 0.00 -1.26 -5.03 105.19 103.21 3iss n GLY 141 Ca -0.22 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.45 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 -3.31 3.34 -0.42 1.61 2.02 -0.38 -0.90 117.35 119.32 3iss s TYR 142 Ca 0.00 0.22 -0.26 0.00 -0.37 0.00 0.00 57.07 56.66 3iss s TYR 142 Cb 0.00 -2.05 0.02 0.00 -0.40 0.00 0.00 41.96 39.53 3iss s TYR 142 CO 0.00 0.31 0.97 0.54 -1.57 0.00 0.00 175.55 175.80 3iss s VAL 143 N 0.02 4.48 -0.27 0.71 0.11 0.41 -1.58 120.40 124.28 3iss s VAL 143 Ca 0.07 1.07 -0.08 0.00 -2.93 0.00 0.00 61.98 60.12 3iss s VAL 143 Cb -0.12 -4.42 -0.02 0.00 -1.53 0.00 0.00 36.38 30.30 3iss s VAL 143 CO 0.00 -0.72 0.09 -0.54 -3.33 0.00 0.00 175.10 170.60 3iss s LYS 144 N 3.75 3.48 0.08 1.54 1.02 0.17 -1.91 119.74 127.87 3iss s LYS 144 Ca 0.40 -0.60 0.06 0.00 0.02 0.00 0.00 55.97 55.85 3iss s LYS 144 Cb -0.10 -3.37 -0.04 0.00 -0.52 0.00 0.00 37.83 33.79 3iss s LYS 144 CO 0.23 -0.28 -0.08 0.00 -0.92 0.00 0.00 175.35 174.30 3iss s ALA 145 N 1.59 3.00 -0.02 5.17 0.00 0.76 -1.26 121.76 131.00 3iss s ALA 145 Ca 0.05 -1.18 -0.24 0.00 0.00 0.00 0.00 51.96 50.59 3iss s ALA 145 Cb -0.16 -0.97 0.05 0.00 0.00 0.00 0.00 23.12 22.04 3iss s ALA 145 CO 0.04 0.64 0.52 -1.54 0.00 0.00 0.00 175.76 175.42 3iss s SER 146 N -2.05 -0.46 -0.11 0.00 1.04 -0.43 -1.47 113.70 110.23 3iss s SER 146 Ca 0.21 0.39 -0.06 0.00 0.48 0.00 0.00 55.95 56.97 3iss s SER 146 Cb -0.11 0.45 0.04 0.00 0.10 0.00 0.00 66.02 66.51 3iss s SER 146 CO 0.13 -0.58 0.26 0.54 0.98 0.00 0.00 173.24 174.57 3iss s VAL 147 N -1.50 -0.03 -0.61 5.02 0.11 -0.03 -0.63 120.40 122.73 3iss s VAL 147 Ca -0.11 0.12 -0.27 0.00 -2.93 0.00 0.00 61.98 58.80 3iss s VAL 147 Cb -0.02 -0.39 -0.00 0.00 -1.53 0.00 0.00 36.38 34.44 3iss s VAL 147 CO 0.06 0.05 1.62 -0.62 -3.33 0.00 0.00 175.10 172.88 3iss s ASP 148 N 1.11 5.72 0.31 3.54 2.15 -1.26 -4.70 116.67 123.54 3iss s ASP 148 Ca -0.08 0.22 0.00 0.00 0.43 0.00 0.00 52.55 53.12 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 -0.08 -2.05 0.00 0.61 -0.17 0.00 0.00 175.17 173.49 3iss n GLY 149 N 5.50 0.71 3.56 2.66 0.00 -1.26 -4.95 105.19 111.41 3iss n GLY 149 Ca 0.15 -1.16 -0.26 0.00 0.00 0.00 0.00 46.02 44.75 3iss n GLY 149 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3iss s ARG 150 N 0.00 1.88 0.80 1.61 1.70 -1.26 -4.68 118.95 119.00 3iss s ARG 150 Ca 0.00 -1.89 -0.11 0.00 -0.47 0.00 0.00 55.73 53.26 3iss s ARG 150 Cb 0.00 -1.76 0.07 0.00 -0.57 0.00 0.00 34.95 32.70 3iss s ARG 150 CO 0.00 0.14 1.09 -0.51 -1.08 0.00 0.00 175.30 174.94 3iss s LEU 151 N -3.63 2.89 -0.13 -1.89 1.43 -1.26 -4.81 118.68 111.28 3iss s LEU 151 Ca 0.33 1.78 0.02 0.00 -1.03 0.00 0.00 54.13 55.23 3iss s LEU 151 Cb 0.02 -4.42 0.00 0.00 0.03 0.00 0.00 46.19 41.82 3iss s LEU 151 CO 0.17 -2.19 -0.20 -0.54 0.23 0.00 0.00 176.35 173.82 3iss s LYS 152 N -4.90 3.12 0.33 1.70 1.02 -0.66 0.47 119.74 120.83 3iss s LYS 152 Ca 0.62 -0.82 -0.25 0.00 0.02 0.00 0.00 55.97 55.54 3iss s LYS 152 Cb -0.18 -2.46 -0.15 0.00 -0.52 0.00 0.00 37.83 34.52 3iss s LYS 152 CO 0.56 0.08 0.57 0.41 -0.92 0.00 0.00 175.35 176.05 3iss n GLY 153 N 3.83 -1.49 3.39 -3.33 0.00 0.27 -4.59 105.19 103.27 3iss n GLY 153 Ca -0.19 0.18 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.29 -0.70 -0.51 4.61 0.00 -1.08 -4.76 121.76 118.03 3iss s ALA 154 Ca 0.62 -0.32 -0.19 0.00 0.00 0.00 0.00 51.96 52.07 3iss s ALA 154 Cb -0.72 0.77 0.06 0.00 0.00 0.00 0.00 23.12 23.23 3iss s ALA 154 CO 0.59 -0.70 0.62 -1.58 0.00 0.00 0.00 175.76 174.69 3iss s HIS 155 N -3.87 3.05 -0.25 0.00 2.46 -1.26 -0.83 115.29 114.60 3iss s HIS 155 Ca 0.08 -0.55 -0.03 0.00 0.47 0.00 0.00 55.06 55.02 3iss s HIS 155 Cb 0.01 -3.54 0.01 0.00 -0.13 0.00 0.00 32.58 28.94 3iss s HIS 155 CO -0.06 -1.03 -0.03 0.42 -2.47 0.00 0.00 174.74 171.57 3iss s ILE 156 N 2.60 3.25 -0.36 0.89 1.01 0.11 -4.96 121.20 123.75 3iss s ILE 156 Ca 0.15 -0.77 -0.12 0.00 0.00 0.00 0.00 60.65 59.91 3iss s ILE 156 Cb -0.19 -2.59 0.01 0.00 0.01 0.00 0.00 42.46 39.69 3iss s ILE 156 CO 0.12 0.26 0.22 -0.69 0.00 0.00 0.00 174.94 174.84 3iss s VAL 157 N 1.41 4.84 -0.05 2.92 1.01 -1.26 0.15 120.40 129.42 3iss s VAL 157 Ca 0.03 -0.59 -0.30 0.00 0.00 0.00 0.00 61.98 61.12 3iss s VAL 157 Cb -0.16 -3.60 -0.03 0.00 0.00 0.00 0.00 36.38 32.59 3iss s VAL 157 CO -0.03 -0.13 1.19 -0.04 0.00 0.00 0.00 175.10 176.09 3iss s MET 158 N 1.62 4.36 0.18 2.72 1.00 -0.34 -4.95 119.30 123.90 3iss s MET 158 Ca 0.04 1.66 -0.13 0.00 0.00 0.00 0.00 55.69 57.26 3iss s MET 158 Cb -0.18 -3.54 0.16 0.00 0.00 0.00 0.00 34.83 31.26 3iss s MET 158 CO 0.08 -0.43 1.76 0.22 0.00 0.00 0.00 175.02 176.65 3iss h ASP 159 N 7.40 0.22 -4.96 3.03 1.82 -1.93 -3.44 116.42 118.56 3iss h ASP 159 Ca -0.34 0.05 -0.36 0.00 -0.39 0.00 0.00 57.03 55.99 3iss h ASP 159 Cb 1.16 0.02 -0.14 0.00 0.68 0.00 0.00 39.33 41.05 3iss h ASP 159 CO 0.87 0.16 -0.58 -1.59 -1.61 0.00 0.00 179.24 176.49 3iss s LYS 160 N -6.13 1.46 -0.11 0.28 -2.85 -1.26 -5.13 119.74 106.01 3iss s LYS 160 Ca -0.13 -1.81 -0.29 0.00 -1.00 0.00 0.00 55.97 52.74 3iss s LYS 160 Cb 0.14 -0.02 -0.01 0.00 -2.06 0.00 0.00 37.83 35.88 3iss s LYS 160 CO 0.73 -0.41 0.97 0.08 0.10 0.00 0.00 175.35 176.82 3iss s VAL 161 N -3.77 4.81 -0.12 1.79 1.01 -1.26 -4.99 120.40 117.87 3iss s VAL 161 Ca 0.37 1.97 -0.04 0.00 0.00 0.00 0.00 61.98 64.28 3iss s VAL 161 Cb 0.06 -4.28 0.06 0.00 0.00 0.00 0.00 36.38 32.22 3iss s VAL 161 CO 0.16 0.03 0.21 -0.55 0.00 0.00 0.00 175.10 174.95 3iss s SER 162 N 1.09 0.68 0.14 3.32 0.15 -1.26 -5.02 113.70 112.79 3iss s SER 162 Ca 0.47 0.36 -0.18 0.00 0.70 0.00 0.00 55.95 57.30 3iss s SER 162 Cb -0.18 0.47 -0.02 0.00 -1.71 0.00 0.00 66.02 64.57 3iss s SER 162 CO 0.18 -0.25 1.77 0.58 1.20 0.00 0.00 173.24 176.71 3iss h VAL 163 N 6.33 1.10 0.27 4.45 2.07 -1.95 -2.04 116.25 126.47 3iss h VAL 163 Ca -0.14 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.13 3iss h VAL 163 Cb 1.12 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 3iss h VAL 163 CO 0.16 0.10 -0.13 1.23 0.02 0.00 0.00 177.57 178.95 3iss h GLY 164 N 0.42 -0.38 1.18 2.17 0.00 -2.00 -2.18 103.07 102.29 3iss h GLY 164 Ca 0.12 0.14 -0.11 0.00 0.00 0.00 0.00 47.33 47.48 3iss h GLY 164 CO -0.02 -0.14 -0.11 0.00 0.00 0.00 0.00 176.54 176.27 3iss h ALA 165 N 0.26 0.83 -0.66 3.60 0.00 -1.92 -0.99 119.26 120.38 3iss h ALA 165 Ca -0.04 -0.35 0.09 0.00 0.00 0.00 0.00 54.91 54.61 3iss h ALA 165 Cb 0.34 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 17.87 3iss h ALA 165 CO 0.06 0.66 0.31 1.15 0.00 0.00 0.00 179.25 181.42 3iss h THR 166 N 0.86 0.84 -0.41 0.00 2.02 -1.33 -0.45 112.91 114.44 3iss h THR 166 Ca 0.14 -0.18 -0.09 0.00 0.77 0.00 0.00 66.41 67.04 3iss h THR 166 Cb 0.66 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 67.31 3iss h THR 166 CO 0.05 0.10 -0.10 0.58 0.37 0.00 0.00 175.52 176.51 3iss h VAL 167 N 0.54 1.27 0.01 3.16 2.07 -1.00 -1.20 116.25 121.10 3iss h VAL 167 Ca 0.32 -1.20 0.02 0.00 0.82 0.00 0.00 66.70 66.66 3iss h VAL 167 Cb 0.34 1.21 -0.03 0.00 -1.52 0.00 0.00 31.29 31.29 3iss h VAL 167 CO -0.26 0.40 -0.14 0.74 0.02 0.00 0.00 177.57 178.33 3iss h THR 168 N 0.61 0.65 -0.18 2.57 2.02 -0.55 -1.65 112.91 116.37 3iss h THR 168 Ca 0.10 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.26 3iss h THR 168 Cb 0.63 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 67.69 3iss h THR 168 CO 0.04 0.00 0.01 0.40 0.37 0.00 0.00 175.52 176.34 3iss h ILE 169 N -0.24 1.24 -0.56 3.11 2.04 -1.08 -2.18 117.51 119.84 3iss h ILE 169 Ca 0.05 -0.81 0.08 0.00 1.00 0.00 0.00 64.86 65.17 3iss h ILE 169 Cb 0.30 1.42 -0.06 0.00 -0.74 0.00 0.00 36.82 37.73 3iss h ILE 169 CO -0.13 0.25 0.22 -0.03 0.00 0.00 0.00 178.15 178.45 3iss h MET 170 N 0.09 0.40 -0.26 2.37 4.05 -1.05 -1.13 114.93 119.39 3iss h MET 170 Ca 0.05 -0.02 -0.04 0.00 -0.28 0.00 0.00 59.70 59.41 3iss h MET 170 Cb 0.36 -0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 31.06 3iss h MET 170 CO 0.01 0.26 0.02 0.00 0.23 0.00 0.00 176.91 177.43 3iss h ALA 172 N 0.84 1.25 0.00 0.00 0.00 -0.90 -2.77 119.26 117.69 3iss h ALA 172 Ca 0.08 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 3iss h ALA 172 Cb 0.37 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 3iss h ALA 172 CO 0.01 0.60 -0.15 0.00 0.00 0.00 0.00 179.25 179.71 3iss h ALA 173 N 1.35 1.34 0.00 0.00 0.00 -1.11 -3.05 119.26 117.80 3iss h ALA 173 Ca 0.28 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3iss h ALA 173 Cb 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3iss h ALA 173 CO -0.05 0.19 0.01 1.79 0.00 0.00 0.00 179.25 181.19 3iss h THR 174 N 0.00 0.00 -0.06 0.00 1.35 -1.46 -0.13 112.91 112.61 3iss h THR 174 Ca -0.00 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.84 3iss h THR 174 Cb 0.37 0.97 -0.01 0.00 -1.73 0.00 0.00 68.15 67.75 3iss h THR 174 CO 0.02 0.00 -0.20 0.18 -0.25 0.00 0.00 175.52 175.27 3iss n LEU 175 N -3.04 2.82 -4.99 3.87 4.77 -1.15 -1.70 117.00 117.57 3iss n LEU 175 Ca -0.03 -3.47 -0.19 0.00 -0.03 0.00 0.00 56.01 52.29 3iss n LEU 175 Cb 0.08 -0.50 0.03 0.00 -2.33 0.00 0.00 43.42 40.69 3iss n LEU 175 CO 0.19 1.03 0.27 0.00 -1.33 0.00 0.00 177.39 177.56 3iss s ALA 176 N -3.05 4.19 -0.43 -1.18 0.00 -0.06 -4.49 121.76 116.73 3iss s ALA 176 Ca 0.37 -1.50 -0.26 0.00 0.00 0.00 0.00 51.96 50.56 3iss s ALA 176 Cb 0.33 -1.87 0.02 0.00 0.00 0.00 0.00 23.12 21.61 3iss s ALA 176 CO -0.01 -0.55 0.96 -1.21 0.00 0.00 0.00 175.76 174.95 3iss s GLU 177 N -4.58 3.67 0.74 0.00 2.02 0.17 -4.09 118.70 116.63 3iss s GLU 177 Ca 0.57 0.37 0.00 0.00 0.02 0.00 0.00 54.97 55.93 3iss s GLU 177 Cb -0.10 -3.88 0.00 0.00 0.10 0.00 0.00 34.13 30.25 3iss s GLU 177 CO 0.36 -1.15 0.00 0.41 0.02 0.00 0.00 175.26 174.90 3iss n GLY 178 N 4.72 -0.69 3.51 -1.39 0.00 -1.26 -0.57 105.19 109.51 3iss n GLY 178 Ca 0.07 -1.69 -0.34 0.00 0.00 0.00 0.00 46.02 44.07 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 4.01 -0.09 2.61 2.01 -1.26 -0.72 115.64 122.21 3iss s THR 179 Ca 0.00 -0.31 -0.02 0.00 0.31 0.00 0.00 61.69 61.67 3iss s THR 179 Cb 0.00 -2.77 -0.03 0.00 0.01 0.00 0.00 72.50 69.71 3iss s THR 179 CO 0.00 0.49 0.01 -0.89 -0.69 0.00 0.00 174.62 173.53 3iss s THR 180 N 0.39 4.34 -0.15 -0.82 2.01 0.55 -2.64 115.64 119.32 3iss s THR 180 Ca -0.03 -0.23 0.00 0.00 0.31 0.00 0.00 61.69 61.74 3iss s THR 180 Cb -0.14 -2.83 0.03 0.00 0.01 0.00 0.00 72.50 69.57 3iss s THR 180 CO 0.03 0.60 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.82 3iss s ILE 181 N -0.87 1.40 -0.35 1.82 1.01 -0.01 -0.86 121.20 123.33 3iss s ILE 181 Ca 0.13 -0.63 -0.15 0.00 0.00 0.00 0.00 60.65 60.00 3iss s ILE 181 Cb -0.11 -1.40 -0.01 0.00 0.01 0.00 0.00 42.46 40.95 3iss s ILE 181 CO 0.02 0.34 0.33 -0.63 0.00 0.00 0.00 174.94 175.00 3iss s ILE 182 N 1.54 5.20 -0.05 2.92 1.01 -0.18 0.08 121.20 131.72 3iss s ILE 182 Ca 0.03 -0.12 -0.08 0.00 0.00 0.00 0.00 60.65 60.48 3iss s ILE 182 Cb -0.14 -3.82 -0.05 0.00 0.01 0.00 0.00 42.46 38.46 3iss s ILE 182 CO -0.09 -0.12 0.23 -1.61 0.00 0.00 0.00 174.94 173.35 3iss s GLU 183 N 1.92 3.57 -0.90 2.79 0.41 0.12 -1.92 118.70 124.69 3iss s GLU 183 Ca 0.10 -0.03 -0.06 0.00 -0.41 0.00 0.00 54.97 54.57 3iss s GLU 183 Cb -0.17 -3.16 0.01 0.00 -1.78 0.00 0.00 34.13 29.03 3iss s GLU 183 CO 0.11 0.72 0.79 -1.71 -0.49 0.00 0.00 175.26 174.68 3iss n ASN 184 N 1.64 -4.89 -4.82 -0.19 4.05 -0.31 -1.20 115.26 109.53 3iss n ASN 184 Ca -0.16 -0.36 -0.31 0.00 0.45 0.00 0.00 54.58 54.20 3iss n ASN 184 Cb 0.54 -3.52 0.04 0.00 1.23 0.00 0.00 39.78 38.06 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 -3.21 2.72 0.32 5.20 0.00 -0.25 -4.60 121.76 121.94 3iss s ALA 185 Ca 0.39 0.16 -0.27 0.00 0.00 0.00 0.00 51.96 52.24 3iss s ALA 185 Cb -0.17 -3.18 -0.09 0.00 0.00 0.00 0.00 23.12 19.67 3iss s ALA 185 CO 0.49 -1.07 1.02 0.00 0.00 0.00 0.00 175.76 176.20 3iss s ALA 186 N -2.88 3.25 -2.03 0.00 0.00 -1.26 -4.50 121.76 114.34 3iss s ALA 186 Ca 0.59 0.71 0.20 0.00 0.00 0.00 0.00 51.96 53.47 3iss s ALA 186 Cb -0.14 -3.26 0.44 0.00 0.00 0.00 0.00 23.12 20.16 3iss s ALA 186 CO 0.49 -0.04 1.37 0.54 0.00 0.00 0.00 175.76 178.12 3iss n ARG 187 N 0.71 2.48 -1.53 0.00 3.00 -1.26 -4.65 116.66 115.41 3iss n ARG 187 Ca 0.01 -2.27 -0.45 0.00 -0.01 0.00 0.00 57.85 55.13 3iss n ARG 187 Cb 0.48 -1.47 -0.02 0.00 0.00 0.00 0.00 32.46 31.45 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 1.33 0.91 -0.24 5.56 4.71 -1.26 -4.58 120.64 127.06 3iss n GLU 188 Ca 0.19 0.32 0.20 0.00 -0.01 0.00 0.00 57.16 57.85 3iss n GLU 188 Cb 0.56 -1.59 0.52 0.00 -1.01 0.00 0.00 31.44 29.92 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 1.60 0.38 0.00 3.49 0.11 -1.96 -0.13 132.00 135.49 3iss h PRO 189 Ca -0.37 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.68 3iss h PRO 189 Cb 1.37 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.39 3iss h PRO 189 CO 0.59 0.25 -0.19 0.93 -0.21 0.00 0.00 178.00 179.37 3iss h GLU 190 N 0.39 0.00 -0.04 1.05 3.07 -1.89 -1.27 114.58 115.89 3iss h GLU 190 Ca 0.47 0.00 -0.19 0.00 -0.50 0.00 0.00 59.36 59.15 3iss h GLU 190 Cb 1.20 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.10 3iss h GLU 190 CO -0.18 0.19 -0.79 0.82 -1.40 0.00 0.00 179.01 177.66 3iss h ILE 191 N 0.00 1.42 -0.10 3.13 2.04 -1.35 -1.90 117.51 120.75 3iss h ILE 191 Ca -0.00 -2.30 -0.02 0.00 1.00 0.00 0.00 64.86 63.54 3iss h ILE 191 Cb 0.60 2.25 -0.00 0.00 -0.74 0.00 0.00 36.82 38.92 3iss h ILE 191 CO 0.02 0.68 0.00 0.58 0.00 0.00 0.00 178.15 179.44 3iss h VAL 192 N 0.20 1.25 -0.64 1.67 2.07 -1.19 -1.53 116.25 118.08 3iss h VAL 192 Ca -0.04 -0.79 0.02 0.00 0.82 0.00 0.00 66.70 66.71 3iss h VAL 192 Cb 1.37 1.58 -0.04 0.00 -1.52 0.00 0.00 31.29 32.69 3iss h VAL 192 CO 0.13 0.23 0.41 -0.78 0.02 0.00 0.00 177.57 177.57 3iss h ASP 193 N -0.10 0.68 -0.73 0.57 3.58 -1.25 -0.31 116.42 118.86 3iss h ASP 193 Ca 0.03 -0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.47 3iss h ASP 193 Cb 0.35 -0.15 -0.04 0.00 1.72 0.00 0.00 39.33 41.21 3iss h ASP 193 CO 0.00 0.48 0.45 0.74 -2.88 0.00 0.00 179.24 178.03 3iss h THR 194 N 0.81 1.20 -0.62 2.25 2.02 -1.27 -0.97 112.91 116.34 3iss h THR 194 Ca 0.25 -0.44 -0.06 0.00 0.77 0.00 0.00 66.41 66.94 3iss h THR 194 Cb -0.02 0.18 -0.03 0.00 -1.74 0.00 0.00 68.15 66.54 3iss h THR 194 CO -0.09 0.21 0.16 0.00 0.37 0.00 0.00 175.52 176.17 3iss h ALA 195 N 1.24 0.82 -0.10 6.16 0.00 -0.64 -1.62 119.26 125.11 3iss h ALA 195 Ca 0.26 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 3iss h ALA 195 Cb -0.05 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 3iss h ALA 195 CO -0.05 0.52 -0.24 -0.91 0.00 0.00 0.00 179.25 178.57 3iss h ASN 196 N 0.90 0.17 -0.25 0.00 2.35 -0.74 0.32 115.58 118.34 3iss h ASN 196 Ca 0.20 -0.05 -0.09 0.00 -0.55 0.00 0.00 56.30 55.81 3iss h ASN 196 Cb 0.34 -0.05 -0.00 0.00 0.05 0.00 0.00 38.32 38.66 3iss h ASN 196 CO 0.00 0.42 -0.20 0.15 -1.65 0.00 0.00 177.43 176.15 3iss h PHE 197 N 0.16 0.68 -0.56 1.19 3.57 -1.03 -2.46 116.94 118.49 3iss h PHE 197 Ca 0.03 -0.19 0.01 0.00 3.53 0.00 0.00 57.97 61.35 3iss h PHE 197 Cb 0.52 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 39.08 3iss h PHE 197 CO 0.01 0.88 0.36 -0.07 -2.23 0.00 0.00 178.31 177.26 3iss h LEU 198 N 0.29 0.62 -0.92 0.59 3.38 -0.83 -2.40 115.31 116.05 3iss h LEU 198 Ca 0.05 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3iss h LEU 198 Cb 0.74 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.30 3iss h LEU 198 CO 0.05 0.44 0.59 0.40 0.09 0.00 0.00 178.44 180.02 3iss h ILE 199 N 0.74 1.24 -0.33 1.22 2.04 -0.96 -1.31 117.51 120.15 3iss h ILE 199 Ca 0.21 -0.47 0.08 0.00 1.00 0.00 0.00 64.86 65.68 3iss h ILE 199 Cb -0.05 -0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 35.92 3iss h ILE 199 CO -0.06 0.24 0.24 0.74 0.00 0.00 0.00 178.15 179.31 3iss h THR 200 N 1.25 0.87 -0.00 -0.27 2.02 -0.94 0.22 112.91 116.05 3iss h THR 200 Ca 0.33 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.49 3iss h THR 200 Cb -0.11 0.80 0.00 0.00 -1.74 0.00 0.00 68.15 67.09 3iss h THR 200 CO -0.07 0.01 -0.11 0.18 0.37 0.00 0.00 175.52 175.90 3iss n LEU 201 N -4.45 0.24 0.00 2.58 4.77 -0.69 -4.87 117.00 114.58 3iss n LEU 201 Ca 0.05 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 3iss n LEU 201 Cb 0.37 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 3iss n LEU 201 CO 0.35 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 3iss n GLY 202 N 1.38 1.40 3.87 -0.72 0.00 0.77 -1.49 105.19 110.39 3iss n GLY 202 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 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 3.12 -0.41 4.61 0.00 -0.58 -4.93 121.76 121.57 3iss s ALA 203 Ca 0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 51.96 51.87 3iss s ALA 203 Cb 0.00 -3.05 0.11 0.00 0.00 0.00 0.00 23.12 20.19 3iss s ALA 203 CO 0.00 -0.59 0.18 0.15 0.00 0.00 0.00 175.76 175.50 3iss s LYS 204 N -4.97 1.90 -0.01 0.00 1.02 -1.25 -4.33 119.74 112.09 3iss s LYS 204 Ca 0.55 -1.93 0.04 0.00 0.02 0.00 0.00 55.97 54.66 3iss s LYS 204 Cb -0.11 -3.48 -0.01 0.00 -0.52 0.00 0.00 37.83 33.71 3iss s LYS 204 CO 0.50 -1.05 -0.14 0.42 -0.92 0.00 0.00 175.35 174.16 3iss s ILE 205 N 0.92 1.12 0.01 2.17 1.01 -1.26 -0.76 121.20 124.41 3iss s ILE 205 Ca 0.10 -0.62 -0.03 0.00 0.00 0.00 0.00 60.65 60.10 3iss s ILE 205 Cb -0.22 -0.93 -0.01 0.00 0.01 0.00 0.00 42.46 41.31 3iss s ILE 205 CO -0.05 0.30 0.04 -0.94 0.00 0.00 0.00 174.94 174.30 3iss s SER 206 N -0.36 0.15 0.00 3.58 1.04 -0.04 -4.90 113.70 113.16 3iss s SER 206 Ca 0.05 -0.37 0.00 0.00 0.48 0.00 0.00 55.95 56.11 3iss s SER 206 Cb -0.06 0.14 0.00 0.00 0.10 0.00 0.00 66.02 66.21 3iss s SER 206 CO -0.00 -0.33 0.00 0.61 0.98 0.00 0.00 173.24 174.50 3iss n GLY 207 N 1.54 0.44 3.63 7.32 0.00 -1.26 -0.05 105.19 116.82 3iss n GLY 207 Ca -0.23 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.31 3iss n GLY 207 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iss n GLN 208 N -2.00 1.67 -0.11 1.61 0.00 -1.26 -0.66 117.38 116.63 3iss n GLN 208 Ca 0.00 0.60 0.00 0.00 0.00 0.00 0.00 57.00 57.60 3iss n GLN 208 Cb 0.00 -2.23 0.00 0.00 0.00 0.00 0.00 30.24 28.01 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 2.42 0.65 3.72 2.61 0.00 -1.26 -4.94 105.19 108.38 3iss n GLY 209 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.34 1.75 -1.11 2.61 -4.23 0.17 -4.79 115.64 107.71 3iss s THR 210 Ca 0.00 -1.89 0.19 0.00 -1.18 0.00 0.00 61.69 58.82 3iss s THR 210 Cb 0.00 -2.64 0.20 0.00 1.34 0.00 0.00 72.50 71.40 3iss s THR 210 CO 0.00 0.00 1.61 -0.90 -0.54 0.00 0.00 174.62 174.79 3iss n ASP 211 N -1.20 0.00 -4.03 3.99 5.68 -1.26 -4.61 116.55 115.12 3iss n ASP 211 Ca -0.09 0.38 -0.31 0.00 -0.50 0.00 0.00 54.79 54.27 3iss n ASP 211 Cb 0.66 -0.45 -0.16 0.00 -1.14 0.00 0.00 41.12 40.04 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 -2.89 2.33 -0.15 0.11 3.52 -1.26 -1.09 118.95 119.52 3iss s ARG 212 Ca 0.12 -0.78 -0.02 0.00 -0.13 0.00 0.00 55.73 54.91 3iss s ARG 212 Cb 0.13 -2.38 -0.02 0.00 -1.56 0.00 0.00 34.95 31.12 3iss s ARG 212 CO 0.34 -0.33 -0.08 0.42 -0.81 0.00 0.00 175.30 174.84 3iss s ILE 213 N 1.38 3.47 -0.19 4.11 1.01 -0.81 -4.31 121.20 125.87 3iss s ILE 213 Ca 0.02 -0.51 -0.03 0.00 0.00 0.00 0.00 60.65 60.13 3iss s ILE 213 Cb -0.15 -2.50 -0.01 0.00 0.01 0.00 0.00 42.46 39.81 3iss s ILE 213 CO -0.10 0.50 -0.06 -0.69 0.00 0.00 0.00 174.94 174.59 3iss s VAL 214 N 0.46 3.40 -0.15 2.92 1.01 0.93 -1.01 120.40 127.97 3iss s VAL 214 Ca -0.06 -0.50 0.01 0.00 0.00 0.00 0.00 61.98 61.43 3iss s VAL 214 Cb -0.15 -2.52 0.01 0.00 0.00 0.00 0.00 36.38 33.72 3iss s VAL 214 CO 0.04 0.45 -0.19 -0.63 0.00 0.00 0.00 175.10 174.77 3iss s ILE 215 N 1.09 2.30 -0.37 2.22 1.09 -0.04 -0.87 121.20 126.62 3iss s ILE 215 Ca 0.01 -0.89 -0.13 0.00 -1.10 0.00 0.00 60.65 58.53 3iss s ILE 215 Cb -0.15 -1.95 0.00 0.00 -1.06 0.00 0.00 42.46 39.31 3iss s ILE 215 CO -0.01 0.53 0.26 -0.70 -0.10 0.00 0.00 174.94 174.93 3iss s GLU 216 N 0.86 3.19 0.31 2.79 2.56 0.06 -0.33 118.70 128.14 3iss s GLU 216 Ca -0.05 -0.86 -0.29 0.00 0.00 0.00 0.00 54.97 53.77 3iss s GLU 216 Cb -0.15 -3.86 -0.12 0.00 2.00 0.00 0.00 34.13 31.99 3iss s GLU 216 CO -0.02 -0.60 1.49 0.41 -0.56 0.00 0.00 175.26 175.98 3iss n GLY 217 N 5.11 1.10 3.69 -1.50 0.00 0.10 -3.92 105.19 109.77 3iss n GLY 217 Ca -0.12 0.41 -0.30 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.42 1.66 -1.59 1.61 -7.23 -0.69 -4.67 120.40 109.07 3iss s VAL 218 Ca 0.61 -1.98 0.26 0.00 -1.81 0.00 0.00 61.98 59.06 3iss s VAL 218 Cb -0.53 -2.64 0.22 0.00 0.56 0.00 0.00 36.38 33.98 3iss s VAL 218 CO 0.54 0.00 1.54 1.21 -0.31 0.00 0.00 175.10 178.08 3iss n GLU 219 N -1.11 0.66 -2.63 4.82 0.00 -1.26 -4.30 120.64 116.82 3iss n GLU 219 Ca -0.11 -0.39 0.00 0.00 0.00 0.00 0.00 57.16 56.67 3iss n GLU 219 Cb 0.67 -1.49 0.01 0.00 0.00 0.00 0.00 31.44 30.62 3iss n GLU 219 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.13 180.02 3iss n ARG 220 N -0.83 0.16 -3.69 5.31 1.85 -1.26 -5.08 116.66 113.12 3iss n ARG 220 Ca 0.11 -0.45 -0.14 0.00 -1.00 0.00 0.00 57.85 56.37 3iss n ARG 220 Cb 0.34 0.66 -0.09 0.00 -1.05 0.00 0.00 32.46 32.33 3iss n ARG 220 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 3iss s LEU 221 N 0.00 0.17 0.00 2.89 1.43 -1.26 -4.88 118.68 117.02 3iss s LEU 221 Ca 0.11 0.77 0.00 0.00 -1.03 0.00 0.00 54.13 53.98 3iss s LEU 221 Cb -0.01 1.72 0.00 0.00 0.03 0.00 0.00 46.19 47.93 3iss s LEU 221 CO 0.01 -0.29 0.00 0.61 0.23 0.00 0.00 176.35 176.91 3iss n GLY 222 N 2.24 1.62 0.00 -3.19 0.00 -0.55 -0.57 105.19 104.74 3iss n GLY 222 Ca -0.16 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.22 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 5.54 0.00 -0.02 0.00 -1.26 -3.27 105.19 111.19 3iss n GLY 223 Ca 0.00 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 44.07 3iss n GLY 223 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iss n GLY 224 N 3.53 -0.19 3.07 -0.02 0.00 -1.19 -4.57 105.19 105.82 3iss n GLY 224 Ca 0.00 -1.48 -0.23 0.00 0.00 0.00 0.00 46.02 44.31 3iss n GLY 224 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iss s VAL 225 N -2.75 1.10 -0.08 1.61 1.01 -1.26 -0.82 120.40 119.20 3iss s VAL 225 Ca 0.00 -0.54 -0.07 0.00 0.00 0.00 0.00 61.98 61.37 3iss s VAL 225 Cb 0.00 -0.95 0.03 0.00 0.00 0.00 0.00 36.38 35.45 3iss s VAL 225 CO 0.00 0.33 0.21 -0.47 0.00 0.00 0.00 175.10 175.17 3iss s TYR 226 N 0.05 -0.25 -0.22 5.22 5.04 -0.64 -4.99 117.35 121.56 3iss s TYR 226 Ca -0.02 0.61 -0.09 0.00 -2.44 0.00 0.00 57.07 55.13 3iss s TYR 226 Cb -0.09 0.06 -0.04 0.00 0.35 0.00 0.00 41.96 42.23 3iss s TYR 226 CO 0.01 -0.14 0.11 0.50 -1.34 0.00 0.00 175.55 174.69 3iss s ARG 227 N 0.42 3.99 0.30 4.97 3.52 -1.26 0.08 118.95 130.97 3iss s ARG 227 Ca -0.03 -0.32 -0.29 0.00 -0.13 0.00 0.00 55.73 54.97 3iss s ARG 227 Cb -0.04 -3.38 -0.09 0.00 -1.56 0.00 0.00 34.95 29.87 3iss s ARG 227 CO -0.02 0.13 1.11 0.08 -0.81 0.00 0.00 175.30 175.78 3iss s VAL 228 N 0.82 3.45 0.98 7.11 1.01 -0.72 -4.94 120.40 128.10 3iss s VAL 228 Ca 0.06 1.42 -0.12 0.00 0.00 0.00 0.00 61.98 63.34 3iss s VAL 228 Cb -0.13 -3.89 0.17 0.00 0.00 0.00 0.00 36.38 32.54 3iss s VAL 228 CO 0.02 0.31 1.09 -1.48 0.00 0.00 0.00 175.10 175.04 3iss s LEU 229 N -1.61 1.76 0.62 3.92 2.34 -1.26 -4.68 118.68 119.77 3iss s LEU 229 Ca 0.46 1.28 -0.15 0.00 0.06 0.00 0.00 54.13 55.79 3iss s LEU 229 Cb -0.31 -3.52 -0.02 0.00 -0.56 0.00 0.00 46.19 41.77 3iss s LEU 229 CO 0.40 -3.03 1.07 -2.84 -1.06 0.00 0.00 176.35 170.89 3iss s PRO 230 N -4.94 3.15 -0.53 1.48 0.02 -1.26 -0.54 135.00 132.38 3iss s PRO 230 Ca 0.65 1.20 -0.26 0.00 0.02 0.00 0.00 61.00 62.61 3iss s PRO 230 Cb -0.19 -2.01 0.03 0.00 0.02 0.00 0.00 34.50 32.36 3iss s PRO 230 CO 0.58 -0.94 1.02 0.34 -0.33 0.00 0.00 177.00 177.66 3iss s ASP 231 N -2.90 6.43 0.40 2.53 -1.08 -0.78 -4.33 116.67 116.94 3iss s ASP 231 Ca 0.63 -0.05 0.10 0.00 -0.52 0.00 0.00 52.55 52.71 3iss s ASP 231 Cb -0.16 -2.48 0.85 0.00 -1.46 0.00 0.00 42.92 39.66 3iss s ASP 231 CO 0.41 -1.25 1.96 0.08 0.52 0.00 0.00 175.17 176.89 3iss h ARG 232 N 9.31 0.27 -0.19 4.34 0.11 -1.93 -1.70 114.38 124.59 3iss h ARG 232 Ca -0.25 -0.05 -0.21 0.00 0.10 0.00 0.00 59.98 59.57 3iss h ARG 232 Cb 1.07 -0.04 0.01 0.00 1.11 0.00 0.00 29.97 32.11 3iss h ARG 232 CO 1.10 0.33 -0.71 0.82 0.10 0.00 0.00 179.97 181.61 3iss h ILE 233 N 0.26 1.27 -0.61 0.08 1.08 -1.95 0.18 117.51 117.82 3iss h ILE 233 Ca 0.06 -1.90 -0.07 0.00 -0.39 0.00 0.00 64.86 62.56 3iss h ILE 233 Cb 0.26 1.88 -0.02 0.00 -3.07 0.00 0.00 36.82 35.86 3iss h ILE 233 CO 0.01 0.61 0.11 -0.08 -0.69 0.00 0.00 178.15 178.11 3iss h GLU 234 N 0.58 1.00 -0.07 2.37 4.81 -1.92 -1.06 114.58 120.28 3iss h GLU 234 Ca -0.03 -0.26 0.03 0.00 -0.13 0.00 0.00 59.36 58.97 3iss h GLU 234 Cb 1.34 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 30.56 3iss h GLU 234 CO 0.15 0.93 -0.13 1.15 -0.73 0.00 0.00 179.01 180.38 3iss h THR 235 N 0.91 0.66 -0.94 0.32 2.02 -1.09 -2.16 112.91 112.63 3iss h THR 235 Ca 0.19 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.39 3iss h THR 235 Cb 0.41 0.66 -0.05 0.00 -1.74 0.00 0.00 68.15 67.42 3iss h THR 235 CO 0.01 0.00 0.62 1.23 0.37 0.00 0.00 175.52 177.75 3iss h GLY 236 N -0.18 1.33 1.02 2.16 0.00 -0.81 -1.48 103.07 105.11 3iss h GLY 236 Ca 0.07 -0.48 -0.03 0.00 0.00 0.00 0.00 47.33 46.89 3iss h GLY 236 CO -0.18 0.44 0.33 -0.84 0.00 0.00 0.00 176.54 176.29 3iss h THR 237 N 1.22 1.24 0.01 4.70 2.02 -0.66 -0.41 112.91 121.03 3iss h THR 237 Ca 0.36 -0.69 -0.25 0.00 0.77 0.00 0.00 66.41 66.60 3iss h THR 237 Cb -0.07 0.36 0.01 0.00 -1.74 0.00 0.00 68.15 66.71 3iss h THR 237 CO -0.09 0.29 -1.02 -0.26 0.37 0.00 0.00 175.52 174.81 3iss h PHE 238 N 1.02 0.84 -0.89 3.16 0.04 -1.02 -0.85 116.94 119.23 3iss h PHE 238 Ca 0.25 -0.47 0.12 0.00 2.80 0.00 0.00 57.97 60.67 3iss h PHE 238 Cb 0.14 -0.09 -0.08 0.00 2.20 0.00 0.00 35.95 38.11 3iss h PHE 238 CO 0.01 1.30 0.52 -0.07 -0.60 0.00 0.00 178.31 179.47 3iss h LEU 239 N 0.31 0.73 -0.51 1.54 3.38 -1.04 -1.43 115.31 118.30 3iss h LEU 239 Ca -0.11 0.06 -0.17 0.00 0.09 0.00 0.00 57.88 57.75 3iss h LEU 239 Cb 1.66 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 42.33 3iss h LEU 239 CO 0.19 0.38 -0.62 0.58 0.09 0.00 0.00 178.44 179.06 3iss h VAL 240 N 0.82 1.35 -0.79 1.22 2.07 -0.93 -1.96 116.25 118.03 3iss h VAL 240 Ca 0.45 -1.94 0.05 0.00 0.82 0.00 0.00 66.70 66.07 3iss h VAL 240 Cb 0.48 1.93 -0.05 0.00 -1.52 0.00 0.00 31.29 32.14 3iss h VAL 240 CO -0.28 0.59 0.52 0.00 0.02 0.00 0.00 177.57 178.42 3iss h ALA 241 N 1.00 1.57 -0.00 1.67 0.00 -0.13 -1.71 119.26 121.66 3iss h ALA 241 Ca -0.01 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3iss h ALA 241 Cb 1.17 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.71 3iss h ALA 241 CO 0.11 0.33 -0.01 0.00 0.00 0.00 0.00 179.25 179.68 3iss h ALA 242 N 1.55 0.00 -0.22 0.00 0.00 -1.15 -3.07 119.26 116.38 3iss h ALA 242 Ca 0.33 -0.32 0.06 0.00 0.00 0.00 0.00 54.91 54.98 3iss h ALA 242 Cb 0.13 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3iss h ALA 242 CO -0.11 -0.17 0.17 0.00 0.00 0.00 0.00 179.25 179.14 3iss h ALA 243 N 0.36 2.15 0.00 0.00 0.00 -0.88 -1.84 119.26 119.06 3iss h ALA 243 Ca -0.00 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 3iss h ALA 243 Cb 0.65 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 3iss h ALA 243 CO 0.00 -0.28 -1.12 -0.84 0.00 0.00 0.00 179.25 177.01 3iss h ILE 244 N 0.00 0.19 -0.59 0.00 3.07 -1.39 -3.32 117.51 115.46 3iss h ILE 244 Ca 0.11 -1.37 0.00 0.00 1.55 0.00 0.00 64.86 65.14 3iss h ILE 244 Cb 0.44 1.71 0.00 0.00 -0.27 0.00 0.00 36.82 38.71 3iss h ILE 244 CO -0.00 0.11 0.00 -1.54 -1.05 0.00 0.00 178.15 175.67 3iss n SER 245 N -2.77 3.37 -3.36 2.16 3.41 -0.74 -4.94 113.62 110.74 3iss n SER 245 Ca -0.03 -1.99 -0.16 0.00 -0.26 0.00 0.00 58.87 56.42 3iss n SER 245 Cb 0.66 -0.39 0.09 0.00 -0.26 0.00 0.00 64.21 64.30 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 1.35 -6.38 0.00 4.33 1.74 -0.96 -4.51 116.66 112.23 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 0.54 -5.77 0.00 0.00 -1.02 0.00 0.00 32.46 26.21 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 -1.13 5.52 3.36 -0.13 0.00 -0.89 -4.14 105.19 107.78 3iss n GLY 247 Ca -0.28 -1.40 -0.12 0.00 0.00 0.00 0.00 46.02 44.23 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 1.64 0.52 0.18 1.61 -2.85 -1.24 -1.42 119.74 118.18 3iss s LYS 248 Ca 0.00 0.74 -0.23 0.00 -1.00 0.00 0.00 55.97 55.48 3iss s LYS 248 Cb 0.00 0.17 0.06 0.00 -2.06 0.00 0.00 37.83 36.00 3iss s LYS 248 CO 0.00 -0.10 0.69 0.96 0.10 0.00 0.00 175.35 177.00 3iss s ILE 249 N 0.71 0.00 -0.11 3.79 -0.00 -0.34 -1.86 121.20 123.39 3iss s ILE 249 Ca -0.04 -0.36 0.03 0.00 -0.00 0.00 0.00 60.65 60.28 3iss s ILE 249 Cb -0.05 -1.38 -0.00 0.00 -0.00 0.00 0.00 42.46 41.02 3iss s ILE 249 CO -0.05 0.00 -0.22 -0.63 -0.00 0.00 0.00 174.94 174.04 3iss s ILE 250 N -3.72 2.21 -0.24 8.37 -1.09 -0.67 -1.52 121.20 124.55 3iss s ILE 250 Ca 0.05 -0.96 -0.08 0.00 -2.23 0.00 0.00 60.65 57.43 3iss s ILE 250 Cb -0.03 -1.86 -0.04 0.00 -1.58 0.00 0.00 42.46 38.96 3iss s ILE 250 CO -0.05 0.55 0.10 0.00 -1.23 0.00 0.00 174.94 174.31 3iss s ARG 252 N 1.30 3.25 -1.13 0.00 1.81 0.41 -1.94 118.95 122.65 3iss s ARG 252 Ca 0.06 -0.59 -0.03 0.00 -1.72 0.00 0.00 55.73 53.45 3iss s ARG 252 Cb -0.15 -2.90 0.00 0.00 -0.45 0.00 0.00 34.95 31.45 3iss s ARG 252 CO 0.05 0.56 0.96 0.09 -0.68 0.00 0.00 175.30 176.28 3iss n ASN 253 N 0.04 -3.43 -4.91 0.23 3.02 -0.67 -0.69 115.26 108.84 3iss n ASN 253 Ca -0.07 -0.53 -0.20 0.00 -0.03 0.00 0.00 54.58 53.75 3iss n ASN 253 Cb 0.52 -4.62 -0.02 0.00 -0.61 0.00 0.00 39.78 35.05 3iss n ASN 253 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3iss s ALA 254 N -3.31 4.20 -0.44 5.41 0.00 -0.13 -4.43 121.76 123.06 3iss s ALA 254 Ca 0.19 -1.83 0.03 0.00 0.00 0.00 0.00 51.96 50.35 3iss s ALA 254 Cb -0.08 -1.13 0.16 0.00 0.00 0.00 0.00 23.12 22.07 3iss s ALA 254 CO 0.65 -0.28 0.32 -1.14 0.00 0.00 0.00 175.76 175.32 3iss s GLN 255 N -4.20 1.06 0.40 0.00 0.74 -1.26 -4.29 119.66 112.10 3iss s GLN 255 Ca 0.49 -2.10 0.16 0.00 0.05 0.00 0.00 55.36 53.96 3iss s GLN 255 Cb -0.04 -1.73 1.03 0.00 1.10 0.00 0.00 33.01 33.37 3iss s GLN 255 CO 0.29 -1.32 1.83 -1.35 -0.55 0.00 0.00 175.29 174.19 3iss h PRO 256 N 5.98 0.46 0.00 1.67 0.11 -1.88 -1.23 132.00 137.11 3iss h PRO 256 Ca 0.19 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.27 3iss h PRO 256 Cb 0.90 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.91 3iss h PRO 256 CO 0.40 0.30 0.00 -0.40 -0.21 0.00 0.00 178.00 178.09 3iss n ASP 257 N -4.57 0.00 0.01 -2.05 5.68 -1.26 -1.26 116.55 113.10 3iss n ASP 257 Ca 0.21 -0.02 0.11 0.00 -0.50 0.00 0.00 54.79 54.59 3iss n ASP 257 Cb 0.71 -0.11 0.09 0.00 -1.14 0.00 0.00 41.12 40.67 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 -1.11 0.06 -2.04 2.12 -1.04 -0.46 -4.45 114.28 107.35 3iss n THR 258 Ca 0.03 -0.08 0.02 0.00 -2.04 0.00 0.00 64.05 61.99 3iss n THR 258 Cb 0.03 0.41 0.12 0.00 -1.82 0.00 0.00 70.33 69.07 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 -1.65 2.20 0.13 -4.42 4.77 -0.39 -4.90 117.00 112.74 3iss n LEU 259 Ca 0.04 -3.23 -0.14 0.00 -0.03 0.00 0.00 56.01 52.65 3iss n LEU 259 Cb 0.37 -0.26 -0.07 0.00 -2.33 0.00 0.00 43.42 41.12 3iss n LEU 259 CO 0.39 1.11 0.60 0.44 -1.33 0.00 0.00 177.39 178.59 3iss h ASP 260 N 1.20 -1.18 -0.43 -1.43 3.32 -1.78 -0.58 116.42 115.53 3iss h ASP 260 Ca -0.06 0.13 0.06 0.00 0.02 0.00 0.00 57.03 57.17 3iss h ASP 260 Cb 1.39 0.44 -0.05 0.00 0.22 0.00 0.00 39.33 41.33 3iss h ASP 260 CO 0.11 -0.49 0.14 0.00 -1.72 0.00 0.00 179.24 177.29 3iss h ALA 261 N -0.17 0.51 -0.66 3.45 0.00 -1.90 -0.83 119.26 119.65 3iss h ALA 261 Ca 0.02 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 3iss h ALA 261 Cb 0.67 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 3iss h ALA 261 CO -0.22 -0.25 0.19 0.28 0.00 0.00 0.00 179.25 179.25 3iss h VAL 262 N 0.30 1.25 -0.46 0.00 2.07 -1.83 -1.83 116.25 115.76 3iss h VAL 262 Ca 0.20 -0.89 -0.12 0.00 0.82 0.00 0.00 66.70 66.71 3iss h VAL 262 Cb 0.21 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 3iss h VAL 262 CO -0.22 0.34 -0.19 -0.07 0.02 0.00 0.00 177.57 177.45 3iss h LEU 263 N 0.97 0.97 -0.93 2.57 3.38 -0.68 -1.30 115.31 120.29 3iss h LEU 263 Ca 0.21 -0.39 0.07 0.00 0.09 0.00 0.00 57.88 57.86 3iss h LEU 263 Cb 0.32 -0.27 -0.07 0.00 0.09 0.00 0.00 40.66 40.74 3iss h LEU 263 CO -0.00 1.14 0.59 0.00 0.09 0.00 0.00 178.44 180.25 3iss h ALA 264 N 0.86 1.29 -0.16 1.53 0.00 -0.93 -1.78 119.26 120.07 3iss h ALA 264 Ca 0.11 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.84 3iss h ALA 264 Cb 0.76 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3iss h ALA 264 CO 0.06 0.35 -0.57 -0.22 0.00 0.00 0.00 179.25 178.87 3iss h LYS 265 N 1.06 0.50 -0.60 0.00 1.63 -0.99 -2.15 116.57 116.02 3iss h LYS 265 Ca 0.41 -0.32 -0.08 0.00 -0.85 0.00 0.00 60.65 59.80 3iss h LYS 265 Cb 0.18 0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 31.83 3iss h LYS 265 CO -0.18 0.93 0.05 -0.07 -3.45 0.00 0.00 179.45 176.73 3iss h LEU 266 N 0.38 0.96 -0.46 5.20 3.38 -0.75 -0.85 115.31 123.17 3iss h LEU 266 Ca 0.00 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.73 3iss h LEU 266 Cb 1.10 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.58 3iss h LEU 266 CO 0.10 0.99 0.28 0.03 0.09 0.00 0.00 178.44 179.93 3iss h ARG 267 N 0.93 0.62 -0.12 1.13 3.08 -1.11 -0.67 114.38 118.24 3iss h ARG 267 Ca 0.18 -0.06 0.04 0.00 0.07 0.00 0.00 59.98 60.21 3iss h ARG 267 Cb 0.47 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.38 3iss h ARG 267 CO 0.02 0.45 0.10 -0.44 -1.07 0.00 0.00 179.97 179.03 3iss h ASP 268 N 0.61 0.00 0.48 7.04 3.32 -0.94 0.51 116.42 127.44 3iss h ASP 268 Ca 0.16 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.21 3iss h ASP 268 Cb -0.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.54 3iss h ASP 268 CO -0.03 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.49 3iss n ALA 269 N -2.46 2.51 0.00 3.45 0.00 -0.33 -4.72 120.51 118.97 3iss n ALA 269 Ca -0.00 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.29 3iss n ALA 269 Cb 0.22 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 18.18 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 1.23 1.11 3.87 0.00 0.00 0.18 0.06 105.19 111.63 3iss n GLY 270 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 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 3.39 -0.42 4.61 0.00 -0.78 -4.89 121.76 121.68 3iss s ALA 271 Ca 0.00 -0.13 -0.12 0.00 0.00 0.00 0.00 51.96 51.70 3iss s ALA 271 Cb 0.00 -2.66 0.05 0.00 0.00 0.00 0.00 23.12 20.52 3iss s ALA 271 CO 0.00 0.25 0.29 0.34 0.00 0.00 0.00 175.76 176.64 3iss s ASP 272 N -2.63 5.89 -0.10 0.00 2.15 -0.27 -4.44 116.67 117.27 3iss s ASP 272 Ca 0.51 -1.19 0.02 0.00 0.43 0.00 0.00 52.55 52.33 3iss s ASP 272 Cb -0.10 -2.08 -0.01 0.00 -0.30 0.00 0.00 42.92 40.42 3iss s ASP 272 CO 0.23 -0.50 -0.18 -0.63 -0.17 0.00 0.00 175.17 173.92 3iss s ILE 273 N 1.57 2.60 0.22 4.11 1.01 -1.26 -0.71 121.20 128.73 3iss s ILE 273 Ca 0.03 -0.84 0.08 0.00 0.00 0.00 0.00 60.65 59.92 3iss s ILE 273 Cb -0.21 -2.04 -0.05 0.00 0.01 0.00 0.00 42.46 40.17 3iss s ILE 273 CO 0.06 0.55 -0.13 -1.61 0.00 0.00 0.00 174.94 173.81 3iss s GLU 274 N 0.18 1.38 0.01 2.79 2.02 -0.64 -4.97 118.70 119.46 3iss s GLU 274 Ca -0.11 -1.63 0.00 0.00 0.02 0.00 0.00 54.97 53.26 3iss s GLU 274 Cb -0.16 -1.15 -0.01 0.00 0.10 0.00 0.00 34.13 32.92 3iss s GLU 274 CO 0.06 0.17 -0.01 0.14 0.02 0.00 0.00 175.26 175.63 3iss s VAL 275 N -2.97 0.07 0.00 2.63 -7.23 -1.26 0.16 120.40 111.81 3iss s VAL 275 Ca 0.24 -0.31 0.00 0.00 -1.81 0.00 0.00 61.98 60.10 3iss s VAL 275 Cb -0.00 -0.12 0.00 0.00 0.56 0.00 0.00 36.38 36.82 3iss s VAL 275 CO 0.08 -0.15 0.00 0.61 -0.31 0.00 0.00 175.10 175.33 3iss n GLY 276 N 2.60 1.66 0.12 2.32 0.00 0.92 -4.96 105.19 107.85 3iss n GLY 276 Ca -0.16 -1.84 0.10 0.00 0.00 0.00 0.00 46.02 44.12 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 -3.40 114.58 115.58 3iss h GLU 277 Ca 0.00 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.11 3iss h GLU 277 Cb 0.00 0.00 -0.22 0.00 0.63 0.00 0.00 28.75 29.16 3iss h GLU 277 CO 0.00 0.04 -0.65 -0.40 -0.73 0.00 0.00 179.01 177.27 3iss n ASP 278 N -2.73 0.21 -3.92 1.04 5.75 -1.26 -4.71 116.55 110.94 3iss n ASP 278 Ca -0.01 -1.90 -0.09 0.00 -0.01 0.00 0.00 54.79 52.77 3iss n ASP 278 Cb 0.59 -0.10 -0.09 0.00 -1.03 0.00 0.00 41.12 40.49 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 0.21 -0.01 2.11 1.48 -1.26 -0.96 118.94 120.51 3iss s TRP 279 Ca 0.16 -0.56 0.03 0.00 -1.06 0.00 0.00 56.10 54.67 3iss s TRP 279 Cb 0.18 -0.14 -0.00 0.00 -1.16 0.00 0.00 33.47 32.35 3iss s TRP 279 CO -0.08 -0.42 -0.09 0.42 -4.06 0.00 0.00 176.95 172.72 3iss s ILE 280 N -3.05 0.74 0.11 0.66 1.01 -0.82 -0.05 121.20 119.80 3iss s ILE 280 Ca -0.01 -0.37 0.11 0.00 0.00 0.00 0.00 60.65 60.37 3iss s ILE 280 Cb 0.01 -0.64 -0.04 0.00 0.01 0.00 0.00 42.46 41.81 3iss s ILE 280 CO -0.07 0.22 -0.26 -0.94 0.00 0.00 0.00 174.94 173.89 3iss s SER 281 N -0.04 3.32 -0.08 3.58 1.04 0.44 -0.54 113.70 121.42 3iss s SER 281 Ca 0.01 -0.71 -0.04 0.00 0.48 0.00 0.00 55.95 55.69 3iss s SER 281 Cb -0.06 -0.25 0.04 0.00 0.10 0.00 0.00 66.02 65.86 3iss s SER 281 CO -0.00 0.19 0.17 -0.22 0.98 0.00 0.00 173.24 174.37 3iss s LEU 282 N -1.92 0.64 -0.05 2.42 0.20 -0.57 -1.62 118.68 117.79 3iss s LEU 282 Ca 0.14 0.36 0.02 0.00 0.69 0.00 0.00 54.13 55.34 3iss s LEU 282 Cb -0.10 0.47 0.02 0.00 -0.43 0.00 0.00 46.19 46.14 3iss s LEU 282 CO 0.05 -0.15 -0.07 -0.62 -0.29 0.00 0.00 176.35 175.27 3iss s ASP 283 N 1.18 1.19 0.02 3.68 -1.08 0.11 -1.20 116.67 120.57 3iss s ASP 283 Ca -0.09 -0.18 0.22 0.00 -0.52 0.00 0.00 52.55 51.98 3iss s ASP 283 Cb -0.11 -0.54 -0.03 0.00 -1.46 0.00 0.00 42.92 40.78 3iss s ASP 283 CO -0.07 -0.01 0.98 0.23 0.52 0.00 0.00 175.17 176.82 3iss n MET 284 N 3.86 0.19 -3.86 4.34 2.81 -0.50 -1.11 117.12 122.84 3iss n MET 284 Ca -0.24 -0.02 -0.27 0.00 -1.81 0.00 0.00 57.70 55.36 3iss n MET 284 Cb 0.52 -1.54 0.02 0.00 -0.71 0.00 0.00 33.22 31.51 3iss n MET 284 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 3iss n HIS 285 N -1.77 -2.11 -0.73 2.03 8.25 -1.26 -0.94 115.22 118.68 3iss n HIS 285 Ca 0.03 0.87 0.00 0.00 -0.26 0.00 0.00 57.72 58.36 3iss n HIS 285 Cb 0.40 -4.06 0.00 0.00 1.12 0.00 0.00 29.99 27.45 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 -1.67 0.67 3.82 -1.41 0.00 -1.26 -4.98 105.19 100.36 3iss n GLY 286 Ca -0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.39 4.22 0.16 1.61 -0.14 -0.12 -4.95 119.74 120.13 3iss s LYS 287 Ca 0.00 1.12 -0.27 0.00 -1.36 0.00 0.00 55.97 55.46 3iss s LYS 287 Cb 0.00 -2.18 -0.08 0.00 -1.68 0.00 0.00 37.83 33.90 3iss s LYS 287 CO 0.00 -0.04 0.84 0.50 -0.76 0.00 0.00 175.35 175.89 3iss s ARG 288 N -3.20 4.65 0.63 1.68 3.52 -1.26 -4.50 118.95 120.46 3iss s ARG 288 Ca 0.62 1.27 -0.18 0.00 -0.13 0.00 0.00 55.73 57.31 3iss s ARG 288 Cb -0.09 -3.30 -0.02 0.00 -1.56 0.00 0.00 34.95 29.98 3iss s ARG 288 CO 0.14 0.46 1.20 -1.25 -0.81 0.00 0.00 175.30 175.04 3iss s PRO 289 N -0.82 2.78 -0.07 5.12 0.04 -1.26 -4.82 135.00 135.97 3iss s PRO 289 Ca 0.39 1.78 -0.11 0.00 0.04 0.00 0.00 61.00 63.10 3iss s PRO 289 Cb -0.23 -1.91 -0.05 0.00 0.04 0.00 0.00 34.50 32.35 3iss s PRO 289 CO 0.28 -1.34 0.27 0.15 0.04 0.00 0.00 177.00 176.39 3iss s LYS 290 N -3.52 3.70 0.36 4.56 -0.14 0.11 -1.03 119.74 123.78 3iss s LYS 290 Ca 0.76 0.13 -0.27 0.00 -1.36 0.00 0.00 55.97 55.23 3iss s LYS 290 Cb -0.29 -3.22 -0.12 0.00 -1.68 0.00 0.00 37.83 32.52 3iss s LYS 290 CO 0.36 0.71 1.17 0.00 -0.76 0.00 0.00 175.35 176.83 3iss n ALA 291 N 2.00 0.73 -2.38 5.17 0.00 -0.56 -4.33 120.51 121.14 3iss n ALA 291 Ca -0.17 0.32 -0.19 0.00 0.00 0.00 0.00 53.44 53.40 3iss n ALA 291 Cb 0.54 -2.17 -0.10 0.00 0.00 0.00 0.00 19.45 17.71 3iss n ALA 291 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3iss s VAL 292 N -1.14 1.25 -0.10 0.00 -7.23 -1.26 -4.87 120.40 107.05 3iss s VAL 292 Ca 0.59 -2.06 0.02 0.00 -1.81 0.00 0.00 61.98 58.72 3iss s VAL 292 Cb -0.58 -2.43 -0.01 0.00 0.56 0.00 0.00 36.38 33.91 3iss s VAL 292 CO 0.60 -0.28 -0.17 0.20 -0.31 0.00 0.00 175.10 175.14 3iss s ASN 293 N -3.37 3.70 0.02 4.85 0.02 -1.26 -3.44 114.94 115.46 3iss s ASN 293 Ca 0.30 -0.37 0.03 0.00 -1.02 0.00 0.00 52.86 51.79 3iss s ASN 293 Cb 0.05 -1.32 -0.02 0.00 0.02 0.00 0.00 41.25 39.99 3iss s ASN 293 CO 0.10 0.21 -0.10 -0.69 0.02 0.00 0.00 177.10 176.64 3iss s VAL 294 N 0.07 0.77 -0.15 1.60 1.01 -0.38 -4.99 120.40 118.34 3iss s VAL 294 Ca -0.07 -0.74 -0.01 0.00 0.00 0.00 0.00 61.98 61.16 3iss s VAL 294 Cb -0.15 -0.71 0.04 0.00 0.00 0.00 0.00 36.38 35.56 3iss s VAL 294 CO 0.05 -0.01 -0.04 -0.60 0.00 0.00 0.00 175.10 174.50 3iss s ARG 295 N -0.83 1.30 0.50 2.72 3.52 -1.26 -0.26 118.95 124.63 3iss s ARG 295 Ca -0.00 -0.39 -0.20 0.00 -0.13 0.00 0.00 55.73 55.00 3iss s ARG 295 Cb -0.06 -1.83 -0.08 0.00 -1.56 0.00 0.00 34.95 31.42 3iss s ARG 295 CO 0.00 -0.40 1.05 0.95 -0.81 0.00 0.00 175.30 176.09 3iss s THR 296 N 1.70 3.70 0.08 4.11 -4.23 -0.19 -4.35 115.64 116.46 3iss s THR 296 Ca 0.02 1.05 -0.27 0.00 -1.18 0.00 0.00 61.69 61.31 3iss s THR 296 Cb -0.15 -3.42 0.09 0.00 1.34 0.00 0.00 72.50 70.36 3iss s THR 296 CO -0.08 -0.24 1.15 0.00 -0.54 0.00 0.00 174.62 174.91 3iss s ALA 297 N -1.97 -1.97 0.61 3.99 0.00 -0.46 -3.57 121.76 118.38 3iss s ALA 297 Ca 0.68 0.19 -0.18 0.00 0.00 0.00 0.00 51.96 52.64 3iss s ALA 297 Cb -0.17 0.62 -0.02 0.00 0.00 0.00 0.00 23.12 23.54 3iss s ALA 297 CO 0.22 -1.07 1.20 -2.14 0.00 0.00 0.00 175.76 173.96 3iss s PRO 298 N -2.50 2.87 0.35 0.00 0.02 -1.26 -4.33 135.00 130.13 3iss s PRO 298 Ca 0.18 1.78 -0.25 0.00 0.02 0.00 0.00 61.00 62.73 3iss s PRO 298 Cb 0.01 -1.92 -0.13 0.00 0.02 0.00 0.00 34.50 32.47 3iss s PRO 298 CO 0.00 -1.28 0.78 1.58 -0.33 0.00 0.00 177.00 177.75 3iss n HIS 299 N -1.78 0.38 -0.29 6.54 -0.00 -1.26 -2.02 115.22 116.78 3iss n HIS 299 Ca 0.13 0.68 0.05 0.00 0.46 0.00 0.00 57.72 59.04 3iss n HIS 299 Cb 0.50 -2.11 0.28 0.00 -0.12 0.00 0.00 29.99 28.54 3iss n HIS 299 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 3iss n PRO 300 N 0.61 3.67 -1.04 1.57 -0.04 -1.26 -4.52 135.00 133.99 3iss n PRO 300 Ca 0.11 -2.17 -0.30 0.00 -0.04 0.00 0.00 63.50 61.10 3iss n PRO 300 Cb 0.35 -2.02 0.23 0.00 -0.04 0.00 0.00 33.50 32.02 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 -2.20 0.55 0.16 0.55 0.00 -0.86 -4.34 121.76 115.62 3iss s ALA 301 Ca 0.38 -0.73 -0.31 0.00 0.00 0.00 0.00 51.96 51.29 3iss s ALA 301 Cb 0.29 -2.97 -0.11 0.00 0.00 0.00 0.00 23.12 20.32 3iss s ALA 301 CO 0.11 -3.45 1.76 0.12 0.00 0.00 0.00 175.76 174.31 3iss s PHE 302 N -2.93 2.51 0.13 0.00 2.19 -1.26 -4.79 117.98 113.84 3iss s PHE 302 Ca 0.69 0.17 -0.30 0.00 0.33 0.00 0.00 56.93 57.82 3iss s PHE 302 Cb -0.13 -4.14 -0.06 0.00 -1.31 0.00 0.00 43.02 37.37 3iss s PHE 302 CO 0.57 -4.52 1.00 -1.25 1.83 0.00 0.00 175.22 172.84 3iss s PRO 303 N 2.02 4.68 0.52 10.12 0.05 -1.26 -1.36 135.00 149.77 3iss s PRO 303 Ca 0.78 1.52 0.23 0.00 0.05 0.00 0.00 61.00 63.58 3iss s PRO 303 Cb -0.47 -3.35 1.34 0.00 0.05 0.00 0.00 34.50 32.07 3iss s PRO 303 CO 0.34 0.19 2.00 0.00 0.05 0.00 0.00 177.00 179.58 3iss h THR 304 N 3.94 0.77 0.00 1.26 1.03 -1.93 -0.81 112.91 117.18 3iss h THR 304 Ca -0.43 -0.02 0.00 0.00 -0.01 0.00 0.00 66.41 65.95 3iss h THR 304 Cb 1.21 0.72 0.00 0.00 -1.07 0.00 0.00 68.15 69.01 3iss h THR 304 CO 0.72 0.01 0.00 0.47 -0.01 0.00 0.00 175.52 176.71 3iss n ASP 305 N -4.40 0.00 -0.29 0.00 8.00 -1.26 -1.51 116.55 117.08 3iss n ASP 305 Ca 0.09 0.03 0.04 0.00 0.71 0.00 0.00 54.79 55.66 3iss n ASP 305 Cb 0.54 -0.26 0.02 0.00 -0.02 0.00 0.00 41.12 41.40 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 -1.26 1.13 -0.15 -1.24 2.81 -0.31 -4.78 117.12 113.31 3iss n MET 306 Ca 0.07 -0.83 -0.08 0.00 -1.81 0.00 0.00 57.70 55.05 3iss n MET 306 Cb 0.12 -1.12 0.00 0.00 -0.71 0.00 0.00 33.22 31.51 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 1.44 0.63 -0.52 0.03 -0.00 -1.28 -2.21 115.11 113.20 3iss h GLN 307 Ca 0.00 -0.09 -0.07 0.00 -0.00 0.00 0.00 58.65 58.49 3iss h GLN 307 Cb 0.35 -0.12 -0.02 0.00 0.00 0.00 0.00 27.48 27.69 3iss h GLN 307 CO 0.00 0.53 0.03 0.00 0.00 0.00 0.00 178.83 179.39 3iss h ALA 308 N 1.07 1.08 -0.62 3.38 0.00 -1.86 -1.09 119.26 121.21 3iss h ALA 308 Ca 0.15 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 3iss h ALA 308 Cb 0.09 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 3iss h ALA 308 CO -0.02 0.59 0.24 1.96 0.00 0.00 0.00 179.25 182.01 3iss h GLN 309 N 0.80 0.94 0.00 0.00 7.50 -1.79 -1.70 115.11 120.86 3iss h GLN 309 Ca 0.16 -0.18 -0.03 0.00 0.50 0.00 0.00 58.65 59.10 3iss h GLN 309 Cb 0.44 -0.15 -0.00 0.00 0.05 0.00 0.00 27.48 27.81 3iss h GLN 309 CO 0.02 0.80 -0.13 0.74 -1.50 0.00 0.00 178.83 178.76 3iss h PHE 310 N 0.87 0.00 -0.59 2.96 -1.00 -1.16 -1.84 116.94 116.17 3iss h PHE 310 Ca 0.21 0.00 -0.09 0.00 2.81 0.00 0.00 57.97 60.89 3iss h PHE 310 Cb 0.23 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.76 3iss h PHE 310 CO 0.01 0.13 0.01 1.15 -1.61 0.00 0.00 178.31 178.00 3iss h THR 311 N 0.00 1.27 -0.43 -1.55 2.02 -0.66 -1.55 112.91 112.00 3iss h THR 311 Ca -0.00 -1.13 -0.06 0.00 0.77 0.00 0.00 66.41 65.98 3iss h THR 311 Cb 0.86 0.81 -0.02 0.00 -1.74 0.00 0.00 68.15 68.07 3iss h THR 311 CO 0.02 0.41 0.03 0.25 0.37 0.00 0.00 175.52 176.60 3iss h LEU 312 N 0.94 0.72 0.14 2.58 5.85 -0.74 -1.80 115.31 122.99 3iss h LEU 312 Ca 0.17 -0.29 0.02 0.00 0.84 0.00 0.00 57.88 58.62 3iss h LEU 312 Cb 0.54 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.35 3iss h LEU 312 CO 0.03 0.83 -0.29 0.25 -0.34 0.00 0.00 178.44 178.91 3iss h LEU 313 N 0.59 -0.84 -1.79 2.25 6.46 -1.15 -0.16 115.31 120.67 3iss h LEU 313 Ca 0.13 0.09 0.14 0.00 -0.12 0.00 0.00 57.88 58.13 3iss h LEU 313 Cb 0.44 0.31 -0.03 0.00 -0.73 0.00 0.00 40.66 40.65 3iss h LEU 313 CO 0.02 -0.39 0.43 0.78 -0.62 0.00 0.00 178.44 178.66 3iss h ASN 314 N -0.52 0.20 1.25 1.25 2.35 -1.16 -1.58 115.58 117.37 3iss h ASN 314 Ca 0.03 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 3iss h ASN 314 Cb 0.54 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.88 3iss h ASN 314 CO -0.16 0.11 0.00 -0.07 -1.65 0.00 0.00 177.43 175.66 3iss h LEU 315 N 0.22 0.00 -3.01 1.61 3.38 -0.13 -2.56 115.31 114.81 3iss h LEU 315 Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 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 -0.06 0.00 0.00 1.33 0.09 0.00 0.00 178.44 179.80 3iss n VAL 316 N -2.34 1.54 -2.76 1.22 0.24 -0.66 -0.66 118.33 114.90 3iss n VAL 316 Ca 0.04 -1.71 -0.21 0.00 -2.04 0.00 0.00 64.34 60.43 3iss n VAL 316 Cb 0.37 0.07 0.06 0.00 -1.47 0.00 0.00 33.84 32.87 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 -2.08 4.11 -0.38 2.33 0.00 -0.79 -4.70 121.76 120.24 3iss s ALA 317 Ca 0.20 -1.68 -0.25 0.00 0.00 0.00 0.00 51.96 50.24 3iss s ALA 317 Cb 0.17 -1.86 0.01 0.00 0.00 0.00 0.00 23.12 21.45 3iss s ALA 317 CO 0.03 -0.92 0.86 -2.00 0.00 0.00 0.00 175.76 173.73 3iss s GLU 318 N -4.80 3.76 0.00 0.00 2.12 -0.20 -4.04 118.70 115.54 3iss s GLU 318 Ca 0.61 0.41 0.00 0.00 0.36 0.00 0.00 54.97 56.35 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 0.40 -0.94 0.00 0.41 -0.54 0.00 0.00 175.26 174.59 3iss n GLY 319 N 4.51 -1.38 3.36 -1.50 0.00 -1.26 -1.50 105.19 107.42 3iss n GLY 319 Ca 0.05 -2.08 -0.32 0.00 0.00 0.00 0.00 46.02 43.67 3iss n GLY 319 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3iss s THR 320 N 0.00 2.71 0.03 2.61 2.01 -1.26 -1.61 115.64 120.13 3iss s THR 320 Ca 0.00 -0.81 0.00 0.00 0.31 0.00 0.00 61.69 61.19 3iss s THR 320 Cb 0.00 -2.08 -0.02 0.00 0.01 0.00 0.00 72.50 70.41 3iss s THR 320 CO 0.00 0.56 -0.04 -0.83 -0.69 0.00 0.00 174.62 173.62 3iss s GLY 321 N -0.06 0.34 0.17 4.40 0.00 -0.90 -4.75 107.32 106.53 3iss s GLY 321 Ca -0.04 -0.73 0.11 0.00 0.00 0.00 0.00 44.72 44.06 3iss s GLY 321 CO 0.04 -0.80 -0.21 -0.11 0.00 0.00 0.00 173.10 172.02 3iss s PHE 322 N -1.81 2.39 -0.14 1.90 -0.71 -1.22 -0.65 117.98 117.74 3iss s PHE 322 Ca -0.11 -0.32 -0.00 0.00 -1.04 0.00 0.00 56.93 55.45 3iss s PHE 322 Cb -0.07 -1.21 0.03 0.00 -1.21 0.00 0.00 43.02 40.56 3iss s PHE 322 CO -0.02 0.47 -0.07 0.42 -1.34 0.00 0.00 175.22 174.67 3iss s ILE 323 N -1.52 1.14 -0.15 -4.49 1.01 -0.45 -1.25 121.20 115.48 3iss s ILE 323 Ca 0.20 -0.48 -0.05 0.00 0.00 0.00 0.00 60.65 60.32 3iss s ILE 323 Cb -0.09 -1.21 -0.03 0.00 0.01 0.00 0.00 42.46 41.14 3iss s ILE 323 CO 0.10 0.28 0.01 -0.89 0.00 0.00 0.00 174.94 174.44 3iss s THR 324 N 1.65 4.32 -0.26 2.92 2.01 0.64 -1.27 115.64 125.64 3iss s THR 324 Ca 0.03 -0.21 -0.06 0.00 0.31 0.00 0.00 61.69 61.76 3iss s THR 324 Cb -0.14 -2.90 -0.01 0.00 0.01 0.00 0.00 72.50 69.47 3iss s THR 324 CO -0.08 0.51 0.05 -0.70 -0.69 0.00 0.00 174.62 173.70 3iss s GLU 325 N 0.08 3.38 0.00 4.92 2.56 -0.52 -1.02 118.70 128.10 3iss s GLU 325 Ca 0.02 -0.65 0.13 0.00 0.00 0.00 0.00 54.97 54.47 3iss s GLU 325 Cb -0.13 -3.26 0.08 0.00 2.00 0.00 0.00 34.13 32.82 3iss s GLU 325 CO 0.02 -0.28 0.88 0.25 -0.56 0.00 0.00 175.26 175.56 3iss n THR 326 N 4.87 0.00 -0.12 -1.70 -2.24 -1.23 -4.57 114.28 109.28 3iss n THR 326 Ca -0.16 -0.47 -0.23 0.00 -2.27 0.00 0.00 64.05 60.93 3iss n THR 326 Cb 0.50 1.25 -0.08 0.00 -2.10 0.00 0.00 70.33 69.90 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 0.53 1.52 -3.93 2.28 0.31 -1.26 -4.82 118.33 112.95 3iss n VAL 327 Ca 0.07 -0.20 -0.30 0.00 -0.01 0.00 0.00 64.34 63.90 3iss n VAL 327 Cb 0.32 -2.04 -0.14 0.00 -0.91 0.00 0.00 33.84 31.07 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 -2.61 3.15 -0.72 3.52 0.08 -1.26 -5.01 117.98 115.13 3iss s PHE 328 Ca -0.35 -2.95 0.17 0.00 0.12 0.00 0.00 56.93 53.92 3iss s PHE 328 Cb 0.11 -2.68 0.74 0.00 -0.57 0.00 0.00 43.02 40.61 3iss s PHE 328 CO 0.47 -0.83 1.52 0.39 -0.10 0.00 0.00 175.22 176.67 3iss n GLU 329 N 3.65 0.09 -0.74 0.44 1.02 -1.26 -2.16 120.64 121.68 3iss n GLU 329 Ca 0.05 0.39 -0.02 0.00 -0.02 0.00 0.00 57.16 57.56 3iss n GLU 329 Cb 0.36 -1.69 0.20 0.00 -0.02 0.00 0.00 31.44 30.30 3iss n GLU 329 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 3iss n ASN 330 N -1.85 2.44 -3.88 1.62 5.15 -1.22 -4.65 115.26 112.86 3iss n ASN 330 Ca 0.02 -3.74 -0.42 0.00 -0.60 0.00 0.00 54.58 49.84 3iss n ASN 330 Cb 0.16 -0.61 0.01 0.00 -0.53 0.00 0.00 39.78 38.80 3iss n ASN 330 CO 0.00 0.00 0.00 -1.14 1.40 0.00 0.00 177.26 177.52 3iss n ARG 331 N -1.10 4.03 -0.14 1.20 0.63 -0.92 -4.56 116.66 115.81 3iss n ARG 331 Ca 0.30 -3.91 0.01 0.00 -0.92 0.00 0.00 57.85 53.33 3iss n ARG 331 Cb 0.97 -2.75 0.01 0.00 0.45 0.00 0.00 32.46 31.14 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 2.74 0.00 0.15 -0.14 3.72 -1.26 -4.86 117.46 117.81 3iss n PHE 332 Ca 0.37 -0.13 0.18 0.00 -0.05 0.00 0.00 57.45 57.81 3iss n PHE 332 Cb 0.34 -0.03 0.78 0.00 -0.94 0.00 0.00 39.48 39.63 3iss n PHE 332 CO 0.00 0.00 0.00 0.52 -0.05 0.00 0.00 176.76 177.23 3iss h MET 333 N 0.00 0.00 0.00 -1.08 2.86 -1.96 -0.19 114.93 114.56 3iss h MET 333 Ca 0.00 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.59 3iss h MET 333 Cb 1.05 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.70 3iss h MET 333 CO 0.00 0.00 -0.23 1.12 1.06 0.00 0.00 176.91 178.86 3iss h HIS 334 N 0.00 0.00 0.60 -0.22 -0.00 -1.94 -3.25 115.15 110.34 3iss h HIS 334 Ca 0.13 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.48 3iss h HIS 334 Cb 0.66 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.06 3iss h HIS 334 CO 0.00 0.23 -0.42 0.28 -0.00 0.00 0.00 177.93 178.02 3iss h VAL 335 N 0.00 0.15 -0.63 6.12 2.07 -1.41 -0.19 116.25 122.36 3iss h VAL 335 Ca -0.00 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.59 3iss h VAL 335 Cb 0.42 0.15 -0.04 0.00 -1.52 0.00 0.00 31.29 30.30 3iss h VAL 335 CO 0.03 0.00 0.42 -0.65 0.02 0.00 0.00 177.57 177.39 3iss h PRO 336 N -0.99 0.56 -0.30 1.57 0.11 -1.72 -0.68 132.00 130.55 3iss h PRO 336 Ca -0.07 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.97 3iss h PRO 336 Cb 0.82 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.79 3iss h PRO 336 CO 0.04 0.37 0.06 0.93 -0.21 0.00 0.00 178.00 179.20 3iss h GLU 337 N 0.58 0.49 0.00 1.05 4.39 -1.51 -2.22 114.58 117.36 3iss h GLU 337 Ca 0.28 -0.12 -0.01 0.00 0.34 0.00 0.00 59.36 59.84 3iss h GLU 337 Cb 0.33 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 28.92 3iss h GLU 337 CO -0.08 0.58 -0.04 -0.07 -1.16 0.00 0.00 179.01 178.23 3iss h LEU 338 N 0.33 0.00 -1.28 1.33 3.38 -0.20 -0.68 115.31 118.18 3iss h LEU 338 Ca 0.09 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.99 3iss h LEU 338 Cb 0.31 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 3iss h LEU 338 CO 0.00 0.04 -0.28 0.28 0.09 0.00 0.00 178.44 178.58 3iss h SER 339 N 0.00 0.12 0.37 -0.43 0.02 -0.57 -0.60 113.55 112.46 3iss h SER 339 Ca -0.00 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 60.90 3iss h SER 339 Cb 0.08 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 62.58 3iss h SER 339 CO 0.01 0.41 -0.07 0.03 -1.14 0.00 0.00 176.83 176.07 3iss h ARG 340 N 0.11 0.00 -0.50 3.45 3.08 -0.65 -1.95 114.38 117.92 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 0.56 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.61 3iss h ARG 340 CO 0.04 0.07 0.00 -1.33 -1.07 0.00 0.00 179.97 177.68 3iss n MET 341 N -3.45 2.31 -0.14 0.04 2.81 -0.29 -4.81 117.12 113.60 3iss n MET 341 Ca -0.02 -2.02 0.00 0.00 -1.81 0.00 0.00 57.70 53.86 3iss n MET 341 Cb 0.20 -1.46 0.00 0.00 -0.71 0.00 0.00 33.22 31.26 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 1.41 0.76 3.76 3.03 0.00 -0.73 -0.33 105.19 113.08 3iss n GLY 342 Ca 0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 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 2.54 -0.33 4.61 0.00 -0.87 -4.96 121.76 120.62 3iss s ALA 343 Ca 0.00 0.89 -0.02 0.00 0.00 0.00 0.00 51.96 52.83 3iss s ALA 343 Cb 0.00 -3.41 0.07 0.00 0.00 0.00 0.00 23.12 19.78 3iss s ALA 343 CO 0.00 -1.13 0.05 -1.01 0.00 0.00 0.00 175.76 173.67 3iss s HIS 344 N -1.77 3.38 -0.00 0.00 0.09 -1.26 -4.49 115.29 111.24 3iss s HIS 344 Ca 0.75 -2.09 -0.13 0.00 -0.00 0.00 0.00 55.06 53.59 3iss s HIS 344 Cb -0.27 -2.44 0.02 0.00 -0.00 0.00 0.00 32.58 29.88 3iss s HIS 344 CO 0.33 -0.86 0.26 0.00 -0.00 0.00 0.00 174.74 174.48 3iss s ALA 345 N 1.20 -0.64 0.05 -1.40 0.00 -1.26 -1.40 121.76 118.32 3iss s ALA 345 Ca -0.01 0.15 0.05 0.00 0.00 0.00 0.00 51.96 52.16 3iss s ALA 345 Cb -0.20 0.12 -0.03 0.00 0.00 0.00 0.00 23.12 23.01 3iss s ALA 345 CO -0.02 -0.27 -0.15 -1.83 0.00 0.00 0.00 175.76 173.49 3iss s GLU 346 N -1.52 0.96 -0.28 0.00 1.03 -0.43 -4.98 118.70 113.48 3iss s GLU 346 Ca -0.13 -0.86 -0.07 0.00 0.03 0.00 0.00 54.97 53.94 3iss s GLU 346 Cb -0.05 -1.00 -0.00 0.00 -0.80 0.00 0.00 34.13 32.27 3iss s GLU 346 CO 0.02 0.24 0.07 0.42 -1.33 0.00 0.00 175.26 174.69 3iss s ILE 347 N -0.99 4.04 -0.35 1.83 1.01 -1.26 -0.07 121.20 125.41 3iss s ILE 347 Ca 0.02 -0.53 -0.03 0.00 0.00 0.00 0.00 60.65 60.10 3iss s ILE 347 Cb -0.09 -3.01 0.07 0.00 0.01 0.00 0.00 42.46 39.44 3iss s ILE 347 CO 0.02 0.17 0.10 -1.61 0.00 0.00 0.00 174.94 173.63 3iss s GLU 348 N 1.53 2.33 7.51 2.79 0.41 0.05 -4.98 118.70 128.35 3iss s GLU 348 Ca 0.04 -1.45 0.00 0.00 -0.41 0.00 0.00 54.97 53.15 3iss s GLU 348 Cb -0.16 -3.41 0.00 0.00 -1.78 0.00 0.00 34.13 28.78 3iss s GLU 348 CO 0.02 -0.80 0.00 0.45 -0.49 0.00 0.00 175.26 174.44 3iss n SER 349 N 4.66 0.00 -1.74 -0.19 2.88 -1.26 -1.54 113.62 116.44 3iss n SER 349 Ca -0.09 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.30 3iss n SER 349 Cb 0.43 0.00 0.18 0.00 -0.75 0.00 0.00 64.21 64.07 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 9.14 3.26 -4.04 -3.46 2.04 -1.26 -4.93 115.26 116.01 3iss n ASN 350 Ca 0.00 -3.71 -0.24 0.00 -0.44 0.00 0.00 54.58 50.20 3iss n ASN 350 Cb 0.00 -0.74 -0.16 0.00 -2.53 0.00 0.00 39.78 36.34 3iss n ASN 350 CO 0.00 0.00 0.00 -0.89 -0.44 0.00 0.00 177.26 175.93 3iss s THR 351 N -3.34 1.10 -0.21 5.53 2.01 -0.59 -1.44 115.64 118.69 3iss s THR 351 Ca 0.51 -0.49 -0.09 0.00 0.31 0.00 0.00 61.69 61.93 3iss s THR 351 Cb 0.45 -0.98 -0.05 0.00 0.01 0.00 0.00 72.50 71.93 3iss s THR 351 CO 0.05 0.34 0.12 0.54 -0.69 0.00 0.00 174.62 174.98 3iss s VAL 352 N 0.40 5.12 -0.31 3.82 0.11 -0.40 -0.77 120.40 128.38 3iss s VAL 352 Ca -0.09 0.09 -0.12 0.00 -2.93 0.00 0.00 61.98 58.93 3iss s VAL 352 Cb -0.13 -3.35 -0.03 0.00 -1.53 0.00 0.00 36.38 31.33 3iss s VAL 352 CO 0.02 0.40 0.23 -0.63 -3.33 0.00 0.00 175.10 171.79 3iss s ILE 353 N 0.73 5.29 -0.11 7.04 1.01 0.90 -1.34 121.20 134.72 3iss s ILE 353 Ca 0.06 -0.02 -0.02 0.00 0.00 0.00 0.00 60.65 60.67 3iss s ILE 353 Cb -0.13 -3.64 -0.03 0.00 0.01 0.00 0.00 42.46 38.67 3iss s ILE 353 CO 0.02 0.11 -0.01 0.00 0.00 0.00 0.00 174.94 175.05 3iss s HIS 355 N -0.41 3.52 0.11 0.00 3.76 -0.49 -2.11 115.29 119.67 3iss s HIS 355 Ca 0.07 -2.77 -0.35 0.00 -0.15 0.00 0.00 55.06 51.86 3iss s HIS 355 Cb -0.12 -2.64 -0.14 0.00 1.11 0.00 0.00 32.58 30.79 3iss s HIS 355 CO 0.02 -0.93 1.56 0.41 -0.85 0.00 0.00 174.74 174.96 3iss n GLY 356 N 4.33 1.02 3.90 -2.22 0.00 -0.63 -4.23 105.19 107.35 3iss n GLY 356 Ca -0.00 0.69 -0.20 0.00 0.00 0.00 0.00 46.02 46.50 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 1.18 3.51 0.06 1.61 -7.23 0.16 -4.70 120.40 115.00 3iss s VAL 357 Ca 0.82 -1.26 -0.17 0.00 -1.81 0.00 0.00 61.98 59.56 3iss s VAL 357 Cb -0.74 -3.20 -0.15 0.00 0.56 0.00 0.00 36.38 32.85 3iss s VAL 357 CO 0.41 -0.14 1.30 -0.08 -0.31 0.00 0.00 175.10 176.28 3iss h GLU 358 N 1.11 0.59 -2.22 4.82 4.22 -1.87 -3.38 114.58 117.85 3iss h GLU 358 Ca -0.44 -0.42 -0.07 0.00 0.08 0.00 0.00 59.36 58.51 3iss h GLU 358 Cb 1.26 0.07 -0.20 0.00 0.50 0.00 0.00 28.75 30.37 3iss h GLU 358 CO 0.56 1.04 0.06 -1.59 -2.18 0.00 0.00 179.01 176.91 3iss s LYS 359 N -3.90 0.88 0.44 1.92 -2.85 -1.26 -5.03 119.74 109.94 3iss s LYS 359 Ca -0.12 0.44 0.01 0.00 -1.00 0.00 0.00 55.97 55.29 3iss s LYS 359 Cb 0.07 0.42 -0.00 0.00 -2.06 0.00 0.00 37.83 36.25 3iss s LYS 359 CO 0.83 -0.22 0.65 -0.51 0.10 0.00 0.00 175.35 176.21 3iss s LEU 360 N -0.62 3.67 -0.06 2.77 1.43 -1.26 -4.96 118.68 119.65 3iss s LEU 360 Ca -0.07 0.23 0.05 0.00 -1.03 0.00 0.00 54.13 53.31 3iss s LEU 360 Cb -0.02 -3.11 -0.02 0.00 0.03 0.00 0.00 46.19 43.07 3iss s LEU 360 CO 0.06 -0.68 -0.20 -0.44 0.23 0.00 0.00 176.35 175.31 3iss s SER 361 N -4.22 3.47 0.60 2.29 0.01 0.55 -0.01 113.70 116.39 3iss s SER 361 Ca 0.48 -0.39 -0.20 0.00 1.31 0.00 0.00 55.95 57.16 3iss s SER 361 Cb -0.10 -0.88 -0.03 0.00 0.21 0.00 0.00 66.02 65.22 3iss s SER 361 CO 0.37 0.27 1.25 0.61 0.41 0.00 0.00 173.24 176.16 3iss n GLY 362 N 2.77 0.46 3.79 3.44 0.00 -0.87 -4.38 105.19 110.40 3iss n GLY 362 Ca -0.17 -0.08 -0.03 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.37 -1.60 -0.15 4.61 0.00 -1.15 -4.81 121.76 117.28 3iss s ALA 363 Ca 0.77 -0.05 -0.26 0.00 0.00 0.00 0.00 51.96 52.43 3iss s ALA 363 Cb -0.41 0.67 -0.02 0.00 0.00 0.00 0.00 23.12 23.37 3iss s ALA 363 CO 0.45 -1.05 0.84 -0.65 0.00 0.00 0.00 175.76 175.35 3iss s GLN 364 N -2.89 4.33 0.14 0.00 -0.21 -1.26 -2.33 119.66 117.44 3iss s GLN 364 Ca 0.15 1.05 0.03 0.00 0.02 0.00 0.00 55.36 56.62 3iss s GLN 364 Cb -0.02 -3.56 -0.04 0.00 1.00 0.00 0.00 33.01 30.39 3iss s GLN 364 CO 0.04 -0.28 -0.08 0.14 -2.12 0.00 0.00 175.29 172.99 3iss s VAL 365 N 1.97 0.97 -0.17 1.09 -7.23 0.25 -4.96 120.40 112.33 3iss s VAL 365 Ca 0.40 -2.01 0.01 0.00 -1.81 0.00 0.00 61.98 58.56 3iss s VAL 365 Cb -0.17 -1.85 0.02 0.00 0.56 0.00 0.00 36.38 34.95 3iss s VAL 365 CO 0.14 -0.74 -0.17 -0.32 -0.31 0.00 0.00 175.10 173.70 3iss s MET 366 N -3.80 2.68 0.40 4.82 1.75 -1.26 -0.40 119.30 123.49 3iss s MET 366 Ca 0.16 -0.76 -0.24 0.00 -1.25 0.00 0.00 55.69 53.61 3iss s MET 366 Cb 0.04 -2.42 -0.09 0.00 2.84 0.00 0.00 34.83 35.20 3iss s MET 366 CO -0.00 -0.24 1.06 0.00 -0.65 0.00 0.00 175.02 175.19 3iss s ALA 367 N 1.36 3.10 0.00 4.11 0.00 -0.88 -4.94 121.76 124.51 3iss s ALA 367 Ca 0.04 0.73 0.00 0.00 0.00 0.00 0.00 51.96 52.74 3iss s ALA 367 Cb -0.13 -3.28 0.00 0.00 0.00 0.00 0.00 23.12 19.70 3iss s ALA 367 CO -0.12 -0.25 0.00 0.25 0.00 0.00 0.00 175.76 175.65 3iss n THR 368 N -0.02 0.00 -5.20 0.00 -2.24 -1.26 -4.83 114.28 100.73 3iss n THR 368 Ca 0.05 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.52 3iss n THR 368 Cb 0.49 0.55 -0.17 0.00 -2.10 0.00 0.00 70.33 69.10 3iss n THR 368 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3iss s ASP 369 N 0.00 2.96 0.09 3.42 -1.08 -1.26 -5.02 116.67 115.77 3iss s ASP 369 Ca 0.00 -0.50 -0.17 0.00 -0.52 0.00 0.00 52.55 51.35 3iss s ASP 369 Cb 0.00 -0.91 -0.04 0.00 -1.46 0.00 0.00 42.92 40.51 3iss s ASP 369 CO 0.00 0.22 1.01 0.18 0.52 0.00 0.00 175.17 177.10 3iss n LEU 370 N 3.08 -0.60 -0.10 -1.34 4.77 -1.26 -2.90 117.00 118.65 3iss n LEU 370 Ca -0.18 1.15 -0.17 0.00 -0.03 0.00 0.00 56.01 56.78 3iss n LEU 370 Cb 0.52 -0.20 -0.08 0.00 -2.33 0.00 0.00 43.42 41.33 3iss n LEU 370 CO 0.26 -0.89 -1.16 0.54 -1.33 0.00 0.00 177.39 174.81 3iss n ARG 371 N -4.44 0.45 -0.10 3.23 5.12 -1.26 -4.37 116.66 115.29 3iss n ARG 371 Ca 0.01 0.15 0.05 0.00 -1.93 0.00 0.00 57.85 56.13 3iss n ARG 371 Cb 0.15 -1.30 0.38 0.00 -1.16 0.00 0.00 32.46 30.53 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 -0.36 1.71 0.00 7.54 0.00 -1.87 -2.53 119.26 123.76 3iss h ALA 372 Ca -0.47 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3iss h ALA 372 Cb 1.56 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.16 3iss h ALA 372 CO -0.19 0.22 0.00 0.43 0.00 0.00 0.00 179.25 179.71 3iss n SER 373 N -4.47 0.48 0.12 0.00 7.64 -1.14 -1.55 113.62 114.70 3iss n SER 373 Ca 0.07 0.61 0.18 0.00 1.01 0.00 0.00 58.87 60.74 3iss n SER 373 Cb 0.15 -0.71 0.76 0.00 -1.01 0.00 0.00 64.21 63.40 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 2.37 2.10 0.00 -0.43 0.00 -1.70 0.17 119.26 121.77 3iss h ALA 374 Ca 0.00 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 3iss h ALA 374 Cb 0.37 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3iss h ALA 374 CO 0.00 -0.46 -0.22 0.66 0.00 0.00 0.00 179.25 179.23 3iss h SER 375 N 0.00 0.00 -0.46 0.00 4.64 -1.50 -1.08 113.55 115.15 3iss h SER 375 Ca 0.16 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.38 3iss h SER 375 Cb 0.74 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.82 3iss h SER 375 CO -0.00 0.22 -0.08 -0.07 -0.87 0.00 0.00 176.83 176.03 3iss h LEU 376 N 0.00 0.86 -0.17 5.97 3.38 -0.86 0.14 115.31 124.62 3iss h LEU 376 Ca -0.00 -0.35 -0.01 0.00 0.09 0.00 0.00 57.88 57.61 3iss h LEU 376 Cb 0.45 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3iss h LEU 376 CO 0.03 1.00 0.08 0.58 0.09 0.00 0.00 178.44 180.22 3iss h VAL 377 N 0.70 1.13 -0.48 1.22 2.07 -1.38 -1.01 116.25 118.49 3iss h VAL 377 Ca 0.12 -0.39 0.08 0.00 0.82 0.00 0.00 66.70 67.34 3iss h VAL 377 Cb 0.61 1.08 -0.07 0.00 -1.52 0.00 0.00 31.29 31.39 3iss h VAL 377 CO 0.04 0.13 0.08 -0.07 0.02 0.00 0.00 177.57 177.77 3iss h LEU 378 N 0.14 -0.03 -0.77 2.57 4.07 -1.10 -1.80 115.31 118.40 3iss h LEU 378 Ca 0.06 0.09 0.08 0.00 0.08 0.00 0.00 57.88 58.18 3iss h LEU 378 Cb 0.13 0.13 -0.06 0.00 1.08 0.00 0.00 40.66 41.93 3iss h LEU 378 CO -0.01 0.01 0.44 0.00 -1.08 0.00 0.00 178.44 177.80 3iss h ALA 379 N 1.38 1.06 -0.93 1.53 0.00 -0.33 -1.24 119.26 120.74 3iss h ALA 379 Ca 0.24 0.02 0.11 0.00 0.00 0.00 0.00 54.91 55.29 3iss h ALA 379 Cb 0.33 -0.14 -0.08 0.00 0.00 0.00 0.00 17.79 17.90 3iss h ALA 379 CO -0.33 0.10 0.56 0.78 0.00 0.00 0.00 179.25 180.36 3iss h GLY 380 N 0.77 1.50 1.46 0.00 0.00 -0.35 -0.93 103.07 105.53 3iss h GLY 380 Ca 0.35 -0.37 -0.02 0.00 0.00 0.00 0.00 47.33 47.29 3iss h GLY 380 CO -0.21 0.13 0.25 0.00 0.00 0.00 0.00 176.54 176.70 3iss n ILE 382 N -4.38 0.00 -1.99 0.00 -5.35 -0.88 -1.48 119.36 105.28 3iss n ILE 382 Ca 0.04 -0.34 -0.30 0.00 -0.27 0.00 0.00 62.75 61.88 3iss n ILE 382 Cb 0.12 1.24 0.03 0.00 -1.74 0.00 0.00 39.64 39.29 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 -1.99 3.04 -0.52 -1.28 0.00 -0.41 -4.55 121.76 116.06 3iss s ALA 383 Ca 0.16 -0.31 -0.24 0.00 0.00 0.00 0.00 51.96 51.57 3iss s ALA 383 Cb 0.15 -2.97 0.04 0.00 0.00 0.00 0.00 23.12 20.34 3iss s ALA 383 CO 0.42 -0.90 0.90 -2.00 0.00 0.00 0.00 175.76 174.19 3iss s GLU 384 N -5.22 3.36 0.00 0.00 2.56 0.98 -1.85 118.70 118.54 3iss s GLU 384 Ca 0.56 -0.20 0.00 0.00 0.00 0.00 0.00 54.97 55.32 3iss s GLU 384 Cb -0.11 -4.02 0.00 0.00 2.00 0.00 0.00 34.13 32.00 3iss s GLU 384 CO 0.51 -1.38 0.00 0.41 -0.56 0.00 0.00 175.26 174.24 3iss n GLY 385 N 5.07 0.58 3.36 -1.50 0.00 -0.14 -2.06 105.19 110.51 3iss n GLY 385 Ca 0.02 -1.74 -0.34 0.00 0.00 0.00 0.00 46.02 43.95 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 3.44 -0.11 2.61 2.01 -1.26 -0.85 115.64 121.48 3iss s THR 386 Ca 0.00 -0.49 0.00 0.00 0.31 0.00 0.00 61.69 61.52 3iss s THR 386 Cb 0.00 -2.54 -0.02 0.00 0.01 0.00 0.00 72.50 69.95 3iss s THR 386 CO 0.00 0.45 -0.11 -0.89 -0.69 0.00 0.00 174.62 173.38 3iss s THR 387 N 1.11 3.31 -0.29 -0.82 2.01 -0.16 -2.96 115.64 117.84 3iss s THR 387 Ca 0.01 -0.59 -0.06 0.00 0.31 0.00 0.00 61.69 61.37 3iss s THR 387 Cb -0.15 -2.38 0.02 0.00 0.01 0.00 0.00 72.50 70.01 3iss s THR 387 CO -0.00 0.54 0.05 -0.69 -0.69 0.00 0.00 174.62 173.83 3iss s VAL 388 N -0.04 3.69 -0.46 3.82 1.01 -0.98 -0.20 120.40 127.23 3iss s VAL 388 Ca -0.02 -0.85 -0.19 0.00 0.00 0.00 0.00 61.98 60.92 3iss s VAL 388 Cb -0.14 -2.94 0.04 0.00 0.00 0.00 0.00 36.38 33.34 3iss s VAL 388 CO 0.04 0.06 0.60 -0.69 0.00 0.00 0.00 175.10 175.11 3iss s VAL 389 N 1.44 4.89 0.49 2.92 1.01 -0.28 -0.58 120.40 130.29 3iss s VAL 389 Ca 0.01 -0.21 -0.15 0.00 0.00 0.00 0.00 61.98 61.63 3iss s VAL 389 Cb -0.17 -4.22 -0.08 0.00 0.00 0.00 0.00 36.38 31.91 3iss s VAL 389 CO 0.01 -0.65 0.94 -0.62 0.00 0.00 0.00 175.10 174.77 3iss s ASP 390 N 2.24 6.60 -0.94 3.32 2.15 0.46 -1.61 116.67 128.89 3iss s ASP 390 Ca 0.18 1.47 -0.06 0.00 0.43 0.00 0.00 52.55 54.57 3iss s ASP 390 Cb -0.17 -2.47 0.01 0.00 -0.30 0.00 0.00 42.92 39.99 3iss s ASP 390 CO 0.15 -0.54 0.77 0.54 -0.17 0.00 0.00 175.17 175.92 3iss n ARG 391 N -1.51 -5.23 0.00 4.34 1.74 -1.24 -2.07 116.66 112.69 3iss n ARG 391 Ca 0.06 0.57 0.11 0.00 -0.77 0.00 0.00 57.85 57.81 3iss n ARG 391 Cb 0.54 -4.81 0.65 0.00 -1.02 0.00 0.00 32.46 27.83 3iss n ARG 391 CO 0.00 0.00 0.00 0.44 -1.52 0.00 0.00 177.63 176.55 3iss n ILE 392 N -4.20 0.00 0.14 0.55 -5.35 -1.22 -3.12 119.36 106.15 3iss n ILE 392 Ca -0.00 0.00 0.16 0.00 -0.27 0.00 0.00 62.75 62.63 3iss n ILE 392 Cb 0.54 -0.62 0.71 0.00 -1.74 0.00 0.00 39.64 38.54 3iss n ILE 392 CO 0.00 0.00 0.00 0.10 -1.76 0.00 0.00 176.55 174.89 3iss h TYR 393 N 0.00 0.00 -0.16 4.28 -0.00 -1.90 0.11 116.97 119.30 3iss h TYR 393 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 58.73 58.74 3iss h TYR 393 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 36.72 3iss h TYR 393 CO 0.00 0.00 0.09 0.45 -0.00 0.00 0.00 178.16 178.70 3iss h HIS 394 N 0.00 0.17 -0.43 0.10 3.86 -1.89 -2.79 115.15 114.16 3iss h HIS 394 Ca 0.13 0.01 -0.04 0.00 -1.16 0.00 0.00 60.37 59.30 3iss h HIS 394 Cb 0.55 -0.05 -0.02 0.00 1.06 0.00 0.00 27.41 28.95 3iss h HIS 394 CO 0.00 0.10 0.09 0.82 0.86 0.00 0.00 177.93 179.80 3iss h ILE 395 N 0.19 1.20 0.00 2.45 2.04 -1.03 -1.76 117.51 120.60 3iss h ILE 395 Ca 0.06 -0.72 -0.00 0.00 1.00 0.00 0.00 64.86 65.20 3iss h ILE 395 Cb -0.00 0.78 -0.00 0.00 -0.74 0.00 0.00 36.82 36.85 3iss h ILE 395 CO -0.03 0.26 -0.02 0.44 0.00 0.00 0.00 178.15 178.80 3iss h ASP 396 N 0.63 0.00 1.17 1.72 3.32 -1.07 -0.04 116.42 122.16 3iss h ASP 396 Ca 0.14 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.15 3iss h ASP 396 Cb 0.26 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 3iss h ASP 396 CO -0.00 0.02 -0.20 0.03 -1.72 0.00 0.00 179.24 177.37 3iss h ARG 397 N 0.00 0.00 0.00 3.56 3.08 -1.10 -2.51 114.38 117.41 3iss h ARG 397 Ca -0.00 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 3iss h ARG 397 Cb 0.10 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 3iss h ARG 397 CO 0.00 0.20 -1.32 0.41 -1.07 0.00 0.00 179.97 178.19 3iss n GLY 398 N 0.42 -0.27 3.07 0.04 0.00 -0.16 -3.67 105.19 104.62 3iss n GLY 398 Ca 0.01 -0.12 -0.21 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.29 1.15 -0.61 1.61 2.02 -0.43 -4.94 117.35 113.86 3iss s TYR 399 Ca -0.02 -0.24 -0.28 0.00 -0.37 0.00 0.00 57.07 56.16 3iss s TYR 399 Cb 0.03 -0.76 0.02 0.00 -0.40 0.00 0.00 41.96 40.86 3iss s TYR 399 CO 0.24 -0.05 1.29 -2.00 -1.57 0.00 0.00 175.55 173.46 3iss s GLU 400 N -0.17 3.37 -1.04 -0.62 2.12 -1.26 -4.42 118.70 116.67 3iss s GLU 400 Ca 0.03 0.22 -0.16 0.00 0.36 0.00 0.00 54.97 55.42 3iss s GLU 400 Cb -0.06 -4.09 -0.01 0.00 0.26 0.00 0.00 34.13 30.24 3iss s GLU 400 CO -0.00 -1.87 0.76 0.54 -0.54 0.00 0.00 175.26 174.15 3iss n ARG 401 N 8.71 -1.26 0.25 4.30 1.74 -1.26 -4.85 116.66 124.30 3iss n ARG 401 Ca 0.09 0.63 0.11 0.00 -0.77 0.00 0.00 57.85 57.91 3iss n ARG 401 Cb 0.49 -4.05 0.66 0.00 -1.02 0.00 0.00 32.46 28.54 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 -1.37 0.62 -0.01 0.55 2.10 -1.96 -2.89 117.51 114.56 3iss h ILE 402 Ca -0.58 -0.66 -0.11 0.00 1.08 0.00 0.00 64.86 64.59 3iss h ILE 402 Cb 1.32 1.42 -0.01 0.00 -1.09 0.00 0.00 36.82 38.46 3iss h ILE 402 CO 0.44 0.15 -0.50 -0.08 -1.08 0.00 0.00 178.15 177.08 3iss h GLU 403 N 0.00 0.03 0.05 2.19 4.81 -1.97 -1.52 114.58 118.17 3iss h GLU 403 Ca -0.00 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.14 3iss h GLU 403 Cb 0.41 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.80 3iss h GLU 403 CO 0.02 0.53 -0.30 -0.44 -0.73 0.00 0.00 179.01 178.08 3iss h ASP 404 N 0.03 0.18 -0.80 1.04 3.32 -1.88 -2.87 116.42 115.43 3iss h ASP 404 Ca -0.00 -0.98 -0.01 0.00 0.02 0.00 0.00 57.03 56.05 3iss h ASP 404 Cb 0.89 -0.06 -0.04 0.00 0.22 0.00 0.00 39.33 40.35 3iss h ASP 404 CO 0.07 1.14 0.46 0.11 -1.72 0.00 0.00 179.24 179.30 3iss h LYS 405 N -0.76 1.12 -0.22 3.56 1.57 -1.50 -1.64 116.57 118.71 3iss h LYS 405 Ca -0.05 -0.12 -0.18 0.00 -1.87 0.00 0.00 60.65 58.43 3iss h LYS 405 Cb 1.24 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 33.32 3iss h LYS 405 CO 0.06 0.81 -0.58 -0.07 -0.57 0.00 0.00 179.45 179.10 3iss h LEU 406 N 1.13 0.78 -0.74 2.94 3.38 -1.39 -2.85 115.31 118.56 3iss h LEU 406 Ca 0.29 -0.43 -0.07 0.00 0.09 0.00 0.00 57.88 57.76 3iss h LEU 406 Cb 0.01 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 3iss h LEU 406 CO -0.05 1.19 0.16 -0.09 0.09 0.00 0.00 178.44 179.74 3iss h ARG 407 N 0.52 1.12 0.00 1.13 2.43 -1.30 -1.00 114.38 117.28 3iss h ARG 407 Ca 0.00 -0.27 0.00 0.00 -0.81 0.00 0.00 59.98 58.90 3iss h ARG 407 Cb 1.16 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.56 3iss h ARG 407 CO 0.12 0.99 0.00 0.00 -1.51 0.00 0.00 179.97 179.57 3iss n ALA 408 N -2.46 1.56 0.36 2.80 0.00 -0.63 -0.47 120.51 121.67 3iss n ALA 408 Ca 0.05 -0.04 0.06 0.00 0.00 0.00 0.00 53.44 53.51 3iss n ALA 408 Cb 0.26 -1.15 0.08 0.00 0.00 0.00 0.00 19.45 18.65 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 -1.32 2.28 0.00 0.00 4.77 -0.58 -4.71 117.00 117.45 3iss n LEU 409 Ca 0.04 -1.23 0.00 0.00 -0.03 0.00 0.00 56.01 54.79 3iss n LEU 409 Cb 0.08 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 3iss n LEU 409 CO 0.07 0.47 0.00 0.61 -1.33 0.00 0.00 177.39 177.21 3iss n GLY 410 N 0.70 0.90 3.77 -0.72 0.00 0.37 -1.36 105.19 108.85 3iss n GLY 410 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 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 3.41 -0.73 4.61 0.00 -0.49 -4.81 121.76 121.75 3iss s ALA 411 Ca 0.00 1.08 -0.18 0.00 0.00 0.00 0.00 51.96 52.86 3iss s ALA 411 Cb 0.00 -3.41 0.14 0.00 0.00 0.00 0.00 23.12 19.85 3iss s ALA 411 CO 0.00 -0.44 0.83 1.21 0.00 0.00 0.00 175.76 177.36 3iss s ASN 412 N -0.74 6.43 -0.00 0.00 3.84 -1.26 -4.40 114.94 118.81 3iss s ASN 412 Ca 0.49 -1.88 -0.00 0.00 0.21 0.00 0.00 52.86 51.68 3iss s ASN 412 Cb -0.35 -2.31 0.00 0.00 -0.55 0.00 0.00 41.25 38.04 3iss s ASN 412 CO 0.46 -0.98 0.00 -0.51 -2.79 0.00 0.00 177.10 173.28 3iss s ILE 413 N 2.12 -0.01 -0.01 -5.21 2.07 -1.26 -0.75 121.20 118.16 3iss s ILE 413 Ca 0.18 0.03 -0.00 0.00 -1.41 0.00 0.00 60.65 59.45 3iss s ILE 413 Cb -0.16 -0.02 0.00 0.00 0.13 0.00 0.00 42.46 42.41 3iss s ILE 413 CO -0.01 0.01 0.01 -0.70 -1.91 0.00 0.00 174.94 172.34 3iss s GLU 414 N 0.16 0.01 -0.35 3.50 2.12 -0.19 -4.98 118.70 118.96 3iss s GLU 414 Ca -0.01 0.02 -0.14 0.00 0.36 0.00 0.00 54.97 55.20 3iss s GLU 414 Cb -0.02 0.00 -0.01 0.00 0.26 0.00 0.00 34.13 34.36 3iss s GLU 414 CO -0.00 -0.01 0.29 0.50 -0.54 0.00 0.00 175.26 175.50 3iss s ARG 415 N 0.03 3.44 0.31 4.30 3.52 -1.26 -0.19 118.95 129.10 3iss s ARG 415 Ca -0.00 -0.63 0.09 0.00 -0.13 0.00 0.00 55.73 55.06 3iss s ARG 415 Cb -0.00 -3.83 -0.04 0.00 -1.56 0.00 0.00 34.95 29.51 3iss s ARG 415 CO -0.00 -0.52 0.06 0.14 -0.81 0.00 0.00 175.30 174.18 3iss s VAL 416 N 1.82 3.17 -0.41 7.11 -7.23 -0.16 -4.95 120.40 119.75 3iss s VAL 416 Ca 0.08 -1.82 0.04 0.00 -1.81 0.00 0.00 61.98 58.47 3iss s VAL 416 Cb -0.17 -2.91 0.46 0.00 0.56 0.00 0.00 36.38 34.32 3iss s VAL 416 CO 0.11 -0.27 1.47 0.29 -0.31 0.00 0.00 175.10 176.39 3iss n LYS 417 N -1.02 3.23 0.00 4.82 4.76 -1.26 -1.56 118.16 127.14 3iss n LYS 417 Ca -0.05 -3.84 0.00 0.00 -2.87 0.00 0.00 58.31 51.55 3iss n LYS 417 Cb 0.60 -2.26 0.00 0.00 -1.84 0.00 0.00 35.03 31.54 3iss n LYS 417 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44