#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p1i s SER 11 N 0.00 -0.46 -0.23 3.42 1.04 -1.25 -4.73 113.70 111.49 1p1i s SER 11 Ca 0.00 0.85 -0.01 0.00 0.48 0.00 0.00 55.95 57.27 1p1i s SER 11 Cb 0.00 0.82 0.02 0.00 0.10 0.00 0.00 66.02 66.96 1p1i s SER 11 CO 0.00 -0.16 -0.08 -0.69 0.98 0.00 0.00 173.24 173.29 1p1i s VAL 12 N 0.60 2.77 -0.53 5.02 1.01 -1.19 -4.98 120.40 123.10 1p1i s VAL 12 Ca -0.03 -0.98 -0.04 0.00 0.00 0.00 0.00 61.98 60.93 1p1i s VAL 12 Cb -0.05 -2.36 0.14 0.00 0.00 0.00 0.00 36.38 34.11 1p1i s VAL 12 CO -0.04 0.27 0.36 -0.75 0.00 0.00 0.00 175.10 174.94 1p1i s LYS 13 N 1.33 2.39 0.02 2.72 2.47 -1.26 -4.94 119.74 122.47 1p1i s LYS 13 Ca 0.01 -2.17 -0.19 0.00 -1.56 0.00 0.00 55.97 52.07 1p1i s LYS 13 Cb -0.16 -3.73 -0.06 0.00 -1.46 0.00 0.00 37.83 32.42 1p1i s LYS 13 CO -0.06 -1.15 0.55 0.54 0.16 0.00 0.00 175.35 175.39 1p1i s VAL 14 N 0.58 4.88 -0.97 4.02 0.11 -1.26 -5.04 120.40 122.71 1p1i s VAL 14 Ca 0.12 1.15 -0.12 0.00 -2.93 0.00 0.00 61.98 60.20 1p1i s VAL 14 Cb -0.22 -3.88 0.25 0.00 -1.53 0.00 0.00 36.38 31.01 1p1i s VAL 14 CO -0.04 0.49 0.94 -0.69 -3.33 0.00 0.00 175.10 172.48 1p1i s VAL 15 N -0.63 5.79 0.14 2.04 1.01 -1.26 -5.02 120.40 122.47 1p1i s VAL 15 Ca 0.29 -2.93 0.04 0.00 0.00 0.00 0.00 61.98 59.38 1p1i s VAL 15 Cb -0.18 -4.54 -0.04 0.00 0.00 0.00 0.00 36.38 31.61 1p1i s VAL 15 CO 0.17 -1.11 -0.10 0.28 0.00 0.00 0.00 175.10 174.33 1p1i s THR 16 N -0.49 1.14 -2.08 3.92 -1.32 -1.26 -5.04 115.64 110.51 1p1i s THR 16 Ca 0.24 -2.00 0.27 0.00 -1.21 0.00 0.00 61.69 58.99 1p1i s THR 16 Cb -0.10 -1.78 0.40 0.00 -1.51 0.00 0.00 72.50 69.51 1p1i s THR 16 CO -0.08 -0.72 1.65 -0.90 -2.21 0.00 0.00 174.62 172.36 1p1i n ASP 17 N -0.09 1.21 0.03 8.08 3.85 -1.26 -3.74 116.55 124.64 1p1i n ASP 17 Ca -0.11 -1.15 0.14 0.00 -0.71 0.00 0.00 54.79 52.96 1p1i n ASP 17 Cb 0.60 0.07 0.56 0.00 -1.35 0.00 0.00 41.12 41.00 1p1i n ASP 17 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 1p1i n LYS 18 N -0.30 0.07 -4.91 0.11 5.02 -1.26 -4.75 118.16 112.14 1p1i n LYS 18 Ca 0.15 0.06 -0.31 0.00 -2.02 0.00 0.00 58.31 56.19 1p1i n LYS 18 Cb 0.35 -1.58 -0.17 0.00 -0.02 0.00 0.00 35.03 33.61 1p1i n LYS 18 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1p1i s THR 20 N 0.58 0.66 -0.16 0.00 -4.23 -0.99 -4.88 115.64 106.62 1p1i s THR 20 Ca -0.14 -0.60 0.01 0.00 -1.18 0.00 0.00 61.69 59.78 1p1i s THR 20 Cb -0.17 -0.60 0.01 0.00 1.34 0.00 0.00 72.50 73.08 1p1i s THR 20 CO 0.04 0.01 -0.18 -0.31 -0.54 0.00 0.00 174.62 173.64 1p1i s TYR 21 N -0.56 2.76 0.00 3.99 1.51 -1.26 -2.23 117.35 121.55 1p1i s TYR 21 Ca -0.00 -1.27 0.00 0.00 -1.01 0.00 0.00 57.07 54.79 1p1i s TYR 21 Cb -0.05 -1.89 0.00 0.00 -0.11 0.00 0.00 41.96 39.91 1p1i s TYR 21 CO 0.00 -0.60 0.00 1.63 -1.11 0.00 0.00 175.55 175.47 1p1i n LYS 22 N 4.24 0.00 -3.65 -0.62 5.02 -0.96 -4.94 118.16 117.25 1p1i n LYS 22 Ca -0.20 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 55.72 1p1i n LYS 22 Cb 0.51 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 35.44 1p1i n LYS 22 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1p1i s ASP 23 N -1.00 5.61 -0.79 4.39 1.11 -1.26 -4.61 116.67 120.13 1p1i s ASP 23 Ca 0.00 -3.08 -0.00 0.00 0.18 0.00 0.00 52.55 49.65 1p1i s ASP 23 Cb 0.00 -1.91 0.00 0.00 1.07 0.00 0.00 42.92 42.08 1p1i s ASP 23 CO 0.00 -0.34 0.66 0.59 1.18 0.00 0.00 175.17 177.26 1p1i n ASN 24 N 3.22 -2.09 -3.69 0.27 3.02 -1.26 -4.99 115.26 109.74 1p1i n ASN 24 Ca 0.12 -0.40 -0.12 0.00 -0.03 0.00 0.00 54.58 54.15 1p1i n ASN 24 Cb 0.39 -3.53 -0.09 0.00 -0.61 0.00 0.00 39.78 35.93 1p1i n ASN 24 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1p1i s GLU 25 N -4.91 0.57 -0.08 3.52 2.56 -1.26 -2.53 118.70 116.57 1p1i s GLU 25 Ca 0.01 0.78 0.04 0.00 0.00 0.00 0.00 54.97 55.80 1p1i s GLU 25 Cb -0.00 0.21 -0.01 0.00 2.00 0.00 0.00 34.13 36.33 1p1i s GLU 25 CO 0.48 -0.10 -0.21 -1.17 -0.56 0.00 0.00 175.26 173.70 1p1i s LEU 26 N 0.64 2.26 -0.11 2.70 2.96 0.41 -2.27 118.68 125.28 1p1i s LEU 26 Ca -0.03 -0.46 0.03 0.00 -0.22 0.00 0.00 54.13 53.46 1p1i s LEU 26 Cb -0.05 -1.44 0.00 0.00 0.50 0.00 0.00 46.19 45.20 1p1i s LEU 26 CO -0.04 0.22 -0.22 -0.76 -1.32 0.00 0.00 176.35 174.23 1p1i s LEU 27 N -0.02 2.03 -0.03 -0.68 1.43 -0.95 -0.36 118.68 120.11 1p1i s LEU 27 Ca -0.07 -0.54 0.01 0.00 -1.03 0.00 0.00 54.13 52.51 1p1i s LEU 27 Cb -0.15 -1.34 0.01 0.00 0.03 0.00 0.00 46.19 44.74 1p1i s LEU 27 CO 0.05 0.12 -0.05 -0.89 0.23 0.00 0.00 176.35 175.80 1p1i s THR 28 N 0.54 0.52 0.23 5.49 2.01 -0.27 -2.34 115.64 121.82 1p1i s THR 28 Ca -0.15 -0.18 -0.17 0.00 0.31 0.00 0.00 61.69 61.50 1p1i s THR 28 Cb -0.17 -0.50 -0.08 0.00 0.01 0.00 0.00 72.50 71.76 1p1i s THR 28 CO 0.05 0.19 0.69 -0.54 -0.69 0.00 0.00 174.62 174.32 1p1i s LYS 29 N 0.46 4.12 -0.27 4.92 -0.14 -0.47 -1.02 119.74 127.35 1p1i s LYS 29 Ca -0.06 0.73 -0.07 0.00 -1.36 0.00 0.00 55.97 55.20 1p1i s LYS 29 Cb -0.10 -2.76 0.13 0.00 -1.68 0.00 0.00 37.83 33.42 1p1i s LYS 29 CO -0.00 0.34 0.56 -0.47 -0.76 0.00 0.00 175.35 175.02 1p1i s TYR 30 N -1.64 -1.19 -0.82 3.18 6.14 -0.28 -4.91 117.35 117.83 1p1i s TYR 30 Ca 0.45 1.92 -0.20 0.00 0.64 0.00 0.00 57.07 59.89 1p1i s TYR 30 Cb -0.14 0.58 0.11 0.00 0.42 0.00 0.00 41.96 42.93 1p1i s TYR 30 CO 0.20 -0.64 1.04 -1.12 0.64 0.00 0.00 175.55 175.66 1p1i s SER 31 N 2.79 6.45 -0.31 4.32 0.01 -1.26 -0.81 113.70 124.90 1p1i s SER 31 Ca -0.00 -1.67 -0.29 0.00 1.31 0.00 0.00 55.95 55.30 1p1i s SER 31 Cb -0.13 -2.39 0.01 0.00 0.21 0.00 0.00 66.02 63.72 1p1i s SER 31 CO -0.17 -1.18 1.10 -0.47 0.41 0.00 0.00 173.24 172.93 1p1i s TYR 32 N 3.09 3.12 0.19 2.43 6.14 -0.62 -4.87 117.35 126.82 1p1i s TYR 32 Ca 0.27 1.19 0.06 0.00 0.64 0.00 0.00 57.07 59.23 1p1i s TYR 32 Cb -0.10 -3.67 -0.04 0.00 0.42 0.00 0.00 41.96 38.57 1p1i s TYR 32 CO -0.02 -0.85 0.15 -1.21 0.64 0.00 0.00 175.55 174.25 1p1i s GLU 33 N 3.65 2.90 0.00 4.97 2.02 -1.26 -0.44 118.70 130.54 1p1i s GLU 33 Ca 0.47 -0.93 0.00 0.00 0.02 0.00 0.00 54.97 54.53 1p1i s GLU 33 Cb -0.13 -2.62 0.00 0.00 0.10 0.00 0.00 34.13 31.48 1p1i s GLU 33 CO 0.15 0.46 0.00 -1.71 0.02 0.00 0.00 175.26 174.18 1p1i n ASN 34 N -0.58 0.00 -3.59 -0.19 2.85 0.22 -4.99 115.26 108.99 1p1i n ASN 34 Ca -0.08 0.00 -0.10 0.00 -0.11 0.00 0.00 54.58 54.28 1p1i n ASN 34 Cb 0.56 0.00 -0.06 0.00 1.24 0.00 0.00 39.78 41.52 1p1i n ASN 34 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1p1i s ALA 35 N -1.00 -1.94 -0.15 5.20 0.00 -1.26 -1.43 121.76 121.18 1p1i s ALA 35 Ca 0.00 1.66 -0.03 0.00 0.00 0.00 0.00 51.96 53.59 1p1i s ALA 35 Cb 0.00 -0.89 -0.02 0.00 0.00 0.00 0.00 23.12 22.21 1p1i s ALA 35 CO 0.00 -0.29 -0.06 0.08 0.00 0.00 0.00 175.76 175.49 1p1i s VAL 36 N -0.73 3.70 0.10 0.00 1.01 0.19 -4.90 120.40 119.77 1p1i s VAL 36 Ca -0.01 -0.43 0.06 0.00 0.00 0.00 0.00 61.98 61.61 1p1i s VAL 36 Cb -0.02 -2.61 -0.04 0.00 0.00 0.00 0.00 36.38 33.71 1p1i s VAL 36 CO -0.00 0.50 -0.06 -0.69 0.00 0.00 0.00 175.10 174.84 1p1i s VAL 37 N 0.39 3.60 -0.16 2.92 1.01 -1.26 0.44 120.40 127.35 1p1i s VAL 37 Ca -0.05 -1.17 -0.04 0.00 0.00 0.00 0.00 61.98 60.71 1p1i s VAL 37 Cb -0.15 -2.70 0.08 0.00 0.00 0.00 0.00 36.38 33.61 1p1i s VAL 37 CO 0.03 0.11 0.23 -0.89 0.00 0.00 0.00 175.10 174.58 1p1i s THR 38 N -1.26 -0.35 -0.55 3.92 2.01 0.12 -4.94 115.64 114.60 1p1i s THR 38 Ca 0.23 0.08 -0.28 0.00 0.31 0.00 0.00 61.69 62.03 1p1i s THR 38 Cb -0.11 -0.55 0.02 0.00 0.01 0.00 0.00 72.50 71.87 1p1i s THR 38 CO 0.15 -0.05 1.29 -0.75 -0.69 0.00 0.00 174.62 174.57 1p1i s LYS 39 N 2.35 3.45 1.27 4.92 2.20 -1.26 -0.26 119.74 132.42 1p1i s LYS 39 Ca 0.05 0.40 -0.19 0.00 -0.36 0.00 0.00 55.97 55.87 1p1i s LYS 39 Cb -0.14 -4.05 0.29 0.00 -1.51 0.00 0.00 37.83 32.41 1p1i s LYS 39 CO -0.10 -1.76 0.66 0.25 -0.36 0.00 0.00 175.35 174.05 1p1i n THR 40 N 6.79 0.00 -0.01 3.43 -2.24 0.11 -4.72 114.28 117.63 1p1i n THR 40 Ca 0.11 -0.13 -0.09 0.00 -2.27 0.00 0.00 64.05 61.66 1p1i n THR 40 Cb 0.49 -0.82 -0.03 0.00 -2.10 0.00 0.00 70.33 67.87 1p1i n THR 40 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1p1i h ALA 41 N -3.09 -0.18 0.00 6.98 0.00 -1.94 -1.40 119.26 119.63 1p1i h ALA 41 Ca -0.41 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1p1i h ALA 41 Cb 1.19 0.47 0.00 0.00 0.00 0.00 0.00 17.79 19.44 1p1i h ALA 41 CO 0.28 -0.68 0.00 -1.13 0.00 0.00 0.00 179.25 177.72 1p1i n SER 42 N -5.37 2.91 -3.56 0.00 3.41 -1.26 -4.83 113.62 104.93 1p1i n SER 42 Ca -0.02 -1.91 -0.23 0.00 -0.26 0.00 0.00 58.87 56.44 1p1i n SER 42 Cb 0.28 -0.49 0.05 0.00 -0.26 0.00 0.00 64.21 63.79 1p1i n SER 42 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1p1i n GLY 43 N 0.55 -0.82 2.90 5.00 0.00 -0.53 -5.00 105.19 107.29 1p1i n GLY 43 Ca 0.00 0.39 -0.29 0.00 0.00 0.00 0.00 46.02 46.12 1p1i n GLY 43 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1p1i s ARG 44 N -5.50 1.47 -0.17 1.61 3.00 -1.25 -4.86 118.95 113.24 1p1i s ARG 44 Ca 0.32 -0.59 -0.29 0.00 -1.00 0.00 0.00 55.73 54.17 1p1i s ARG 44 Cb -0.08 -2.11 -0.03 0.00 0.00 0.00 0.00 34.95 32.73 1p1i s ARG 44 CO 0.81 -0.46 1.56 -0.06 0.00 0.00 0.00 175.30 177.15 1p1i s PHE 45 N 1.60 2.20 -0.26 5.12 0.40 -1.26 -0.71 117.98 125.07 1p1i s PHE 45 Ca -0.00 0.53 -0.10 0.00 -0.60 0.00 0.00 56.93 56.76 1p1i s PHE 45 Cb -0.16 -3.89 -0.05 0.00 0.51 0.00 0.00 43.02 39.44 1p1i s PHE 45 CO -0.08 -2.95 0.16 -0.51 0.70 0.00 0.00 175.22 172.54 1p1i s ASP 46 N 3.61 5.87 -0.12 1.36 1.01 0.64 -4.87 116.67 124.17 1p1i s ASP 46 Ca 0.69 -0.01 0.03 0.00 0.71 0.00 0.00 52.55 53.97 1p1i s ASP 46 Cb -0.26 -2.07 0.00 0.00 1.01 0.00 0.00 42.92 41.60 1p1i s ASP 46 CO 0.27 -0.01 -0.22 0.54 0.21 0.00 0.00 175.17 175.96 1p1i s VAL 47 N 1.49 2.14 -0.26 -1.27 0.11 -1.26 0.14 120.40 121.49 1p1i s VAL 47 Ca 0.07 -0.98 -0.03 0.00 -2.93 0.00 0.00 61.98 58.11 1p1i s VAL 47 Cb -0.15 -1.83 0.02 0.00 -1.53 0.00 0.00 36.38 32.89 1p1i s VAL 47 CO 0.08 0.55 -0.03 -0.89 -3.33 0.00 0.00 175.10 171.48 1p1i s THR 48 N 0.52 3.11 0.65 5.04 2.01 0.17 -4.91 115.64 122.24 1p1i s THR 48 Ca -0.14 -0.96 -0.17 0.00 0.31 0.00 0.00 61.69 60.74 1p1i s THR 48 Cb -0.17 -2.59 -0.00 0.00 0.01 0.00 0.00 72.50 69.75 1p1i s THR 48 CO 0.05 0.17 1.18 -2.84 -0.69 0.00 0.00 174.62 172.48 1p1i s PRO 49 N 1.36 2.67 -0.05 4.92 0.02 -1.26 0.53 135.00 143.20 1p1i s PRO 49 Ca 0.01 1.67 -0.02 0.00 0.02 0.00 0.00 61.00 62.68 1p1i s PRO 49 Cb -0.17 -1.91 0.03 0.00 0.02 0.00 0.00 34.50 32.48 1p1i s PRO 49 CO -0.03 -1.40 0.10 0.95 -0.33 0.00 0.00 177.00 176.29 1p1i s THR 50 N -1.93 -0.04 -0.02 0.99 -4.23 -0.51 -4.82 115.64 105.08 1p1i s THR 50 Ca 0.73 0.16 0.08 0.00 -1.18 0.00 0.00 61.69 61.48 1p1i s THR 50 Cb -0.27 -0.18 -0.02 0.00 1.34 0.00 0.00 72.50 73.38 1p1i s THR 50 CO 0.39 0.07 -0.25 0.54 -0.54 0.00 0.00 174.62 174.82 1p1i s VAL 51 N 0.95 1.96 -0.08 2.29 0.11 -1.26 -0.61 120.40 123.77 1p1i s VAL 51 Ca -0.08 -1.06 -0.03 0.00 -2.93 0.00 0.00 61.98 57.88 1p1i s VAL 51 Cb -0.10 -1.63 0.04 0.00 -1.53 0.00 0.00 36.38 33.16 1p1i s VAL 51 CO -0.04 0.56 0.06 -1.58 -3.33 0.00 0.00 175.10 170.76 1p1i s GLN 52 N -0.58 0.07 0.33 1.54 2.00 0.42 -4.98 119.66 118.46 1p1i s GLN 52 Ca 0.10 0.21 -0.26 0.00 -2.00 0.00 0.00 55.36 53.41 1p1i s GLN 52 Cb -0.10 -0.93 -0.10 0.00 0.80 0.00 0.00 33.01 32.69 1p1i s GLN 52 CO -0.01 -0.42 0.98 -0.51 -0.50 0.00 0.00 175.29 174.83 1p1i s ASP 53 N 2.13 7.22 0.11 6.67 1.01 -1.26 -1.60 116.67 130.95 1p1i s ASP 53 Ca 0.04 1.91 -0.00 0.00 0.71 0.00 0.00 52.55 55.21 1p1i s ASP 53 Cb -0.13 -2.58 -0.04 0.00 1.01 0.00 0.00 42.92 41.17 1p1i s ASP 53 CO -0.05 -0.16 0.01 -0.31 0.21 0.00 0.00 175.17 174.88 1p1i s TYR 54 N -1.59 0.83 -0.14 4.23 1.51 0.01 -2.86 117.35 119.34 1p1i s TYR 54 Ca 0.51 -1.13 -0.04 0.00 -1.01 0.00 0.00 57.07 55.40 1p1i s TYR 54 Cb -0.20 -0.49 0.06 0.00 -0.11 0.00 0.00 41.96 41.21 1p1i s TYR 54 CO 0.26 -0.40 0.12 0.08 -1.11 0.00 0.00 175.55 174.49 1p1i s VAL 55 N -3.92 -0.16 0.12 0.71 1.01 1.00 -1.12 120.40 118.04 1p1i s VAL 55 Ca 0.18 0.04 -0.02 0.00 0.00 0.00 0.00 61.98 62.18 1p1i s VAL 55 Cb 0.07 -0.47 -0.05 0.00 0.00 0.00 0.00 36.38 35.94 1p1i s VAL 55 CO -0.02 -0.11 0.31 -0.36 0.00 0.00 0.00 175.10 174.92 1p1i s PHE 56 N 2.20 3.49 -0.13 5.22 0.40 -0.19 0.48 117.98 129.46 1p1i s PHE 56 Ca 0.04 0.38 0.01 0.00 -0.60 0.00 0.00 56.93 56.76 1p1i s PHE 56 Cb -0.15 -1.87 0.02 0.00 0.51 0.00 0.00 43.02 41.53 1p1i s PHE 56 CO -0.08 0.49 -0.15 0.21 0.70 0.00 0.00 175.22 176.39 1p1i s LYS 57 N -2.71 2.33 -0.24 0.44 2.20 0.70 -1.12 119.74 121.34 1p1i s LYS 57 Ca 0.38 -0.59 0.02 0.00 -0.36 0.00 0.00 55.97 55.43 1p1i s LYS 57 Cb -0.12 -2.03 0.05 0.00 -1.51 0.00 0.00 37.83 34.22 1p1i s LYS 57 CO 0.27 -0.13 -0.12 -1.17 -0.36 0.00 0.00 175.35 173.83 1p1i s LEU 58 N 1.19 3.01 -0.39 5.43 1.98 0.52 -0.32 118.68 130.10 1p1i s LEU 58 Ca -0.02 -1.19 -0.28 0.00 -2.89 0.00 0.00 54.13 49.76 1p1i s LEU 58 Cb -0.14 -1.47 -0.03 0.00 0.66 0.00 0.00 46.19 45.21 1p1i s LEU 58 CO -0.06 -0.15 1.97 -0.62 -1.89 0.00 0.00 176.35 175.60 1p1i s ASP 59 N 1.19 5.49 0.00 3.68 3.68 0.23 -0.44 116.67 130.49 1p1i s ASP 59 Ca -0.05 1.19 0.13 0.00 2.13 0.00 0.00 52.55 55.95 1p1i s ASP 59 Cb -0.18 -2.52 0.57 0.00 -1.45 0.00 0.00 42.92 39.34 1p1i s ASP 59 CO -0.07 -2.05 1.39 0.18 0.13 0.00 0.00 175.17 174.75 1p1i n LEU 60 N 11.81 0.00 -4.37 -1.34 4.77 -1.05 -4.52 117.00 122.30 1p1i n LEU 60 Ca 0.26 0.44 -0.45 0.00 -0.03 0.00 0.00 56.01 56.23 1p1i n LEU 60 Cb 0.49 -0.44 -0.04 0.00 -2.33 0.00 0.00 43.42 41.10 1p1i n LEU 60 CO 0.69 -0.25 0.45 -0.75 -1.33 0.00 0.00 177.39 176.20 1p1i s LYS 61 N -2.88 3.14 0.41 3.23 2.20 -1.26 -4.93 119.74 119.65 1p1i s LYS 61 Ca 0.08 -1.49 -0.21 0.00 -0.36 0.00 0.00 55.97 53.99 1p1i s LYS 61 Cb 0.08 -4.34 -0.11 0.00 -1.51 0.00 0.00 37.83 31.96 1p1i s LYS 61 CO 0.22 -1.53 0.92 -1.59 -0.36 0.00 0.00 175.35 173.02 1p1i s LYS 62 N 2.39 4.23 0.28 4.03 -2.85 -1.26 -5.01 119.74 121.56 1p1i s LYS 62 Ca 0.13 1.08 -0.30 0.00 -1.00 0.00 0.00 55.97 55.89 1p1i s LYS 62 Cb -0.22 -2.27 -0.11 0.00 -2.06 0.00 0.00 37.83 33.18 1p1i s LYS 62 CO 0.03 0.02 1.55 -1.25 0.10 0.00 0.00 175.35 175.80 1p1i s PRO 63 N -3.05 4.16 0.28 1.78 0.04 -1.26 -4.89 135.00 132.06 1p1i s PRO 63 Ca 0.60 2.50 0.25 0.00 0.04 0.00 0.00 61.00 64.39 1p1i s PRO 63 Cb -0.10 -3.05 0.98 0.00 0.04 0.00 0.00 34.50 32.37 1p1i s PRO 63 CO 0.14 -0.57 1.74 0.93 0.04 0.00 0.00 177.00 179.29 1p1i h GLU 64 N 4.84 0.00 -2.42 4.56 5.08 -1.95 -3.41 114.58 121.27 1p1i h GLU 64 Ca -0.47 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 57.82 1p1i h GLU 64 Cb 1.22 0.00 -0.27 0.00 0.50 0.00 0.00 28.75 30.20 1p1i h GLU 64 CO 0.78 0.00 -0.34 0.15 -1.00 0.00 0.00 179.01 178.60 1p1i s LYS 65 N -3.31 0.35 -0.15 2.33 -0.14 -1.26 -4.89 119.74 112.67 1p1i s LYS 65 Ca 0.05 1.07 -0.12 0.00 -1.36 0.00 0.00 55.97 55.61 1p1i s LYS 65 Cb 0.10 0.37 -0.05 0.00 -1.68 0.00 0.00 37.83 36.57 1p1i s LYS 65 CO 0.44 -0.26 0.24 -1.17 -0.76 0.00 0.00 175.35 173.84 1p1i s LEU 66 N 2.65 4.27 0.04 3.17 2.96 0.00 -4.69 118.68 127.07 1p1i s LEU 66 Ca -0.02 0.46 -0.24 0.00 -0.22 0.00 0.00 54.13 54.12 1p1i s LEU 66 Cb -0.12 -2.27 -0.06 0.00 0.50 0.00 0.00 46.19 44.24 1p1i s LEU 66 CO -0.14 0.18 0.72 -0.83 -1.32 0.00 0.00 176.35 174.96 1p1i s GLY 67 N 0.14 2.75 -0.08 7.98 0.00 0.60 -1.01 107.32 117.70 1p1i s GLY 67 Ca 0.14 0.22 0.01 0.00 0.00 0.00 0.00 44.72 45.10 1p1i s GLY 67 CO 0.03 0.99 -0.10 -0.42 0.00 0.00 0.00 173.10 173.60 1p1i s ILE 68 N -0.17 1.03 -0.21 0.90 -1.09 0.12 0.13 121.20 121.90 1p1i s ILE 68 Ca 0.36 -0.37 0.01 0.00 -2.23 0.00 0.00 60.65 58.42 1p1i s ILE 68 Cb -0.20 -0.99 0.05 0.00 -1.58 0.00 0.00 42.46 39.74 1p1i s ILE 68 CO 0.22 0.35 -0.08 -0.04 -1.23 0.00 0.00 174.94 174.15 1p1i s MET 69 N 1.08 1.84 -0.17 2.79 -1.94 -0.38 0.14 119.30 122.66 1p1i s MET 69 Ca -0.07 -0.91 -0.07 0.00 -1.71 0.00 0.00 55.69 52.93 1p1i s MET 69 Cb -0.14 -2.48 -0.04 0.00 2.01 0.00 0.00 34.83 34.17 1p1i s MET 69 CO -0.01 -0.50 0.08 -0.51 -0.01 0.00 0.00 175.02 174.06 1p1i s LEU 70 N 1.40 3.92 -0.33 -0.03 1.02 -0.45 -1.94 118.68 122.26 1p1i s LEU 70 Ca -0.03 0.15 -0.21 0.00 0.02 0.00 0.00 54.13 54.05 1p1i s LEU 70 Cb -0.17 -1.98 -0.00 0.00 0.02 0.00 0.00 46.19 44.05 1p1i s LEU 70 CO -0.07 0.21 0.69 -0.63 0.02 0.00 0.00 176.35 176.57 1p1i s ILE 71 N 0.16 4.86 0.00 -0.59 1.09 -0.73 -1.90 121.20 124.08 1p1i s ILE 71 Ca 0.06 0.86 0.00 0.00 -1.10 0.00 0.00 60.65 60.46 1p1i s ILE 71 Cb -0.12 -4.08 0.00 0.00 -1.06 0.00 0.00 42.46 37.20 1p1i s ILE 71 CO 0.00 -0.25 0.00 0.61 -0.10 0.00 0.00 174.94 175.20 1p1i n GLY 72 N 4.46 1.57 0.19 6.18 0.00 0.26 -1.67 105.19 116.18 1p1i n GLY 72 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.16 1p1i n GLY 72 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1p1i h LEU 73 N 0.00 0.00 -1.84 0.99 7.12 -1.50 -2.11 115.31 117.97 1p1i h LEU 73 Ca 0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 1p1i h LEU 73 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.13 1p1i h LEU 73 CO 0.00 0.00 0.00 0.61 -0.13 0.00 0.00 178.44 178.92 1p1i n GLY 74 N -1.14 1.18 0.00 3.75 0.00 -1.26 -2.76 105.19 104.96 1p1i n GLY 74 Ca -0.01 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.40 1p1i n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p1i n GLY 75 N 1.35 -0.01 0.07 -0.02 0.00 -0.79 -4.74 105.19 101.05 1p1i n GLY 75 Ca 0.18 -1.80 -0.13 0.00 0.00 0.00 0.00 46.02 44.27 1p1i n GLY 75 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1p1i h ASN 76 N 0.00 -0.04 -0.21 1.61 4.21 -1.89 -2.21 115.58 117.04 1p1i h ASN 76 Ca 0.00 -0.31 -0.03 0.00 1.21 0.00 0.00 56.30 57.17 1p1i h ASN 76 Cb 0.00 0.01 -0.01 0.00 -1.12 0.00 0.00 38.32 37.20 1p1i h ASN 76 CO 0.00 0.29 0.02 0.78 -1.29 0.00 0.00 177.43 177.24 1p1i h ASN 77 N -0.38 0.35 0.42 5.81 2.35 -1.91 -2.56 115.58 119.65 1p1i h ASN 77 Ca -0.01 -0.28 -0.01 0.00 -0.55 0.00 0.00 56.30 55.46 1p1i h ASN 77 Cb 0.35 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.61 1p1i h ASN 77 CO 0.01 0.54 -0.43 1.23 -1.65 0.00 0.00 177.43 177.13 1p1i h GLY 78 N 0.15 -1.02 1.88 2.83 0.00 -1.73 0.15 103.07 105.31 1p1i h GLY 78 Ca 0.06 0.50 -0.03 0.00 0.00 0.00 0.00 47.33 47.86 1p1i h GLY 78 CO 0.01 -0.33 -0.08 1.48 0.00 0.00 0.00 176.54 177.62 1p1i h SER 79 N -0.86 0.15 0.21 0.19 4.64 -1.21 -2.07 113.55 114.60 1p1i h SER 79 Ca -0.04 -0.02 -0.22 0.00 -0.47 0.00 0.00 61.79 61.04 1p1i h SER 79 Cb 0.77 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.82 1p1i h SER 79 CO -0.07 0.25 -0.89 0.74 -0.87 0.00 0.00 176.83 175.98 1p1i h THR 80 N 0.16 1.36 0.01 2.95 2.02 -1.11 -1.19 112.91 117.11 1p1i h THR 80 Ca 0.04 -2.30 0.00 0.00 0.77 0.00 0.00 66.41 64.92 1p1i h THR 80 Cb 0.24 2.30 -0.00 0.00 -1.74 0.00 0.00 68.15 68.94 1p1i h THR 80 CO 0.01 0.69 -0.02 0.25 0.37 0.00 0.00 175.52 176.83 1p1i h LEU 81 N 0.30 -0.05 0.01 2.58 5.85 -0.15 -0.81 115.31 123.05 1p1i h LEU 81 Ca -0.07 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.66 1p1i h LEU 81 Cb 1.52 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.55 1p1i h LEU 81 CO 0.16 -0.03 -0.06 0.58 -0.34 0.00 0.00 178.44 178.75 1p1i h VAL 82 N -0.03 0.84 -0.52 1.05 2.07 -1.38 -2.08 116.25 116.19 1p1i h VAL 82 Ca 0.00 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.58 1p1i h VAL 82 Cb 0.04 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 1p1i h VAL 82 CO -0.01 0.00 0.35 0.00 0.02 0.00 0.00 177.57 177.93 1p1i h ALA 83 N 0.86 1.85 -0.12 1.67 0.00 -1.00 -1.11 119.26 121.41 1p1i h ALA 83 Ca 0.02 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1p1i h ALA 83 Cb 0.15 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1p1i h ALA 83 CO -0.06 0.07 -0.10 0.66 0.00 0.00 0.00 179.25 179.82 1p1i h SER 84 N 0.51 0.30 0.17 0.00 4.64 -0.71 0.24 113.55 118.70 1p1i h SER 84 Ca 0.22 -0.46 0.01 0.00 -0.47 0.00 0.00 61.79 61.09 1p1i h SER 84 Cb 0.24 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.22 1p1i h SER 84 CO -0.06 0.70 -0.21 0.58 -0.87 0.00 0.00 176.83 176.97 1p1i h VAL 85 N -0.09 0.53 -0.47 0.95 2.07 -0.89 0.21 116.25 118.55 1p1i h VAL 85 Ca 0.02 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.59 1p1i h VAL 85 Cb 0.61 0.53 -0.05 0.00 -1.52 0.00 0.00 31.29 30.87 1p1i h VAL 85 CO 0.03 0.00 0.21 -0.07 0.02 0.00 0.00 177.57 177.76 1p1i h LEU 86 N -0.43 0.27 0.14 2.57 3.38 -1.22 0.43 115.31 120.45 1p1i h LEU 86 Ca 0.01 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1p1i h LEU 86 Cb 0.42 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1p1i h LEU 86 CO -0.08 0.19 -0.07 0.00 0.09 0.00 0.00 178.44 178.57 1p1i h ALA 87 N 1.28 -0.19 0.41 1.53 0.00 -0.51 -0.81 119.26 120.97 1p1i h ALA 87 Ca 0.22 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1p1i h ALA 87 Cb 0.17 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1p1i h ALA 87 CO -0.18 -0.60 -0.20 -0.91 0.00 0.00 0.00 179.25 177.36 1p1i h ASN 88 N -0.20 -0.46 -0.89 0.00 2.35 -0.40 -0.06 115.58 115.91 1p1i h ASN 88 Ca -0.02 -0.12 0.23 0.00 -0.55 0.00 0.00 56.30 55.84 1p1i h ASN 88 Cb 0.16 0.12 -0.13 0.00 0.05 0.00 0.00 38.32 38.52 1p1i h ASN 88 CO 0.03 -0.09 0.36 0.50 -1.65 0.00 0.00 177.43 176.58 1p1i h LYS 89 N -0.89 0.33 -0.46 0.81 3.64 -0.16 -0.84 116.57 119.00 1p1i h LYS 89 Ca -0.06 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.27 1p1i h LYS 89 Cb 0.55 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.28 1p1i h LYS 89 CO 0.09 0.22 0.03 0.72 -2.27 0.00 0.00 179.45 178.24 1p1i n HIS 90 N -5.09 1.65 -4.20 1.91 8.25 -0.31 -4.97 115.22 112.45 1p1i n HIS 90 Ca 0.22 -0.87 -0.33 0.00 -0.26 0.00 0.00 57.72 56.48 1p1i n HIS 90 Cb 0.68 -0.46 -0.08 0.00 1.12 0.00 0.00 29.99 31.25 1p1i n HIS 90 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1p1i n ASN 91 N 0.03 -0.39 -4.59 0.41 5.03 -0.32 -4.84 115.26 110.58 1p1i n ASN 91 Ca 0.27 -1.14 -0.43 0.00 0.87 0.00 0.00 54.58 54.15 1p1i n ASN 91 Cb 1.10 -1.44 -0.03 0.00 -1.02 0.00 0.00 39.78 38.38 1p1i n ASN 91 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1p1i s VAL 92 N -3.65 4.45 0.48 2.41 0.11 -0.17 -4.94 120.40 119.09 1p1i s VAL 92 Ca 0.38 1.05 -0.08 0.00 -2.93 0.00 0.00 61.98 60.40 1p1i s VAL 92 Cb -0.22 -4.44 -0.05 0.00 -1.53 0.00 0.00 36.38 30.14 1p1i s VAL 92 CO 0.92 -0.76 0.83 -1.83 -3.33 0.00 0.00 175.10 170.92 1p1i s GLU 93 N 3.82 3.64 0.05 1.54 -1.05 -1.26 -4.27 118.70 121.17 1p1i s GLU 93 Ca 0.40 0.40 -0.01 0.00 -0.15 0.00 0.00 54.97 55.62 1p1i s GLU 93 Cb -0.10 -2.32 -0.04 0.00 -0.44 0.00 0.00 34.13 31.23 1p1i s GLU 93 CO 0.25 -0.21 -0.03 -0.59 0.95 0.00 0.00 175.26 175.62 1p1i s PHE 94 N -2.69 0.49 0.14 4.83 -0.12 -0.81 -4.94 117.98 114.88 1p1i s PHE 94 Ca 0.50 -0.97 -0.19 0.00 -0.05 0.00 0.00 56.93 56.22 1p1i s PHE 94 Cb -0.10 -0.36 -0.07 0.00 -0.63 0.00 0.00 43.02 41.85 1p1i s PHE 94 CO 0.42 -0.34 0.62 -0.65 -0.05 0.00 0.00 175.22 175.22 1p1i s GLN 95 N -3.48 4.20 0.20 1.99 -1.52 -1.26 -0.59 119.66 119.20 1p1i s GLN 95 Ca 0.03 0.76 -0.10 0.00 -1.95 0.00 0.00 55.36 54.10 1p1i s GLN 95 Cb 0.05 -3.08 -0.01 0.00 -0.22 0.00 0.00 33.01 29.75 1p1i s GLN 95 CO -0.08 0.53 0.36 0.95 -0.25 0.00 0.00 175.29 176.81 1p1i s THR 96 N -1.30 0.03 0.36 -0.19 -4.23 -0.84 -4.54 115.64 104.93 1p1i s THR 96 Ca 0.35 -1.42 0.09 0.00 -1.18 0.00 0.00 61.69 59.53 1p1i s THR 96 Cb -0.18 -2.05 0.32 0.00 1.34 0.00 0.00 72.50 71.93 1p1i s THR 96 CO 0.20 -0.13 1.89 0.11 -0.54 0.00 0.00 174.62 176.16 1p1i h LYS 97 N 2.41 0.67 -0.14 3.99 1.57 -2.02 0.46 116.57 123.50 1p1i h LYS 97 Ca -0.30 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.44 1p1i h LYS 97 Cb 1.24 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.40 1p1i h LYS 97 CO 0.43 0.44 0.00 0.39 -0.57 0.00 0.00 179.45 180.14 1p1i n GLU 98 N -4.54 1.33 0.00 3.15 4.71 -1.26 -5.02 120.64 119.02 1p1i n GLU 98 Ca 0.16 -0.52 0.00 0.00 -0.01 0.00 0.00 57.16 56.79 1p1i n GLU 98 Cb 0.42 -1.12 0.00 0.00 -1.01 0.00 0.00 31.44 29.73 1p1i n GLU 98 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1p1i n GLY 99 N 0.74 -1.75 3.76 0.62 0.00 0.16 -4.97 105.19 103.75 1p1i n GLY 99 Ca 0.05 -1.97 -0.41 0.00 0.00 0.00 0.00 46.02 43.69 1p1i n GLY 99 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1p1i s VAL 100 N -0.01 3.05 0.12 1.61 1.01 -1.26 -1.98 120.40 122.93 1p1i s VAL 100 Ca 0.00 0.99 0.10 0.00 0.00 0.00 0.00 61.98 63.07 1p1i s VAL 100 Cb 0.00 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 1p1i s VAL 100 CO 0.00 0.21 -0.24 -0.54 0.00 0.00 0.00 175.10 174.53 1p1i s LYS 101 N -1.22 1.28 -0.20 2.72 -0.14 0.25 -4.96 119.74 117.47 1p1i s LYS 101 Ca 0.50 -1.26 -0.08 0.00 -1.36 0.00 0.00 55.97 53.77 1p1i s LYS 101 Cb -0.37 -1.67 -0.04 0.00 -1.68 0.00 0.00 37.83 34.07 1p1i s LYS 101 CO 0.46 0.39 0.09 -0.65 -0.76 0.00 0.00 175.35 174.88 1p1i s GLN 102 N -1.97 4.01 0.96 1.68 -1.52 -1.26 -1.93 119.66 119.62 1p1i s GLN 102 Ca 0.11 -0.32 -0.11 0.00 -1.95 0.00 0.00 55.36 53.08 1p1i s GLN 102 Cb -0.10 -3.30 0.13 0.00 -0.22 0.00 0.00 33.01 29.52 1p1i s GLN 102 CO 0.05 0.22 0.89 -0.35 -0.25 0.00 0.00 175.29 175.85 1p1i n PRO 103 N 3.73 -0.64 -3.82 2.91 -0.04 -1.26 -5.03 135.00 130.85 1p1i n PRO 103 Ca -0.16 -0.13 -0.02 0.00 -0.04 0.00 0.00 63.50 63.14 1p1i n PRO 103 Cb 0.52 -2.19 0.01 0.00 -0.04 0.00 0.00 33.50 31.79 1p1i n PRO 103 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1p1i s ASN 104 N -2.42 -0.05 -0.51 3.54 2.20 -1.26 -4.94 114.94 111.49 1p1i s ASN 104 Ca 0.64 -0.51 0.03 0.00 -0.94 0.00 0.00 52.86 52.08 1p1i s ASN 104 Cb -0.22 0.44 0.42 0.00 -2.00 0.00 0.00 41.25 39.89 1p1i s ASN 104 CO 0.62 -0.85 1.44 -1.22 -2.94 0.00 0.00 177.10 174.15 1p1i n TYR 105 N -0.63 3.13 -1.73 1.54 4.02 -1.26 -4.95 117.16 117.28 1p1i n TYR 105 Ca -0.04 -2.71 -0.42 0.00 -0.01 0.00 0.00 57.90 54.72 1p1i n TYR 105 Cb 0.60 -0.56 -0.02 0.00 -0.02 0.00 0.00 39.34 39.34 1p1i n TYR 105 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 1p1i n PHE 106 N -0.61 2.80 0.00 -0.72 3.01 -1.26 -1.85 117.46 118.83 1p1i n PHE 106 Ca 0.47 0.15 0.00 0.00 1.01 0.00 0.00 57.45 59.08 1p1i n PHE 106 Cb 0.65 -2.63 0.00 0.00 -0.01 0.00 0.00 39.48 37.49 1p1i n PHE 106 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1p1i n GLY 107 N 3.03 2.19 3.65 1.37 0.00 -1.26 -4.86 105.19 109.31 1p1i n GLY 107 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 1p1i n GLY 107 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1p1i s SER 108 N -1.49 6.79 0.15 1.61 0.15 -0.77 -4.62 113.70 115.52 1p1i s SER 108 Ca 0.00 0.98 -0.14 0.00 0.70 0.00 0.00 55.95 57.49 1p1i s SER 108 Cb 0.00 -2.41 0.03 0.00 -1.71 0.00 0.00 66.02 61.93 1p1i s SER 108 CO 0.00 -0.43 1.69 -0.03 1.20 0.00 0.00 173.24 175.66 1p1i h MET 109 N 7.62 0.76 -0.07 5.44 4.05 -1.89 0.31 114.93 131.15 1p1i h MET 109 Ca -0.26 -0.16 -0.11 0.00 -0.28 0.00 0.00 59.70 58.89 1p1i h MET 109 Cb 1.11 -0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 31.78 1p1i h MET 109 CO 0.83 0.70 -0.46 1.79 0.23 0.00 0.00 176.91 180.01 1p1i h THR 110 N 0.67 1.33 0.09 -0.77 1.35 -1.92 -1.94 112.91 111.72 1p1i h THR 110 Ca 0.16 -1.62 -0.35 0.00 -0.55 0.00 0.00 66.41 64.06 1p1i h THR 110 Cb 0.25 1.78 -0.03 0.00 -1.73 0.00 0.00 68.15 68.42 1p1i h THR 110 CO -0.01 0.48 -1.97 0.00 -0.25 0.00 0.00 175.52 173.77 1p1i n GLN 111 N -3.99 0.72 -0.05 4.72 3.00 -1.14 -3.54 117.38 117.10 1p1i n GLN 111 Ca -0.02 0.26 0.03 0.00 -0.01 0.00 0.00 57.00 57.26 1p1i n GLN 111 Cb 0.50 -1.71 0.05 0.00 0.00 0.00 0.00 30.24 29.08 1p1i n GLN 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1p1i s SER 113 N -0.75 5.91 0.18 0.00 0.15 -0.73 -4.99 113.70 113.46 1p1i s SER 113 Ca 0.09 -0.19 0.03 0.00 0.70 0.00 0.00 55.95 56.58 1p1i s SER 113 Cb 0.05 -1.34 -0.05 0.00 -1.71 0.00 0.00 66.02 62.98 1p1i s SER 113 CO 0.07 -0.31 -0.02 0.42 1.20 0.00 0.00 173.24 174.60 1p1i s THR 114 N -2.15 0.85 0.18 6.45 -4.23 -1.26 -1.04 115.64 114.44 1p1i s THR 114 Ca 0.41 -2.00 0.09 0.00 -1.18 0.00 0.00 61.69 59.00 1p1i s THR 114 Cb -0.09 -2.11 -0.04 0.00 1.34 0.00 0.00 72.50 71.60 1p1i s THR 114 CO 0.29 -0.50 -0.18 -0.76 -0.54 0.00 0.00 174.62 172.93 1p1i s LEU 115 N -3.20 2.48 -0.37 4.79 1.43 0.32 -4.73 118.68 119.40 1p1i s LEU 115 Ca 0.23 -0.91 -0.23 0.00 -1.03 0.00 0.00 54.13 52.19 1p1i s LEU 115 Cb 0.05 -0.84 0.01 0.00 0.03 0.00 0.00 46.19 45.44 1p1i s LEU 115 CO 0.04 -0.05 0.77 -0.75 0.23 0.00 0.00 176.35 176.60 1p1i s LYS 116 N -3.02 3.72 0.03 1.70 2.36 -1.26 -0.61 119.74 122.65 1p1i s LYS 116 Ca 0.19 0.26 0.10 0.00 -2.55 0.00 0.00 55.97 53.96 1p1i s LYS 116 Cb -0.05 -3.82 -0.22 0.00 -1.05 0.00 0.00 37.83 32.69 1p1i s LYS 116 CO 0.08 -0.86 0.92 -0.07 1.55 0.00 0.00 175.35 176.97 1p1i h LEU 117 N 9.73 0.01 0.00 5.43 3.38 -1.19 -3.49 115.31 129.18 1p1i h LEU 117 Ca -0.25 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1p1i h LEU 117 Cb 1.09 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1p1i h LEU 117 CO 0.91 1.01 0.00 0.61 0.09 0.00 0.00 178.44 181.06 1p1i n GLY 118 N 1.47 -0.44 3.54 0.83 0.00 -1.22 -5.02 105.19 104.34 1p1i n GLY 118 Ca -0.10 -0.95 -0.25 0.00 0.00 0.00 0.00 46.02 44.72 1p1i n GLY 118 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1p1i s ILE 119 N -3.58 2.92 0.00 -0.61 -4.36 -1.26 0.74 121.20 115.05 1p1i s ILE 119 Ca 0.00 -1.99 0.00 0.00 -0.26 0.00 0.00 60.65 58.40 1p1i s ILE 119 Cb 0.00 -2.49 0.00 0.00 1.25 0.00 0.00 42.46 41.22 1p1i s ILE 119 CO 0.00 -0.25 0.00 -0.90 0.24 0.00 0.00 174.94 174.03 1p1i n ASP 120 N -0.33 0.00 -0.11 4.36 3.85 0.38 -4.86 116.55 119.85 1p1i n ASP 120 Ca -0.08 -0.21 -0.06 0.00 -0.71 0.00 0.00 54.79 53.73 1p1i n ASP 120 Cb 0.58 0.00 0.01 0.00 -1.35 0.00 0.00 41.12 40.35 1p1i n ASP 120 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1p1i h ALA 121 N -1.05 0.14 0.00 2.12 0.00 -2.01 -2.17 119.26 116.29 1p1i h ALA 121 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1p1i h ALA 121 Cb 0.00 0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1p1i h ALA 121 CO 0.00 -0.53 0.00 -0.85 0.00 0.00 0.00 179.25 177.87 1p1i n GLU 122 N -5.35 0.02 0.00 0.00 0.00 -1.26 -4.88 120.64 109.17 1p1i n GLU 122 Ca 0.02 0.12 0.00 0.00 0.00 0.00 0.00 57.16 57.30 1p1i n GLU 122 Cb 0.26 -1.53 0.00 0.00 0.00 0.00 0.00 31.44 30.17 1p1i n GLU 122 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1p1i n GLY 123 N 0.88 1.01 3.89 -1.84 0.00 -0.82 -5.10 105.19 103.22 1p1i n GLY 123 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 1p1i n GLY 123 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1p1i s ASN 124 N -2.00 6.51 0.27 1.61 0.01 -1.26 -4.75 114.94 115.32 1p1i s ASN 124 Ca 0.00 0.89 -0.29 0.00 -0.71 0.00 0.00 52.86 52.75 1p1i s ASN 124 Cb 0.00 -2.22 -0.10 0.00 0.41 0.00 0.00 41.25 39.35 1p1i s ASN 124 CO 0.00 -0.24 1.31 -1.81 -1.51 0.00 0.00 177.10 174.85 1p1i s ASP 125 N -3.00 6.85 -0.22 -1.22 1.01 -1.26 -0.47 116.67 118.36 1p1i s ASP 125 Ca 0.47 2.54 -0.03 0.00 0.71 0.00 0.00 52.55 56.24 1p1i s ASP 125 Cb -0.11 -2.63 -0.00 0.00 1.01 0.00 0.00 42.92 41.19 1p1i s ASP 125 CO 0.28 -0.52 -0.06 -0.69 0.21 0.00 0.00 175.17 174.40 1p1i s VAL 126 N -0.52 3.21 0.13 -1.27 1.01 0.23 -4.83 120.40 118.35 1p1i s VAL 126 Ca 0.53 -0.55 0.06 0.00 0.00 0.00 0.00 61.98 62.02 1p1i s VAL 126 Cb -0.38 -2.45 -0.04 0.00 0.00 0.00 0.00 36.38 33.51 1p1i s VAL 126 CO 0.45 0.44 0.01 -0.31 0.00 0.00 0.00 175.10 175.68 1p1i s TYR 127 N 1.46 2.94 0.01 5.22 1.51 -1.26 -0.56 117.35 126.67 1p1i s TYR 127 Ca 0.06 -0.07 -0.07 0.00 -1.01 0.00 0.00 57.07 55.97 1p1i s TYR 127 Cb -0.14 -1.47 -0.00 0.00 -0.11 0.00 0.00 41.96 40.24 1p1i s TYR 127 CO -0.04 0.49 0.14 0.00 -1.11 0.00 0.00 175.55 175.02 1p1i s ALA 128 N -1.49 -0.28 0.46 3.71 0.00 0.22 -4.92 121.76 119.46 1p1i s ALA 128 Ca 0.26 -0.23 -0.22 0.00 0.00 0.00 0.00 51.96 51.77 1p1i s ALA 128 Cb -0.11 0.16 -0.11 0.00 0.00 0.00 0.00 23.12 23.07 1p1i s ALA 128 CO 0.19 -0.25 0.77 -2.30 0.00 0.00 0.00 175.76 174.16 1p1i n PRO 129 N 1.22 0.89 -0.11 0.00 -0.02 -1.26 0.12 135.00 135.84 1p1i n PRO 129 Ca -0.22 0.33 -0.05 0.00 -2.02 0.00 0.00 63.50 61.54 1p1i n PRO 129 Cb 0.56 -1.80 0.01 0.00 -0.02 0.00 0.00 33.50 32.26 1p1i n PRO 129 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 1p1i h PHE 130 N 0.99 -0.11 0.00 6.00 3.57 -1.32 -1.85 116.94 124.21 1p1i h PHE 130 Ca -0.43 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.10 1p1i h PHE 130 Cb 1.37 0.11 0.00 0.00 2.79 0.00 0.00 35.95 40.22 1p1i h PHE 130 CO 0.38 -0.12 0.00 -2.95 -2.23 0.00 0.00 178.31 173.40 1p1i h ASN 131 N 0.04 0.00 0.26 0.41 -0.00 -1.82 -3.34 115.58 111.14 1p1i h ASN 131 Ca 0.18 0.00 -0.02 0.00 -0.00 0.00 0.00 56.30 56.45 1p1i h ASN 131 Cb 0.26 0.00 -0.00 0.00 -0.00 0.00 0.00 38.32 38.58 1p1i h ASN 131 CO -0.34 0.00 -0.12 0.77 -0.00 0.00 0.00 177.43 177.74 1p1i h SER 132 N 0.00 0.00 0.00 6.14 4.64 -1.62 -3.37 113.55 119.34 1p1i h SER 132 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1p1i h SER 132 Cb 0.65 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.74 1p1i h SER 132 CO 0.00 0.12 0.00 0.18 -0.87 0.00 0.00 176.83 176.26 1p1i n LEU 133 N -3.83 0.00 0.00 5.97 4.32 -1.25 -3.15 117.00 119.06 1p1i n LEU 133 Ca -0.02 0.22 -0.07 0.00 -0.02 0.00 0.00 56.01 56.12 1p1i n LEU 133 Cb 0.21 0.00 0.04 0.00 -1.62 0.00 0.00 43.42 42.06 1p1i n LEU 133 CO 0.31 0.00 0.20 0.18 -1.22 0.00 0.00 177.39 176.86 1p1i n LEU 134 N -0.23 0.00 -4.78 2.23 4.77 -1.26 -4.03 117.00 113.70 1p1i n LEU 134 Ca 0.00 -0.54 -0.36 0.00 -0.03 0.00 0.00 56.01 55.09 1p1i n LEU 134 Cb 0.00 -0.23 -0.07 0.00 -2.33 0.00 0.00 43.42 40.79 1p1i n LEU 134 CO 0.00 -0.69 -0.19 -2.16 -1.33 0.00 0.00 177.39 173.02 1p1i s PRO 135 N -3.42 3.78 0.10 3.23 0.04 -1.26 -4.95 135.00 132.51 1p1i s PRO 135 Ca 0.20 -0.20 0.04 0.00 0.04 0.00 0.00 61.00 61.08 1p1i s PRO 135 Cb -0.01 -3.27 -0.04 0.00 0.04 0.00 0.00 34.50 31.23 1p1i s PRO 135 CO 0.14 0.53 -0.11 -1.64 0.04 0.00 0.00 177.00 175.96 1p1i s MET 136 N -0.31 0.85 0.21 4.56 -1.94 -1.26 -4.96 119.30 116.45 1p1i s MET 136 Ca 0.11 -1.14 -0.30 0.00 -1.71 0.00 0.00 55.69 52.65 1p1i s MET 136 Cb -0.12 -0.58 -0.08 0.00 2.01 0.00 0.00 34.83 36.06 1p1i s MET 136 CO 0.01 0.10 0.96 0.08 -0.01 0.00 0.00 175.02 176.15 1p1i s VAL 137 N -2.29 4.13 0.32 -6.03 1.01 -1.26 -5.04 120.40 111.25 1p1i s VAL 137 Ca 0.05 2.05 -0.20 0.00 0.00 0.00 0.00 61.98 63.87 1p1i s VAL 137 Cb -0.04 -4.30 -0.09 0.00 0.00 0.00 0.00 36.38 31.94 1p1i s VAL 137 CO 0.01 0.45 0.84 -0.55 0.00 0.00 0.00 175.10 175.84 1p1i s SER 138 N -0.89 7.03 0.00 3.32 0.15 -1.26 -4.86 113.70 117.19 1p1i s SER 138 Ca 0.43 1.55 0.16 0.00 0.70 0.00 0.00 55.95 58.79 1p1i s SER 138 Cb -0.26 -2.48 0.69 0.00 -1.71 0.00 0.00 66.02 62.26 1p1i s SER 138 CO 0.32 -0.15 1.50 -0.81 1.20 0.00 0.00 173.24 175.30 1p1i n PRO 139 N 0.08 0.02 0.16 5.44 -0.04 -1.26 -1.47 135.00 137.93 1p1i n PRO 139 Ca 0.02 0.22 0.13 0.00 -0.04 0.00 0.00 63.50 63.83 1p1i n PRO 139 Cb 0.52 -1.50 0.37 0.00 -0.04 0.00 0.00 33.50 32.85 1p1i n PRO 139 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 1p1i h ASN 140 N 0.00 0.00 -0.57 3.54 2.35 -1.92 -2.88 115.58 116.10 1p1i h ASN 140 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1p1i h ASN 140 Cb 0.26 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.63 1p1i h ASN 140 CO 0.00 0.00 0.00 0.47 -1.65 0.00 0.00 177.43 176.25 1p1i n ASP 141 N -2.60 5.59 -4.77 5.81 8.00 -0.54 -4.87 116.55 123.16 1p1i n ASP 141 Ca 0.04 -2.89 -0.39 0.00 0.71 0.00 0.00 54.79 52.26 1p1i n ASP 141 Cb 0.43 -0.67 -0.06 0.00 -0.02 0.00 0.00 41.12 40.80 1p1i n ASP 141 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1p1i s PHE 142 N -2.68 3.83 -0.27 1.24 2.99 -1.09 -0.82 117.98 121.19 1p1i s PHE 142 Ca 0.54 1.51 0.02 0.00 0.00 0.00 0.00 56.93 58.99 1p1i s PHE 142 Cb 0.41 -2.73 0.06 0.00 0.00 0.00 0.00 43.02 40.75 1p1i s PHE 142 CO 0.17 0.45 -0.08 0.08 -0.00 0.00 0.00 175.22 175.83 1p1i s VAL 143 N -0.76 2.40 -0.09 -0.44 1.01 -0.18 -4.92 120.40 117.41 1p1i s VAL 143 Ca 0.35 -1.55 0.01 0.00 0.00 0.00 0.00 61.98 60.79 1p1i s VAL 143 Cb -0.22 -2.39 -0.02 0.00 0.00 0.00 0.00 36.38 33.75 1p1i s VAL 143 CO 0.24 -0.04 -0.10 0.54 0.00 0.00 0.00 175.10 175.74 1p1i s VAL 144 N 1.15 3.39 0.00 2.92 0.11 -1.26 0.13 120.40 126.84 1p1i s VAL 144 Ca -0.08 -0.58 0.00 0.00 -2.93 0.00 0.00 61.98 58.40 1p1i s VAL 144 Cb -0.20 -2.39 0.00 0.00 -1.53 0.00 0.00 36.38 32.26 1p1i s VAL 144 CO -0.04 0.57 0.00 -0.24 -3.33 0.00 0.00 175.10 172.06 1p1i n SER 145 N 2.71 0.00 0.00 3.54 2.88 0.12 -4.98 113.62 117.90 1p1i n SER 145 Ca -0.18 -0.60 0.00 0.00 -1.33 0.00 0.00 58.87 56.76 1p1i n SER 145 Cb 0.53 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 1p1i n SER 145 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1p1i n GLY 146 N 0.00 -0.93 3.72 0.46 0.00 -1.26 -1.34 105.19 105.85 1p1i n GLY 146 Ca 0.00 -1.63 -0.23 0.00 0.00 0.00 0.00 46.02 44.16 1p1i n GLY 146 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1p1i s TRP 147 N -1.57 2.88 -0.29 1.61 0.51 -0.80 -0.89 118.94 120.39 1p1i s TRP 147 Ca 0.00 -0.17 -0.16 0.00 -2.12 0.00 0.00 56.10 53.65 1p1i s TRP 147 Cb 0.00 -1.29 0.15 0.00 -0.81 0.00 0.00 33.47 31.52 1p1i s TRP 147 CO 0.00 0.58 1.01 0.34 -0.51 0.00 0.00 176.95 178.37 1p1i s ASP 148 N -3.73 -0.45 0.43 2.95 3.68 -0.35 0.92 116.67 120.12 1p1i s ASP 148 Ca 0.32 0.72 0.29 0.00 2.13 0.00 0.00 52.55 56.01 1p1i s ASP 148 Cb -0.07 1.20 1.56 0.00 -1.45 0.00 0.00 42.92 44.16 1p1i s ASP 148 CO 0.22 -0.11 1.88 0.16 0.13 0.00 0.00 175.17 177.45 1p1i h ILE 149 N 5.02 0.00 -3.55 4.11 3.07 -1.83 -3.35 117.51 120.98 1p1i h ILE 149 Ca -0.27 -0.01 -0.67 0.00 1.55 0.00 0.00 64.86 65.46 1p1i h ILE 149 Cb 1.19 0.65 -0.21 0.00 -0.27 0.00 0.00 36.82 38.18 1p1i h ILE 149 CO 0.20 0.00 -0.70 0.21 -1.05 0.00 0.00 178.15 176.81 1p1i s ASN 150 N -4.39 4.58 -0.19 2.16 2.47 -1.25 -0.89 114.94 117.43 1p1i s ASN 150 Ca -0.03 -0.09 0.13 0.00 0.42 0.00 0.00 52.86 53.29 1p1i s ASN 150 Cb 0.08 -1.36 0.71 0.00 -1.45 0.00 0.00 41.25 39.23 1p1i s ASN 150 CO 0.27 0.29 1.58 -0.46 -3.72 0.00 0.00 177.10 175.06 1p1i n ASN 151 N 2.70 4.99 -4.75 -4.21 2.04 -1.26 -4.84 115.26 109.93 1p1i n ASN 151 Ca -0.18 -2.74 -0.41 0.00 -0.44 0.00 0.00 54.58 50.81 1p1i n ASN 151 Cb 0.53 -0.64 -0.02 0.00 -2.53 0.00 0.00 39.78 37.12 1p1i n ASN 151 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1p1i s ALA 152 N -2.41 3.69 0.98 -2.53 0.00 -1.26 -4.66 121.76 115.57 1p1i s ALA 152 Ca 0.47 1.45 -0.11 0.00 0.00 0.00 0.00 51.96 53.78 1p1i s ALA 152 Cb 0.35 -3.60 0.18 0.00 0.00 0.00 0.00 23.12 20.05 1p1i s ALA 152 CO 0.15 -0.87 1.11 -0.40 0.00 0.00 0.00 175.76 175.76 1p1i n ASP 153 N 2.22 -0.19 0.01 0.00 3.85 -1.26 -4.48 116.55 116.69 1p1i n ASP 153 Ca 0.07 0.27 0.06 0.00 -0.71 0.00 0.00 54.79 54.48 1p1i n ASP 153 Cb 0.39 -1.42 0.25 0.00 -1.35 0.00 0.00 41.12 38.98 1p1i n ASP 153 CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.20 176.37 1p1i n LEU 154 N -4.42 0.03 0.15 -2.12 4.32 0.15 -1.25 117.00 113.85 1p1i n LEU 154 Ca 0.10 0.51 -0.08 0.00 -0.02 0.00 0.00 56.01 56.52 1p1i n LEU 154 Cb 0.52 -0.51 -0.04 0.00 -1.62 0.00 0.00 43.42 41.78 1p1i n LEU 154 CO 0.51 -0.33 0.22 0.22 -1.22 0.00 0.00 177.39 176.79 1p1i h TYR 155 N 0.00 -0.42 -1.00 -1.77 3.20 -1.81 -1.66 116.97 113.51 1p1i h TYR 155 Ca 0.00 -0.01 0.19 0.00 3.14 0.00 0.00 58.73 62.05 1p1i h TYR 155 Cb 0.19 0.14 -0.11 0.00 1.54 0.00 0.00 36.73 38.49 1p1i h TYR 155 CO 0.00 -0.22 0.60 0.93 -1.64 0.00 0.00 178.16 177.83 1p1i h GLU 156 N -1.10 0.73 -0.91 1.82 5.08 -1.82 0.66 114.58 119.04 1p1i h GLU 156 Ca -0.05 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1p1i h GLU 156 Cb 0.39 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.44 1p1i h GLU 156 CO 0.08 0.48 0.53 0.00 -1.00 0.00 0.00 179.01 179.10 1p1i h ALA 157 N 1.65 1.23 -0.08 3.43 0.00 -1.16 0.94 119.26 125.27 1p1i h ALA 157 Ca 0.58 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.37 1p1i h ALA 157 Cb 0.91 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 1p1i h ALA 157 CO -0.39 0.65 0.02 1.98 0.00 0.00 0.00 179.25 181.51 1p1i h MET 158 N 1.26 0.12 -0.51 0.00 -1.53 0.12 -1.42 114.93 112.97 1p1i h MET 158 Ca 0.32 -0.03 0.04 0.00 -3.44 0.00 0.00 59.70 56.59 1p1i h MET 158 Cb -0.03 -0.02 -0.04 0.00 -0.55 0.00 0.00 31.60 30.96 1p1i h MET 158 CO -0.06 0.33 0.28 1.96 0.14 0.00 0.00 176.91 179.56 1p1i h GLN 159 N -0.10 0.52 -0.00 0.39 4.20 -0.42 -2.06 115.11 117.64 1p1i h GLN 159 Ca 0.02 -0.03 -0.05 0.00 0.06 0.00 0.00 58.65 58.65 1p1i h GLN 159 Cb 0.26 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 1p1i h GLN 159 CO 0.00 0.35 -0.24 -0.09 -0.67 0.00 0.00 178.83 178.18 1p1i h ARG 160 N 0.54 0.01 0.00 1.46 2.43 -0.70 -3.09 114.38 115.02 1p1i h ARG 160 Ca 0.22 -0.00 -0.20 0.00 -0.81 0.00 0.00 59.98 59.19 1p1i h ARG 160 Cb 0.10 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.62 1p1i h ARG 160 CO -0.14 0.25 -0.94 0.77 -1.51 0.00 0.00 179.97 178.40 1p1i h SER 161 N 0.01 0.00 -6.21 -3.80 0.02 -0.55 -3.48 113.55 99.53 1p1i h SER 161 Ca -0.00 0.00 -0.45 0.00 -0.84 0.00 0.00 61.79 60.50 1p1i h SER 161 Cb 0.43 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.97 1p1i h SER 161 CO 0.03 0.94 -0.79 0.00 -1.14 0.00 0.00 176.83 175.87 1p1i n GLN 162 N -3.40 -5.26 -0.01 3.45 6.02 -1.02 -4.67 117.38 112.49 1p1i n GLN 162 Ca -0.00 0.61 0.04 0.00 -0.01 0.00 0.00 57.00 57.63 1p1i n GLN 162 Cb 0.89 -5.34 -0.07 0.00 1.02 0.00 0.00 30.24 26.74 1p1i n GLN 162 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 1p1i n VAL 163 N -4.51 0.06 -4.28 5.09 0.24 -1.26 -4.53 118.33 109.12 1p1i n VAL 163 Ca -0.11 -0.22 -0.32 0.00 -2.04 0.00 0.00 64.34 61.64 1p1i n VAL 163 Cb 0.60 0.19 -0.09 0.00 -1.47 0.00 0.00 33.84 33.07 1p1i n VAL 163 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1p1i s LEU 164 N -3.73 3.48 0.18 1.34 1.02 -1.26 -5.01 118.68 114.70 1p1i s LEU 164 Ca -0.03 -0.04 -0.32 0.00 0.02 0.00 0.00 54.13 53.76 1p1i s LEU 164 Cb 0.06 -2.02 -0.16 0.00 0.02 0.00 0.00 46.19 44.09 1p1i s LEU 164 CO 0.38 0.27 1.01 -0.62 0.02 0.00 0.00 176.35 177.41 1p1i n GLU 165 N 1.33 0.85 -0.34 1.70 -0.58 -1.26 -4.70 120.64 117.63 1p1i n GLU 165 Ca -0.14 0.30 0.03 0.00 -0.42 0.00 0.00 57.16 56.93 1p1i n GLU 165 Cb 0.53 -1.69 0.19 0.00 -0.57 0.00 0.00 31.44 29.90 1p1i n GLU 165 CO 0.00 0.00 0.00 -0.92 -0.48 0.00 0.00 177.13 175.73 1p1i h TYR 166 N 2.69 1.15 -0.40 -0.32 3.20 -1.97 0.20 116.97 121.53 1p1i h TYR 166 Ca -0.41 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.42 1p1i h TYR 166 Cb 1.37 -0.38 -0.01 0.00 1.54 0.00 0.00 36.73 39.25 1p1i h TYR 166 CO 0.51 0.61 -0.05 0.22 -1.64 0.00 0.00 178.16 177.82 1p1i h ASP 167 N 1.14 0.73 -0.24 -2.11 1.82 -1.90 0.35 116.42 116.21 1p1i h ASP 167 Ca 0.41 -0.34 0.00 0.00 -0.39 0.00 0.00 57.03 56.72 1p1i h ASP 167 Cb 0.14 -0.20 -0.01 0.00 0.68 0.00 0.00 39.33 39.94 1p1i h ASP 167 CO -0.15 0.89 0.15 0.25 -1.61 0.00 0.00 179.24 178.77 1p1i h LEU 168 N 0.55 0.26 -1.06 2.28 6.46 -1.71 0.62 115.31 122.72 1p1i h LEU 168 Ca 0.11 -0.00 0.14 0.00 -0.12 0.00 0.00 57.88 58.00 1p1i h LEU 168 Cb 0.55 -0.06 -0.09 0.00 -0.73 0.00 0.00 40.66 40.33 1p1i h LEU 168 CO 0.03 0.19 0.62 1.56 -0.62 0.00 0.00 178.44 180.22 1p1i h GLN 169 N 0.32 0.88 -0.06 1.25 4.20 -0.30 -1.49 115.11 119.91 1p1i h GLN 169 Ca 0.09 -0.05 -0.10 0.00 0.06 0.00 0.00 58.65 58.65 1p1i h GLN 169 Cb -0.03 -0.20 0.01 0.00 0.30 0.00 0.00 27.48 27.56 1p1i h GLN 169 CO -0.03 0.58 -0.35 1.96 -0.67 0.00 0.00 178.83 180.32 1p1i h GLN 170 N 0.90 0.34 -0.24 1.46 1.08 -0.25 -2.55 115.11 115.85 1p1i h GLN 170 Ca 0.50 -0.29 0.07 0.00 -1.45 0.00 0.00 58.65 57.49 1p1i h GLN 170 Cb 0.60 0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 28.09 1p1i h GLN 170 CO -0.27 0.94 0.25 0.00 -0.95 0.00 0.00 178.83 178.80 1p1i h ARG 171 N -0.18 0.00 -0.02 1.46 3.08 -0.11 0.73 114.38 119.35 1p1i h ARG 171 Ca -0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1p1i h ARG 171 Cb 1.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.07 1p1i h ARG 171 CO 0.07 0.00 -0.30 1.28 -1.07 0.00 0.00 179.97 179.95 1p1i n LEU 172 N -3.83 2.38 -0.18 3.04 4.77 -0.64 -4.60 117.00 117.94 1p1i n LEU 172 Ca 0.03 -0.85 -0.05 0.00 -0.03 0.00 0.00 56.01 55.11 1p1i n LEU 172 Cb 0.39 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.49 1p1i n LEU 172 CO 0.28 0.42 0.66 0.50 -1.33 0.00 0.00 177.39 177.92 1p1i h LYS 173 N 3.26 -0.15 -0.29 3.23 3.64 -0.40 0.09 116.57 125.94 1p1i h LYS 173 Ca 0.00 0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.46 1p1i h LYS 173 Cb 0.84 0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 32.63 1p1i h LYS 173 CO 0.00 -0.10 -0.20 0.00 -2.27 0.00 0.00 179.45 176.88 1p1i h ALA 174 N 1.05 -0.00 0.02 5.00 0.00 -1.81 0.75 119.26 124.27 1p1i h ALA 174 Ca 0.23 0.10 -0.24 0.00 0.00 0.00 0.00 54.91 55.00 1p1i h ALA 174 Cb 0.53 0.44 0.01 0.00 0.00 0.00 0.00 17.79 18.76 1p1i h ALA 174 CO -0.63 -0.60 -1.00 0.87 0.00 0.00 0.00 179.25 177.90 1p1i h LYS 175 N -0.17 0.42 -0.07 0.00 1.57 -1.82 -3.23 116.57 113.28 1p1i h LYS 175 Ca 0.15 -0.48 -0.08 0.00 -1.87 0.00 0.00 60.65 58.37 1p1i h LYS 175 Cb 0.41 0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 1p1i h LYS 175 CO -0.39 1.15 -0.31 0.52 -0.57 0.00 0.00 179.45 179.84 1p1i h MET 176 N 0.22 0.12 -0.34 3.15 2.86 -0.74 -2.51 114.93 117.70 1p1i h MET 176 Ca -0.09 -0.04 -0.05 0.00 -2.06 0.00 0.00 59.70 57.45 1p1i h MET 176 Cb 1.65 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 33.28 1p1i h MET 176 CO 0.17 0.43 -0.00 0.77 1.06 0.00 0.00 176.91 179.34 1p1i h SER 177 N 0.11 0.49 -0.37 1.22 0.02 -0.86 -2.49 113.55 111.66 1p1i h SER 177 Ca 0.01 -0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 60.86 1p1i h SER 177 Cb 0.61 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 63.01 1p1i h SER 177 CO 0.04 0.56 0.21 -0.07 -1.14 0.00 0.00 176.83 176.43 1p1i h LEU 178 N 0.50 0.48 -8.94 5.07 3.38 -1.52 -3.42 115.31 110.87 1p1i h LEU 178 Ca 0.11 -0.03 -0.57 0.00 0.09 0.00 0.00 57.88 57.48 1p1i h LEU 178 Cb 0.33 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 40.90 1p1i h LEU 178 CO 0.01 0.40 0.90 -0.69 0.09 0.00 0.00 178.44 179.15 1p1i s VAL 179 N -5.37 4.33 -0.07 1.22 1.01 -0.95 -4.98 120.40 115.59 1p1i s VAL 179 Ca -0.08 1.51 0.03 0.00 0.00 0.00 0.00 61.98 63.44 1p1i s VAL 179 Cb 0.17 -4.32 0.01 0.00 0.00 0.00 0.00 36.38 32.23 1p1i s VAL 179 CO 0.74 -0.52 -0.16 -0.75 0.00 0.00 0.00 175.10 174.41 1p1i s LYS 180 N 3.93 2.10 0.64 2.72 2.20 -1.26 0.31 119.74 130.38 1p1i s LYS 180 Ca 0.50 -0.56 -0.17 0.00 -0.36 0.00 0.00 55.97 55.38 1p1i s LYS 180 Cb -0.14 -1.68 -0.01 0.00 -1.51 0.00 0.00 37.83 34.49 1p1i s LYS 180 CO 0.20 0.09 1.18 -2.14 -0.36 0.00 0.00 175.35 174.31 1p1i s PRO 181 N 0.52 2.76 0.51 4.03 0.02 -1.26 -4.92 135.00 136.66 1p1i s PRO 181 Ca -0.15 1.68 -0.12 0.00 0.02 0.00 0.00 61.00 62.43 1p1i s PRO 181 Cb -0.16 -1.92 -0.06 0.00 0.02 0.00 0.00 34.50 32.38 1p1i s PRO 181 CO 0.05 -1.33 0.91 -0.51 -0.33 0.00 0.00 177.00 175.79 1p1i s LEU 182 N -4.50 3.59 0.55 -5.54 1.43 -0.07 -4.81 118.68 109.32 1p1i s LEU 182 Ca 0.74 1.34 -0.21 0.00 -1.03 0.00 0.00 54.13 54.97 1p1i s LEU 182 Cb -0.27 -4.29 -0.05 0.00 0.03 0.00 0.00 46.19 41.61 1p1i s LEU 182 CO 0.37 -0.60 1.27 -2.16 0.23 0.00 0.00 176.35 175.46 1p1i s PRO 183 N -4.35 3.20 0.52 1.29 0.04 -1.26 -1.21 135.00 133.22 1p1i s PRO 183 Ca 0.55 2.00 0.00 0.00 0.04 0.00 0.00 61.00 63.59 1p1i s PRO 183 Cb -0.10 -2.17 -0.00 0.00 0.04 0.00 0.00 34.50 32.26 1p1i s PRO 183 CO 0.38 -1.07 0.01 0.45 0.04 0.00 0.00 177.00 176.81 1p1i n SER 184 N -1.12 3.25 -4.52 6.66 2.88 -0.55 -4.61 113.62 115.62 1p1i n SER 184 Ca 0.11 -3.29 -0.42 0.00 -1.33 0.00 0.00 58.87 53.94 1p1i n SER 184 Cb 0.47 0.43 -0.08 0.00 -0.75 0.00 0.00 64.21 64.28 1p1i n SER 184 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1p1i s ILE 185 N -2.91 5.07 -0.45 2.46 1.01 -1.26 -0.50 121.20 124.61 1p1i s ILE 185 Ca 0.02 -0.06 -0.07 0.00 0.00 0.00 0.00 60.65 60.54 1p1i s ILE 185 Cb 0.00 -3.99 0.11 0.00 0.01 0.00 0.00 42.46 38.60 1p1i s ILE 185 CO 0.01 -0.31 0.29 -0.47 0.00 0.00 0.00 174.94 174.46 1p1i s TYR 186 N 2.23 3.47 -0.78 3.97 5.04 -1.26 -4.81 117.35 125.21 1p1i s TYR 186 Ca 0.14 -2.03 -0.13 0.00 -2.44 0.00 0.00 57.07 52.62 1p1i s TYR 186 Cb -0.16 -3.38 0.21 0.00 0.35 0.00 0.00 41.96 38.97 1p1i s TYR 186 CO 0.14 -0.98 0.71 0.71 -1.34 0.00 0.00 175.55 174.78 1p1i s TYR 187 N 1.29 3.69 0.16 4.97 4.12 -1.26 -4.80 117.35 125.52 1p1i s TYR 187 Ca 0.06 -2.06 0.09 0.00 0.02 0.00 0.00 57.07 55.19 1p1i s TYR 187 Cb -0.25 -3.73 0.50 0.00 -1.52 0.00 0.00 41.96 36.96 1p1i s TYR 187 CO -0.02 -0.97 1.14 -1.00 0.02 0.00 0.00 175.55 174.72 1p1i h PRO 188 N 7.74 0.00 0.00 -1.71 0.13 -1.97 -0.59 132.00 135.60 1p1i h PRO 188 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 1p1i h PRO 188 Cb 1.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.16 1p1i h PRO 188 CO 0.76 0.00 -0.03 -3.47 -0.23 0.00 0.00 178.00 175.04 1p1i n ASP 189 N -1.99 0.39 -0.39 1.44 -0.08 -1.26 -3.67 116.55 110.99 1p1i n ASP 189 Ca -0.01 0.51 0.09 0.00 -1.51 0.00 0.00 54.79 53.87 1p1i n ASP 189 Cb 0.48 -0.60 -0.00 0.00 2.34 0.00 0.00 41.12 43.33 1p1i n ASP 189 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 1p1i n PHE 190 N -1.85 0.00 0.00 -0.67 3.01 -0.23 -4.88 117.46 112.84 1p1i n PHE 190 Ca 0.06 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.52 1p1i n PHE 190 Cb 0.38 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.85 1p1i n PHE 190 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 1p1i n ILE 191 N -0.11 0.00 -3.44 4.37 5.41 -1.24 -0.21 119.36 124.14 1p1i n ILE 191 Ca 0.07 0.00 -0.09 0.00 1.00 0.00 0.00 62.75 63.73 1p1i n ILE 191 Cb 0.36 0.00 -0.08 0.00 -0.71 0.00 0.00 39.64 39.21 1p1i n ILE 191 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1p1i s ALA 192 N -2.31 -1.11 0.15 -1.39 0.00 -1.26 -4.85 121.76 110.98 1p1i s ALA 192 Ca 0.00 1.08 0.00 0.00 0.00 0.00 0.00 51.96 53.05 1p1i s ALA 192 Cb 0.00 -1.57 0.03 0.00 0.00 0.00 0.00 23.12 21.57 1p1i s ALA 192 CO 0.00 -1.11 0.66 0.00 0.00 0.00 0.00 175.76 175.31 1p1i n ALA 193 N 5.37 0.04 0.66 0.00 0.00 -1.26 0.29 120.51 125.61 1p1i n ALA 193 Ca -0.05 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.42 1p1i n ALA 193 Cb 0.50 -0.05 0.11 0.00 0.00 0.00 0.00 19.45 20.01 1p1i n ALA 193 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1p1i n ASN 194 N -1.42 2.07 -2.10 0.00 4.13 -1.26 -3.06 115.26 113.62 1p1i n ASN 194 Ca -0.00 -2.20 -0.14 0.00 1.68 0.00 0.00 54.58 53.92 1p1i n ASN 194 Cb 0.61 -0.46 0.05 0.00 -1.54 0.00 0.00 39.78 38.43 1p1i n ASN 194 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1p1i n GLN 195 N 0.16 2.77 -0.01 3.52 1.13 0.83 -4.70 117.38 121.07 1p1i n GLN 195 Ca 0.08 -3.82 0.07 0.00 -1.94 0.00 0.00 57.00 51.39 1p1i n GLN 195 Cb 0.44 -1.94 -0.14 0.00 0.11 0.00 0.00 30.24 28.72 1p1i n GLN 195 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1p1i n ASP 196 N -0.67 0.97 0.15 1.08 9.92 -1.17 -4.08 116.55 122.75 1p1i n ASP 196 Ca 0.30 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.56 1p1i n ASP 196 Cb 0.91 1.72 0.22 0.00 -0.64 0.00 0.00 41.12 43.33 1p1i n ASP 196 CO 0.00 0.00 0.00 1.05 0.13 0.00 0.00 177.20 178.38 1p1i h GLU 197 N 0.00 0.00 0.04 -1.24 9.09 -1.85 -3.24 114.58 117.38 1p1i h GLU 197 Ca -0.04 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.37 1p1i h GLU 197 Cb 0.92 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.02 1p1i h GLU 197 CO 0.00 0.55 -0.02 0.00 0.05 0.00 0.00 179.01 179.59 1p1i h ARG 198 N 0.00 -0.06 -5.03 1.06 3.08 -1.92 -3.42 114.38 108.10 1p1i h ARG 198 Ca -0.01 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 59.84 1p1i h ARG 198 Cb 0.98 0.01 0.05 0.00 0.08 0.00 0.00 29.97 31.10 1p1i h ARG 198 CO 0.07 0.59 0.72 0.00 -1.07 0.00 0.00 179.97 180.29 1p1i n ALA 199 N -2.53 0.43 -1.43 0.04 0.00 -1.23 -3.91 120.51 111.89 1p1i n ALA 199 Ca -0.08 -1.92 0.07 0.00 0.00 0.00 0.00 53.44 51.51 1p1i n ALA 199 Cb 0.33 -2.50 0.12 0.00 0.00 0.00 0.00 19.45 17.40 1p1i n ALA 199 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1p1i n ASN 200 N 11.01 1.73 -2.96 0.00 2.04 -0.43 -4.83 115.26 121.82 1p1i n ASN 200 Ca 0.30 -3.00 -0.13 0.00 -0.44 0.00 0.00 54.58 51.31 1p1i n ASN 200 Cb 0.42 -0.40 -0.01 0.00 -2.53 0.00 0.00 39.78 37.25 1p1i n ASN 200 CO 0.00 0.00 0.00 -3.20 -0.44 0.00 0.00 177.26 173.62 1p1i n ASN 201 N -1.00 -2.03 -4.21 0.53 4.05 -0.07 -4.70 115.26 107.83 1p1i n ASN 201 Ca 0.13 -2.90 -0.25 0.00 0.45 0.00 0.00 54.58 52.01 1p1i n ASN 201 Cb 0.69 0.89 -0.15 0.00 1.23 0.00 0.00 39.78 42.45 1p1i n ASN 201 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1p1i h ILE 203 N 4.52 1.24 -0.17 0.00 3.07 -1.05 -3.42 117.51 121.70 1p1i h ILE 203 Ca -0.40 -2.43 -0.05 0.00 1.55 0.00 0.00 64.86 63.53 1p1i h ILE 203 Cb 1.16 2.90 -0.01 0.00 -0.27 0.00 0.00 36.82 40.60 1p1i h ILE 203 CO 0.46 0.68 0.16 0.54 -1.05 0.00 0.00 178.15 178.94 1p1i s ASN 204 N -6.95 3.61 0.37 2.16 4.22 -1.26 -4.85 114.94 112.24 1p1i s ASN 204 Ca -0.18 -0.96 0.06 0.00 -2.14 0.00 0.00 52.86 49.64 1p1i s ASN 204 Cb 0.03 -2.59 -0.07 0.00 1.28 0.00 0.00 41.25 39.89 1p1i s ASN 204 CO 0.77 -4.55 0.01 -0.76 -2.04 0.00 0.00 177.10 170.54 1p1i s LEU 205 N 16.31 2.66 0.00 3.54 1.43 -1.26 -1.45 118.68 139.91 1p1i s LEU 205 Ca 0.81 -1.34 0.00 0.00 -1.03 0.00 0.00 54.13 52.57 1p1i s LEU 205 Cb -0.05 -0.76 0.00 0.00 0.03 0.00 0.00 46.19 45.40 1p1i s LEU 205 CO 0.17 -0.46 0.00 -0.90 0.23 0.00 0.00 176.35 175.39 1p1i n ASP 206 N -0.85 1.76 0.14 2.29 3.85 -0.37 -4.78 116.55 118.59 1p1i n ASP 206 Ca -0.04 -0.24 0.01 0.00 -0.71 0.00 0.00 54.79 53.80 1p1i n ASP 206 Cb 0.66 0.00 0.16 0.00 -1.35 0.00 0.00 41.12 40.59 1p1i n ASP 206 CO 0.00 0.00 0.00 -0.33 -1.01 0.00 0.00 177.20 175.86 1p1i h GLU 207 N 0.00 0.00 -0.56 0.11 3.07 -2.02 -1.62 114.58 113.57 1p1i h GLU 207 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1p1i h GLU 207 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1p1i h GLU 207 CO 0.00 0.58 0.00 1.63 -1.40 0.00 0.00 179.01 179.82 1p1i n LYS 208 N -3.54 1.36 0.00 2.33 5.02 -1.26 -4.82 118.16 117.25 1p1i n LYS 208 Ca -0.00 -0.37 0.00 0.00 -2.02 0.00 0.00 58.31 55.92 1p1i n LYS 208 Cb 0.65 -1.36 0.00 0.00 -0.02 0.00 0.00 35.03 34.30 1p1i n LYS 208 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1p1i n GLY 209 N 0.34 0.95 3.51 0.72 0.00 -0.61 -4.92 105.19 105.19 1p1i n GLY 209 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 1p1i n GLY 209 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1p1i n ASN 210 N 0.33 -0.55 -4.76 1.61 3.02 -1.26 -3.93 115.26 109.72 1p1i n ASN 210 Ca 0.00 0.69 -0.38 0.00 -0.03 0.00 0.00 54.58 54.86 1p1i n ASN 210 Cb 0.00 -1.26 0.02 0.00 -0.61 0.00 0.00 39.78 37.93 1p1i n ASN 210 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1p1i s VAL 211 N -1.75 2.42 0.02 2.41 1.01 -1.26 -1.24 120.40 122.01 1p1i s VAL 211 Ca 0.70 0.32 -0.06 0.00 0.00 0.00 0.00 61.98 62.93 1p1i s VAL 211 Cb -0.39 -3.16 -0.00 0.00 0.00 0.00 0.00 36.38 32.82 1p1i s VAL 211 CO 0.53 -0.00 0.11 0.28 0.00 0.00 0.00 175.10 176.02 1p1i s THR 212 N -1.38 0.11 -1.66 3.92 -1.32 -0.53 -4.83 115.64 109.95 1p1i s THR 212 Ca 0.69 -0.88 0.19 0.00 -1.21 0.00 0.00 61.69 60.48 1p1i s THR 212 Cb -0.36 -0.63 0.54 0.00 -1.51 0.00 0.00 72.50 70.53 1p1i s THR 212 CO 0.43 -0.48 1.45 1.07 -2.21 0.00 0.00 174.62 174.88 1p1i n THR 213 N 1.15 0.98 -3.96 5.08 5.66 -1.26 -4.72 114.28 117.21 1p1i n THR 213 Ca -0.21 -0.99 -0.35 0.00 -3.05 0.00 0.00 64.05 59.44 1p1i n THR 213 Cb 0.57 0.52 -0.12 0.00 -1.55 0.00 0.00 70.33 69.74 1p1i n THR 213 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 175.07 171.42 1p1i s ARG 214 N -1.01 3.71 0.00 1.09 3.00 -1.26 -4.49 118.95 119.98 1p1i s ARG 214 Ca 0.41 -0.47 0.00 0.00 -1.00 0.00 0.00 55.73 54.67 1p1i s ARG 214 Cb 0.21 -3.19 0.00 0.00 0.00 0.00 0.00 34.95 31.97 1p1i s ARG 214 CO 0.28 0.00 0.00 0.41 0.00 0.00 0.00 175.30 175.99 1p1i n GLY 215 N 4.32 1.88 0.39 8.12 0.00 -1.26 -4.97 105.19 113.67 1p1i n GLY 215 Ca -0.17 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.03 1p1i n GLY 215 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1p1i h LYS 216 N 0.00 0.44 -0.21 1.61 1.57 -1.79 -0.82 116.57 117.38 1p1i h LYS 216 Ca 0.00 -0.03 -0.12 0.00 -1.87 0.00 0.00 60.65 58.64 1p1i h LYS 216 Cb 0.00 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 1p1i h LYS 216 CO 0.00 0.29 -0.37 2.35 -0.57 0.00 0.00 179.45 181.15 1p1i h TRP 217 N 0.46 0.53 0.00 -1.35 2.91 -1.79 -0.60 115.95 116.11 1p1i h TRP 217 Ca 0.46 -0.14 -0.11 0.00 1.13 0.00 0.00 58.89 60.23 1p1i h TRP 217 Cb 1.07 -0.12 -0.02 0.00 -0.51 0.00 0.00 29.16 29.58 1p1i h TRP 217 CO -0.00 0.77 -0.52 1.79 -1.03 0.00 0.00 178.44 179.44 1p1i h THR 218 N 0.38 1.27 -0.14 2.65 1.35 -1.51 -1.31 112.91 115.60 1p1i h THR 218 Ca 0.04 -1.86 -0.04 0.00 -0.55 0.00 0.00 66.41 64.00 1p1i h THR 218 Cb 0.83 2.03 -0.00 0.00 -1.73 0.00 0.00 68.15 69.28 1p1i h THR 218 CO 0.07 0.51 -0.05 0.45 -0.25 0.00 0.00 175.52 176.25 1p1i h HIS 219 N 0.00 0.32 -0.64 4.73 3.86 -0.96 -2.46 115.15 120.00 1p1i h HIS 219 Ca -0.01 -0.07 0.08 0.00 -1.16 0.00 0.00 60.37 59.21 1p1i h HIS 219 Cb 0.99 -0.08 -0.06 0.00 1.06 0.00 0.00 27.41 29.32 1p1i h HIS 219 CO 0.00 0.59 0.31 1.25 0.86 0.00 0.00 177.93 180.94 1p1i h LEU 220 N -0.04 0.39 -1.63 2.43 6.46 -0.80 -1.40 115.31 120.72 1p1i h LEU 220 Ca 0.03 0.05 -0.04 0.00 -0.12 0.00 0.00 57.88 57.81 1p1i h LEU 220 Cb 0.50 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.41 1p1i h LEU 220 CO 0.02 0.24 -0.20 1.56 -0.62 0.00 0.00 178.44 179.43 1p1i h GLN 221 N 0.54 0.00 -0.22 1.25 4.20 -1.14 -2.41 115.11 117.34 1p1i h GLN 221 Ca 0.31 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.87 1p1i h GLN 221 Cb 0.30 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 1p1i h GLN 221 CO -0.25 0.20 -0.47 -0.09 -0.67 0.00 0.00 178.83 177.56 1p1i h ARG 222 N 0.00 0.58 -0.25 1.46 9.65 -0.78 -1.44 114.38 123.61 1p1i h ARG 222 Ca -0.00 -0.33 -0.05 0.00 -1.10 0.00 0.00 59.98 58.50 1p1i h ARG 222 Cb 0.45 0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 29.04 1p1i h ARG 222 CO 0.03 0.93 -0.03 0.82 2.80 0.00 0.00 179.97 184.52 1p1i h ILE 223 N 0.46 1.27 -0.21 1.20 1.08 -1.07 0.10 117.51 120.34 1p1i h ILE 223 Ca 0.03 -0.98 0.05 0.00 -0.39 0.00 0.00 64.86 63.57 1p1i h ILE 223 Cb 1.00 1.41 -0.05 0.00 -3.07 0.00 0.00 36.82 36.11 1p1i h ILE 223 CO 0.09 0.31 -0.11 0.03 -0.69 0.00 0.00 178.15 177.78 1p1i h ARG 224 N 0.21 -0.09 -0.56 2.37 3.08 -1.39 0.43 114.38 118.44 1p1i h ARG 224 Ca 0.07 0.01 0.11 0.00 0.07 0.00 0.00 59.98 60.23 1p1i h ARG 224 Cb 0.46 0.02 -0.09 0.00 0.08 0.00 0.00 29.97 30.44 1p1i h ARG 224 CO 0.02 -0.06 0.02 -0.09 -1.07 0.00 0.00 179.97 178.79 1p1i h ARG 225 N -0.09 0.13 -0.94 0.04 9.65 -0.98 -0.75 114.38 121.44 1p1i h ARG 225 Ca 0.12 -0.01 0.11 0.00 -1.10 0.00 0.00 59.98 59.10 1p1i h ARG 225 Cb 0.27 -0.03 -0.08 0.00 -1.39 0.00 0.00 29.97 28.74 1p1i h ARG 225 CO -0.27 0.09 0.58 -0.44 2.80 0.00 0.00 179.97 182.72 1p1i h ASP 226 N 0.13 0.84 -0.28 -3.80 3.32 0.13 -0.34 116.42 116.42 1p1i h ASP 226 Ca 0.29 0.05 -0.06 0.00 0.02 0.00 0.00 57.03 57.33 1p1i h ASP 226 Cb 0.45 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 1p1i h ASP 226 CO -0.46 0.46 -0.05 0.40 -1.72 0.00 0.00 179.24 177.86 1p1i h ILE 227 N 0.93 1.28 -0.20 0.35 2.04 0.21 -1.01 117.51 121.10 1p1i h ILE 227 Ca 0.46 -1.06 -0.01 0.00 1.00 0.00 0.00 64.86 65.25 1p1i h ILE 227 Cb 0.44 1.40 -0.01 0.00 -0.74 0.00 0.00 36.82 37.91 1p1i h ILE 227 CO -0.26 0.34 0.09 1.56 0.00 0.00 0.00 178.15 179.87 1p1i h GLN 228 N 0.30 0.30 -0.75 2.37 4.20 -0.82 -1.13 115.11 119.57 1p1i h GLN 228 Ca 0.07 -0.05 0.03 0.00 0.06 0.00 0.00 58.65 58.76 1p1i h GLN 228 Cb 0.52 -0.05 -0.05 0.00 0.30 0.00 0.00 27.48 28.21 1p1i h GLN 228 CO 0.03 0.35 0.48 -0.97 -0.67 0.00 0.00 178.83 178.04 1p1i h ASN 229 N 0.18 0.78 0.17 1.46 -1.24 -1.07 -0.41 115.58 115.45 1p1i h ASN 229 Ca 0.07 -0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.07 1p1i h ASN 229 Cb 0.16 -0.17 0.00 0.00 0.73 0.00 0.00 38.32 39.04 1p1i h ASN 229 CO -0.01 0.54 -0.08 0.15 -1.29 0.00 0.00 177.43 176.74 1p1i h PHE 230 N 0.93 -0.21 -0.02 0.67 3.57 -0.85 0.13 116.94 121.16 1p1i h PHE 230 Ca 0.30 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.81 1p1i h PHE 230 Cb 0.02 0.07 -0.02 0.00 2.79 0.00 0.00 35.95 38.80 1p1i h PHE 230 CO -0.04 -0.11 -0.09 0.87 -2.23 0.00 0.00 178.31 176.72 1p1i h LYS 231 N -0.24 -0.14 0.54 1.11 1.57 -0.88 -2.07 116.57 116.46 1p1i h LYS 231 Ca -0.02 0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 1p1i h LYS 231 Cb 0.19 0.03 0.01 0.00 0.08 0.00 0.00 32.23 32.54 1p1i h LYS 231 CO 0.04 -0.09 -0.26 1.49 -0.57 0.00 0.00 179.45 180.05 1p1i h GLU 232 N -0.14 -0.70 -0.95 3.15 4.81 -1.07 0.79 114.58 120.46 1p1i h GLU 232 Ca 0.04 0.05 0.29 0.00 -0.13 0.00 0.00 59.36 59.61 1p1i h GLU 232 Cb 0.19 0.16 -0.16 0.00 0.63 0.00 0.00 28.75 29.57 1p1i h GLU 232 CO -0.10 -0.40 0.25 1.49 -0.73 0.00 0.00 179.01 179.53 1p1i h GLU 233 N -0.98 0.10 -0.01 1.92 4.81 -0.73 0.17 114.58 119.87 1p1i h GLU 233 Ca -0.07 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1p1i h GLU 233 Cb 0.63 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.99 1p1i h GLU 233 CO 0.12 0.07 -0.45 0.09 -0.73 0.00 0.00 179.01 178.11 1p1i n ASN 234 N -5.31 1.81 -2.92 1.04 4.13 -0.78 -4.99 115.26 108.24 1p1i n ASN 234 Ca 0.26 -1.38 -0.13 0.00 1.68 0.00 0.00 54.58 55.01 1p1i n ASN 234 Cb 0.86 0.43 0.06 0.00 -1.54 0.00 0.00 39.78 39.59 1p1i n ASN 234 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1p1i n ALA 235 N -0.19 -1.89 -2.49 5.41 0.00 0.96 -5.03 120.51 117.28 1p1i n ALA 235 Ca 0.10 0.04 -0.29 0.00 0.00 0.00 0.00 53.44 53.29 1p1i n ALA 235 Cb 0.44 -3.60 -0.11 0.00 0.00 0.00 0.00 19.45 16.18 1p1i n ALA 235 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1p1i s LEU 236 N -5.17 2.70 -0.13 0.00 1.43 0.24 -5.00 118.68 112.74 1p1i s LEU 236 Ca 0.21 -0.60 0.06 0.00 -1.03 0.00 0.00 54.13 52.77 1p1i s LEU 236 Cb -0.03 -1.51 -0.12 0.00 0.03 0.00 0.00 46.19 44.56 1p1i s LEU 236 CO 0.59 0.16 -0.04 0.47 0.23 0.00 0.00 176.35 177.76 1p1i n ASP 237 N 0.64 2.42 -4.48 2.29 8.00 -1.26 -4.56 116.55 119.60 1p1i n ASP 237 Ca -0.15 -0.04 -0.35 0.00 0.71 0.00 0.00 54.79 54.96 1p1i n ASP 237 Cb 0.53 0.30 -0.12 0.00 -0.02 0.00 0.00 41.12 41.82 1p1i n ASP 237 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1p1i s LYS 238 N -2.30 3.68 0.01 -1.24 -0.14 -1.26 -5.08 119.74 113.41 1p1i s LYS 238 Ca -0.13 -0.49 0.01 0.00 -1.36 0.00 0.00 55.97 54.00 1p1i s LYS 238 Cb 0.04 -3.13 -0.01 0.00 -1.68 0.00 0.00 37.83 33.05 1p1i s LYS 238 CO 0.42 0.03 -0.04 0.08 -0.76 0.00 0.00 175.35 175.09 1p1i s VAL 239 N 0.97 0.26 0.02 3.17 1.01 -1.26 -0.29 120.40 124.28 1p1i s VAL 239 Ca 0.02 -0.44 0.05 0.00 0.00 0.00 0.00 61.98 61.61 1p1i s VAL 239 Cb -0.14 -0.28 -0.02 0.00 0.00 0.00 0.00 36.38 35.94 1p1i s VAL 239 CO 0.02 -0.12 -0.16 -0.63 0.00 0.00 0.00 175.10 174.21 1p1i s ILE 240 N -0.56 1.24 -0.09 2.22 1.01 0.12 -4.23 121.20 120.91 1p1i s ILE 240 Ca -0.04 -0.89 0.03 0.00 0.00 0.00 0.00 60.65 59.75 1p1i s ILE 240 Cb -0.04 -1.08 -0.01 0.00 0.01 0.00 0.00 42.46 41.34 1p1i s ILE 240 CO -0.00 0.17 -0.19 -0.69 0.00 0.00 0.00 174.94 174.23 1p1i s VAL 241 N -0.64 2.54 -0.06 2.92 1.01 -0.92 -1.24 120.40 124.01 1p1i s VAL 241 Ca 0.04 -0.87 -0.00 0.00 0.00 0.00 0.00 61.98 61.15 1p1i s VAL 241 Cb -0.07 -1.99 0.03 0.00 0.00 0.00 0.00 36.38 34.34 1p1i s VAL 241 CO 0.01 0.56 -0.02 -0.22 0.00 0.00 0.00 175.10 175.43 1p1i s LEU 242 N -0.02 0.94 -0.12 3.92 0.20 -0.82 -0.09 118.68 122.69 1p1i s LEU 242 Ca -0.06 -0.10 -0.29 0.00 0.69 0.00 0.00 54.13 54.37 1p1i s LEU 242 Cb -0.15 -0.43 -0.01 0.00 -0.43 0.00 0.00 46.19 45.18 1p1i s LEU 242 CO 0.05 -0.13 1.02 0.86 -0.29 0.00 0.00 176.35 177.85 1p1i s TRP 243 N 1.47 3.48 -0.33 5.38 -0.11 0.14 -1.78 118.94 127.19 1p1i s TRP 243 Ca -0.03 1.57 0.16 0.00 1.22 0.00 0.00 56.10 59.02 1p1i s TRP 243 Cb -0.13 -3.21 0.44 0.00 -1.50 0.00 0.00 33.47 29.08 1p1i s TRP 243 CO -0.03 -0.29 1.17 -2.37 -4.62 0.00 0.00 176.95 170.81 1p1i n THR 244 N 4.63 0.64 -4.39 5.86 5.66 -0.67 -1.57 114.28 124.44 1p1i n THR 244 Ca 0.09 -2.34 -0.24 0.00 -3.05 0.00 0.00 64.05 58.51 1p1i n THR 244 Cb 0.48 0.92 -0.09 0.00 -1.55 0.00 0.00 70.33 70.09 1p1i n THR 244 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1p1i s ALA 245 N -1.91 3.06 0.12 1.79 0.00 -1.08 -4.56 121.76 119.18 1p1i s ALA 245 Ca 0.23 -1.91 -0.33 0.00 0.00 0.00 0.00 51.96 49.96 1p1i s ALA 245 Cb 0.42 -0.37 -0.18 0.00 0.00 0.00 0.00 23.12 22.98 1p1i s ALA 245 CO -0.03 0.15 0.79 0.09 0.00 0.00 0.00 175.76 176.76 1p1i n ASN 246 N -0.84 -0.55 -4.65 0.00 3.02 -1.26 -4.82 115.26 106.16 1p1i n ASN 246 Ca -0.05 1.14 -0.39 0.00 -0.03 0.00 0.00 54.58 55.26 1p1i n ASN 246 Cb 0.61 -0.96 0.04 0.00 -0.61 0.00 0.00 39.78 38.86 1p1i n ASN 246 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1p1i n THR 247 N 0.71 3.36 -4.12 3.41 -1.04 -1.26 -5.02 114.28 110.32 1p1i n THR 247 Ca 0.19 -0.50 -0.26 0.00 -2.04 0.00 0.00 64.05 61.43 1p1i n THR 247 Cb 0.18 -1.28 -0.06 0.00 -1.82 0.00 0.00 70.33 67.35 1p1i n THR 247 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1p1i s GLU 248 N -2.58 2.76 0.34 -2.82 2.02 -1.26 -4.67 118.70 112.49 1p1i s GLU 248 Ca 0.71 -0.95 -0.28 0.00 0.02 0.00 0.00 54.97 54.47 1p1i s GLU 248 Cb -0.45 -2.56 -0.10 0.00 0.10 0.00 0.00 34.13 31.12 1p1i s GLU 248 CO 0.50 0.47 1.26 -0.98 0.02 0.00 0.00 175.26 176.54 1p1i s ARG 249 N -3.10 4.30 0.45 1.61 1.04 0.71 -4.44 118.95 119.51 1p1i s ARG 249 Ca 0.30 2.10 -0.25 0.00 -1.04 0.00 0.00 55.73 56.84 1p1i s ARG 249 Cb -0.10 -2.99 -0.08 0.00 -2.04 0.00 0.00 34.95 29.74 1p1i s ARG 249 CO 0.22 -0.20 1.42 0.71 -0.04 0.00 0.00 175.30 177.41 1p1i s TYR 250 N -1.20 2.48 0.03 5.89 1.51 -1.26 -4.91 117.35 119.90 1p1i s TYR 250 Ca 0.50 1.27 0.03 0.00 -1.01 0.00 0.00 57.07 57.87 1p1i s TYR 250 Cb -0.37 -3.91 -0.04 0.00 -0.11 0.00 0.00 41.96 37.53 1p1i s TYR 250 CO 0.49 -2.89 -0.02 0.14 -1.11 0.00 0.00 175.55 172.16 1p1i s VAL 251 N -1.21 3.97 -0.05 0.71 -7.23 -1.26 -5.07 120.40 110.26 1p1i s VAL 251 Ca 0.61 -0.79 -0.27 0.00 -1.81 0.00 0.00 61.98 59.72 1p1i s VAL 251 Cb -0.43 -2.80 -0.03 0.00 0.56 0.00 0.00 36.38 33.67 1p1i s VAL 251 CO 0.56 0.29 0.88 -0.70 -0.31 0.00 0.00 175.10 175.82 1p1i s GLU 252 N -1.79 4.47 -0.38 4.82 2.12 -1.26 -4.98 118.70 121.70 1p1i s GLU 252 Ca 0.21 1.21 -0.26 0.00 0.36 0.00 0.00 54.97 56.49 1p1i s GLU 252 Cb -0.11 -3.48 0.02 0.00 0.26 0.00 0.00 34.13 30.81 1p1i s GLU 252 CO 0.12 -0.08 0.92 0.08 -0.54 0.00 0.00 175.26 175.75 1p1i s VAL 253 N 1.22 4.58 0.12 3.70 1.01 -1.26 -4.96 120.40 124.81 1p1i s VAL 253 Ca 0.46 1.12 0.07 0.00 0.00 0.00 0.00 61.98 63.63 1p1i s VAL 253 Cb -0.19 -4.34 -0.04 0.00 0.00 0.00 0.00 36.38 31.82 1p1i s VAL 253 CO 0.22 -0.56 -0.17 -0.94 0.00 0.00 0.00 175.10 173.65 1p1i s SER 254 N 1.92 2.23 0.72 3.32 1.04 -1.26 -5.03 113.70 116.64 1p1i s SER 254 Ca 0.37 -0.76 -0.13 0.00 0.48 0.00 0.00 55.95 55.92 1p1i s SER 254 Cb -0.12 -0.10 0.03 0.00 0.10 0.00 0.00 66.02 65.93 1p1i s SER 254 CO 0.19 -0.06 1.10 -2.84 0.98 0.00 0.00 173.24 172.62 1p1i s PRO 255 N -2.37 2.48 0.00 4.02 0.02 -1.26 -2.33 135.00 135.55 1p1i s PRO 255 Ca 0.08 1.29 0.00 0.00 0.02 0.00 0.00 61.00 62.40 1p1i s PRO 255 Cb -0.07 -1.92 0.00 0.00 0.02 0.00 0.00 34.50 32.53 1p1i s PRO 255 CO 0.04 -1.49 0.00 0.41 -0.33 0.00 0.00 177.00 175.63 1p1i n GLY 256 N -0.82 0.40 1.45 0.52 0.00 -1.26 -4.65 105.19 100.83 1p1i n GLY 256 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1p1i n GLY 256 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1p1i n VAL 257 N -2.09 0.44 -0.92 1.61 3.14 -1.19 -4.93 118.33 114.40 1p1i n VAL 257 Ca 0.00 0.15 0.01 0.00 -2.96 0.00 0.00 64.34 61.54 1p1i n VAL 257 Cb 0.06 -1.10 0.01 0.00 -1.06 0.00 0.00 33.84 31.75 1p1i n VAL 257 CO 0.00 0.00 0.00 -0.46 -6.46 0.00 0.00 176.83 169.91 1p1i n ASN 258 N -3.24 0.72 0.11 6.55 2.04 -0.99 -2.69 115.26 117.76 1p1i n ASN 258 Ca 0.00 -1.61 0.12 0.00 -0.44 0.00 0.00 54.58 52.66 1p1i n ASN 258 Cb 0.10 -0.07 0.45 0.00 -2.53 0.00 0.00 39.78 37.73 1p1i n ASN 258 CO 0.00 0.00 0.00 -0.90 -0.44 0.00 0.00 177.26 175.92 1p1i n ASP 259 N -0.26 0.68 -4.01 0.53 3.85 -1.20 -0.66 116.55 115.48 1p1i n ASP 259 Ca 0.01 0.61 -0.08 0.00 -0.71 0.00 0.00 54.79 54.62 1p1i n ASP 259 Cb 0.48 -0.77 -0.09 0.00 -1.35 0.00 0.00 41.12 39.39 1p1i n ASP 259 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.20 176.61 1p1i s THR 260 N -3.18 0.18 -0.49 2.12 -4.23 -1.26 -3.68 115.64 105.09 1p1i s THR 260 Ca 0.08 -1.59 0.23 0.00 -1.18 0.00 0.00 61.69 59.23 1p1i s THR 260 Cb 0.11 -1.52 0.25 0.00 1.34 0.00 0.00 72.50 72.68 1p1i s THR 260 CO 0.50 -0.81 1.71 1.15 -0.54 0.00 0.00 174.62 176.63 1p1i n MET 261 N 0.02 0.19 0.01 3.99 0.00 -1.18 -0.74 117.12 119.42 1p1i n MET 261 Ca -0.13 0.42 -0.06 0.00 0.00 0.00 0.00 57.70 57.92 1p1i n MET 261 Cb 0.62 -1.87 -0.04 0.00 0.00 0.00 0.00 33.22 31.93 1p1i n MET 261 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 175.97 176.90 1p1i h GLU 262 N 0.00 -0.14 -0.44 3.17 4.39 -1.95 -3.04 114.58 116.57 1p1i h GLU 262 Ca 0.00 0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.72 1p1i h GLU 262 Cb 0.37 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.03 1p1i h GLU 262 CO 0.00 0.14 0.27 -0.91 -1.16 0.00 0.00 179.01 177.35 1p1i h ASN 263 N -1.00 0.45 -0.08 1.42 2.35 -1.79 -2.95 115.58 113.98 1p1i h ASN 263 Ca -0.02 -0.00 0.03 0.00 -0.55 0.00 0.00 56.30 55.77 1p1i h ASN 263 Cb 0.35 -0.10 -0.06 0.00 0.05 0.00 0.00 38.32 38.55 1p1i h ASN 263 CO 0.03 0.32 -0.46 0.25 -1.65 0.00 0.00 177.43 175.92 1p1i h LEU 264 N 0.55 -1.44 -2.81 1.61 5.85 -0.71 0.54 115.31 118.89 1p1i h LEU 264 Ca 0.17 0.18 -0.00 0.00 0.84 0.00 0.00 57.88 59.07 1p1i h LEU 264 Cb -0.02 0.57 -0.00 0.00 0.37 0.00 0.00 40.66 41.58 1p1i h LEU 264 CO -0.06 -0.46 -0.00 -0.07 -0.34 0.00 0.00 178.44 177.50 1p1i h LEU 265 N -0.56 0.00 0.15 2.25 4.07 -1.49 -0.79 115.31 118.93 1p1i h LEU 265 Ca 0.05 0.00 -0.29 0.00 0.08 0.00 0.00 57.88 57.72 1p1i h LEU 265 Cb 0.66 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.41 1p1i h LEU 265 CO -0.38 0.00 -1.43 -0.61 -1.08 0.00 0.00 178.44 174.94 1p1i h GLN 266 N 0.00 0.31 -0.47 1.13 5.75 -0.69 -3.05 115.11 118.09 1p1i h GLN 266 Ca -0.00 -0.53 -0.02 0.00 -0.15 0.00 0.00 58.65 57.95 1p1i h GLN 266 Cb 0.00 0.20 -0.02 0.00 1.07 0.00 0.00 27.48 28.73 1p1i h GLN 266 CO 0.00 1.25 0.20 0.77 -2.65 0.00 0.00 178.83 178.41 1p1i h SER 267 N -0.18 0.59 0.35 -0.69 0.02 0.60 0.17 113.55 114.41 1p1i h SER 267 Ca -0.29 -0.06 -0.05 0.00 -0.84 0.00 0.00 61.79 60.55 1p1i h SER 267 Cb 1.86 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 64.24 1p1i h SER 267 CO 0.12 0.53 -0.24 0.40 -1.14 0.00 0.00 176.83 176.49 1p1i h ILE 268 N 0.66 1.00 0.00 3.27 2.04 -1.25 -0.40 117.51 122.83 1p1i h ILE 268 Ca 0.16 -0.89 -0.16 0.00 1.00 0.00 0.00 64.86 64.97 1p1i h ILE 268 Cb 0.11 1.50 -0.02 0.00 -0.74 0.00 0.00 36.82 37.67 1p1i h ILE 268 CO -0.02 0.24 -0.86 0.11 0.00 0.00 0.00 178.15 177.62 1p1i h LYS 269 N 0.00 0.00 0.00 2.37 1.57 -0.73 -2.76 116.57 117.01 1p1i h LYS 269 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1p1i h LYS 269 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.79 1p1i h LYS 269 CO 0.03 0.62 -0.39 0.09 -0.57 0.00 0.00 179.45 179.23 1p1i n ASN 270 N -3.20 0.43 -0.31 0.86 5.03 0.36 -4.78 115.26 113.65 1p1i n ASN 270 Ca -0.01 0.01 -0.04 0.00 0.87 0.00 0.00 54.58 55.41 1p1i n ASN 270 Cb 0.83 0.03 -0.02 0.00 -1.02 0.00 0.00 39.78 39.60 1p1i n ASN 270 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 1p1i n ASP 271 N -1.63 -3.49 -4.38 6.41 10.43 -0.29 -4.97 116.55 118.63 1p1i n ASP 271 Ca 0.05 0.10 -0.46 0.00 2.57 0.00 0.00 54.79 57.05 1p1i n ASP 271 Cb 0.36 -1.34 -0.02 0.00 1.84 0.00 0.00 41.12 41.96 1p1i n ASP 271 CO 0.00 0.00 0.00 1.57 -1.07 0.00 0.00 177.20 177.70 1p1i n HIS 272 N -2.88 -0.80 0.53 1.24 -0.00 -0.47 -4.81 115.22 108.03 1p1i n HIS 272 Ca -0.04 0.88 0.05 0.00 0.46 0.00 0.00 57.72 59.08 1p1i n HIS 272 Cb 0.13 -1.93 0.28 0.00 -0.12 0.00 0.00 29.99 28.35 1p1i n HIS 272 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 1p1i n GLU 273 N 1.06 0.16 -0.63 1.57 1.02 -1.26 -1.94 120.64 120.62 1p1i n GLU 273 Ca 0.16 0.17 0.08 0.00 -0.02 0.00 0.00 57.16 57.56 1p1i n GLU 273 Cb 0.29 -1.50 0.33 0.00 -0.02 0.00 0.00 31.44 30.53 1p1i n GLU 273 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1p1i n GLU 274 N -1.28 3.83 -3.65 3.49 1.02 -1.26 -4.85 120.64 117.94 1p1i n GLU 274 Ca 0.05 -2.93 -0.39 0.00 -0.02 0.00 0.00 57.16 53.87 1p1i n GLU 274 Cb 0.09 -1.98 -0.11 0.00 -0.02 0.00 0.00 31.44 29.41 1p1i n GLU 274 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1p1i s ILE 275 N -2.54 4.19 0.41 -3.67 -1.09 -0.82 -4.93 121.20 112.76 1p1i s ILE 275 Ca 0.47 -1.12 0.03 0.00 -2.23 0.00 0.00 60.65 57.81 1p1i s ILE 275 Cb 0.36 -3.42 -0.00 0.00 -1.58 0.00 0.00 42.46 37.81 1p1i s ILE 275 CO 0.15 -0.30 0.60 0.00 -1.23 0.00 0.00 174.94 174.15 1p1i s ALA 276 N 1.46 4.00 0.18 9.38 0.00 -1.26 -4.97 121.76 130.55 1p1i s ALA 276 Ca 0.01 -1.27 -0.13 0.00 0.00 0.00 0.00 51.96 50.57 1p1i s ALA 276 Cb -0.20 -1.93 0.17 0.00 0.00 0.00 0.00 23.12 21.16 1p1i s ALA 276 CO 0.04 -0.27 1.75 -1.35 0.00 0.00 0.00 175.76 175.93 1p1i h PRO 277 N 0.58 0.35 0.00 0.00 0.11 -1.93 0.25 132.00 131.35 1p1i h PRO 277 Ca -0.45 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 1p1i h PRO 277 Cb 1.26 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 1p1i h PRO 277 CO 0.54 0.23 -0.07 0.66 -0.21 0.00 0.00 178.00 179.16 1p1i h SER 278 N 0.36 0.00 -0.47 -2.05 4.64 -1.95 -0.01 113.55 114.08 1p1i h SER 278 Ca 0.24 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.48 1p1i h SER 278 Cb 0.25 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.31 1p1i h SER 278 CO -0.24 0.07 0.03 0.74 -0.87 0.00 0.00 176.83 176.56 1p1i h THR 279 N 0.00 1.25 0.23 2.95 2.02 -1.30 -0.39 112.91 117.66 1p1i h THR 279 Ca -0.00 -1.01 -0.01 0.00 0.77 0.00 0.00 66.41 66.16 1p1i h THR 279 Cb 0.13 0.81 0.00 0.00 -1.74 0.00 0.00 68.15 67.35 1p1i h THR 279 CO 0.01 0.36 -0.11 0.40 0.37 0.00 0.00 175.52 176.55 1p1i h ILE 280 N 0.82 0.69 -0.69 3.11 1.08 -0.27 -2.31 117.51 119.94 1p1i h ILE 280 Ca 0.16 -0.93 0.11 0.00 -0.39 0.00 0.00 64.86 63.80 1p1i h ILE 280 Cb 0.45 1.12 -0.08 0.00 -3.07 0.00 0.00 36.82 35.25 1p1i h ILE 280 CO 0.02 0.16 0.29 -0.26 -0.69 0.00 0.00 178.15 177.68 1p1i h PHE 281 N -0.88 0.51 0.14 1.37 -1.00 -1.16 0.64 116.94 116.57 1p1i h PHE 281 Ca -0.03 0.03 -0.01 0.00 2.81 0.00 0.00 57.97 60.77 1p1i h PHE 281 Cb 0.51 -0.13 -0.00 0.00 3.61 0.00 0.00 35.95 39.94 1p1i h PHE 281 CO 0.06 0.14 -0.10 0.00 -1.61 0.00 0.00 178.31 176.79 1p1i h ALA 282 N 1.46 -0.93 -0.97 2.45 0.00 -1.11 0.27 119.26 120.43 1p1i h ALA 282 Ca 0.35 -0.05 0.21 0.00 0.00 0.00 0.00 54.91 55.43 1p1i h ALA 282 Cb 0.44 0.26 -0.11 0.00 0.00 0.00 0.00 17.79 18.38 1p1i h ALA 282 CO -0.32 -0.92 0.55 0.00 0.00 0.00 0.00 179.25 178.56 1p1i h ALA 283 N -1.69 1.63 0.00 0.00 0.00 -1.02 0.38 119.26 118.56 1p1i h ALA 283 Ca -0.02 0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 1p1i h ALA 283 Cb 0.19 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1p1i h ALA 283 CO 0.01 -0.18 -0.25 0.00 0.00 0.00 0.00 179.25 178.83 1p1i h ALA 284 N 1.68 1.58 0.01 0.00 0.00 0.46 -0.31 119.26 122.68 1p1i h ALA 284 Ca 0.59 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 55.23 1p1i h ALA 284 Cb 1.02 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1p1i h ALA 284 CO -0.44 0.31 -0.19 0.77 0.00 0.00 0.00 179.25 179.69 1p1i h SER 285 N 0.00 0.15 -0.68 0.00 0.02 0.18 -2.99 113.55 110.24 1p1i h SER 285 Ca -0.00 -0.83 -0.03 0.00 -0.84 0.00 0.00 61.79 60.08 1p1i h SER 285 Cb 0.44 -0.05 -0.03 0.00 0.14 0.00 0.00 62.40 62.90 1p1i h SER 285 CO 0.03 0.97 0.31 -0.29 -1.14 0.00 0.00 176.83 176.71 1p1i h ILE 286 N -0.65 1.23 0.00 3.27 -0.00 -0.84 0.36 117.51 120.88 1p1i h ILE 286 Ca -0.03 -0.68 -0.02 0.00 -0.00 0.00 0.00 64.86 64.13 1p1i h ILE 286 Cb 1.01 0.36 -0.00 0.00 -0.00 0.00 0.00 36.82 38.18 1p1i h ILE 286 CO 0.04 0.28 -0.11 -0.07 -0.00 0.00 0.00 178.15 178.29 1p1i h LEU 287 N 1.00 0.00 -1.89 2.19 3.38 -1.13 0.29 115.31 119.15 1p1i h LEU 287 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1p1i h LEU 287 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1p1i h LEU 287 CO -0.03 0.11 0.00 -0.62 0.09 0.00 0.00 178.44 177.99 1p1i n GLU 288 N -4.13 2.37 -1.77 1.13 -0.58 -0.70 -4.90 120.64 112.06 1p1i n GLU 288 Ca -0.02 -1.71 -0.20 0.00 -0.42 0.00 0.00 57.16 54.80 1p1i n GLU 288 Cb 0.19 -1.50 -0.07 0.00 -0.57 0.00 0.00 31.44 29.49 1p1i n GLU 288 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1p1i n GLY 289 N 1.03 1.38 3.84 0.62 0.00 0.10 -4.98 105.19 107.17 1p1i n GLY 289 Ca 0.16 -0.04 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 1p1i n GLY 289 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1p1i s VAL 290 N -2.81 5.22 0.84 1.61 -7.23 0.03 -4.94 120.40 113.12 1p1i s VAL 290 Ca 0.00 0.06 -0.12 0.00 -1.81 0.00 0.00 61.98 60.11 1p1i s VAL 290 Cb 0.00 -3.27 0.10 0.00 0.56 0.00 0.00 36.38 33.77 1p1i s VAL 290 CO 0.00 0.59 1.18 -2.84 -0.31 0.00 0.00 175.10 173.72 1p1i s PRO 291 N -1.08 1.45 -0.13 4.82 0.02 -1.26 -3.82 135.00 134.99 1p1i s PRO 291 Ca 0.16 1.67 -0.04 0.00 0.02 0.00 0.00 61.00 62.80 1p1i s PRO 291 Cb -0.12 -1.76 0.06 0.00 0.02 0.00 0.00 34.50 32.70 1p1i s PRO 291 CO 0.05 -2.34 0.17 -0.47 -0.33 0.00 0.00 177.00 174.08 1p1i s TYR 292 N -2.35 -0.14 -0.19 6.54 6.14 -0.80 -2.15 117.35 124.40 1p1i s TYR 292 Ca 0.70 0.34 -0.08 0.00 0.64 0.00 0.00 57.07 58.68 1p1i s TYR 292 Cb -0.26 -0.36 -0.04 0.00 0.42 0.00 0.00 41.96 41.71 1p1i s TYR 292 CO 0.53 -0.41 0.07 0.42 0.64 0.00 0.00 175.55 176.80 1p1i s ILE 293 N 2.28 4.80 -0.44 3.14 1.01 0.88 -0.22 121.20 132.65 1p1i s ILE 293 Ca 0.04 -0.03 -0.09 0.00 0.00 0.00 0.00 60.65 60.57 1p1i s ILE 293 Cb -0.14 -3.17 0.09 0.00 0.01 0.00 0.00 42.46 39.25 1p1i s ILE 293 CO -0.08 0.45 0.30 0.21 0.00 0.00 0.00 174.94 175.81 1p1i s ASN 294 N 0.48 5.67 -0.40 3.58 2.47 -1.26 0.25 114.94 125.73 1p1i s ASN 294 Ca 0.04 -1.67 0.02 0.00 0.42 0.00 0.00 52.86 51.67 1p1i s ASN 294 Cb -0.13 -2.00 0.48 0.00 -1.45 0.00 0.00 41.25 38.15 1p1i s ASN 294 CO 0.01 -0.60 1.81 0.61 -3.72 0.00 0.00 177.10 175.20 1p1i n GLY 295 N 4.92 4.29 3.23 1.21 0.00 -0.61 -2.82 105.19 115.40 1p1i n GLY 295 Ca -0.09 -1.12 -0.13 0.00 0.00 0.00 0.00 46.02 44.68 1p1i n GLY 295 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1p1i s SER 296 N -0.85 1.60 0.26 1.61 0.01 -1.26 -2.00 113.70 113.06 1p1i s SER 296 Ca 0.46 -1.03 -0.01 0.00 1.31 0.00 0.00 55.95 56.68 1p1i s SER 296 Cb 0.38 0.02 0.33 0.00 0.21 0.00 0.00 66.02 66.96 1p1i s SER 296 CO 0.06 -0.38 1.73 1.55 0.41 0.00 0.00 173.24 176.60 1p1i h PRO 297 N 2.81 0.71 -6.18 12.44 0.13 -1.90 0.54 132.00 140.55 1p1i h PRO 297 Ca -0.36 -0.23 -0.61 0.00 -0.87 0.00 0.00 66.00 63.93 1p1i h PRO 297 Cb 1.19 -0.06 0.16 0.00 0.13 0.00 0.00 31.00 32.41 1p1i h PRO 297 CO 0.64 0.80 -0.69 0.00 -0.23 0.00 0.00 178.00 178.52 1p1i n GLN 298 N -4.17 0.28 -2.42 0.86 0.00 -1.26 -4.72 117.38 105.94 1p1i n GLN 298 Ca 0.01 0.10 -0.43 0.00 0.00 0.00 0.00 57.00 56.69 1p1i n GLN 298 Cb 0.35 -1.27 0.00 0.00 0.00 0.00 0.00 30.24 29.32 1p1i n GLN 298 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.06 177.33 1p1i n ASN 299 N 1.74 5.08 -0.01 2.61 2.04 -1.26 -4.76 115.26 120.70 1p1i n ASN 299 Ca 0.11 -3.08 -0.12 0.00 -0.44 0.00 0.00 54.58 51.04 1p1i n ASN 299 Cb 0.41 -1.50 -0.08 0.00 -2.53 0.00 0.00 39.78 36.08 1p1i n ASN 299 CO 0.00 0.00 0.00 0.74 -0.44 0.00 0.00 177.26 177.56 1p1i h THR 300 N 3.90 1.24 0.00 5.53 2.02 -1.94 -3.32 112.91 120.34 1p1i h THR 300 Ca 0.39 -0.73 -0.07 0.00 0.77 0.00 0.00 66.41 66.76 1p1i h THR 300 Cb 0.67 1.66 0.00 0.00 -1.74 0.00 0.00 68.15 68.74 1p1i h THR 300 CO 1.57 0.20 1.12 0.49 0.37 0.00 0.00 175.52 179.27 1p1i n PHE 301 N -4.90 0.24 -0.61 3.16 0.99 -1.26 -4.84 117.46 110.24 1p1i n PHE 301 Ca -0.07 -0.68 -0.30 0.00 -0.00 0.00 0.00 57.45 56.39 1p1i n PHE 301 Cb 0.18 -0.78 0.20 0.00 -1.00 0.00 0.00 39.48 38.07 1p1i n PHE 301 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 176.76 178.09 1p1i n VAL 302 N 4.29 0.00 0.02 -4.37 0.24 -1.25 -4.67 118.33 112.59 1p1i n VAL 302 Ca 0.10 -0.24 -0.10 0.00 -2.04 0.00 0.00 64.34 62.06 1p1i n VAL 302 Cb 0.06 -0.90 -0.04 0.00 -1.47 0.00 0.00 33.84 31.49 1p1i n VAL 302 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 1p1i h PRO 303 N -2.20 -0.27 -0.93 7.34 0.13 -1.90 -1.90 132.00 132.28 1p1i h PRO 303 Ca -0.52 0.02 0.12 0.00 -0.87 0.00 0.00 66.00 64.75 1p1i h PRO 303 Cb 1.31 0.06 -0.08 0.00 0.13 0.00 0.00 31.00 32.41 1p1i h PRO 303 CO 0.43 -0.18 0.56 0.78 -0.23 0.00 0.00 178.00 179.36 1p1i h GLY 304 N -0.28 1.52 2.00 1.56 0.00 -0.96 0.10 103.07 107.01 1p1i h GLY 304 Ca 0.08 -0.36 -0.04 0.00 0.00 0.00 0.00 47.33 47.01 1p1i h GLY 304 CO -0.24 0.10 -0.19 -2.00 0.00 0.00 0.00 176.54 174.22 1p1i h LEU 305 N 0.86 0.00 -0.39 3.11 5.85 -1.63 -2.52 115.31 120.59 1p1i h LEU 305 Ca 0.47 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 59.02 1p1i h LEU 305 Cb 0.52 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.54 1p1i h LEU 305 CO -0.29 0.19 -0.52 0.58 -0.34 0.00 0.00 178.44 178.06 1p1i h VAL 306 N 0.00 1.29 -0.51 1.05 2.07 -0.02 -3.13 116.25 117.00 1p1i h VAL 306 Ca -0.00 -1.72 0.02 0.00 0.82 0.00 0.00 66.70 65.82 1p1i h VAL 306 Cb 0.48 1.63 -0.03 0.00 -1.52 0.00 0.00 31.29 31.85 1p1i h VAL 306 CO 0.02 0.55 0.31 1.56 0.02 0.00 0.00 177.57 180.04 1p1i h GLN 307 N 0.60 0.59 -0.86 1.57 4.20 -1.13 -1.75 115.11 118.34 1p1i h GLN 307 Ca 0.02 -0.04 0.11 0.00 0.06 0.00 0.00 58.65 58.80 1p1i h GLN 307 Cb 1.10 -0.13 -0.08 0.00 0.30 0.00 0.00 27.48 28.67 1p1i h GLN 307 CO 0.11 0.39 0.49 1.25 -0.67 0.00 0.00 178.83 180.40 1p1i h LEU 308 N 0.61 0.68 -0.57 1.46 6.46 -1.53 0.25 115.31 122.68 1p1i h LEU 308 Ca 0.20 0.06 -0.11 0.00 -0.12 0.00 0.00 57.88 57.91 1p1i h LEU 308 Cb 0.01 -0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 39.85 1p1i h LEU 308 CO -0.09 0.37 -0.10 0.00 -0.62 0.00 0.00 178.44 178.00 1p1i h ALA 309 N 1.49 0.78 0.62 1.25 0.00 -1.36 0.39 119.26 122.42 1p1i h ALA 309 Ca 0.43 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1p1i h ALA 309 Cb 0.44 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.04 1p1i h ALA 309 CO -0.27 0.67 -0.30 0.93 0.00 0.00 0.00 179.25 180.28 1p1i h GLU 310 N 0.92 -0.80 -0.50 0.00 5.08 -0.33 0.28 114.58 119.24 1p1i h GLU 310 Ca 0.14 0.05 0.08 0.00 -1.00 0.00 0.00 59.36 58.64 1p1i h GLU 310 Cb 0.67 0.18 -0.07 0.00 0.50 0.00 0.00 28.75 30.03 1p1i h GLU 310 CO 0.05 -0.49 0.10 1.25 -1.00 0.00 0.00 179.01 178.92 1p1i h HIS 311 N -0.97 0.17 0.00 4.33 2.76 -0.52 0.18 115.15 121.10 1p1i h HIS 311 Ca -0.08 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.12 1p1i h HIS 311 Cb 0.68 -0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.64 1p1i h HIS 311 CO -0.01 0.00 0.00 0.39 -1.30 0.00 0.00 177.93 177.01 1p1i n GLU 312 N -5.10 0.40 -3.62 5.26 -0.58 0.12 -4.92 120.64 112.21 1p1i n GLU 312 Ca 0.05 0.03 -0.22 0.00 -0.42 0.00 0.00 57.16 56.60 1p1i n GLU 312 Cb 0.24 -1.50 0.04 0.00 -0.57 0.00 0.00 31.44 29.65 1p1i n GLU 312 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1p1i n GLY 313 N 1.04 -0.56 3.43 0.62 0.00 0.69 -4.98 105.19 105.43 1p1i n GLY 313 Ca 0.13 0.26 -0.24 0.00 0.00 0.00 0.00 46.02 46.18 1p1i n GLY 313 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1p1i s THR 314 N -3.58 2.31 0.22 2.61 2.01 0.52 -5.02 115.64 114.71 1p1i s THR 314 Ca 0.16 -2.28 -0.21 0.00 0.31 0.00 0.00 61.69 59.67 1p1i s THR 314 Cb -0.04 -2.20 -0.08 0.00 0.01 0.00 0.00 72.50 70.18 1p1i s THR 314 CO 0.81 -0.37 0.75 -0.36 -0.69 0.00 0.00 174.62 174.76 1p1i s PHE 315 N -2.39 3.70 0.04 4.92 2.99 -1.26 -4.50 117.98 121.47 1p1i s PHE 315 Ca 0.26 1.47 0.02 0.00 0.00 0.00 0.00 56.93 58.68 1p1i s PHE 315 Cb -0.05 -2.67 -0.02 0.00 0.00 0.00 0.00 43.02 40.28 1p1i s PHE 315 CO 0.12 0.36 -0.07 0.96 -0.00 0.00 0.00 175.22 176.59 1p1i s ILE 316 N -1.46 0.48 0.00 0.64 -4.36 0.99 -1.90 121.20 115.59 1p1i s ILE 316 Ca 0.42 -1.00 0.00 0.00 -0.26 0.00 0.00 60.65 59.81 1p1i s ILE 316 Cb -0.18 -0.55 0.00 0.00 1.25 0.00 0.00 42.46 42.98 1p1i s ILE 316 CO 0.22 -0.36 0.00 0.00 0.24 0.00 0.00 174.94 175.04 1p1i n ALA 317 N 1.58 0.00 -3.12 2.27 0.00 0.69 -2.64 120.51 119.30 1p1i n ALA 317 Ca -0.22 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.12 1p1i n ALA 317 Cb 0.55 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.96 1p1i n ALA 317 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1p1i s GLY 318 N -0.55 -0.55 0.00 0.00 0.00 -1.26 -4.71 107.32 100.25 1p1i s GLY 318 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 44.72 43.96 1p1i s GLY 318 CO 0.00 3.18 0.00 1.22 0.00 0.00 0.00 173.10 177.50 1p1i n ASP 319 N 3.58 0.00 -1.69 1.64 10.43 -1.20 -4.07 116.55 125.24 1p1i n ASP 319 Ca 0.17 0.52 0.00 0.00 2.57 0.00 0.00 54.79 58.05 1p1i n ASP 319 Cb 0.52 -0.78 0.00 0.00 1.84 0.00 0.00 41.12 42.70 1p1i n ASP 319 CO 0.00 0.00 0.00 -0.67 -1.07 0.00 0.00 177.20 175.46 1p1i n ASP 320 N 0.74 -5.53 -4.72 -2.24 4.64 0.19 -2.19 116.55 107.44 1p1i n ASP 320 Ca 0.00 1.14 -0.42 0.00 -1.38 0.00 0.00 54.79 54.14 1p1i n ASP 320 Cb 0.00 -3.68 -0.03 0.00 -1.04 0.00 0.00 41.12 36.37 1p1i n ASP 320 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 1p1i s LEU 321 N -1.93 4.38 -0.08 -2.67 1.43 -0.85 -0.27 118.68 118.69 1p1i s LEU 321 Ca 0.00 2.26 -0.29 0.00 -1.03 0.00 0.00 54.13 55.06 1p1i s LEU 321 Cb 0.00 -3.59 -0.06 0.00 0.03 0.00 0.00 46.19 42.57 1p1i s LEU 321 CO 0.00 -0.57 1.85 -0.75 0.23 0.00 0.00 176.35 177.11 1p1i s LYS 322 N 0.83 3.93 0.62 1.70 2.47 -0.66 -4.43 119.74 124.20 1p1i s LYS 322 Ca 0.61 2.23 -0.14 0.00 -1.56 0.00 0.00 55.97 57.11 1p1i s LYS 322 Cb -0.35 -4.12 -0.03 0.00 -1.46 0.00 0.00 37.83 31.87 1p1i s LYS 322 CO 0.32 -1.16 1.05 -1.54 0.16 0.00 0.00 175.35 174.17 1p1i s SER 323 N 4.68 5.79 0.48 1.43 1.04 -1.26 -4.91 113.70 120.96 1p1i s SER 323 Ca 0.83 1.69 0.22 0.00 0.48 0.00 0.00 55.95 59.17 1p1i s SER 323 Cb -0.35 -2.51 1.24 0.00 0.10 0.00 0.00 66.02 64.49 1p1i s SER 323 CO 0.35 -1.16 2.03 1.23 0.98 0.00 0.00 173.24 176.66 1p1i h GLY 324 N 0.08 0.00 0.66 7.32 0.00 -1.94 -1.22 103.07 107.97 1p1i h GLY 324 Ca -0.46 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 46.79 1p1i h GLY 324 CO 0.58 0.00 -0.29 -1.61 0.00 0.00 0.00 176.54 175.22 1p1i h GLN 325 N 0.00 0.32 0.00 4.80 4.15 -1.99 -2.81 115.11 119.57 1p1i h GLN 325 Ca -0.00 -0.25 0.00 0.00 0.77 0.00 0.00 58.65 59.17 1p1i h GLN 325 Cb 0.35 0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.09 1p1i h GLN 325 CO 0.02 0.89 0.00 1.79 -1.93 0.00 0.00 178.83 179.60 1p1i h THR 326 N -0.19 0.00 -0.10 2.39 1.35 -1.88 0.24 112.91 114.73 1p1i h THR 326 Ca -0.02 -0.54 -0.05 0.00 -0.55 0.00 0.00 66.41 65.25 1p1i h THR 326 Cb 0.94 1.52 -0.00 0.00 -1.73 0.00 0.00 68.15 68.88 1p1i h THR 326 CO 0.06 0.00 -0.14 0.11 -0.25 0.00 0.00 175.52 175.30 1p1i h LYS 327 N 0.00 0.26 -0.18 4.72 1.57 -1.20 -1.35 116.57 120.39 1p1i h LYS 327 Ca 0.00 -0.16 -0.10 0.00 -1.87 0.00 0.00 60.65 58.52 1p1i h LYS 327 Cb 0.55 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.88 1p1i h LYS 327 CO 0.00 0.72 -0.29 -0.07 -0.57 0.00 0.00 179.45 179.24 1p1i h LEU 328 N -0.17 0.58 -0.78 2.94 3.38 -1.20 -0.99 115.31 119.06 1p1i h LEU 328 Ca 0.01 -0.53 0.06 0.00 0.09 0.00 0.00 57.88 57.51 1p1i h LEU 328 Cb 0.70 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 41.22 1p1i h LEU 328 CO 0.03 0.99 0.47 0.50 0.09 0.00 0.00 178.44 180.52 1p1i h LYS 329 N 0.18 0.83 -0.05 1.13 3.64 -0.60 0.31 116.57 122.02 1p1i h LYS 329 Ca 0.02 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1p1i h LYS 329 Cb 0.87 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 32.50 1p1i h LYS 329 CO 0.07 0.55 0.01 1.03 -2.27 0.00 0.00 179.45 178.84 1p1i h SER 330 N 0.86 0.07 0.72 4.20 0.87 -1.15 -0.47 113.55 118.65 1p1i h SER 330 Ca 0.34 -0.21 -0.04 0.00 -1.23 0.00 0.00 61.79 60.66 1p1i h SER 330 Cb 0.17 -0.02 0.01 0.00 -0.44 0.00 0.00 62.40 62.12 1p1i h SER 330 CO -0.17 0.26 -0.34 0.58 -0.53 0.00 0.00 176.83 176.62 1p1i h VAL 331 N -0.12 0.24 0.27 2.23 2.07 -0.66 -2.77 116.25 117.50 1p1i h VAL 331 Ca 0.02 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 1p1i h VAL 331 Cb 0.22 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 1p1i h VAL 331 CO -0.00 0.01 -0.13 0.25 0.02 0.00 0.00 177.57 177.72 1p1i h LEU 332 N -1.06 -0.31 -1.27 2.57 6.46 -0.46 -1.91 115.31 119.33 1p1i h LEU 332 Ca -0.10 -0.02 0.16 0.00 -0.12 0.00 0.00 57.88 57.81 1p1i h LEU 332 Cb 0.76 0.08 -0.08 0.00 -0.73 0.00 0.00 40.66 40.69 1p1i h LEU 332 CO 0.16 -0.19 0.59 0.00 -0.62 0.00 0.00 178.44 178.38 1p1i h ALA 333 N 0.32 1.86 0.13 1.25 0.00 -1.18 -0.52 119.26 121.11 1p1i h ALA 333 Ca -0.04 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1p1i h ALA 333 Cb 0.31 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1p1i h ALA 333 CO 0.06 -0.13 -0.06 0.37 0.00 0.00 0.00 179.25 179.49 1p1i h GLN 334 N 0.67 -0.16 -0.95 0.00 5.75 -1.22 -2.92 115.11 116.28 1p1i h GLN 334 Ca 0.48 0.01 0.25 0.00 -0.15 0.00 0.00 58.65 59.24 1p1i h GLN 334 Cb 0.82 0.04 -0.06 0.00 1.07 0.00 0.00 27.48 29.36 1p1i h GLN 334 CO -0.23 0.08 0.65 0.35 -2.65 0.00 0.00 178.83 177.03 1p1i h PHE 335 N -0.40 0.27 -0.40 3.99 3.04 -0.31 -0.01 116.94 123.13 1p1i h PHE 335 Ca -0.02 0.01 -0.05 0.00 3.98 0.00 0.00 57.97 61.89 1p1i h PHE 335 Cb 0.32 -0.08 -0.02 0.00 2.56 0.00 0.00 35.95 38.74 1p1i h PHE 335 CO 0.00 0.05 0.04 -0.07 -2.02 0.00 0.00 178.31 176.32 1p1i h LEU 336 N 0.19 0.65 -1.05 0.59 3.38 -1.18 -2.47 115.31 115.42 1p1i h LEU 336 Ca 0.48 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 58.15 1p1i h LEU 336 Cb 1.56 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 42.14 1p1i h LEU 336 CO -0.11 0.76 -0.11 0.58 0.09 0.00 0.00 178.44 179.66 1p1i h VAL 337 N 0.51 0.25 -0.05 1.22 2.07 -0.98 -1.04 116.25 118.23 1p1i h VAL 337 Ca 0.12 -0.90 -0.16 0.00 0.82 0.00 0.00 66.70 66.58 1p1i h VAL 337 Cb 0.40 1.72 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 1p1i h VAL 337 CO 0.01 0.11 -0.69 0.44 0.02 0.00 0.00 177.57 177.46 1p1i h ASP 338 N 0.00 0.29 1.69 0.57 3.45 -1.00 -3.04 116.42 118.37 1p1i h ASP 338 Ca -0.00 -0.18 -0.05 0.00 0.43 0.00 0.00 57.03 57.22 1p1i h ASP 338 Cb 0.71 -0.08 -0.01 0.00 -0.56 0.00 0.00 39.33 39.39 1p1i h ASP 338 CO 0.01 0.89 -0.24 0.00 -1.57 0.00 0.00 179.24 178.33 1p1i h ALA 339 N 1.11 0.86 0.00 3.45 0.00 -1.19 -3.47 119.26 120.01 1p1i h ALA 339 Ca -0.02 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1p1i h ALA 339 Cb 1.23 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1p1i h ALA 339 CO 0.11 0.30 0.00 0.41 0.00 0.00 0.00 179.25 180.06 1p1i n GLY 340 N 1.07 1.10 3.71 0.00 0.00 -1.05 -5.08 105.19 104.94 1p1i n GLY 340 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 1p1i n GLY 340 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1p1i s ILE 341 N -2.00 5.17 -0.73 -0.61 1.01 -0.42 -5.00 121.20 118.62 1p1i s ILE 341 Ca 0.00 0.94 -0.20 0.00 0.00 0.00 0.00 60.65 61.38 1p1i s ILE 341 Cb 0.00 -3.82 0.10 0.00 0.01 0.00 0.00 42.46 38.75 1p1i s ILE 341 CO 0.00 0.29 0.95 -0.75 0.00 0.00 0.00 174.94 175.43 1p1i s LYS 342 N 0.86 3.26 -1.20 2.79 2.20 -1.25 -3.84 119.74 122.57 1p1i s LYS 342 Ca 0.25 -1.28 -0.21 0.00 -0.36 0.00 0.00 55.97 54.37 1p1i s LYS 342 Cb -0.15 -4.46 -0.03 0.00 -1.51 0.00 0.00 37.83 31.68 1p1i s LYS 342 CO 0.10 -1.73 1.85 -1.25 -0.36 0.00 0.00 175.35 173.96 1p1i s PRO 343 N 3.23 3.02 0.00 4.03 0.04 -1.26 -2.21 135.00 141.84 1p1i s PRO 343 Ca 0.23 -1.37 0.02 0.00 0.04 0.00 0.00 61.00 59.92 1p1i s PRO 343 Cb -0.15 -5.33 0.11 0.00 0.04 0.00 0.00 34.50 29.17 1p1i s PRO 343 CO 0.03 -3.32 0.98 1.33 0.04 0.00 0.00 177.00 176.05 1p1i n VAL 344 N 7.33 1.45 -3.72 -0.36 0.24 -1.07 -4.68 118.33 117.52 1p1i n VAL 344 Ca 0.45 0.36 -0.14 0.00 -2.04 0.00 0.00 64.34 62.98 1p1i n VAL 344 Cb 0.47 -1.32 -0.08 0.00 -1.47 0.00 0.00 33.84 31.43 1p1i n VAL 344 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1p1i s SER 345 N -2.79 -0.25 -0.46 -1.34 0.15 -0.70 -2.67 113.70 105.64 1p1i s SER 345 Ca 0.02 0.12 0.06 0.00 0.70 0.00 0.00 55.95 56.85 1p1i s SER 345 Cb 0.02 0.35 0.22 0.00 -1.71 0.00 0.00 66.02 64.90 1p1i s SER 345 CO 0.04 -0.51 0.71 -0.38 1.20 0.00 0.00 173.24 174.31 1p1i n ILE 346 N 1.07 -0.29 -2.72 6.45 5.41 0.21 -2.22 119.36 127.27 1p1i n ILE 346 Ca -0.21 -2.18 -0.43 0.00 1.00 0.00 0.00 62.75 60.93 1p1i n ILE 346 Cb 0.57 0.27 0.00 0.00 -0.71 0.00 0.00 39.64 39.77 1p1i n ILE 346 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1p1i n ALA 347 N 1.98 4.06 -2.75 -1.39 0.00 -0.74 -3.77 120.51 117.90 1p1i n ALA 347 Ca 0.16 -4.14 -0.25 0.00 0.00 0.00 0.00 53.44 49.21 1p1i n ALA 347 Cb 0.58 -3.21 -0.06 0.00 0.00 0.00 0.00 19.45 16.76 1p1i n ALA 347 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1p1i s SER 348 N 2.95 5.22 -0.28 0.00 0.01 -1.26 -3.40 113.70 116.93 1p1i s SER 348 Ca 0.45 -0.28 -0.19 0.00 1.31 0.00 0.00 55.95 57.24 1p1i s SER 348 Cb 0.01 -1.26 0.12 0.00 0.21 0.00 0.00 66.02 65.10 1p1i s SER 348 CO 0.02 0.04 0.91 -0.72 0.41 0.00 0.00 173.24 173.90 1p1i s TYR 349 N -1.89 -0.67 0.00 2.43 -0.85 0.23 -4.23 117.35 112.37 1p1i s TYR 349 Ca 0.30 1.43 0.00 0.00 -0.52 0.00 0.00 57.07 58.28 1p1i s TYR 349 Cb -0.09 0.41 0.00 0.00 0.38 0.00 0.00 41.96 42.66 1p1i s TYR 349 CO 0.22 -0.33 0.00 0.27 -1.52 0.00 0.00 175.55 174.19 1p1i n ASN 350 N 3.34 1.10 0.00 -0.18 6.94 0.84 -2.77 115.26 124.53 1p1i n ASN 350 Ca -0.17 -0.70 0.00 0.00 -0.02 0.00 0.00 54.58 53.69 1p1i n ASN 350 Cb 0.57 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.99 1p1i n ASN 350 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1p1i n HIS 351 N -0.32 0.00 -3.87 -2.53 1.44 -1.18 -2.93 115.22 105.84 1p1i n HIS 351 Ca 0.00 0.00 -0.05 0.00 -2.01 0.00 0.00 57.72 55.66 1p1i n HIS 351 Cb 0.00 0.00 0.02 0.00 0.12 0.00 0.00 29.99 30.13 1p1i n HIS 351 CO 0.00 0.00 0.00 -0.48 -2.81 0.00 0.00 176.34 173.05 1p1i s LEU 352 N 0.00 0.01 0.00 2.39 2.34 -0.61 -2.80 118.68 120.01 1p1i s LEU 352 Ca 0.00 -0.82 0.07 0.00 0.06 0.00 0.00 54.13 53.44 1p1i s LEU 352 Cb 0.00 2.31 0.44 0.00 -0.56 0.00 0.00 46.19 48.37 1p1i s LEU 352 CO 0.00 -1.20 0.85 0.61 -1.06 0.00 0.00 176.35 175.55 1p1i n GLY 353 N -0.66 -0.39 0.00 -3.48 0.00 -1.09 0.06 105.19 99.63 1p1i n GLY 353 Ca -0.04 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1p1i n GLY 353 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1p1i n ILE 380 N -0.79 0.00 0.55 -0.61 5.41 -1.26 -4.42 119.36 118.23 1p1i n ILE 380 Ca 0.05 0.00 0.12 0.00 1.00 0.00 0.00 62.75 63.93 1p1i n ILE 380 Cb 0.03 0.00 0.45 0.00 -0.71 0.00 0.00 39.64 39.40 1p1i n ILE 380 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 1p1i n ILE 381 N 0.00 0.67 0.07 1.39 5.41 -1.26 -2.48 119.36 123.16 1p1i n ILE 381 Ca 0.00 -0.04 0.06 0.00 1.00 0.00 0.00 62.75 63.77 1p1i n ILE 381 Cb 0.00 -0.83 -0.04 0.00 -0.71 0.00 0.00 39.64 38.05 1p1i n ILE 381 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1p1i n ALA 382 N -1.76 2.23 -0.03 -1.39 0.00 -1.26 -4.43 120.51 113.88 1p1i n ALA 382 Ca 0.04 -0.39 -0.00 0.00 0.00 0.00 0.00 53.44 53.09 1p1i n ALA 382 Cb 0.33 -1.03 -0.00 0.00 0.00 0.00 0.00 19.45 18.75 1p1i n ALA 382 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1p1i h SER 383 N 0.00 -0.01 -3.79 0.00 4.64 -1.93 -3.44 113.55 109.03 1p1i h SER 383 Ca -0.08 0.00 -0.65 0.00 -0.47 0.00 0.00 61.79 60.59 1p1i h SER 383 Cb 1.29 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.21 1p1i h SER 383 CO 0.02 0.33 -0.40 0.21 -0.87 0.00 0.00 176.83 176.12 1p1i s ASN 384 N -4.70 6.11 0.00 4.97 2.47 -1.11 -4.91 114.94 117.78 1p1i s ASN 384 Ca -0.00 -0.03 0.05 0.00 0.42 0.00 0.00 52.86 53.29 1p1i s ASN 384 Cb 0.00 -2.16 0.11 0.00 -1.45 0.00 0.00 41.25 37.75 1p1i s ASN 384 CO 0.00 -0.16 1.02 0.47 -3.72 0.00 0.00 177.10 174.71 1p1i n ASP 385 N 5.19 2.20 0.11 -4.21 8.00 -1.26 -3.73 116.55 122.85 1p1i n ASP 385 Ca -0.12 -1.85 -0.02 0.00 0.71 0.00 0.00 54.79 53.52 1p1i n ASP 385 Cb 0.51 -0.08 0.01 0.00 -0.02 0.00 0.00 41.12 41.54 1p1i n ASP 385 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1p1i h ILE 386 N 0.86 1.30 0.00 0.53 2.04 -1.94 -3.25 117.51 117.05 1p1i h ILE 386 Ca 0.00 -2.65 -0.17 0.00 1.00 0.00 0.00 64.86 63.03 1p1i h ILE 386 Cb 0.52 2.52 -0.03 0.00 -0.74 0.00 0.00 36.82 39.09 1p1i h ILE 386 CO 0.00 0.70 -1.92 0.18 0.00 0.00 0.00 178.15 177.11 1p1i n LEU 387 N -3.38 0.00 -3.77 1.44 4.32 -1.26 -4.70 117.00 109.65 1p1i n LEU 387 Ca 0.01 0.00 -0.36 0.00 -0.02 0.00 0.00 56.01 55.64 1p1i n LEU 387 Cb 0.78 0.23 -0.03 0.00 -1.62 0.00 0.00 43.42 42.78 1p1i n LEU 387 CO 0.43 0.23 0.64 -1.22 -1.22 0.00 0.00 177.39 176.25 1p1i n TYR 388 N -2.37 3.00 -4.26 -1.77 4.02 -1.23 -3.53 117.16 111.01 1p1i n TYR 388 Ca -0.16 -3.35 -0.14 0.00 -0.01 0.00 0.00 57.90 54.23 1p1i n TYR 388 Cb 0.78 -0.96 -0.10 0.00 -0.02 0.00 0.00 39.34 39.04 1p1i n TYR 388 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1p1i s ASN 389 N -1.95 1.04 0.00 7.72 4.22 -1.23 -4.57 114.94 120.17 1p1i s ASN 389 Ca 0.35 -1.28 0.00 0.00 -2.14 0.00 0.00 52.86 49.78 1p1i s ASN 389 Cb 0.08 0.17 0.00 0.00 1.28 0.00 0.00 41.25 42.79 1p1i s ASN 389 CO 0.04 -0.67 0.49 0.47 -2.04 0.00 0.00 177.10 175.38 1p1i n ASP 390 N -0.33 1.26 -0.05 3.54 8.00 -1.26 -2.15 116.55 125.56 1p1i n ASP 390 Ca -0.03 -1.38 -0.08 0.00 0.71 0.00 0.00 54.79 54.02 1p1i n ASP 390 Cb 0.65 -0.34 -0.04 0.00 -0.02 0.00 0.00 41.12 41.36 1p1i n ASP 390 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1p1i n LYS 391 N 0.36 0.23 0.00 -1.24 4.81 -1.26 -4.97 118.16 116.09 1p1i n LYS 391 Ca 0.00 0.07 0.00 0.00 -0.87 0.00 0.00 58.31 57.51 1p1i n LYS 391 Cb 0.24 -1.08 0.00 0.00 0.02 0.00 0.00 35.03 34.21 1p1i n LYS 391 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1p1i n LEU 392 N -2.99 0.00 -3.29 3.14 4.32 -0.92 -5.08 117.00 112.18 1p1i n LEU 392 Ca -0.18 0.00 -0.06 0.00 -0.02 0.00 0.00 56.01 55.75 1p1i n LEU 392 Cb 0.66 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 42.41 1p1i n LEU 392 CO 0.07 0.00 -0.02 -0.83 -1.22 0.00 0.00 177.39 175.39 1p1i s GLY 393 N 0.00 -0.60 -0.01 -0.72 0.00 -1.05 -4.93 107.32 100.01 1p1i s GLY 393 Ca 0.00 0.84 0.03 0.00 0.00 0.00 0.00 44.72 45.59 1p1i s GLY 393 CO 0.00 2.95 0.92 0.58 0.00 0.00 0.00 173.10 177.55 1p1i n LYS 394 N 5.37 1.32 -4.41 2.90 -0.00 -1.18 -4.25 118.16 117.92 1p1i n LYS 394 Ca -0.01 -0.37 -0.26 0.00 -0.00 0.00 0.00 58.31 57.67 1p1i n LYS 394 Cb 0.50 -1.26 -0.11 0.00 -0.00 0.00 0.00 35.03 34.16 1p1i n LYS 394 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 1p1i s LYS 395 N -1.64 1.65 -0.03 -1.58 2.47 -1.26 -4.92 119.74 114.43 1p1i s LYS 395 Ca 0.07 -1.54 0.00 0.00 -1.56 0.00 0.00 55.97 52.93 1p1i s LYS 395 Cb 0.04 -1.88 0.03 0.00 -1.46 0.00 0.00 37.83 34.56 1p1i s LYS 395 CO 0.04 0.39 0.01 0.08 0.16 0.00 0.00 175.35 176.02 1p1i s VAL 396 N -1.88 0.14 -0.67 4.02 1.01 -1.26 -4.86 120.40 116.88 1p1i s VAL 396 Ca 0.24 0.13 -0.26 0.00 0.00 0.00 0.00 61.98 62.09 1p1i s VAL 396 Cb -0.07 -0.25 -0.01 0.00 0.00 0.00 0.00 36.38 36.05 1p1i s VAL 396 CO 0.12 0.15 1.68 -1.81 0.00 0.00 0.00 175.10 175.24 1p1i s ASP 397 N 1.18 5.56 0.08 3.32 -0.00 -1.09 -4.94 116.67 120.78 1p1i s ASP 397 Ca -0.08 0.01 0.08 0.00 -0.00 0.00 0.00 52.55 52.57 1p1i s ASP 397 Cb -0.13 -2.54 -0.03 0.00 -0.00 0.00 0.00 42.92 40.22 1p1i s ASP 397 CO -0.02 -2.22 -0.22 -2.28 -0.00 0.00 0.00 175.17 170.43 1p1i s HIS 398 N 8.04 1.91 -0.26 4.23 5.65 -1.26 0.67 115.29 134.26 1p1i s HIS 398 Ca 0.57 -0.40 -0.19 0.00 0.25 0.00 0.00 55.06 55.29 1p1i s HIS 398 Cb -0.11 -1.09 0.07 0.00 -1.18 0.00 0.00 32.58 30.28 1p1i s HIS 398 CO 0.17 0.17 0.67 0.00 -0.65 0.00 0.00 174.74 175.11 1p1i s ILE 400 N 1.02 5.44 -0.40 0.00 -1.09 -1.26 -4.18 121.20 120.72 1p1i s ILE 400 Ca -0.05 0.28 0.04 0.00 -2.23 0.00 0.00 60.65 58.69 1p1i s ILE 400 Cb -0.05 -3.45 0.16 0.00 -1.58 0.00 0.00 42.46 37.54 1p1i s ILE 400 CO -0.10 0.57 0.42 -0.69 -1.23 0.00 0.00 174.94 173.92 1p1i s VAL 401 N -0.67 -0.30 -0.25 2.92 1.01 -1.26 -5.04 120.40 116.81 1p1i s VAL 401 Ca 0.14 -1.33 -0.09 0.00 0.00 0.00 0.00 61.98 60.70 1p1i s VAL 401 Cb -0.12 -0.68 -0.04 0.00 0.00 0.00 0.00 36.38 35.54 1p1i s VAL 401 CO 0.04 -0.63 0.13 -0.51 0.00 0.00 0.00 175.10 174.13 1p1i s ILE 402 N 1.05 4.95 0.39 2.22 2.07 -1.26 -0.11 121.20 130.51 1p1i s ILE 402 Ca 0.22 0.04 0.08 0.00 -1.41 0.00 0.00 60.65 59.58 1p1i s ILE 402 Cb -0.09 -3.33 -0.06 0.00 0.13 0.00 0.00 42.46 39.11 1p1i s ILE 402 CO -0.06 0.31 0.09 -0.54 -1.91 0.00 0.00 174.94 172.83 1p1i s LYS 403 N 1.47 2.12 -0.25 3.50 -0.14 -1.15 -4.91 119.74 120.38 1p1i s LYS 403 Ca 0.06 -1.88 -0.06 0.00 -1.36 0.00 0.00 55.97 52.73 1p1i s LYS 403 Cb -0.15 -1.88 -0.02 0.00 -1.68 0.00 0.00 37.83 34.10 1p1i s LYS 403 CO 0.07 -0.03 0.05 -0.47 -0.76 0.00 0.00 175.35 174.21 1p1i s TYR 404 N -2.60 3.06 -0.51 3.18 6.14 -1.26 -1.57 117.35 123.79 1p1i s TYR 404 Ca 0.38 -0.61 0.05 0.00 0.64 0.00 0.00 57.07 57.53 1p1i s TYR 404 Cb 0.04 -2.21 0.20 0.00 0.42 0.00 0.00 41.96 40.41 1p1i s TYR 404 CO 0.21 -0.43 0.47 -1.33 0.64 0.00 0.00 175.55 175.10 1p1i n MET 405 N 4.89 1.00 -0.20 4.97 2.81 0.11 -4.93 117.12 125.77 1p1i n MET 405 Ca -0.16 -3.71 0.09 0.00 -1.81 0.00 0.00 57.70 52.11 1p1i n MET 405 Cb 0.51 -1.81 0.18 0.00 -0.71 0.00 0.00 33.22 31.38 1p1i n MET 405 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 1p1i n LYS 406 N 2.09 -0.04 -0.28 0.03 4.81 -1.26 -2.09 118.16 121.41 1p1i n LYS 406 Ca 0.26 0.85 0.03 0.00 -0.87 0.00 0.00 58.31 58.57 1p1i n LYS 406 Cb 0.45 -1.36 0.23 0.00 0.02 0.00 0.00 35.03 34.37 1p1i n LYS 406 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 1p1i h PRO 407 N 0.00 1.02 0.00 1.64 0.11 -1.92 -3.01 132.00 129.85 1p1i h PRO 407 Ca 0.36 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.41 1p1i h PRO 407 Cb 0.76 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 31.64 1p1i h PRO 407 CO -0.53 0.67 0.22 -0.39 -0.21 0.00 0.00 178.00 177.77 1p1i h VAL 408 N 1.05 0.00 0.00 3.15 -1.51 -1.72 -3.47 116.25 113.75 1p1i h VAL 408 Ca 0.35 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.82 1p1i h VAL 408 Cb 0.08 0.48 0.00 0.00 -2.13 0.00 0.00 31.29 29.72 1p1i h VAL 408 CO -0.11 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.84 1p1i n GLY 409 N -1.25 0.34 0.08 5.19 0.00 -1.14 -3.01 105.19 105.41 1p1i n GLY 409 Ca -0.01 -0.85 0.12 0.00 0.00 0.00 0.00 46.02 45.27 1p1i n GLY 409 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1p1i h ASP 410 N 4.16 0.00 -2.69 1.61 3.58 -1.83 -2.88 116.42 118.37 1p1i h ASP 410 Ca 0.00 -0.17 -0.57 0.00 0.42 0.00 0.00 57.03 56.71 1p1i h ASP 410 Cb 0.00 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.03 1p1i h ASP 410 CO 0.00 0.08 1.21 -0.44 -2.88 0.00 0.00 179.24 177.21 1p1i s SER 411 N -4.45 6.14 0.21 2.28 0.01 -1.16 -3.09 113.70 113.64 1p1i s SER 411 Ca 0.06 1.54 0.03 0.00 1.31 0.00 0.00 55.95 58.88 1p1i s SER 411 Cb 0.13 -2.53 -0.03 0.00 0.21 0.00 0.00 66.02 63.79 1p1i s SER 411 CO 0.72 -1.47 0.35 -0.75 0.41 0.00 0.00 173.24 172.50 1p1i s LYS 412 N 5.14 3.45 -0.04 12.44 2.20 -0.43 -4.34 119.74 138.16 1p1i s LYS 412 Ca 0.77 -0.62 0.03 0.00 -0.36 0.00 0.00 55.97 55.78 1p1i s LYS 412 Cb -0.25 -2.90 0.01 0.00 -1.51 0.00 0.00 37.83 33.18 1p1i s LYS 412 CO 0.32 0.44 -0.11 0.08 -0.36 0.00 0.00 175.35 175.72 1p1i s VAL 413 N -1.90 0.97 -0.02 4.02 1.01 -1.12 -2.36 120.40 120.99 1p1i s VAL 413 Ca 0.35 -0.43 0.04 0.00 0.00 0.00 0.00 61.98 61.93 1p1i s VAL 413 Cb -0.10 -0.87 -0.00 0.00 0.00 0.00 0.00 36.38 35.41 1p1i s VAL 413 CO 0.29 0.30 -0.13 0.00 0.00 0.00 0.00 175.10 175.57 1p1i s ALA 414 N 0.36 1.10 -0.09 5.51 0.00 0.17 -3.12 121.76 125.70 1p1i s ALA 414 Ca -0.07 -0.51 0.02 0.00 0.00 0.00 0.00 51.96 51.39 1p1i s ALA 414 Cb -0.12 -0.34 0.02 0.00 0.00 0.00 0.00 23.12 22.68 1p1i s ALA 414 CO 0.02 0.23 -0.12 -1.64 0.00 0.00 0.00 175.76 174.24 1p1i s MET 415 N -0.06 1.83 -0.21 0.00 -1.94 -1.12 -0.20 119.30 117.61 1p1i s MET 415 Ca 0.00 -0.43 -0.02 0.00 -1.71 0.00 0.00 55.69 53.54 1p1i s MET 415 Cb -0.08 -1.60 0.06 0.00 2.01 0.00 0.00 34.83 35.22 1p1i s MET 415 CO 0.00 -0.06 0.00 -0.51 -0.01 0.00 0.00 175.02 174.45 1p1i s ASP 416 N 0.98 3.27 -0.16 3.03 1.01 -0.52 -0.60 116.67 123.67 1p1i s ASP 416 Ca -0.08 -0.96 -0.08 0.00 0.71 0.00 0.00 52.55 52.14 1p1i s ASP 416 Cb -0.15 -0.81 -0.04 0.00 1.01 0.00 0.00 42.92 42.93 1p1i s ASP 416 CO -0.00 -0.28 0.12 -0.70 0.21 0.00 0.00 175.17 174.51 1p1i s GLU 417 N 1.69 3.79 -0.13 8.23 2.56 -1.22 -0.53 118.70 133.09 1p1i s GLU 417 Ca -0.03 -0.21 0.03 0.00 0.00 0.00 0.00 54.97 54.76 1p1i s GLU 417 Cb -0.18 -3.26 0.01 0.00 2.00 0.00 0.00 34.13 32.70 1p1i s GLU 417 CO -0.08 0.52 -0.21 0.71 -0.56 0.00 0.00 175.26 175.64 1p1i s TYR 418 N -0.28 2.57 -0.33 5.30 1.51 0.16 -1.80 117.35 124.48 1p1i s TYR 418 Ca 0.11 -1.26 0.03 0.00 -1.01 0.00 0.00 57.07 54.93 1p1i s TYR 418 Cb -0.12 -1.76 0.09 0.00 -0.11 0.00 0.00 41.96 40.07 1p1i s TYR 418 CO 0.01 -0.58 0.04 -0.47 -1.11 0.00 0.00 175.55 173.44 1p1i s TYR 419 N 0.78 3.67 0.28 2.71 6.14 -0.94 -0.79 117.35 129.20 1p1i s TYR 419 Ca -0.08 -2.83 0.09 0.00 0.64 0.00 0.00 57.07 54.89 1p1i s TYR 419 Cb -0.16 -2.79 -0.04 0.00 0.42 0.00 0.00 41.96 39.39 1p1i s TYR 419 CO -0.01 -0.94 0.06 -1.12 0.64 0.00 0.00 175.55 174.19 1p1i s SER 420 N 1.03 4.70 -0.10 4.32 0.01 0.05 -1.72 113.70 122.00 1p1i s SER 420 Ca 0.07 -0.63 -0.04 0.00 1.31 0.00 0.00 55.95 56.67 1p1i s SER 420 Cb -0.20 -0.88 -0.04 0.00 0.21 0.00 0.00 66.02 65.12 1p1i s SER 420 CO -0.07 -0.09 0.05 -0.70 0.41 0.00 0.00 173.24 172.84 1p1i s GLU 421 N -3.74 3.13 0.23 12.44 2.12 -0.94 0.91 118.70 132.85 1p1i s GLU 421 Ca 0.33 -0.32 0.03 0.00 0.36 0.00 0.00 54.97 55.38 1p1i s GLU 421 Cb -0.05 -2.92 0.03 0.00 0.26 0.00 0.00 34.13 31.44 1p1i s GLU 421 CO 0.21 0.73 0.27 1.28 -0.54 0.00 0.00 175.26 177.21 1p1i n LEU 422 N 2.09 0.00 -4.79 2.70 4.77 -0.60 -3.79 117.00 117.39 1p1i n LEU 422 Ca -0.19 -1.06 -0.34 0.00 -0.03 0.00 0.00 56.01 54.39 1p1i n LEU 422 Cb 0.54 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 1p1i n LEU 422 CO 0.29 -0.51 0.74 0.00 -1.33 0.00 0.00 177.39 176.58 1p1i s MET 423 N -3.01 3.37 -1.29 3.23 0.23 -1.26 -4.06 119.30 116.51 1p1i s MET 423 Ca 0.20 1.41 -0.04 0.00 -1.03 0.00 0.00 55.69 56.24 1p1i s MET 423 Cb -0.02 -2.03 -0.01 0.00 -1.53 0.00 0.00 34.83 31.25 1p1i s MET 423 CO 0.13 -0.80 0.66 1.28 -2.03 0.00 0.00 175.02 174.26 1p1i n LEU 424 N -1.57 -2.99 0.00 0.18 4.77 -1.26 -2.95 117.00 113.18 1p1i n LEU 424 Ca 0.10 -0.89 0.00 0.00 -0.03 0.00 0.00 56.01 55.19 1p1i n LEU 424 Cb 0.52 -2.54 0.00 0.00 -2.33 0.00 0.00 43.42 39.07 1p1i n LEU 424 CO 0.44 0.41 0.00 0.61 -1.33 0.00 0.00 177.39 177.51 1p1i n GLY 425 N -1.67 0.91 3.90 -0.72 0.00 -1.26 -5.02 105.19 101.34 1p1i n GLY 425 Ca -0.25 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.47 1p1i n GLY 425 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1p1i s GLY 426 N -2.00 1.70 0.08 -0.02 0.00 -1.15 -4.92 107.32 101.00 1p1i s GLY 426 Ca 0.00 -0.97 -0.08 0.00 0.00 0.00 0.00 44.72 43.67 1p1i s GLY 426 CO 0.00 -0.30 0.17 0.30 0.00 0.00 0.00 173.10 173.27 1p1i s HIS 427 N -3.72 0.17 -0.03 1.90 3.76 -1.26 -1.55 115.29 114.56 1p1i s HIS 427 Ca 0.69 -0.59 0.04 0.00 -0.15 0.00 0.00 55.06 55.06 1p1i s HIS 427 Cb -0.07 -0.08 -0.01 0.00 1.11 0.00 0.00 32.58 33.53 1p1i s HIS 427 CO 0.52 -0.52 -0.15 1.21 -0.85 0.00 0.00 174.74 174.95 1p1i s ASN 428 N -2.78 1.86 -0.16 1.40 3.84 0.26 -4.78 114.94 114.57 1p1i s ASN 428 Ca 0.04 -0.29 -0.00 0.00 0.21 0.00 0.00 52.86 52.81 1p1i s ASN 428 Cb 0.04 -0.40 0.04 0.00 -0.55 0.00 0.00 41.25 40.38 1p1i s ASN 428 CO -0.10 0.15 -0.08 -0.60 -2.79 0.00 0.00 177.10 173.68 1p1i s ARG 429 N -0.08 1.66 -0.05 0.43 3.52 -1.26 -0.77 118.95 122.41 1p1i s ARG 429 Ca 0.00 -0.54 0.06 0.00 -0.13 0.00 0.00 55.73 55.12 1p1i s ARG 429 Cb -0.09 -2.03 -0.01 0.00 -1.56 0.00 0.00 34.95 31.27 1p1i s ARG 429 CO 0.01 -0.38 -0.23 0.42 -0.81 0.00 0.00 175.30 174.31 1p1i s ILE 430 N 1.58 1.85 -0.01 4.11 1.01 0.03 -4.95 121.20 124.82 1p1i s ILE 430 Ca 0.02 -0.96 0.07 0.00 0.00 0.00 0.00 60.65 59.77 1p1i s ILE 430 Cb -0.15 -1.57 -0.02 0.00 0.01 0.00 0.00 42.46 40.74 1p1i s ILE 430 CO -0.08 0.52 -0.22 -0.44 0.00 0.00 0.00 174.94 174.71 1p1i s SER 431 N -0.16 2.64 -0.24 3.58 0.01 -1.26 0.38 113.70 118.65 1p1i s SER 431 Ca -0.02 -0.42 0.02 0.00 1.31 0.00 0.00 55.95 56.85 1p1i s SER 431 Cb -0.12 -0.29 0.06 0.00 0.21 0.00 0.00 66.02 65.87 1p1i s SER 431 CO 0.03 0.27 -0.10 -0.63 0.41 0.00 0.00 173.24 173.21 1p1i s ILE 432 N -0.54 1.99 -0.15 1.44 1.01 0.31 -4.93 121.20 120.33 1p1i s ILE 432 Ca 0.09 -1.46 -0.09 0.00 0.00 0.00 0.00 60.65 59.19 1p1i s ILE 432 Cb -0.09 -2.11 -0.05 0.00 0.01 0.00 0.00 42.46 40.23 1p1i s ILE 432 CO -0.01 0.01 0.16 -2.28 0.00 0.00 0.00 174.94 172.82 1p1i s HIS 433 N 1.20 3.53 -0.04 3.97 2.46 -1.25 -1.44 115.29 123.71 1p1i s HIS 433 Ca -0.07 0.49 -0.01 0.00 0.47 0.00 0.00 55.06 55.94 1p1i s HIS 433 Cb -0.19 -2.07 0.03 0.00 -0.13 0.00 0.00 32.58 30.22 1p1i s HIS 433 CO -0.06 0.53 0.08 1.21 -2.47 0.00 0.00 174.74 174.04 1p1i s ASN 434 N -0.41 -0.02 -0.03 9.88 3.84 0.73 -4.93 114.94 124.00 1p1i s ASN 434 Ca 0.13 0.16 -0.01 0.00 0.21 0.00 0.00 52.86 53.35 1p1i s ASN 434 Cb -0.12 0.06 0.03 0.00 -0.55 0.00 0.00 41.25 40.67 1p1i s ASN 434 CO 0.02 -0.13 0.04 -0.69 -2.79 0.00 0.00 177.10 173.56 1p1i s VAL 435 N 1.04 -0.08 0.00 -5.21 1.01 -1.26 0.46 120.40 116.37 1p1i s VAL 435 Ca -0.08 0.31 -0.29 0.00 0.00 0.00 0.00 61.98 61.91 1p1i s VAL 435 Cb -0.11 -0.11 0.10 0.00 0.00 0.00 0.00 36.38 36.26 1p1i s VAL 435 CO -0.04 0.13 1.06 0.00 0.00 0.00 0.00 175.10 176.24 1p1i s GLU 437 N -2.88 3.44 0.20 0.00 2.02 -1.26 -1.32 118.70 118.89 1p1i s GLU 437 Ca 0.10 -0.00 -0.10 0.00 0.02 0.00 0.00 54.97 54.99 1p1i s GLU 437 Cb 0.00 -4.01 0.28 0.00 0.10 0.00 0.00 34.13 30.50 1p1i s GLU 437 CO -0.04 -1.50 1.22 -0.25 0.02 0.00 0.00 175.26 174.72 1p1i n ASP 438 N 7.73 -0.39 0.01 -0.19 10.43 -1.18 -1.02 116.55 131.94 1p1i n ASP 438 Ca 0.05 1.36 0.06 0.00 2.57 0.00 0.00 54.79 58.83 1p1i n ASP 438 Cb 0.48 -0.36 0.46 0.00 1.84 0.00 0.00 41.12 43.54 1p1i n ASP 438 CO 0.00 0.00 0.00 0.28 -1.07 0.00 0.00 177.20 176.41 1p1i h SER 439 N 0.00 0.41 0.23 -2.24 0.02 -1.91 0.13 113.55 110.19 1p1i h SER 439 Ca 0.33 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.27 1p1i h SER 439 Cb 0.52 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.97 1p1i h SER 439 CO -0.80 0.29 0.00 0.18 -1.14 0.00 0.00 176.83 175.36 1p1i n LEU 440 N -4.48 0.00 -0.03 5.07 4.77 -0.18 -0.79 117.00 121.36 1p1i n LEU 440 Ca 0.04 0.29 -0.03 0.00 -0.03 0.00 0.00 56.01 56.28 1p1i n LEU 440 Cb 0.12 -0.29 -0.06 0.00 -2.33 0.00 0.00 43.42 40.86 1p1i n LEU 440 CO 0.35 -0.18 -0.71 -0.11 -1.33 0.00 0.00 177.39 175.41 1p1i n LEU 441 N -1.29 0.00 0.11 2.23 7.94 0.30 -4.54 117.00 121.74 1p1i n LEU 441 Ca 0.05 0.00 -0.21 0.00 -1.11 0.00 0.00 56.01 54.74 1p1i n LEU 441 Cb 0.09 0.16 -0.13 0.00 0.53 0.00 0.00 43.42 44.07 1p1i n LEU 441 CO 0.09 0.16 -0.10 0.00 -1.11 0.00 0.00 177.39 176.43 1p1i h ALA 442 N 0.38 -0.01 0.19 1.96 0.00 -0.43 -3.19 119.26 118.16 1p1i h ALA 442 Ca -0.17 -0.82 -0.00 0.00 0.00 0.00 0.00 54.91 53.92 1p1i h ALA 442 Cb 1.33 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 1p1i h ALA 442 CO 0.01 0.75 -0.24 1.15 0.00 0.00 0.00 179.25 180.92 1p1i h THR 443 N 0.19 0.00 -0.56 0.00 2.02 -1.22 0.52 112.91 113.86 1p1i h THR 443 Ca -0.19 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.14 1p1i h THR 443 Cb 1.99 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 68.37 1p1i h THR 443 CO 0.24 0.00 0.40 1.55 0.37 0.00 0.00 175.52 178.08 1p1i h PRO 444 N -0.45 0.07 -0.02 6.66 0.13 -1.80 0.53 132.00 137.12 1p1i h PRO 444 Ca -0.02 -0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.98 1p1i h PRO 444 Cb 0.40 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.50 1p1i h PRO 444 CO -0.06 0.04 -0.58 1.25 -0.23 0.00 0.00 178.00 178.43 1p1i h LEU 445 N 0.07 0.08 -0.04 1.56 6.46 -1.37 -0.76 115.31 121.30 1p1i h LEU 445 Ca 0.27 -0.04 -0.02 0.00 -0.12 0.00 0.00 57.88 57.96 1p1i h LEU 445 Cb 0.97 -0.02 -0.00 0.00 -0.73 0.00 0.00 40.66 40.88 1p1i h LEU 445 CO -0.02 0.64 -0.07 0.40 -0.62 0.00 0.00 178.44 178.77 1p1i h ILE 446 N 0.05 1.42 -0.57 4.05 2.04 0.49 -2.47 117.51 122.52 1p1i h ILE 446 Ca -0.01 -1.36 0.11 0.00 1.00 0.00 0.00 64.86 64.61 1p1i h ILE 446 Cb 1.04 2.24 -0.08 0.00 -0.74 0.00 0.00 36.82 39.28 1p1i h ILE 446 CO 0.08 0.37 0.11 0.40 0.00 0.00 0.00 178.15 179.10 1p1i h ILE 447 N -0.40 0.65 -0.24 -0.67 2.04 -0.70 -0.88 117.51 117.30 1p1i h ILE 447 Ca 0.00 -0.08 0.04 0.00 1.00 0.00 0.00 64.86 65.82 1p1i h ILE 447 Cb 0.63 0.39 -0.04 0.00 -0.74 0.00 0.00 36.82 37.06 1p1i h ILE 447 CO 0.02 0.04 -0.01 0.44 0.00 0.00 0.00 178.15 178.64 1p1i h ASP 448 N 0.24 -0.12 -0.12 1.72 3.45 -1.09 -0.64 116.42 119.86 1p1i h ASP 448 Ca 0.30 0.06 0.03 0.00 0.43 0.00 0.00 57.03 57.84 1p1i h ASP 448 Cb 0.44 0.11 -0.03 0.00 -0.56 0.00 0.00 39.33 39.29 1p1i h ASP 448 CO -0.39 -0.03 -0.05 -0.07 -1.57 0.00 0.00 179.24 177.12 1p1i h LEU 449 N 0.06 -0.18 -0.39 1.55 3.38 -0.82 -0.39 115.31 118.52 1p1i h LEU 449 Ca 0.11 0.05 0.05 0.00 0.09 0.00 0.00 57.88 58.18 1p1i h LEU 449 Cb 0.15 0.10 -0.05 0.00 0.09 0.00 0.00 40.66 40.96 1p1i h LEU 449 CO -0.20 -0.07 0.10 -0.07 0.09 0.00 0.00 178.44 178.28 1p1i h LEU 450 N -0.04 0.07 -1.57 1.67 3.38 -0.82 1.00 115.31 118.99 1p1i h LEU 450 Ca 0.06 0.06 -0.05 0.00 0.09 0.00 0.00 57.88 58.04 1p1i h LEU 450 Cb 0.14 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1p1i h LEU 450 CO -0.14 0.07 -0.23 0.58 0.09 0.00 0.00 178.44 178.81 1p1i h VAL 451 N 0.24 1.00 0.00 1.22 2.07 -0.85 -1.68 116.25 118.26 1p1i h VAL 451 Ca 0.19 -0.83 -0.13 0.00 0.82 0.00 0.00 66.70 66.75 1p1i h VAL 451 Cb 0.20 1.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 1p1i h VAL 451 CO -0.22 0.22 -1.11 -0.03 0.02 0.00 0.00 177.57 176.45 1p1i h MET 452 N 0.00 0.00 -0.00 1.57 4.05 -0.25 -2.89 114.93 117.40 1p1i h MET 452 Ca -0.00 0.00 -0.08 0.00 -0.28 0.00 0.00 59.70 59.33 1p1i h MET 452 Cb 0.45 0.00 0.01 0.00 -0.80 0.00 0.00 31.60 31.25 1p1i h MET 452 CO 0.03 0.32 -0.33 1.15 0.23 0.00 0.00 176.91 178.31 1p1i h THR 453 N 0.00 1.52 -0.92 -0.77 2.02 -0.59 -2.15 112.91 112.02 1p1i h THR 453 Ca -0.10 -1.97 0.15 0.00 0.77 0.00 0.00 66.41 65.25 1p1i h THR 453 Cb 1.47 2.72 -0.08 0.00 -1.74 0.00 0.00 68.15 70.52 1p1i h THR 453 CO 0.05 0.55 0.59 -0.08 0.37 0.00 0.00 175.52 176.99 1p1i h GLU 454 N -0.41 0.72 0.14 6.66 4.22 -1.42 -1.25 114.58 123.23 1p1i h GLU 454 Ca -0.04 -0.04 -0.01 0.00 0.08 0.00 0.00 59.36 59.35 1p1i h GLU 454 Cb 1.07 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.16 1p1i h GLU 454 CO 0.06 0.48 -0.07 0.35 -2.18 0.00 0.00 179.01 177.65 1p1i h PHE 455 N 0.74 -0.17 0.00 0.92 3.57 -1.43 -2.68 116.94 117.89 1p1i h PHE 455 Ca 0.47 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.97 1p1i h PHE 455 Cb 0.72 0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.52 1p1i h PHE 455 CO -0.00 0.15 0.00 0.00 -2.23 0.00 0.00 178.31 176.23 1p1i h THR 457 N 0.00 1.30 -0.52 0.00 2.02 -0.89 -3.11 112.91 111.70 1p1i h THR 457 Ca 0.00 -1.78 -0.16 0.00 0.77 0.00 0.00 66.41 65.25 1p1i h THR 457 Cb 0.08 1.71 -0.09 0.00 -1.74 0.00 0.00 68.15 68.10 1p1i h THR 457 CO 0.00 0.57 0.20 0.54 0.37 0.00 0.00 175.52 177.20 1p1i n ARG 458 N -3.98 2.83 -4.03 6.66 1.74 -0.49 -4.84 116.66 114.56 1p1i n ARG 458 Ca -0.04 -2.09 -0.29 0.00 -0.77 0.00 0.00 57.85 54.66 1p1i n ARG 458 Cb 0.62 -1.92 -0.17 0.00 -1.02 0.00 0.00 32.46 29.98 1p1i n ARG 458 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1p1i s VAL 459 N -2.21 1.47 0.04 1.55 1.01 -1.18 -0.60 120.40 120.48 1p1i s VAL 459 Ca 0.38 -0.57 0.06 0.00 0.00 0.00 0.00 61.98 61.84 1p1i s VAL 459 Cb 0.30 -1.39 -0.02 0.00 0.00 0.00 0.00 36.38 35.27 1p1i s VAL 459 CO 0.09 0.44 -0.16 -0.94 0.00 0.00 0.00 175.10 174.53 1p1i s SER 460 N 1.49 1.95 0.49 3.32 1.04 0.56 -4.12 113.70 118.44 1p1i s SER 460 Ca 0.04 -0.47 0.02 0.00 0.48 0.00 0.00 55.95 56.02 1p1i s SER 460 Cb -0.13 -0.15 -0.01 0.00 0.10 0.00 0.00 66.02 65.84 1p1i s SER 460 CO -0.10 0.09 0.04 -0.72 0.98 0.00 0.00 173.24 173.53 1p1i s TYR 461 N -0.80 1.79 -0.19 5.02 -0.85 0.36 0.25 117.35 122.94 1p1i s TYR 461 Ca 0.04 -1.08 -0.10 0.00 -0.52 0.00 0.00 57.07 55.40 1p1i s TYR 461 Cb -0.08 -1.47 0.06 0.00 0.38 0.00 0.00 41.96 40.86 1p1i s TYR 461 CO 0.01 0.05 0.46 0.21 -1.52 0.00 0.00 175.55 174.76 1p1i s LYS 462 N -3.83 0.44 -0.85 -3.49 2.20 0.18 -1.42 119.74 112.97 1p1i s LYS 462 Ca 0.08 0.86 -0.18 0.00 -0.36 0.00 0.00 55.97 56.37 1p1i s LYS 462 Cb 0.01 0.01 0.14 0.00 -1.51 0.00 0.00 37.83 36.47 1p1i s LYS 462 CO 0.05 -0.16 1.00 0.21 -0.36 0.00 0.00 175.35 176.09 1p1i s LYS 463 N 1.42 3.50 0.37 4.03 2.20 -1.26 -0.00 119.74 130.00 1p1i s LYS 463 Ca -0.09 -1.77 -0.04 0.00 -0.36 0.00 0.00 55.97 53.71 1p1i s LYS 463 Cb -0.08 -4.70 -0.04 0.00 -1.51 0.00 0.00 37.83 31.50 1p1i s LYS 463 CO -0.14 -1.66 0.63 0.14 -0.36 0.00 0.00 175.35 173.97 1p1i s VAL 464 N 2.31 5.00 0.20 4.02 -7.23 -1.13 -4.99 120.40 118.58 1p1i s VAL 464 Ca 0.27 -0.04 0.07 0.00 -1.81 0.00 0.00 61.98 60.46 1p1i s VAL 464 Cb -0.09 -3.82 -0.04 0.00 0.56 0.00 0.00 36.38 33.00 1p1i s VAL 464 CO -0.06 -0.57 0.09 -0.62 -0.31 0.00 0.00 175.10 173.63 1p1i s ASP 465 N -3.73 5.17 0.00 4.85 2.15 -1.26 -4.12 116.67 119.73 1p1i s ASP 465 Ca 0.44 -0.30 0.30 0.00 0.43 0.00 0.00 52.55 53.42 1p1i s ASP 465 Cb -0.10 -1.23 1.50 0.00 -0.30 0.00 0.00 42.92 42.79 1p1i s ASP 465 CO 0.36 0.04 2.00 -0.81 -0.17 0.00 0.00 175.17 176.60 1p1i n PRO 466 N -0.53 1.26 -0.77 4.34 -0.04 -1.26 -3.29 135.00 134.71 1p1i n PRO 466 Ca -0.08 -0.42 -0.03 0.00 -0.04 0.00 0.00 63.50 62.93 1p1i n PRO 466 Cb 0.56 -1.49 0.20 0.00 -0.04 0.00 0.00 33.50 32.73 1p1i n PRO 466 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1p1i n VAL 467 N -0.50 2.50 0.00 0.52 0.31 -1.26 -4.81 118.33 115.08 1p1i n VAL 467 Ca 0.21 -2.82 0.00 0.00 -0.01 0.00 0.00 64.34 61.72 1p1i n VAL 467 Cb 0.23 -0.31 0.00 0.00 -0.91 0.00 0.00 33.84 32.85 1p1i n VAL 467 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1p1i n LYS 468 N -1.12 0.00 -1.09 5.55 4.81 -1.21 -5.17 118.16 119.94 1p1i n LYS 468 Ca 0.31 0.00 -0.34 0.00 -0.87 0.00 0.00 58.31 57.41 1p1i n LYS 468 Cb 0.98 0.00 0.12 0.00 0.02 0.00 0.00 35.03 36.15 1p1i n LYS 468 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1p1i n GLU 469 N 0.00 0.14 -3.62 1.64 0.00 -1.26 -3.65 120.64 113.89 1p1i n GLU 469 Ca 0.00 0.11 -0.16 0.00 0.00 0.00 0.00 57.16 57.11 1p1i n GLU 469 Cb 0.00 -2.26 -0.01 0.00 0.00 0.00 0.00 31.44 29.17 1p1i n GLU 469 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1p1i n ASP 470 N -2.53 -0.85 -4.01 4.31 8.00 -1.26 -4.90 116.55 115.32 1p1i n ASP 470 Ca 0.12 -0.50 -0.31 0.00 0.71 0.00 0.00 54.79 54.81 1p1i n ASP 470 Cb 0.51 -0.61 -0.15 0.00 -0.02 0.00 0.00 41.12 40.84 1p1i n ASP 470 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1p1i s ALA 471 N -4.10 2.22 0.00 2.24 0.00 -1.24 -5.06 121.76 115.82 1p1i s ALA 471 Ca 0.12 -1.47 0.00 0.00 0.00 0.00 0.00 51.96 50.61 1p1i s ALA 471 Cb -0.07 -1.44 0.00 0.00 0.00 0.00 0.00 23.12 21.61 1p1i s ALA 471 CO 0.38 -1.05 0.00 0.41 0.00 0.00 0.00 175.76 175.50 1p1i n GLY 472 N 4.58 3.29 3.76 0.00 0.00 -1.26 -4.78 105.19 110.78 1p1i n GLY 472 Ca -0.14 -1.93 -0.27 0.00 0.00 0.00 0.00 46.02 43.68 1p1i n GLY 472 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1p1i s LYS 473 N -2.80 2.76 0.05 1.61 2.47 -1.26 -5.06 119.74 117.51 1p1i s LYS 473 Ca 0.00 -0.91 -0.30 0.00 -1.56 0.00 0.00 55.97 53.19 1p1i s LYS 473 Cb 0.00 -2.58 -0.05 0.00 -1.46 0.00 0.00 37.83 33.74 1p1i s LYS 473 CO 0.00 0.49 1.17 -0.06 0.16 0.00 0.00 175.35 177.11 1p1i s PHE 474 N -1.69 3.45 0.33 4.03 0.40 -1.26 -4.80 117.98 118.44 1p1i s PHE 474 Ca 0.30 1.34 0.08 0.00 -0.60 0.00 0.00 56.93 58.05 1p1i s PHE 474 Cb -0.10 -3.39 -0.04 0.00 0.51 0.00 0.00 43.02 40.00 1p1i s PHE 474 CO 0.22 -1.13 0.14 -1.21 0.70 0.00 0.00 175.22 173.94 1p1i s GLU 475 N 1.11 2.40 0.31 0.44 8.01 -0.51 -4.88 118.70 125.57 1p1i s GLU 475 Ca 0.58 -1.52 0.09 0.00 0.01 0.00 0.00 54.97 54.12 1p1i s GLU 475 Cb -0.28 -2.20 -0.04 0.00 -4.31 0.00 0.00 34.13 27.30 1p1i s GLU 475 CO 0.29 0.13 0.10 0.54 0.01 0.00 0.00 175.26 176.33 1p1i s ASN 476 N -3.85 4.71 -0.06 -0.19 6.03 -1.26 -0.49 114.94 119.84 1p1i s ASN 476 Ca 0.37 -0.69 -0.37 0.00 -1.03 0.00 0.00 52.86 51.14 1p1i s ASN 476 Cb -0.03 -0.82 -0.18 0.00 -3.03 0.00 0.00 41.25 37.20 1p1i s ASN 476 CO 0.23 -0.19 1.02 0.49 -2.03 0.00 0.00 177.10 176.62 1p1i n PHE 477 N -1.08 0.70 -1.28 1.54 3.72 -1.26 -4.78 117.46 115.02 1p1i n PHE 477 Ca -0.04 0.97 -0.45 0.00 -0.05 0.00 0.00 57.45 57.87 1p1i n PHE 477 Cb 0.60 -1.90 -0.03 0.00 -0.94 0.00 0.00 39.48 37.21 1p1i n PHE 477 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 1p1i n TYR 478 N 1.63 -0.28 -0.21 1.38 9.36 -1.26 -4.68 117.16 123.09 1p1i n TYR 478 Ca 0.19 0.89 0.21 0.00 3.32 0.00 0.00 57.90 62.51 1p1i n TYR 478 Cb 0.06 -1.79 0.38 0.00 -0.63 0.00 0.00 39.34 37.35 1p1i n TYR 478 CO 0.00 0.00 0.00 -2.30 0.22 0.00 0.00 176.86 174.78 1p1i n PRO 479 N 0.98 -0.03 -3.05 2.98 -0.02 -1.26 -3.80 135.00 130.79 1p1i n PRO 479 Ca 0.17 0.85 -0.43 0.00 -2.02 0.00 0.00 63.50 62.06 1p1i n PRO 479 Cb 0.20 -1.54 -0.06 0.00 -0.02 0.00 0.00 33.50 32.07 1p1i n PRO 479 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1p1i s VAL 480 N -4.90 4.75 -1.40 -1.45 1.01 -1.26 -0.01 120.40 117.15 1p1i s VAL 480 Ca -0.05 0.23 -0.14 0.00 0.00 0.00 0.00 61.98 62.02 1p1i s VAL 480 Cb 0.21 -4.26 -0.01 0.00 0.00 0.00 0.00 36.38 32.32 1p1i s VAL 480 CO 0.49 -0.65 2.33 0.18 0.00 0.00 0.00 175.10 177.45 1p1i n LEU 481 N 6.46 6.86 0.07 3.92 4.77 -1.08 -4.73 117.00 133.27 1p1i n LEU 481 Ca -0.00 -4.01 0.04 0.00 -0.03 0.00 0.00 56.01 52.01 1p1i n LEU 481 Cb 0.48 -1.56 0.19 0.00 -2.33 0.00 0.00 43.42 40.20 1p1i n LEU 481 CO 0.56 1.12 0.63 0.35 -1.33 0.00 0.00 177.39 178.72 1p1i n THR 482 N 4.88 1.18 0.45 -5.08 -2.24 -1.26 -0.70 114.28 111.51 1p1i n THR 482 Ca 0.57 0.60 0.10 0.00 -2.27 0.00 0.00 64.05 63.05 1p1i n THR 482 Cb 0.35 -1.60 0.43 0.00 -2.10 0.00 0.00 70.33 67.40 1p1i n THR 482 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1p1i n PHE 483 N -1.70 0.51 -1.11 4.78 0.99 -1.26 -2.74 117.46 116.92 1p1i n PHE 483 Ca -0.00 0.20 -0.20 0.00 -0.00 0.00 0.00 57.45 57.44 1p1i n PHE 483 Cb 0.17 -0.82 0.20 0.00 -1.00 0.00 0.00 39.48 38.03 1p1i n PHE 483 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 1p1i n LEU 484 N -1.96 6.50 -0.06 4.37 4.77 0.12 -4.37 117.00 126.36 1p1i n LEU 484 Ca 0.03 -3.45 0.13 0.00 -0.03 0.00 0.00 56.01 52.69 1p1i n LEU 484 Cb 0.22 -0.81 0.45 0.00 -2.33 0.00 0.00 43.42 40.94 1p1i n LEU 484 CO 0.18 0.98 0.71 -1.20 -1.33 0.00 0.00 177.39 176.73 1p1i n SER 485 N -0.89 0.45 0.12 -1.43 7.64 -1.11 -3.62 113.62 114.79 1p1i n SER 485 Ca 0.54 -0.26 -0.01 0.00 1.01 0.00 0.00 58.87 60.15 1p1i n SER 485 Cb 1.58 -0.02 0.23 0.00 -1.01 0.00 0.00 64.21 64.99 1p1i n SER 485 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 1p1i h TYR 486 N 0.32 0.15 -0.46 1.43 3.20 -1.83 -3.10 116.97 116.68 1p1i h TYR 486 Ca 0.00 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.82 1p1i h TYR 486 Cb 0.46 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.70 1p1i h TYR 486 CO 0.00 0.58 0.00 0.91 -1.64 0.00 0.00 178.16 178.01 1p1i n TRP 487 N -3.97 1.08 -4.10 -3.82 8.01 -1.24 -4.89 117.44 108.51 1p1i n TRP 487 Ca -0.02 -0.66 -0.24 0.00 -1.31 0.00 0.00 57.50 55.27 1p1i n TRP 487 Cb 0.51 -0.21 -0.17 0.00 -2.01 0.00 0.00 31.31 29.43 1p1i n TRP 487 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.69 176.17 1p1i s LEU 488 N -1.93 1.22 0.11 -0.99 1.02 -1.17 -1.65 118.68 115.29 1p1i s LEU 488 Ca 0.41 -0.22 -0.28 0.00 0.02 0.00 0.00 54.13 54.06 1p1i s LEU 488 Cb 0.28 -0.67 -0.09 0.00 0.02 0.00 0.00 46.19 45.73 1p1i s LEU 488 CO 0.18 -0.08 1.62 0.11 0.02 0.00 0.00 176.35 178.20 1p1i h LYS 489 N 7.69 -0.51 -3.35 1.70 1.57 -0.62 -3.33 116.57 119.72 1p1i h LYS 489 Ca -0.30 0.03 -0.73 0.00 -1.87 0.00 0.00 60.65 57.78 1p1i h LYS 489 Cb 1.15 0.12 -0.33 0.00 0.08 0.00 0.00 32.23 33.24 1p1i h LYS 489 CO 0.41 -0.34 0.09 0.00 -0.57 0.00 0.00 179.45 179.04 1p1i n ALA 490 N -2.67 3.98 -1.56 3.86 0.00 -0.93 -5.03 120.51 118.16 1p1i n ALA 490 Ca -0.07 -4.63 -0.50 0.00 0.00 0.00 0.00 53.44 48.24 1p1i n ALA 490 Cb 0.32 -1.93 -0.04 0.00 0.00 0.00 0.00 19.45 17.79 1p1i n ALA 490 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1p1i n PRO 491 N 2.35 0.99 -2.62 0.00 -0.02 -1.25 -3.81 135.00 130.64 1p1i n PRO 491 Ca 0.23 0.35 -0.27 0.00 -2.02 0.00 0.00 63.50 61.79 1p1i n PRO 491 Cb 0.37 -1.82 0.00 0.00 -0.02 0.00 0.00 33.50 32.04 1p1i n PRO 491 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1p1i s LEU 492 N 0.75 3.61 0.32 2.45 1.98 -1.26 -4.90 118.68 121.63 1p1i s LEU 492 Ca 0.74 0.93 -0.08 0.00 -2.89 0.00 0.00 54.13 52.84 1p1i s LEU 492 Cb -0.89 -3.89 0.01 0.00 0.66 0.00 0.00 46.19 42.08 1p1i s LEU 492 CO 0.53 -0.59 0.51 0.42 -1.89 0.00 0.00 176.35 175.32 1p1i s THR 493 N -2.76 0.00 -0.19 3.68 -4.23 -1.26 -4.85 115.64 106.03 1p1i s THR 493 Ca 0.48 -1.47 -0.12 0.00 -1.18 0.00 0.00 61.69 59.40 1p1i s THR 493 Cb -0.10 -2.53 -0.05 0.00 1.34 0.00 0.00 72.50 71.16 1p1i s THR 493 CO 0.45 0.00 0.23 0.00 -0.54 0.00 0.00 174.62 174.76 1p1i s ARG 494 N -3.28 4.21 0.50 3.99 1.70 -1.26 -5.04 118.95 119.77 1p1i s ARG 494 Ca 0.26 -0.05 -0.15 0.00 -0.47 0.00 0.00 55.73 55.33 1p1i s ARG 494 Cb -0.01 -3.45 -0.12 0.00 -0.57 0.00 0.00 34.95 30.80 1p1i s ARG 494 CO 0.15 0.21 -0.23 -2.30 -1.08 0.00 0.00 175.30 172.06 1p1i n PRO 495 N 3.73 0.00 0.00 3.89 -0.02 -1.26 -3.32 135.00 138.02 1p1i n PRO 495 Ca -0.13 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.35 1p1i n PRO 495 Cb 0.52 -0.82 0.00 0.00 -0.02 0.00 0.00 33.50 33.18 1p1i n PRO 495 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1p1i n GLY 496 N 2.24 2.83 3.41 -1.23 0.00 -1.26 -5.01 105.19 106.16 1p1i n GLY 496 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 1p1i n GLY 496 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1p1i s PHE 497 N -1.97 2.58 -0.21 1.61 0.08 -1.21 -5.11 117.98 113.75 1p1i s PHE 497 Ca 0.00 -0.31 -0.16 0.00 0.12 0.00 0.00 56.93 56.58 1p1i s PHE 497 Cb 0.00 -1.60 -0.04 0.00 -0.57 0.00 0.00 43.02 40.81 1p1i s PHE 497 CO 0.00 0.07 0.41 -1.01 -0.10 0.00 0.00 175.22 174.59 1p1i s HIS 498 N -0.59 3.35 0.08 0.36 3.76 -1.26 -4.79 115.29 116.19 1p1i s HIS 498 Ca 0.09 0.60 -0.30 0.00 -0.15 0.00 0.00 55.06 55.30 1p1i s HIS 498 Cb -0.11 -2.56 -0.05 0.00 1.11 0.00 0.00 32.58 30.97 1p1i s HIS 498 CO 0.01 -0.06 1.05 -1.25 -0.85 0.00 0.00 174.74 173.63 1p1i s PRO 499 N 1.50 4.57 0.18 8.40 0.04 -1.26 -5.01 135.00 143.42 1p1i s PRO 499 Ca 0.19 1.57 -0.30 0.00 0.04 0.00 0.00 61.00 62.50 1p1i s PRO 499 Cb -0.15 -3.38 -0.08 0.00 0.04 0.00 0.00 34.50 30.94 1p1i s PRO 499 CO 0.08 -0.01 1.10 0.08 0.04 0.00 0.00 177.00 178.29 1p1i s VAL 500 N 0.53 3.86 -1.61 -0.36 1.01 -1.26 -4.93 120.40 117.64 1p1i s VAL 500 Ca 0.52 1.62 0.16 0.00 0.00 0.00 0.00 61.98 64.28 1p1i s VAL 500 Cb -0.25 -4.03 0.37 0.00 0.00 0.00 0.00 36.38 32.46 1p1i s VAL 500 CO 0.30 0.28 1.28 0.59 0.00 0.00 0.00 175.10 177.55 1p1i n ASN 501 N 2.34 3.11 -4.55 3.32 3.02 -1.26 -4.92 115.26 116.32 1p1i n ASN 501 Ca 0.03 -1.91 -0.37 0.00 -0.03 0.00 0.00 54.58 52.30 1p1i n ASN 501 Cb 0.46 -0.25 -0.03 0.00 -0.61 0.00 0.00 39.78 39.35 1p1i n ASN 501 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1p1i s GLY 502 N -1.12 0.09 0.25 7.41 0.00 -1.26 -4.86 107.32 107.84 1p1i s GLY 502 Ca 0.30 -0.64 -0.04 0.00 0.00 0.00 0.00 44.72 44.34 1p1i s GLY 502 CO 0.23 3.54 1.66 -2.00 0.00 0.00 0.00 173.10 176.53 1p1i h LEU 503 N 17.11 -0.12 -0.31 0.66 5.85 -1.91 0.54 115.31 137.12 1p1i h LEU 503 Ca -0.22 0.17 0.05 0.00 0.84 0.00 0.00 57.88 58.72 1p1i h LEU 503 Cb 1.16 0.26 -0.04 0.00 0.37 0.00 0.00 40.66 42.41 1p1i h LEU 503 CO 1.21 -0.11 0.04 0.78 -0.34 0.00 0.00 178.44 180.01 1p1i h ASN 504 N 0.19 -0.03 0.64 1.25 4.21 -1.94 0.26 115.58 120.16 1p1i h ASN 504 Ca 0.44 0.06 -0.11 0.00 1.21 0.00 0.00 56.30 57.89 1p1i h ASN 504 Cb 0.79 0.09 -0.02 0.00 -1.12 0.00 0.00 38.32 38.06 1p1i h ASN 504 CO -0.59 0.02 -0.54 0.11 -1.29 0.00 0.00 177.43 175.13 1p1i h LYS 505 N 0.15 0.00 0.00 0.81 1.57 -1.56 0.96 116.57 118.49 1p1i h LYS 505 Ca 0.15 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.89 1p1i h LYS 505 Cb 0.18 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 1p1i h LYS 505 CO -0.21 0.54 -0.18 1.96 -0.57 0.00 0.00 179.45 180.99 1p1i h GLN 506 N 0.00 0.00 0.01 3.15 4.20 0.14 -0.97 115.11 121.64 1p1i h GLN 506 Ca -0.01 0.00 -0.32 0.00 0.06 0.00 0.00 58.65 58.38 1p1i h GLN 506 Cb 1.01 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.73 1p1i h GLN 506 CO 0.07 0.18 -1.95 -2.13 -0.67 0.00 0.00 178.83 174.32 1p1i n ARG 507 N -3.35 0.66 -0.12 1.46 0.00 0.79 -3.79 116.66 112.31 1p1i n ARG 507 Ca 0.00 0.20 -0.10 0.00 -0.00 0.00 0.00 57.85 57.96 1p1i n ARG 507 Cb 0.39 -1.70 -0.02 0.00 0.00 0.00 0.00 32.46 31.13 1p1i n ARG 507 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.63 178.78 1p1i h THR 508 N 0.01 1.22 -0.11 5.15 2.02 -0.55 -0.86 112.91 119.79 1p1i h THR 508 Ca -0.38 -0.75 0.04 0.00 0.77 0.00 0.00 66.41 66.09 1p1i h THR 508 Cb 2.08 1.06 -0.05 0.00 -1.74 0.00 0.00 68.15 69.49 1p1i h THR 508 CO 0.06 0.25 -0.19 0.00 0.37 0.00 0.00 175.52 176.02 1p1i h ALA 509 N 0.92 -0.15 -0.03 6.16 0.00 -1.34 -0.04 119.26 124.78 1p1i h ALA 509 Ca 0.11 0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.08 1p1i h ALA 509 Cb 0.30 0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1p1i h ALA 509 CO 0.00 -0.65 -0.08 1.25 0.00 0.00 0.00 179.25 179.77 1p1i h LEU 510 N -0.25 -0.25 -0.71 0.00 5.85 -1.62 -2.16 115.31 116.16 1p1i h LEU 510 Ca 0.09 0.04 0.08 0.00 0.84 0.00 0.00 57.88 58.94 1p1i h LEU 510 Cb 0.38 0.11 -0.07 0.00 0.37 0.00 0.00 40.66 41.46 1p1i h LEU 510 CO -0.26 -0.12 0.38 -0.08 -0.34 0.00 0.00 178.44 178.02 1p1i h GLU 511 N -0.13 0.64 0.00 1.25 4.81 -0.77 -1.13 114.58 119.25 1p1i h GLU 511 Ca 0.04 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.21 1p1i h GLU 511 Cb 0.19 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.42 1p1i h GLU 511 CO -0.11 0.42 -0.13 -0.91 -0.73 0.00 0.00 179.01 177.56 1p1i h ASN 512 N 0.66 0.00 -0.03 1.04 2.35 -0.61 -2.73 115.58 116.26 1p1i h ASN 512 Ca 0.34 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.08 1p1i h ASN 512 Cb 0.31 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.68 1p1i h ASN 512 CO -0.24 0.13 -0.02 0.15 -1.65 0.00 0.00 177.43 175.80 1p1i h PHE 513 N 0.00 0.08 -0.32 1.19 -0.00 -0.57 -1.67 116.94 115.65 1p1i h PHE 513 Ca -0.00 -0.02 0.06 0.00 -0.00 0.00 0.00 57.97 58.00 1p1i h PHE 513 Cb 0.42 -0.02 -0.05 0.00 -0.00 0.00 0.00 35.95 36.30 1p1i h PHE 513 CO 0.00 0.49 -0.01 -0.07 -0.00 0.00 0.00 178.31 178.72 1p1i h LEU 514 N -0.35 -0.15 0.25 0.59 -0.00 -1.34 -1.50 115.31 112.80 1p1i h LEU 514 Ca 0.01 0.08 -0.00 0.00 -0.00 0.00 0.00 57.88 57.96 1p1i h LEU 514 Cb 0.47 0.14 -0.03 0.00 -0.00 0.00 0.00 40.66 41.24 1p1i h LEU 514 CO 0.01 -0.04 -0.42 0.03 -0.00 0.00 0.00 178.44 178.01 1p1i h ARG 515 N 0.08 -0.69 -0.98 1.13 3.08 -1.41 -2.57 114.38 113.02 1p1i h ARG 515 Ca 0.15 0.05 0.11 0.00 0.07 0.00 0.00 59.98 60.37 1p1i h ARG 515 Cb 0.21 0.16 -0.08 0.00 0.08 0.00 0.00 29.97 30.34 1p1i h ARG 515 CO -0.27 -0.46 0.61 1.37 -1.07 0.00 0.00 179.97 180.15 1p1i h LEU 516 N -0.72 0.89 -2.01 3.04 8.10 -0.88 0.13 115.31 123.86 1p1i h LEU 516 Ca -0.03 0.05 0.14 0.00 0.11 0.00 0.00 57.88 58.15 1p1i h LEU 516 Cb 0.67 -0.13 -0.02 0.00 -0.44 0.00 0.00 40.66 40.74 1p1i h LEU 516 CO -0.15 0.48 0.36 -0.07 -4.11 0.00 0.00 178.44 174.95 1p1i h LEU 517 N 0.97 0.00 -3.31 0.17 4.07 -0.88 -0.76 115.31 115.57 1p1i h LEU 517 Ca 0.48 0.00 -0.15 0.00 0.08 0.00 0.00 57.88 58.29 1p1i h LEU 517 Cb 0.46 0.00 -0.09 0.00 1.08 0.00 0.00 40.66 42.11 1p1i h LEU 517 CO -0.26 0.00 -0.11 2.30 -1.08 0.00 0.00 178.44 179.29 1p1i n ILE 518 N -4.29 2.49 -0.41 1.22 -5.35 0.30 -4.80 119.36 108.52 1p1i n ILE 518 Ca 0.09 -2.73 0.00 0.00 -0.27 0.00 0.00 62.75 59.84 1p1i n ILE 518 Cb 0.57 -0.31 0.00 0.00 -1.74 0.00 0.00 39.64 38.16 1p1i n ILE 518 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1p1i n GLY 519 N -1.09 1.44 3.86 3.28 0.00 -0.29 -4.79 105.19 107.59 1p1i n GLY 519 Ca 0.31 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.00 1p1i n GLY 519 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1p1i s LEU 520 N 0.00 4.14 0.74 0.99 2.01 -0.39 -4.93 118.68 121.24 1p1i s LEU 520 Ca 0.00 1.11 -0.06 0.00 0.01 0.00 0.00 54.13 55.19 1p1i s LEU 520 Cb 0.00 -3.82 0.10 0.00 0.01 0.00 0.00 46.19 42.48 1p1i s LEU 520 CO 0.00 -0.11 1.04 -2.16 1.01 0.00 0.00 176.35 176.13 1p1i s PRO 521 N -2.78 1.85 0.16 1.29 0.04 -1.26 -2.30 135.00 132.00 1p1i s PRO 521 Ca 0.49 -0.52 -0.30 0.00 0.04 0.00 0.00 61.00 60.71 1p1i s PRO 521 Cb -0.11 -2.18 -0.08 0.00 0.04 0.00 0.00 34.50 32.17 1p1i s PRO 521 CO 0.19 -1.44 1.27 -1.54 0.04 0.00 0.00 177.00 175.52 1p1i s SER 522 N -4.62 6.97 0.09 6.66 1.04 -1.26 -4.81 113.70 117.78 1p1i s SER 522 Ca 0.64 2.28 -0.36 0.00 0.48 0.00 0.00 55.95 58.99 1p1i s SER 522 Cb -0.08 -2.60 -0.17 0.00 0.10 0.00 0.00 66.02 63.26 1p1i s SER 522 CO 0.45 -0.49 1.13 0.00 0.98 0.00 0.00 173.24 175.32 1p1i n GLN 523 N 2.99 0.69 -0.02 4.02 1.13 -1.26 -4.89 117.38 120.04 1p1i n GLN 523 Ca 0.07 0.25 -0.01 0.00 -1.94 0.00 0.00 57.00 55.36 1p1i n GLN 523 Cb 0.44 -1.75 -0.04 0.00 0.11 0.00 0.00 30.24 29.00 1p1i n GLN 523 CO 0.00 0.00 0.00 0.27 -1.44 0.00 0.00 177.06 175.89 1p1i n ASN 524 N 2.01 3.68 -0.03 1.08 0.23 -1.26 -5.01 115.26 115.96 1p1i n ASN 524 Ca 0.18 0.00 -0.00 0.00 -0.53 0.00 0.00 54.58 54.22 1p1i n ASN 524 Cb 0.18 0.80 -0.00 0.00 -2.08 0.00 0.00 39.78 38.68 1p1i n ASN 524 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1p1i n GLU 525 N -2.06 -1.17 0.17 -3.83 -0.58 -1.26 -4.86 120.64 107.04 1p1i n GLU 525 Ca -0.07 0.32 0.13 0.00 -0.42 0.00 0.00 57.16 57.13 1p1i n GLU 525 Cb 0.53 -4.21 0.47 0.00 -0.57 0.00 0.00 31.44 27.67 1p1i n GLU 525 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1p1i h LEU 526 N 0.00 0.00 -3.17 -4.62 3.38 -2.00 -3.47 115.31 105.43 1p1i h LEU 526 Ca -0.01 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.67 1p1i h LEU 526 Cb 0.60 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.31 1p1i h LEU 526 CO 0.01 0.00 -0.47 0.54 0.09 0.00 0.00 178.44 178.61 1p1i n ARG 527 N -2.55 -0.76 0.10 1.13 1.74 -1.26 -4.74 116.66 110.32 1p1i n ARG 527 Ca 0.03 -0.16 0.09 0.00 -0.77 0.00 0.00 57.85 57.04 1p1i n ARG 527 Cb 0.34 -0.97 0.42 0.00 -1.02 0.00 0.00 32.46 31.23 1p1i n ARG 527 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1p1i n PHE 528 N -2.83 0.54 1.37 -1.55 0.99 -1.26 -2.04 117.46 112.69 1p1i n PHE 528 Ca -0.08 0.23 0.07 0.00 -0.00 0.00 0.00 57.45 57.67 1p1i n PHE 528 Cb 0.28 -0.87 0.27 0.00 -1.00 0.00 0.00 39.48 38.16 1p1i n PHE 528 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.76 175.91 1p1i n GLU 529 N -2.01 1.51 0.00 -1.08 0.00 -1.26 -2.23 120.64 115.56 1p1i n GLU 529 Ca 0.01 -0.78 0.00 0.00 0.00 0.00 0.00 57.16 56.39 1p1i n GLU 529 Cb 0.15 -1.27 0.00 0.00 0.00 0.00 0.00 31.44 30.32 1p1i n GLU 529 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1p1i n GLU 530 N 0.06 0.00 0.15 3.44 2.13 -0.92 -4.77 120.64 120.73 1p1i n GLU 530 Ca 0.12 0.00 0.03 0.00 0.66 0.00 0.00 57.16 57.97 1p1i n GLU 530 Cb 0.22 -0.72 0.14 0.00 0.27 0.00 0.00 31.44 31.35 1p1i n GLU 530 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1p1i h ARG 531 N 0.00 0.00 -6.21 5.31 3.08 -1.54 -3.44 114.38 111.58 1p1i h ARG 531 Ca 0.00 0.00 -0.63 0.00 0.07 0.00 0.00 59.98 59.42 1p1i h ARG 531 Cb 0.56 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 30.52 1p1i h ARG 531 CO 0.00 0.49 -0.60 -0.51 -1.07 0.00 0.00 179.97 178.28 1p1i s LEU 532 N -6.73 3.75 0.00 3.04 1.02 -0.95 -5.06 118.68 113.76 1p1i s LEU 532 Ca 0.02 -0.06 0.00 0.00 0.02 0.00 0.00 54.13 54.11 1p1i s LEU 532 Cb 0.09 -2.42 0.00 0.00 0.02 0.00 0.00 46.19 43.88 1p1i s LEU 532 CO 0.73 0.15 0.08 0.18 0.02 0.00 0.00 176.35 177.51