#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3juy n VAL 2 N 0.00 0.57 -3.82 -0.39 0.31 -1.26 -4.44 118.33 109.30 3juy n VAL 2 Ca 0.00 -0.19 -0.13 0.00 -0.01 0.00 0.00 64.34 64.00 3juy n VAL 2 Cb 0.00 -2.13 -0.14 0.00 -0.91 0.00 0.00 33.84 30.65 3juy n VAL 2 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 3juy s GLN 3 N 4.81 0.02 -0.21 5.55 0.74 -0.84 -5.04 119.66 124.69 3juy s GLN 3 Ca 0.94 0.12 0.02 0.00 0.05 0.00 0.00 55.36 56.49 3juy s GLN 3 Cb -0.56 -0.08 0.04 0.00 1.10 0.00 0.00 33.01 33.51 3juy s GLN 3 CO 0.45 -0.07 -0.14 -0.51 -0.55 0.00 0.00 175.29 174.47 3juy s LEU 4 N 0.46 2.61 -0.22 3.68 1.43 -1.26 -1.80 118.68 123.58 3juy s LEU 4 Ca -0.04 -0.97 -0.06 0.00 -1.03 0.00 0.00 54.13 52.04 3juy s LEU 4 Cb -0.05 -1.43 -0.02 0.00 0.03 0.00 0.00 46.19 44.71 3juy s LEU 4 CO -0.01 -0.11 0.02 -0.69 0.23 0.00 0.00 176.35 175.79 3juy s VAL 5 N 1.26 4.04 0.34 -1.59 1.01 0.61 -4.42 120.40 121.65 3juy s VAL 5 Ca -0.02 -0.28 0.06 0.00 0.00 0.00 0.00 61.98 61.75 3juy s VAL 5 Cb -0.16 -2.85 -0.01 0.00 0.00 0.00 0.00 36.38 33.36 3juy s VAL 5 CO -0.09 0.40 0.49 -1.10 0.00 0.00 0.00 175.10 174.80 3juy s GLN 6 N 1.21 3.14 1.25 2.72 -0.21 -1.26 -0.21 119.66 126.29 3juy s GLN 6 Ca 0.04 -0.93 -0.21 0.00 0.02 0.00 0.00 55.36 54.27 3juy s GLN 6 Cb -0.14 -2.80 0.31 0.00 1.00 0.00 0.00 33.01 31.38 3juy s GLN 6 CO 0.02 0.05 1.10 -1.54 -2.12 0.00 0.00 175.29 172.80 3juy s SER 7 N -4.17 0.48 0.62 5.90 1.04 -0.84 -4.97 113.70 111.76 3juy s SER 7 Ca 0.45 0.53 -0.00 0.00 0.48 0.00 0.00 55.95 57.40 3juy s SER 7 Cb -0.10 -0.68 0.06 0.00 0.10 0.00 0.00 66.02 65.41 3juy s SER 7 CO 0.32 -4.38 0.87 -0.83 0.98 0.00 0.00 173.24 170.19 3juy s GLY 8 N -3.96 1.79 0.79 7.32 0.00 -1.26 -4.71 107.32 107.29 3juy s GLY 8 Ca 0.72 -1.39 -0.14 0.00 0.00 0.00 0.00 44.72 43.91 3juy s GLY 8 CO 0.56 -1.01 1.13 0.00 0.00 0.00 0.00 173.10 173.79 3juy n ALA 9 N -2.57 -0.08 -3.09 3.20 0.00 -1.26 -4.76 120.51 111.95 3juy n ALA 9 Ca 0.10 -0.29 -0.11 0.00 0.00 0.00 0.00 53.44 53.14 3juy n ALA 9 Cb 0.60 -2.21 -0.09 0.00 0.00 0.00 0.00 19.45 17.74 3juy n ALA 9 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3juy s GLU 10 N -3.89 0.54 -0.08 0.00 2.02 -0.54 -4.99 118.70 111.75 3juy s GLU 10 Ca 0.73 -0.41 0.05 0.00 0.02 0.00 0.00 54.97 55.36 3juy s GLU 10 Cb -0.31 0.22 -0.01 0.00 0.10 0.00 0.00 34.13 34.14 3juy s GLU 10 CO 0.51 -0.13 -0.23 0.08 0.02 0.00 0.00 175.26 175.50 3juy s VAL 11 N -1.53 2.21 0.03 2.63 1.01 -1.26 -1.15 120.40 122.34 3juy s VAL 11 Ca -0.13 -0.99 0.04 0.00 0.00 0.00 0.00 61.98 60.90 3juy s VAL 11 Cb -0.06 -1.83 -0.02 0.00 0.00 0.00 0.00 36.38 34.46 3juy s VAL 11 CO 0.01 0.56 -0.13 -0.54 0.00 0.00 0.00 175.10 175.00 3juy s LYS 12 N 0.06 0.90 0.60 2.72 -0.14 -0.07 -4.97 119.74 118.83 3juy s LYS 12 Ca -0.10 -0.71 -0.18 0.00 -1.36 0.00 0.00 55.97 53.62 3juy s LYS 12 Cb -0.15 -0.89 -0.03 0.00 -1.68 0.00 0.00 37.83 35.07 3juy s LYS 12 CO 0.06 0.22 1.20 0.15 -0.76 0.00 0.00 175.35 176.21 3juy s LYS 13 N -1.04 2.96 0.40 1.68 -0.14 -1.26 -1.59 119.74 120.75 3juy s LYS 13 Ca 0.01 1.78 -0.27 0.00 -1.36 0.00 0.00 55.97 56.13 3juy s LYS 13 Cb -0.07 -1.93 -0.10 0.00 -1.68 0.00 0.00 37.83 34.05 3juy s LYS 13 CO 0.01 -1.20 1.41 -2.14 -0.76 0.00 0.00 175.35 172.67 3juy s PRO 14 N -3.39 4.00 0.00 -1.68 0.02 -1.26 -2.70 135.00 129.99 3juy s PRO 14 Ca 0.76 2.40 0.00 0.00 0.02 0.00 0.00 61.00 64.19 3juy s PRO 14 Cb -0.29 -2.86 0.00 0.00 0.02 0.00 0.00 34.50 31.37 3juy s PRO 14 CO 0.33 -0.56 0.00 0.41 -0.33 0.00 0.00 177.00 176.86 3juy n GLY 15 N 0.58 3.28 3.53 0.52 0.00 -0.18 -4.92 105.19 108.00 3juy n GLY 15 Ca 0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 3juy n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3juy n ALA 16 N -1.23 -2.32 -2.53 4.61 0.00 -1.10 -3.95 120.51 113.99 3juy n ALA 16 Ca 0.00 -1.61 -0.24 0.00 0.00 0.00 0.00 53.44 51.59 3juy n ALA 16 Cb 0.00 -0.10 -0.08 0.00 0.00 0.00 0.00 19.45 19.28 3juy n ALA 16 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3juy s SER 17 N -5.02 4.41 -0.02 0.00 0.01 -1.26 -1.81 113.70 110.01 3juy s SER 17 Ca 0.70 -0.89 -0.01 0.00 1.31 0.00 0.00 55.95 57.07 3juy s SER 17 Cb -0.04 -0.63 0.01 0.00 0.21 0.00 0.00 66.02 65.57 3juy s SER 17 CO 0.51 -0.26 0.04 0.54 0.41 0.00 0.00 173.24 174.48 3juy s VAL 18 N -2.47 -0.02 -0.17 3.43 0.11 0.33 -4.99 120.40 116.62 3juy s VAL 18 Ca 0.36 0.08 0.01 0.00 -2.93 0.00 0.00 61.98 59.50 3juy s VAL 18 Cb -0.01 -0.08 0.01 0.00 -1.53 0.00 0.00 36.38 34.77 3juy s VAL 18 CO 0.21 0.03 -0.18 -0.75 -3.33 0.00 0.00 175.10 171.08 3juy s LYS 19 N 0.43 3.09 -0.10 1.54 2.20 -1.26 -0.92 119.74 124.72 3juy s LYS 19 Ca -0.03 -0.80 -0.01 0.00 -0.36 0.00 0.00 55.97 54.77 3juy s LYS 19 Cb -0.05 -2.59 -0.03 0.00 -1.51 0.00 0.00 37.83 33.65 3juy s LYS 19 CO -0.01 -0.10 -0.05 0.08 -0.36 0.00 0.00 175.35 174.91 3juy s VAL 20 N 1.06 3.81 0.12 4.02 1.01 0.74 -4.97 120.40 126.18 3juy s VAL 20 Ca -0.01 -0.42 0.07 0.00 0.00 0.00 0.00 61.98 61.62 3juy s VAL 20 Cb -0.14 -2.60 -0.04 0.00 0.00 0.00 0.00 36.38 33.60 3juy s VAL 20 CO -0.06 0.56 -0.06 -0.94 0.00 0.00 0.00 175.10 174.60 3juy s SER 21 N -0.39 4.55 -0.19 3.32 1.04 -1.26 -0.93 113.70 119.83 3juy s SER 21 Ca 0.06 -0.38 -0.05 0.00 0.48 0.00 0.00 55.95 56.07 3juy s SER 21 Cb -0.12 -0.91 0.07 0.00 0.10 0.00 0.00 66.02 65.15 3juy s SER 21 CO 0.02 0.15 0.09 0.00 0.98 0.00 0.00 173.24 174.49 3juy s GLN 23 N 2.11 4.01 0.33 0.00 0.74 0.71 -1.15 119.66 126.40 3juy s GLN 23 Ca 0.03 -0.31 -0.03 0.00 0.05 0.00 0.00 55.36 55.10 3juy s GLN 23 Cb -0.16 -3.36 -0.04 0.00 1.10 0.00 0.00 33.01 30.55 3juy s GLN 23 CO -0.14 0.17 0.57 0.00 -0.55 0.00 0.00 175.29 175.35 3juy s ALA 24 N 0.69 3.63 0.04 1.58 0.00 0.12 -0.28 121.76 127.54 3juy s ALA 24 Ca 0.05 -0.68 -0.27 0.00 0.00 0.00 0.00 51.96 51.07 3juy s ALA 24 Cb -0.13 -2.26 0.08 0.00 0.00 0.00 0.00 23.12 20.81 3juy s ALA 24 CO 0.01 0.09 0.72 -1.54 0.00 0.00 0.00 175.76 175.05 3juy s SER 25 N -3.56 -0.52 0.00 0.00 1.04 -0.75 -4.84 113.70 105.07 3juy s SER 25 Ca 0.43 0.20 0.00 0.00 0.48 0.00 0.00 55.95 57.06 3juy s SER 25 Cb -0.10 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.52 3juy s SER 25 CO 0.34 -0.74 0.00 0.61 0.98 0.00 0.00 173.24 174.42 3juy n GLY 26 N 0.06 0.79 3.70 7.32 0.00 -1.26 -1.98 105.19 113.81 3juy n GLY 26 Ca -0.15 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.77 3juy n GLY 26 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3juy s TYR 27 N -2.96 0.36 -0.62 1.61 -0.85 -1.26 -4.23 117.35 109.40 3juy s TYR 27 Ca 0.00 -0.85 -0.24 0.00 -0.52 0.00 0.00 57.07 55.47 3juy s TYR 27 Cb 0.00 0.50 0.05 0.00 0.38 0.00 0.00 41.96 42.89 3juy s TYR 27 CO 0.00 -1.34 0.98 0.50 -1.52 0.00 0.00 175.55 174.17 3juy s ARG 28 N -2.94 3.21 0.18 -3.49 6.06 -1.26 -4.94 118.95 115.78 3juy s ARG 28 Ca 0.20 -0.53 -0.13 0.00 -2.50 0.00 0.00 55.73 52.77 3juy s ARG 28 Cb -0.03 -4.15 0.18 0.00 0.06 0.00 0.00 34.95 31.01 3juy s ARG 28 CO 0.13 -1.70 1.72 0.35 -2.50 0.00 0.00 175.30 173.30 3juy h PHE 29 N 9.50 0.15 0.00 5.12 3.57 -1.96 -2.13 116.94 131.19 3juy h PHE 29 Ca -0.28 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.25 3juy h PHE 29 Cb 1.07 0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.82 3juy h PHE 29 CO 0.96 -0.00 0.00 -1.13 -2.23 0.00 0.00 178.31 175.90 3juy n SER 30 N -5.11 0.00 -1.05 0.41 3.41 -1.26 -3.13 113.62 106.89 3juy n SER 30 Ca 0.05 -0.46 0.11 0.00 -0.26 0.00 0.00 58.87 58.30 3juy n SER 30 Cb 0.23 -0.13 0.27 0.00 -0.26 0.00 0.00 64.21 64.32 3juy n SER 30 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3juy n HIS 31 N -1.13 0.62 -3.71 7.33 8.25 -0.80 -3.26 115.22 122.52 3juy n HIS 31 Ca 0.16 -0.31 -0.22 0.00 -0.26 0.00 0.00 57.72 57.09 3juy n HIS 31 Cb 0.13 0.00 -0.18 0.00 1.12 0.00 0.00 29.99 31.07 3juy n HIS 31 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3juy s PHE 32 N -1.38 0.33 0.64 4.41 0.08 -1.18 -5.06 117.98 115.81 3juy s PHE 32 Ca 0.39 0.04 -0.18 0.00 0.12 0.00 0.00 56.93 57.30 3juy s PHE 32 Cb 0.21 -0.63 -0.02 0.00 -0.57 0.00 0.00 43.02 42.01 3juy s PHE 32 CO 0.29 -0.27 1.16 2.41 -0.10 0.00 0.00 175.22 178.71 3juy n THR 33 N 5.23 4.47 -4.78 0.64 -1.04 -1.26 -4.56 114.28 112.99 3juy n THR 33 Ca -0.05 -0.50 -0.29 0.00 -2.04 0.00 0.00 64.05 61.18 3juy n THR 33 Cb 0.50 -1.35 -0.17 0.00 -1.82 0.00 0.00 70.33 67.49 3juy n THR 33 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3juy s VAL 34 N -1.45 1.60 0.23 12.58 1.01 -0.63 -1.25 120.40 132.48 3juy s VAL 34 Ca 0.80 -0.73 -0.00 0.00 0.00 0.00 0.00 61.98 62.05 3juy s VAL 34 Cb -0.39 -1.42 -0.04 0.00 0.00 0.00 0.00 36.38 34.53 3juy s VAL 34 CO 0.43 0.46 0.42 -1.00 0.00 0.00 0.00 175.10 175.40 3juy s HIS 35 N 0.64 3.48 -0.12 5.22 3.76 0.25 -1.16 115.29 127.36 3juy s HIS 35 Ca -0.14 0.33 0.02 0.00 -0.15 0.00 0.00 55.06 55.12 3juy s HIS 35 Cb -0.16 -1.85 0.01 0.00 1.11 0.00 0.00 32.58 31.69 3juy s HIS 35 CO 0.04 0.34 -0.19 -1.58 -0.85 0.00 0.00 174.74 172.50 3juy s TRP 36 N -1.95 2.37 0.05 1.40 0.52 0.11 -1.56 118.94 119.88 3juy s TRP 36 Ca 0.39 -1.14 0.05 0.00 0.02 0.00 0.00 56.10 55.41 3juy s TRP 36 Cb -0.11 -1.64 -0.02 0.00 -1.15 0.00 0.00 33.47 30.55 3juy s TRP 36 CO 0.30 -0.53 -0.13 0.08 0.02 0.00 0.00 176.95 176.68 3juy s VAL 37 N 0.82 1.04 0.18 4.03 1.01 0.33 0.41 120.40 128.22 3juy s VAL 37 Ca -0.08 -1.10 0.03 0.00 0.00 0.00 0.00 61.98 60.83 3juy s VAL 37 Cb -0.16 -0.97 -0.05 0.00 0.00 0.00 0.00 36.38 35.20 3juy s VAL 37 CO -0.00 -0.11 -0.03 0.00 0.00 0.00 0.00 175.10 174.95 3juy s ARG 38 N -1.38 1.15 -0.23 2.72 1.70 -0.12 0.46 118.95 123.26 3juy s ARG 38 Ca -0.01 -1.54 -0.03 0.00 -0.47 0.00 0.00 55.73 53.68 3juy s ARG 38 Cb -0.09 -0.47 0.11 0.00 -0.57 0.00 0.00 34.95 33.94 3juy s ARG 38 CO 0.02 -0.05 0.29 -1.14 -1.08 0.00 0.00 175.30 173.33 3juy s GLN 39 N -3.85 0.27 0.40 3.89 0.74 -0.45 -0.43 119.66 120.24 3juy s GLN 39 Ca 0.22 0.33 -0.20 0.00 0.05 0.00 0.00 55.36 55.77 3juy s GLN 39 Cb 0.05 -0.86 -0.10 0.00 1.10 0.00 0.00 33.01 33.19 3juy s GLN 39 CO 0.04 -0.67 0.90 0.00 -0.55 0.00 0.00 175.29 175.01 3juy s ALA 40 N 2.42 3.12 -0.23 1.58 0.00 -1.26 -1.59 121.76 125.80 3juy s ALA 40 Ca 0.10 0.31 -0.36 0.00 0.00 0.00 0.00 51.96 52.01 3juy s ALA 40 Cb -0.16 -3.06 -0.12 0.00 0.00 0.00 0.00 23.12 19.79 3juy s ALA 40 CO -0.15 0.18 1.97 -2.30 0.00 0.00 0.00 175.76 175.46 3juy n PRO 41 N -0.53 1.57 -2.46 0.00 -0.02 -1.26 -1.44 135.00 130.86 3juy n PRO 41 Ca 0.06 0.53 -0.05 0.00 -2.02 0.00 0.00 63.50 62.02 3juy n PRO 41 Cb 0.54 -2.49 0.03 0.00 -0.02 0.00 0.00 33.50 31.55 3juy n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3juy n GLY 42 N 5.12 0.22 3.36 -1.23 0.00 -1.26 -5.07 105.19 106.34 3juy n GLY 42 Ca 0.30 -0.31 -0.09 0.00 0.00 0.00 0.00 46.02 45.91 3juy n GLY 42 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3juy s GLN 43 N -4.49 1.17 0.50 1.61 -1.52 -0.52 -5.15 119.66 111.27 3juy s GLN 43 Ca 0.01 -1.09 -0.18 0.00 -1.95 0.00 0.00 55.36 52.16 3juy s GLN 43 Cb -0.01 0.40 -0.08 0.00 -0.22 0.00 0.00 33.01 33.10 3juy s GLN 43 CO 0.22 -0.44 0.99 1.03 -0.25 0.00 0.00 175.29 176.84 3juy s ARG 44 N -3.94 3.91 0.30 2.91 0.52 -1.26 -4.66 118.95 116.73 3juy s ARG 44 Ca 0.14 1.09 -0.28 0.00 -0.52 0.00 0.00 55.73 56.16 3juy s ARG 44 Cb 0.03 -2.13 -0.14 0.00 0.52 0.00 0.00 34.95 33.23 3juy s ARG 44 CO -0.02 -0.31 0.98 1.19 0.02 0.00 0.00 175.30 177.16 3juy n PHE 45 N -1.32 1.14 -3.78 -0.53 3.01 -1.26 -4.61 117.46 110.11 3juy n PHE 45 Ca 0.07 0.70 -0.25 0.00 1.01 0.00 0.00 57.45 58.99 3juy n PHE 45 Cb 0.54 -2.23 -0.17 0.00 -0.01 0.00 0.00 39.48 37.61 3juy n PHE 45 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 3juy s GLU 46 N -1.57 0.74 0.23 -1.08 2.12 0.43 -4.42 118.70 115.15 3juy s GLU 46 Ca 0.59 -0.12 -0.30 0.00 0.36 0.00 0.00 54.97 55.51 3juy s GLU 46 Cb -0.70 -1.43 -0.09 0.00 0.26 0.00 0.00 34.13 32.17 3juy s GLU 46 CO 0.60 -0.41 1.29 -0.46 -0.54 0.00 0.00 175.26 175.73 3juy s TRP 47 N 1.90 3.25 -0.16 5.30 -0.00 -1.26 -0.95 118.94 127.03 3juy s TRP 47 Ca 0.03 1.30 0.09 0.00 -0.00 0.00 0.00 56.10 57.52 3juy s TRP 47 Cb -0.14 -3.58 -0.16 0.00 -0.00 0.00 0.00 33.47 29.59 3juy s TRP 47 CO -0.06 -1.74 -0.02 -1.33 -0.00 0.00 0.00 176.95 173.79 3juy n MET 48 N 2.16 1.23 0.00 5.86 2.81 0.16 -4.74 117.12 124.61 3juy n MET 48 Ca 0.04 0.03 0.00 0.00 -1.81 0.00 0.00 57.70 55.96 3juy n MET 48 Cb 0.43 -1.38 0.00 0.00 -0.71 0.00 0.00 33.22 31.56 3juy n MET 48 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3juy n GLY 49 N 2.27 1.62 3.19 3.03 0.00 -1.17 -1.19 105.19 112.94 3juy n GLY 49 Ca -0.27 -1.25 -0.12 0.00 0.00 0.00 0.00 46.02 44.38 3juy n GLY 49 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3juy s TRP 50 N -1.97 1.02 -0.04 1.61 1.48 -0.52 0.08 118.94 120.60 3juy s TRP 50 Ca 0.00 -0.83 0.03 0.00 -1.06 0.00 0.00 56.10 54.24 3juy s TRP 50 Cb 0.00 -0.56 0.00 0.00 -1.16 0.00 0.00 33.47 31.75 3juy s TRP 50 CO 0.00 -0.06 -0.13 -1.50 -4.06 0.00 0.00 176.95 171.20 3juy s ILE 51 N -3.38 1.09 -0.44 0.66 2.07 -0.31 -1.11 121.20 119.78 3juy s ILE 51 Ca 0.12 -0.53 -0.21 0.00 -1.41 0.00 0.00 60.65 58.63 3juy s ILE 51 Cb 0.03 -0.96 0.02 0.00 0.13 0.00 0.00 42.46 41.69 3juy s ILE 51 CO -0.03 0.33 0.65 0.21 -1.91 0.00 0.00 174.94 174.19 3juy s ASN 52 N 0.16 6.33 0.55 4.50 3.84 0.10 -1.60 114.94 128.81 3juy s ASN 52 Ca -0.04 -0.32 0.35 0.00 0.21 0.00 0.00 52.86 53.06 3juy s ASN 52 Cb -0.10 -2.32 1.51 0.00 -0.55 0.00 0.00 41.25 39.78 3juy s ASN 52 CO 0.01 -0.79 2.02 1.55 -2.79 0.00 0.00 177.10 177.11 3juy h PRO 53 N 8.88 0.00 -0.11 0.43 0.14 -1.81 -0.66 132.00 138.86 3juy h PRO 53 Ca -0.25 0.00 -0.12 0.00 0.14 0.00 0.00 66.00 65.76 3juy h PRO 53 Cb 1.10 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.24 3juy h PRO 53 CO 0.90 0.00 -0.41 -0.92 0.14 0.00 0.00 178.00 177.71 3juy h TYR 54 N 0.00 0.62 0.00 1.56 3.20 -1.90 -3.37 116.97 117.08 3juy h TYR 54 Ca 0.00 -0.26 0.00 0.00 3.14 0.00 0.00 58.73 61.61 3juy h TYR 54 Cb 0.41 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.58 3juy h TYR 54 CO 0.00 1.01 0.00 0.27 -1.64 0.00 0.00 178.16 177.80 3juy n ASN 55 N -4.31 1.23 0.00 -2.11 0.23 -1.15 -5.01 115.26 104.14 3juy n ASN 55 Ca -0.08 -1.41 0.00 0.00 -0.53 0.00 0.00 54.58 52.57 3juy n ASN 55 Cb 0.54 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.24 3juy n ASN 55 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3juy n GLY 56 N -0.20 1.61 3.77 4.83 0.00 -0.26 -5.01 105.19 109.92 3juy n GLY 56 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 3juy n GLY 56 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3juy s ASN 57 N -3.25 6.04 0.05 1.61 0.01 -1.24 -4.72 114.94 113.43 3juy s ASN 57 Ca 0.00 2.86 0.04 0.00 -0.71 0.00 0.00 52.86 55.05 3juy s ASN 57 Cb 0.00 -2.65 -0.02 0.00 0.41 0.00 0.00 41.25 38.99 3juy s ASN 57 CO 0.00 -1.06 -0.13 -0.54 -1.51 0.00 0.00 177.10 173.86 3juy s LYS 58 N -2.36 0.80 -0.06 -0.60 1.02 -1.26 0.01 119.74 117.29 3juy s LYS 58 Ca 0.59 -0.79 0.04 0.00 0.02 0.00 0.00 55.97 55.83 3juy s LYS 58 Cb -0.42 -0.77 0.00 0.00 -0.52 0.00 0.00 37.83 36.12 3juy s LYS 58 CO 0.55 0.18 -0.18 -2.00 -0.92 0.00 0.00 175.35 172.98 3juy s GLU 59 N -1.36 2.11 -0.05 1.68 2.56 -0.27 -4.97 118.70 118.39 3juy s GLU 59 Ca -0.02 -0.65 0.06 0.00 0.00 0.00 0.00 54.97 54.36 3juy s GLU 59 Cb -0.09 -1.74 -0.02 0.00 2.00 0.00 0.00 34.13 34.29 3juy s GLU 59 CO 0.01 0.19 -0.22 -0.06 -0.56 0.00 0.00 175.26 174.62 3juy s PHE 60 N 0.23 2.49 0.53 5.30 0.40 -1.26 -1.44 117.98 124.23 3juy s PHE 60 Ca -0.10 -0.51 -0.21 0.00 -0.60 0.00 0.00 56.93 55.51 3juy s PHE 60 Cb -0.14 -1.59 -0.05 0.00 0.51 0.00 0.00 43.02 41.74 3juy s PHE 60 CO 0.04 -0.08 1.24 0.45 0.70 0.00 0.00 175.22 177.57 3juy s SER 61 N -0.38 5.58 0.48 1.36 0.15 -0.34 -4.81 113.70 115.75 3juy s SER 61 Ca 0.03 2.47 0.17 0.00 0.70 0.00 0.00 55.95 59.32 3juy s SER 61 Cb -0.12 -2.61 1.17 0.00 -1.71 0.00 0.00 66.02 62.75 3juy s SER 61 CO 0.02 -1.33 2.06 0.00 1.20 0.00 0.00 173.24 175.19 3juy h ALA 62 N 1.49 1.74 0.00 5.45 0.00 -1.94 -0.73 119.26 125.27 3juy h ALA 62 Ca -0.50 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.31 3juy h ALA 62 Cb 1.28 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3juy h ALA 62 CO 0.58 0.14 0.00 -0.22 0.00 0.00 0.00 179.25 179.75 3juy h LYS 63 N 0.00 0.00 0.00 0.00 3.64 -1.95 -3.34 116.57 114.93 3juy h LYS 63 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3juy h LYS 63 Cb 0.21 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 3juy h LYS 63 CO 0.01 0.00 -0.83 1.19 -2.27 0.00 0.00 179.45 177.55 3juy n PHE 64 N -2.93 0.00 -0.22 1.91 3.01 -0.61 -4.75 117.46 113.87 3juy n PHE 64 Ca 0.00 0.00 0.15 0.00 1.01 0.00 0.00 57.45 58.61 3juy n PHE 64 Cb 0.25 0.00 0.28 0.00 -0.01 0.00 0.00 39.48 40.00 3juy n PHE 64 CO 0.00 0.00 0.00 0.94 1.01 0.00 0.00 176.76 178.71 3juy n GLN 65 N -1.30 -0.05 -0.15 -1.08 0.00 -0.38 -0.38 117.38 114.04 3juy n GLN 65 Ca 0.00 0.94 -0.10 0.00 -0.00 0.00 0.00 57.00 57.84 3juy n GLN 65 Cb 0.04 -1.59 -0.00 0.00 0.00 0.00 0.00 30.24 28.69 3juy n GLN 65 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.06 177.28 3juy h ASP 66 N 0.00 0.72 -0.17 1.69 -0.00 -1.85 -3.36 116.42 113.46 3juy h ASP 66 Ca 0.47 -0.27 0.00 0.00 -0.00 0.00 0.00 57.03 57.23 3juy h ASP 66 Cb 1.13 -0.19 0.00 0.00 -0.00 0.00 0.00 39.33 40.27 3juy h ASP 66 CO -0.56 0.82 0.00 0.54 -0.00 0.00 0.00 179.24 180.04 3juy n ARG 67 N -4.45 1.61 -4.27 0.28 1.74 0.49 -5.00 116.66 107.06 3juy n ARG 67 Ca 0.00 -1.63 -0.18 0.00 -0.77 0.00 0.00 57.85 55.28 3juy n ARG 67 Cb 0.26 -1.29 -0.14 0.00 -1.02 0.00 0.00 32.46 30.28 3juy n ARG 67 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3juy s VAL 68 N -1.09 0.77 -0.02 1.55 0.11 -1.00 -1.17 120.40 119.54 3juy s VAL 68 Ca 0.21 -0.71 0.02 0.00 -2.93 0.00 0.00 61.98 58.57 3juy s VAL 68 Cb 0.13 -0.70 0.01 0.00 -1.53 0.00 0.00 36.38 34.28 3juy s VAL 68 CO 0.18 0.01 -0.06 0.28 -3.33 0.00 0.00 175.10 172.17 3juy s THR 69 N -0.65 0.58 -0.13 5.04 -1.32 -0.49 -4.85 115.64 113.81 3juy s THR 69 Ca -0.00 -0.24 -0.05 0.00 -1.21 0.00 0.00 61.69 60.19 3juy s THR 69 Cb -0.06 -0.54 -0.04 0.00 -1.51 0.00 0.00 72.50 70.35 3juy s THR 69 CO 0.00 0.20 0.06 -0.36 -2.21 0.00 0.00 174.62 172.31 3juy s PHE 70 N 0.33 3.30 0.07 9.09 0.40 -1.26 -1.73 117.98 128.17 3juy s PHE 70 Ca -0.04 0.22 0.01 0.00 -0.60 0.00 0.00 56.93 56.51 3juy s PHE 70 Cb -0.09 -1.94 -0.04 0.00 0.51 0.00 0.00 43.02 41.47 3juy s PHE 70 CO 0.00 0.41 -0.05 0.95 0.70 0.00 0.00 175.22 177.23 3juy s THR 71 N -0.43 0.44 -0.03 0.64 -4.23 -0.43 -4.98 115.64 106.62 3juy s THR 71 Ca 0.09 -1.70 -0.00 0.00 -1.18 0.00 0.00 61.69 58.90 3juy s THR 71 Cb -0.12 -1.37 0.03 0.00 1.34 0.00 0.00 72.50 72.37 3juy s THR 71 CO 0.02 -0.83 0.01 0.00 -0.54 0.00 0.00 174.62 173.27 3juy s ALA 72 N -3.30 0.34 -0.42 3.99 0.00 -1.26 0.07 121.76 121.19 3juy s ALA 72 Ca 0.05 0.14 -0.07 0.00 0.00 0.00 0.00 51.96 52.08 3juy s ALA 72 Cb 0.03 -0.40 0.09 0.00 0.00 0.00 0.00 23.12 22.85 3juy s ALA 72 CO -0.06 -0.16 0.24 0.34 0.00 0.00 0.00 175.76 176.12 3juy s ASP 73 N 1.25 5.50 0.42 0.00 -1.08 0.47 -4.97 116.67 118.26 3juy s ASP 73 Ca -0.07 -1.70 0.29 0.00 -0.52 0.00 0.00 52.55 50.56 3juy s ASP 73 Cb -0.13 -1.93 1.22 0.00 -1.46 0.00 0.00 42.92 40.62 3juy s ASP 73 CO -0.02 -0.55 1.87 0.71 0.52 0.00 0.00 175.17 177.69 3juy h THR 74 N 6.19 0.00 0.00 1.71 1.35 -1.94 -1.95 112.91 118.27 3juy h THR 74 Ca -0.20 -0.35 -0.11 0.00 -0.55 0.00 0.00 66.41 65.19 3juy h THR 74 Cb 1.07 1.22 -0.02 0.00 -1.73 0.00 0.00 68.15 68.69 3juy h THR 74 CO 0.75 0.00 -0.78 0.77 -0.25 0.00 0.00 175.52 176.01 3juy h SER 75 N 0.00 0.00 -0.07 5.36 4.64 -1.95 -3.29 113.55 118.24 3juy h SER 75 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3juy h SER 75 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 3juy h SER 75 CO 0.00 0.47 0.00 0.00 -0.87 0.00 0.00 176.83 176.43 3juy n ALA 76 N -2.27 2.49 -4.01 5.18 0.00 -0.83 -4.95 120.51 116.12 3juy n ALA 76 Ca -0.01 -0.63 -0.32 0.00 0.00 0.00 0.00 53.44 52.47 3juy n ALA 76 Cb 0.74 -0.94 0.01 0.00 0.00 0.00 0.00 19.45 19.26 3juy n ALA 76 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3juy n ASN 77 N 0.95 -4.19 -3.91 0.00 3.02 -0.79 -4.75 115.26 105.58 3juy n ASN 77 Ca 0.16 -0.86 -0.21 0.00 -0.03 0.00 0.00 54.58 53.64 3juy n ASN 77 Cb 0.51 -3.51 -0.16 0.00 -0.61 0.00 0.00 39.78 36.00 3juy n ASN 77 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3juy s THR 78 N -3.32 0.67 -0.06 3.41 2.01 -0.99 0.14 115.64 117.50 3juy s THR 78 Ca 0.67 -0.18 -0.04 0.00 0.31 0.00 0.00 61.69 62.44 3juy s THR 78 Cb -0.34 -0.68 -0.04 0.00 0.01 0.00 0.00 72.50 71.45 3juy s THR 78 CO 0.86 0.26 0.12 0.00 -0.69 0.00 0.00 174.62 175.18 3juy s ALA 79 N 0.99 3.77 0.11 7.40 0.00 -0.30 -0.40 121.76 133.33 3juy s ALA 79 Ca -0.10 -0.74 0.10 0.00 0.00 0.00 0.00 51.96 51.22 3juy s ALA 79 Cb -0.14 -1.81 -0.04 0.00 0.00 0.00 0.00 23.12 21.13 3juy s ALA 79 CO -0.00 0.66 -0.25 0.71 0.00 0.00 0.00 175.76 176.89 3juy s TYR 80 N -1.12 2.12 -0.04 0.00 1.51 0.11 -0.57 117.35 119.36 3juy s TYR 80 Ca 0.20 -0.39 0.01 0.00 -1.01 0.00 0.00 57.07 55.88 3juy s TYR 80 Cb -0.12 -1.16 0.02 0.00 -0.11 0.00 0.00 41.96 40.58 3juy s TYR 80 CO 0.10 0.28 -0.06 1.41 -1.11 0.00 0.00 175.55 176.16 3juy s MET 81 N -1.94 0.95 -0.12 -0.62 1.75 -0.11 -1.31 119.30 117.90 3juy s MET 81 Ca 0.11 -0.18 0.02 0.00 -1.25 0.00 0.00 55.69 54.39 3juy s MET 81 Cb -0.10 -0.90 0.01 0.00 2.84 0.00 0.00 34.83 36.69 3juy s MET 81 CO 0.05 -0.02 -0.17 -2.00 -0.65 0.00 0.00 175.02 172.23 3juy s GLU 82 N 0.71 2.40 -0.13 4.11 2.12 -0.71 -0.19 118.70 127.02 3juy s GLU 82 Ca -0.10 -0.62 -0.01 0.00 0.36 0.00 0.00 54.97 54.60 3juy s GLU 82 Cb -0.13 -2.03 -0.02 0.00 0.26 0.00 0.00 34.13 32.21 3juy s GLU 82 CO 0.01 -0.07 -0.11 -1.17 -0.54 0.00 0.00 175.26 173.38 3juy s LEU 83 N 1.00 2.88 0.39 2.70 2.96 -0.10 -1.40 118.68 127.11 3juy s LEU 83 Ca -0.05 -0.25 0.08 0.00 -0.22 0.00 0.00 54.13 53.68 3juy s LEU 83 Cb -0.15 -1.65 -0.04 0.00 0.50 0.00 0.00 46.19 44.85 3juy s LEU 83 CO -0.03 0.19 0.25 0.00 -1.32 0.00 0.00 176.35 175.45 3juy s ARG 84 N 0.19 2.41 -1.20 1.98 1.70 -0.32 -0.51 118.95 123.19 3juy s ARG 84 Ca -0.06 -1.61 -0.17 0.00 -0.47 0.00 0.00 55.73 53.42 3juy s ARG 84 Cb -0.15 -2.21 -0.00 0.00 -0.57 0.00 0.00 34.95 32.02 3juy s ARG 84 CO 0.04 -0.07 0.71 0.43 -1.08 0.00 0.00 175.30 175.33 3juy n SER 85 N -1.34 -4.05 -4.77 -2.89 7.64 -1.00 -4.88 113.62 102.34 3juy n SER 85 Ca 0.00 -1.03 -0.41 0.00 1.01 0.00 0.00 58.87 58.44 3juy n SER 85 Cb 0.62 -3.22 -0.02 0.00 -1.01 0.00 0.00 64.21 60.58 3juy n SER 85 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3juy s LEU 86 N -6.65 4.42 0.22 -3.43 1.43 -0.75 -4.69 118.68 109.23 3juy s LEU 86 Ca 0.36 2.67 0.04 0.00 -1.03 0.00 0.00 54.13 56.17 3juy s LEU 86 Cb -0.14 -3.64 -0.05 0.00 0.03 0.00 0.00 46.19 42.39 3juy s LEU 86 CO 0.87 -0.55 -0.02 0.00 0.23 0.00 0.00 176.35 176.88 3juy s ARG 87 N -1.56 1.29 0.42 1.70 1.70 -1.26 -1.01 118.95 120.23 3juy s ARG 87 Ca 0.50 -1.64 0.28 0.00 -0.47 0.00 0.00 55.73 54.41 3juy s ARG 87 Cb -0.40 -0.63 1.42 0.00 -0.57 0.00 0.00 34.95 34.77 3juy s ARG 87 CO 0.51 -0.06 1.60 0.77 -1.08 0.00 0.00 175.30 177.04 3juy h SER 88 N 2.52 0.26 -0.05 -2.89 0.02 -1.89 0.31 113.55 111.82 3juy h SER 88 Ca -0.38 0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.74 3juy h SER 88 Cb 1.22 0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.92 3juy h SER 88 CO 0.64 -0.25 0.00 0.00 -1.14 0.00 0.00 176.83 176.09 3juy n ALA 89 N -2.47 2.57 1.15 3.77 0.00 -1.26 -3.03 120.51 121.24 3juy n ALA 89 Ca 0.38 -0.23 0.12 0.00 0.00 0.00 0.00 53.44 53.72 3juy n ALA 89 Cb 1.43 -1.21 0.26 0.00 0.00 0.00 0.00 19.45 19.93 3juy n ALA 89 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3juy n ASP 90 N -0.44 1.13 -4.64 0.00 8.00 0.11 -4.85 116.55 115.86 3juy n ASP 90 Ca 0.13 -0.91 -0.42 0.00 0.71 0.00 0.00 54.79 54.30 3juy n ASP 90 Cb 0.13 0.27 -0.03 0.00 -0.02 0.00 0.00 41.12 41.47 3juy n ASP 90 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3juy s THR 91 N -2.60 3.11 -0.02 -3.53 2.01 -1.17 -4.83 115.64 108.60 3juy s THR 91 Ca 0.20 0.12 -0.28 0.00 0.31 0.00 0.00 61.69 62.05 3juy s THR 91 Cb 0.19 -3.09 0.09 0.00 0.01 0.00 0.00 72.50 69.69 3juy s THR 91 CO 0.58 -0.03 1.26 0.00 -0.69 0.00 0.00 174.62 175.74 3juy n ALA 92 N 8.50 -3.56 -2.70 7.40 0.00 -0.56 -4.25 120.51 125.34 3juy n ALA 92 Ca 0.22 -0.79 -0.36 0.00 0.00 0.00 0.00 53.44 52.50 3juy n ALA 92 Cb 0.42 0.15 -0.08 0.00 0.00 0.00 0.00 19.45 19.94 3juy n ALA 92 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3juy s VAL 93 N -2.02 5.33 -0.39 0.00 1.01 -0.62 -0.94 120.40 122.77 3juy s VAL 93 Ca 0.30 0.36 -0.12 0.00 0.00 0.00 0.00 61.98 62.52 3juy s VAL 93 Cb -0.01 -3.56 0.03 0.00 0.00 0.00 0.00 36.38 32.84 3juy s VAL 93 CO -0.01 0.37 0.23 -0.31 0.00 0.00 0.00 175.10 175.38 3juy s TYR 94 N 0.77 3.25 -0.04 5.22 1.51 -0.78 -1.33 117.35 125.96 3juy s TYR 94 Ca 0.12 -0.96 -0.06 0.00 -1.01 0.00 0.00 57.07 55.15 3juy s TYR 94 Cb -0.13 -2.54 -0.04 0.00 -0.11 0.00 0.00 41.96 39.14 3juy s TYR 94 CO 0.03 -0.67 0.21 0.71 -1.11 0.00 0.00 175.55 174.73 3juy s TYR 95 N 1.56 3.58 0.17 2.71 2.02 0.17 -2.69 117.35 124.89 3juy s TYR 95 Ca 0.02 0.52 0.07 0.00 -0.37 0.00 0.00 57.07 57.31 3juy s TYR 95 Cb -0.20 -1.95 -0.04 0.00 -0.40 0.00 0.00 41.96 39.38 3juy s TYR 95 CO 0.07 0.66 0.04 0.00 -1.57 0.00 0.00 175.55 174.75 3juy s ALA 97 N -1.76 -1.01 -0.08 0.00 0.00 -0.60 -1.60 121.76 116.71 3juy s ALA 97 Ca 0.29 0.88 -0.11 0.00 0.00 0.00 0.00 51.96 53.02 3juy s ALA 97 Cb -0.09 -0.34 -0.05 0.00 0.00 0.00 0.00 23.12 22.63 3juy s ALA 97 CO 0.20 -0.24 0.27 0.50 0.00 0.00 0.00 175.76 176.50 3juy s ARG 98 N -0.48 3.79 1.16 0.00 3.52 -0.50 0.85 118.95 127.28 3juy s ARG 98 Ca -0.06 0.12 -0.15 0.00 -0.13 0.00 0.00 55.73 55.51 3juy s ARG 98 Cb -0.03 -3.25 0.27 0.00 -1.56 0.00 0.00 34.95 30.37 3juy s ARG 98 CO 0.03 0.64 1.05 0.14 -0.81 0.00 0.00 175.30 176.35 3juy s VAL 99 N -0.75 1.83 0.54 7.11 -7.23 -0.38 -0.88 120.40 120.63 3juy s VAL 99 Ca 0.19 0.00 -0.02 0.00 -1.81 0.00 0.00 61.98 60.34 3juy s VAL 99 Cb -0.14 -2.29 0.02 0.00 0.56 0.00 0.00 36.38 34.53 3juy s VAL 99 CO 0.08 0.00 0.79 -0.83 -0.31 0.00 0.00 175.10 174.83 3juy s GLY 100 N -3.17 1.66 0.27 2.32 0.00 0.15 -4.58 107.32 103.97 3juy s GLY 100 Ca 0.68 -1.03 -0.29 0.00 0.00 0.00 0.00 44.72 44.08 3juy s GLY 100 CO 0.60 -0.78 1.01 -0.54 0.00 0.00 0.00 173.10 173.39 3juy s GLU 101 N -4.79 4.71 0.15 2.90 2.02 -1.26 -4.83 118.70 117.60 3juy s GLU 101 Ca 0.53 1.60 -0.34 0.00 0.02 0.00 0.00 54.97 56.79 3juy s GLU 101 Cb -0.10 -3.16 -0.14 0.00 0.10 0.00 0.00 34.13 30.83 3juy s GLU 101 CO 0.40 0.34 1.56 1.87 0.02 0.00 0.00 175.26 179.45 3juy n TRP 102 N 1.20 2.21 -2.68 1.61 -0.00 -1.26 -4.91 117.44 113.61 3juy n TRP 102 Ca -0.01 0.30 -0.22 0.00 -0.00 0.00 0.00 57.50 57.57 3juy n TRP 102 Cb 0.46 -2.53 0.03 0.00 -0.00 0.00 0.00 31.31 29.28 3juy n TRP 102 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 177.69 177.89 3juy s GLY 103 N 0.89 1.73 0.12 5.87 0.00 -1.26 -5.03 107.32 109.64 3juy s GLY 103 Ca 0.79 -1.17 -0.24 0.00 0.00 0.00 0.00 44.72 44.09 3juy s GLY 103 CO 0.39 -0.91 1.42 0.11 0.00 0.00 0.00 173.10 174.11 3juy h TRP 104 N 0.08 -1.48 -1.39 1.90 0.09 -2.04 -3.11 115.95 110.00 3juy h TRP 104 Ca -0.44 0.10 -0.52 0.00 0.09 0.00 0.00 58.89 58.12 3juy h TRP 104 Cb 1.28 0.74 -0.41 0.00 0.08 0.00 0.00 29.16 30.85 3juy h TRP 104 CO 0.40 -0.30 -0.87 -0.25 0.09 0.00 0.00 178.44 177.51 3juy n ASP 105 N -4.77 3.75 -4.77 0.11 8.00 -1.26 -5.09 116.55 112.53 3juy n ASP 105 Ca 0.01 -3.43 -0.41 0.00 0.71 0.00 0.00 54.79 51.68 3juy n ASP 105 Cb 0.21 -0.48 -0.02 0.00 -0.02 0.00 0.00 41.12 40.80 3juy n ASP 105 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 3juy s ASP 106 N -3.41 6.80 0.66 -2.24 1.11 -1.18 -5.04 116.67 113.36 3juy s ASP 106 Ca 0.42 2.65 -0.09 0.00 0.18 0.00 0.00 52.55 55.71 3juy s ASP 106 Cb 0.41 -2.64 0.01 0.00 1.07 0.00 0.00 42.92 41.77 3juy s ASP 106 CO -0.12 -0.52 1.02 -0.44 1.18 0.00 0.00 175.17 176.28 3juy s SER 107 N -0.42 5.57 0.48 0.27 0.01 -1.26 -4.98 113.70 113.37 3juy s SER 107 Ca 0.50 1.01 -0.22 0.00 1.31 0.00 0.00 55.95 58.54 3juy s SER 107 Cb -0.39 -1.90 -0.08 0.00 0.21 0.00 0.00 66.02 63.85 3juy s SER 107 CO 0.51 -1.20 1.04 -2.65 0.41 0.00 0.00 173.24 171.35 3juy n PRO 108 N -2.83 1.31 -0.70 12.44 -0.02 -1.26 -2.04 135.00 141.90 3juy n PRO 108 Ca 0.06 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 3juy n PRO 108 Cb 0.57 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 3juy n PRO 108 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3juy n TYR 109 N -0.85 0.00 0.26 6.00 4.01 -1.26 -4.83 117.16 120.49 3juy n TYR 109 Ca 0.10 0.00 0.17 0.00 -0.16 0.00 0.00 57.90 58.01 3juy n TYR 109 Cb 0.42 -1.00 0.91 0.00 -0.31 0.00 0.00 39.34 39.36 3juy n TYR 109 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 3juy h ASP 110 N 0.00 0.00 -0.33 7.72 3.45 -1.78 -1.28 116.42 124.19 3juy h ASP 110 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 3juy h ASP 110 Cb 0.05 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.82 3juy h ASP 110 CO 0.00 0.00 0.00 -0.46 -1.57 0.00 0.00 179.24 177.21 3juy n ASN 111 N -2.70 3.28 -1.42 6.45 6.94 -1.26 -4.64 115.26 121.91 3juy n ASN 111 Ca -0.02 -1.95 -0.08 0.00 -0.02 0.00 0.00 54.58 52.51 3juy n ASN 111 Cb 0.09 -0.21 0.06 0.00 -2.36 0.00 0.00 39.78 37.36 3juy n ASN 111 CO 0.00 0.00 0.00 -1.22 -1.03 0.00 0.00 177.26 175.01 3juy n TYR 112 N 1.34 1.02 -2.78 -2.53 4.02 -0.49 -0.68 117.16 117.07 3juy n TYR 112 Ca 0.17 -0.97 -0.27 0.00 -0.01 0.00 0.00 57.90 56.82 3juy n TYR 112 Cb 0.57 -0.49 -0.00 0.00 -0.02 0.00 0.00 39.34 39.39 3juy n TYR 112 CO 0.00 0.00 0.00 1.52 -1.01 0.00 0.00 176.86 177.37 3juy s TYR 113 N -1.10 3.55 -0.65 -0.72 1.13 -1.26 -4.70 117.35 113.60 3juy s TYR 113 Ca 0.19 0.73 -0.27 0.00 -1.41 0.00 0.00 57.07 56.31 3juy s TYR 113 Cb 0.16 -2.23 0.00 0.00 -1.10 0.00 0.00 41.96 38.79 3juy s TYR 113 CO 0.04 -0.20 1.61 -1.64 -2.51 0.00 0.00 175.55 172.84 3juy s MET 114 N -4.64 2.90 -0.08 -3.49 -1.94 -1.26 -3.59 119.30 107.19 3juy s MET 114 Ca 0.46 0.29 -0.14 0.00 -1.71 0.00 0.00 55.69 54.60 3juy s MET 114 Cb -0.10 -4.29 -0.29 0.00 2.01 0.00 0.00 34.83 32.16 3juy s MET 114 CO 0.43 -2.44 0.60 0.22 -0.01 0.00 0.00 175.02 173.82 3juy h ASP 115 N 12.78 0.48 -3.34 3.03 3.58 -1.25 -3.42 116.42 128.28 3juy h ASP 115 Ca -0.27 -0.89 -0.41 0.00 0.42 0.00 0.00 57.03 55.87 3juy h ASP 115 Cb 1.11 -0.16 -0.37 0.00 1.72 0.00 0.00 39.33 41.64 3juy h ASP 115 CO 1.24 1.69 -0.76 -0.69 -2.88 0.00 0.00 179.24 177.83 3juy s VAL 116 N -2.52 0.37 0.26 2.25 1.01 -1.18 -4.42 120.40 116.17 3juy s VAL 116 Ca -0.18 0.07 0.06 0.00 0.00 0.00 0.00 61.98 61.93 3juy s VAL 116 Cb 0.05 -0.49 -0.03 0.00 0.00 0.00 0.00 36.38 35.91 3juy s VAL 116 CO 0.80 0.23 0.28 0.26 0.00 0.00 0.00 175.10 176.67 3juy s TRP 117 N 1.59 3.22 0.57 5.22 0.52 -1.26 -1.42 118.94 127.38 3juy s TRP 117 Ca -0.01 -0.10 -0.01 0.00 0.02 0.00 0.00 56.10 56.00 3juy s TRP 117 Cb -0.13 -1.53 0.03 0.00 -1.15 0.00 0.00 33.47 30.69 3juy s TRP 117 CO -0.03 0.43 0.82 0.20 0.02 0.00 0.00 176.95 178.39 3juy s GLY 118 N -3.92 1.73 0.51 0.98 0.00 -0.62 -4.68 107.32 101.32 3juy s GLY 118 Ca 0.35 -1.13 0.30 0.00 0.00 0.00 0.00 44.72 44.23 3juy s GLY 118 CO 0.27 -0.84 1.87 0.50 0.00 0.00 0.00 173.10 174.89 3juy h LYS 119 N -0.04 0.00 0.00 2.90 1.57 -1.91 -3.41 116.57 115.68 3juy h LYS 119 Ca -0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 3juy h LYS 119 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.60 3juy h LYS 119 CO 0.56 0.02 0.00 0.41 -0.57 0.00 0.00 179.45 179.87 3juy n GLY 120 N 0.35 2.69 2.74 3.86 0.00 -1.26 -4.56 105.19 109.02 3juy n GLY 120 Ca 0.02 -1.83 -0.28 0.00 0.00 0.00 0.00 46.02 43.92 3juy n GLY 120 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3juy s THR 121 N -2.44 0.66 0.20 2.61 2.01 -1.09 -4.91 115.64 112.68 3juy s THR 121 Ca 0.00 -0.82 -0.30 0.00 0.31 0.00 0.00 61.69 60.89 3juy s THR 121 Cb 0.00 -1.24 -0.08 0.00 0.01 0.00 0.00 72.50 71.19 3juy s THR 121 CO 0.00 -0.33 1.17 -0.89 -0.69 0.00 0.00 174.62 173.88 3juy s THR 122 N 1.77 3.58 -0.09 -0.82 2.01 -1.26 -1.86 115.64 118.97 3juy s THR 122 Ca 0.01 1.37 -0.01 0.00 0.31 0.00 0.00 61.69 63.38 3juy s THR 122 Cb -0.17 -3.87 0.03 0.00 0.01 0.00 0.00 72.50 68.49 3juy s THR 122 CO -0.13 0.24 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.30 3juy s VAL 123 N -0.25 0.77 -0.22 3.82 1.01 -0.12 -1.47 120.40 123.94 3juy s VAL 123 Ca 0.51 -0.14 -0.02 0.00 0.00 0.00 0.00 61.98 62.33 3juy s VAL 123 Cb -0.32 -0.83 0.01 0.00 0.00 0.00 0.00 36.38 35.23 3juy s VAL 123 CO 0.37 0.32 -0.09 -0.63 0.00 0.00 0.00 175.10 175.08 3juy s ILE 124 N 1.71 2.90 -0.19 2.22 1.01 -0.30 -1.49 121.20 127.06 3juy s ILE 124 Ca 0.03 -0.75 -0.24 0.00 0.00 0.00 0.00 60.65 59.69 3juy s ILE 124 Cb -0.13 -2.34 -0.02 0.00 0.01 0.00 0.00 42.46 39.99 3juy s ILE 124 CO -0.06 0.39 0.79 -0.69 0.00 0.00 0.00 174.94 175.37 3juy s VAL 125 N 1.39 4.90 0.00 2.92 1.01 -1.26 -0.90 120.40 128.46 3juy s VAL 125 Ca 0.04 1.53 0.00 0.00 0.00 0.00 0.00 61.98 63.55 3juy s VAL 125 Cb -0.15 -4.09 0.00 0.00 0.00 0.00 0.00 36.38 32.14 3juy s VAL 125 CO -0.06 0.03 0.00 -1.54 0.00 0.00 0.00 175.10 173.53 3juy n SER 126 N 5.33 -0.53 0.00 3.32 3.41 -0.62 -4.86 113.62 119.66 3juy n SER 126 Ca 0.03 -0.42 0.00 0.00 -0.26 0.00 0.00 58.87 58.22 3juy n SER 126 Cb 0.49 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 3juy n SER 126 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3juy n SER 127 N -2.08 0.00 -3.12 4.04 7.64 -1.26 -4.67 113.62 114.18 3juy n SER 127 Ca 0.00 0.00 -0.21 0.00 1.01 0.00 0.00 58.87 59.67 3juy n SER 127 Cb 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.16 3juy n SER 127 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3juy n GLU 143 N 0.00 1.67 -2.31 1.43 1.02 -1.26 -5.09 120.64 116.10 3juy n GLU 143 Ca 0.00 -3.84 -0.42 0.00 -0.02 0.00 0.00 57.16 52.87 3juy n GLU 143 Cb 0.00 -1.86 -0.03 0.00 -0.02 0.00 0.00 31.44 29.53 3juy n GLU 143 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3juy s ILE 144 N -3.00 3.84 -0.12 -3.67 1.01 -1.26 -4.96 121.20 113.04 3juy s ILE 144 Ca 0.43 1.26 0.01 0.00 0.00 0.00 0.00 60.65 62.35 3juy s ILE 144 Cb 0.32 -3.81 -0.01 0.00 0.01 0.00 0.00 42.46 38.97 3juy s ILE 144 CO -0.10 0.04 -0.17 -0.69 0.00 0.00 0.00 174.94 174.02 3juy s VAL 145 N 1.80 2.67 -0.14 2.92 1.01 -1.26 -4.94 120.40 122.47 3juy s VAL 145 Ca 0.61 -0.80 -0.06 0.00 0.00 0.00 0.00 61.98 61.74 3juy s VAL 145 Cb -0.30 -2.09 -0.04 0.00 0.00 0.00 0.00 36.38 33.94 3juy s VAL 145 CO 0.27 0.54 0.07 -0.76 0.00 0.00 0.00 175.10 175.21 3juy s LEU 146 N 0.38 3.92 -0.19 3.92 1.43 -1.26 -2.47 118.68 124.42 3juy s LEU 146 Ca -0.13 0.21 0.01 0.00 -1.03 0.00 0.00 54.13 53.18 3juy s LEU 146 Cb -0.17 -1.96 0.04 0.00 0.03 0.00 0.00 46.19 44.14 3juy s LEU 146 CO 0.06 0.30 -0.10 -0.89 0.23 0.00 0.00 176.35 175.95 3juy s THR 147 N -0.37 1.55 0.28 5.49 2.01 -0.59 -4.38 115.64 119.62 3juy s THR 147 Ca 0.09 -0.92 -0.08 0.00 0.31 0.00 0.00 61.69 61.09 3juy s THR 147 Cb -0.12 -1.63 -0.06 0.00 0.01 0.00 0.00 72.50 70.70 3juy s THR 147 CO 0.02 0.18 0.58 -1.10 -0.69 0.00 0.00 174.62 173.61 3juy s GLN 148 N 1.44 3.73 -0.20 4.92 -0.21 -1.26 -1.27 119.66 126.81 3juy s GLN 148 Ca -0.01 0.19 -0.23 0.00 0.02 0.00 0.00 55.36 55.34 3juy s GLN 148 Cb -0.16 -2.61 0.06 0.00 1.00 0.00 0.00 33.01 31.30 3juy s GLN 148 CO -0.08 0.22 0.62 0.00 -2.12 0.00 0.00 175.29 173.93 3juy s ALA 149 N -2.01 -1.54 1.07 6.09 0.00 -0.57 -4.61 121.76 120.19 3juy s ALA 149 Ca 0.47 1.63 -0.10 0.00 0.00 0.00 0.00 51.96 53.95 3juy s ALA 149 Cb -0.11 -0.82 0.15 0.00 0.00 0.00 0.00 23.12 22.34 3juy s ALA 149 CO 0.26 -0.30 0.65 -2.30 0.00 0.00 0.00 175.76 174.07 3juy n PRO 150 N 2.40 -1.51 0.13 0.00 -0.02 -1.26 -0.33 135.00 134.41 3juy n PRO 150 Ca -0.15 -1.02 -0.06 0.00 -2.02 0.00 0.00 63.50 60.25 3juy n PRO 150 Cb 0.56 -0.82 -0.03 0.00 -0.02 0.00 0.00 33.50 33.19 3juy n PRO 150 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3juy h GLY 151 N -1.36 -0.42 -4.59 -1.23 0.00 -1.88 -3.43 103.07 90.16 3juy h GLY 151 Ca -0.23 0.16 -0.68 0.00 0.00 0.00 0.00 47.33 46.57 3juy h GLY 151 CO 0.15 -0.15 -0.78 -1.59 0.00 0.00 0.00 176.54 174.17 3juy s THR 152 N -2.87 3.00 -0.29 4.70 2.01 -1.26 -1.01 115.64 119.92 3juy s THR 152 Ca -0.06 -1.02 -0.01 0.00 0.31 0.00 0.00 61.69 60.90 3juy s THR 152 Cb 0.01 -2.26 0.09 0.00 0.01 0.00 0.00 72.50 70.35 3juy s THR 152 CO 0.18 0.39 0.09 -0.22 -0.69 0.00 0.00 174.62 174.37 3juy s LEU 153 N -1.31 1.93 -0.22 4.42 0.20 0.11 -4.91 118.68 118.89 3juy s LEU 153 Ca 0.15 -1.49 -0.12 0.00 0.69 0.00 0.00 54.13 53.36 3juy s LEU 153 Cb -0.11 -0.78 -0.05 0.00 -0.43 0.00 0.00 46.19 44.83 3juy s LEU 153 CO 0.05 -0.40 0.25 -0.55 -0.29 0.00 0.00 176.35 175.41 3juy s SER 154 N 1.70 6.25 0.20 3.68 0.15 -1.26 -2.80 113.70 121.61 3juy s SER 154 Ca 0.08 0.28 -0.06 0.00 0.70 0.00 0.00 55.95 56.94 3juy s SER 154 Cb -0.17 -2.15 -0.02 0.00 -1.71 0.00 0.00 66.02 61.96 3juy s SER 154 CO -0.24 0.02 0.27 -0.76 1.20 0.00 0.00 173.24 173.74 3juy s LEU 155 N 1.07 0.88 0.37 3.45 1.43 -1.03 -5.02 118.68 119.83 3juy s LEU 155 Ca 0.12 -1.13 0.08 0.00 -1.03 0.00 0.00 54.13 52.17 3juy s LEU 155 Cb -0.14 0.99 -0.04 0.00 0.03 0.00 0.00 46.19 47.03 3juy s LEU 155 CO 0.05 -0.94 0.21 -0.44 0.23 0.00 0.00 176.35 175.46 3juy s SER 156 N -3.07 4.79 1.02 2.29 0.01 -1.26 -4.29 113.70 113.19 3juy s SER 156 Ca 0.28 -0.78 -0.16 0.00 1.31 0.00 0.00 55.95 56.61 3juy s SER 156 Cb 0.04 -0.70 0.03 0.00 0.21 0.00 0.00 66.02 65.60 3juy s SER 156 CO 0.08 -0.41 0.06 -2.65 0.41 0.00 0.00 173.24 170.73 3juy n PRO 157 N -1.27 -0.70 0.00 12.44 -0.02 -1.26 -2.63 135.00 141.56 3juy n PRO 157 Ca -0.01 -0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.29 3juy n PRO 157 Cb 0.62 -1.68 0.00 0.00 -0.02 0.00 0.00 33.50 32.41 3juy n PRO 157 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3juy n GLY 158 N 1.96 1.49 3.73 -1.23 0.00 -0.94 -4.87 105.19 105.33 3juy n GLY 158 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 3juy n GLY 158 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3juy s GLU 159 N 0.00 1.31 -0.32 1.61 2.02 -1.08 -4.52 118.70 117.73 3juy s GLU 159 Ca 0.00 0.71 -0.09 0.00 0.02 0.00 0.00 54.97 55.61 3juy s GLU 159 Cb 0.00 -1.82 0.00 0.00 0.10 0.00 0.00 34.13 32.41 3juy s GLU 159 CO 0.00 -2.17 0.15 0.50 0.02 0.00 0.00 175.26 173.75 3juy s ARG 160 N -5.00 3.23 0.16 1.61 3.52 -1.26 -2.02 118.95 119.18 3juy s ARG 160 Ca 0.63 -0.79 -0.12 0.00 -0.13 0.00 0.00 55.73 55.32 3juy s ARG 160 Cb -0.17 -3.56 -0.07 0.00 -1.56 0.00 0.00 34.95 29.60 3juy s ARG 160 CO 0.56 -0.46 0.51 0.00 -0.81 0.00 0.00 175.30 175.11 3juy s ALA 161 N 1.59 3.61 -0.22 6.12 0.00 -0.93 -5.00 121.76 126.93 3juy s ALA 161 Ca 0.04 -0.24 -0.03 0.00 0.00 0.00 0.00 51.96 51.73 3juy s ALA 161 Cb -0.17 -2.43 0.11 0.00 0.00 0.00 0.00 23.12 20.63 3juy s ALA 161 CO 0.06 0.50 0.28 0.99 0.00 0.00 0.00 175.76 177.59 3juy s THR 162 N -1.56 -0.44 0.12 0.00 2.01 -1.26 -2.36 115.64 112.16 3juy s THR 162 Ca 0.40 -0.11 -0.02 0.00 0.31 0.00 0.00 61.69 62.26 3juy s THR 162 Cb -0.14 -0.74 -0.05 0.00 0.01 0.00 0.00 72.50 71.58 3juy s THR 162 CO 0.20 -0.18 0.32 -0.36 -0.69 0.00 0.00 174.62 173.91 3juy s PHE 163 N 2.41 3.49 0.07 4.92 0.08 0.08 -4.68 117.98 124.35 3juy s PHE 163 Ca 0.09 0.41 0.09 0.00 0.12 0.00 0.00 56.93 57.65 3juy s PHE 163 Cb -0.16 -1.89 -0.03 0.00 -0.57 0.00 0.00 43.02 40.37 3juy s PHE 163 CO -0.14 0.48 -0.24 -1.12 -0.10 0.00 0.00 175.22 174.10 3juy s SER 164 N -2.58 2.88 -0.04 1.36 0.01 0.55 -2.26 113.70 113.62 3juy s SER 164 Ca 0.39 -0.62 0.02 0.00 1.31 0.00 0.00 55.95 57.05 3juy s SER 164 Cb -0.12 -0.22 0.01 0.00 0.21 0.00 0.00 66.02 65.89 3juy s SER 164 CO 0.26 0.18 -0.08 0.00 0.41 0.00 0.00 173.24 174.01 3juy s ARG 166 N 0.52 1.85 -0.01 0.00 3.00 -0.40 -1.38 118.95 122.53 3juy s ARG 166 Ca -0.09 -0.60 -0.11 0.00 -1.00 0.00 0.00 55.73 53.93 3juy s ARG 166 Cb -0.12 -2.11 -0.05 0.00 0.00 0.00 0.00 34.95 32.67 3juy s ARG 166 CO 0.01 -0.36 0.33 0.45 0.00 0.00 0.00 175.30 175.73 3juy s SER 167 N 1.53 6.65 0.19 -2.12 0.15 0.56 -1.55 113.70 119.11 3juy s SER 167 Ca 0.02 0.77 0.26 0.00 0.70 0.00 0.00 55.95 57.70 3juy s SER 167 Cb -0.15 -2.18 0.87 0.00 -1.71 0.00 0.00 66.02 62.86 3juy s SER 167 CO -0.09 0.31 1.79 -1.54 1.20 0.00 0.00 173.24 174.91 3juy n SER 168 N 1.62 0.70 -4.43 5.45 3.41 -1.03 -4.79 113.62 114.54 3juy n SER 168 Ca -0.14 0.57 -0.27 0.00 -0.26 0.00 0.00 58.87 58.77 3juy n SER 168 Cb 0.53 -0.76 -0.12 0.00 -0.26 0.00 0.00 64.21 63.60 3juy n SER 168 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 3juy s HIS 169 N -3.11 2.34 -0.21 7.33 3.76 -1.26 -4.99 115.29 119.15 3juy s HIS 169 Ca 0.10 -0.35 -0.29 0.00 -0.15 0.00 0.00 55.06 54.38 3juy s HIS 169 Cb 0.13 -1.17 -0.00 0.00 1.11 0.00 0.00 32.58 32.64 3juy s HIS 169 CO 0.57 0.48 1.16 0.45 -0.85 0.00 0.00 174.74 176.55 3juy s SER 170 N -2.59 6.99 -1.11 1.40 0.15 -1.26 -4.63 113.70 112.65 3juy s SER 170 Ca 0.20 1.51 -0.18 0.00 0.70 0.00 0.00 55.95 58.18 3juy s SER 170 Cb -0.08 -2.54 0.11 0.00 -1.71 0.00 0.00 66.02 61.80 3juy s SER 170 CO 0.10 -0.75 1.42 -0.63 1.20 0.00 0.00 173.24 174.58 3juy s ILE 171 N 3.43 4.52 0.13 6.45 -1.09 -0.68 -4.82 121.20 129.15 3juy s ILE 171 Ca 0.50 -1.79 -0.14 0.00 -2.23 0.00 0.00 60.65 56.99 3juy s ILE 171 Cb -0.18 -4.97 -0.02 0.00 -1.58 0.00 0.00 42.46 35.71 3juy s ILE 171 CO 0.12 -1.74 1.54 0.08 -1.23 0.00 0.00 174.94 173.70 3juy h ARG 172 N 8.27 0.76 0.00 2.79 0.11 -1.92 -2.92 114.38 121.46 3juy h ARG 172 Ca 0.28 -0.28 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3juy h ARG 172 Cb 0.94 -0.05 0.00 0.00 1.11 0.00 0.00 29.97 31.97 3juy h ARG 172 CO 1.29 0.88 0.00 -1.13 0.10 0.00 0.00 179.97 181.11 3juy n SER 173 N -4.36 0.00 -2.55 0.08 3.41 -1.26 -4.80 113.62 104.14 3juy n SER 173 Ca -0.01 0.45 -0.18 0.00 -0.26 0.00 0.00 58.87 58.87 3juy n SER 173 Cb 0.34 -0.46 -0.00 0.00 -0.26 0.00 0.00 64.21 63.83 3juy n SER 173 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3juy n ARG 174 N -1.46 -2.37 -2.53 4.33 1.74 -1.10 -4.87 116.66 110.40 3juy n ARG 174 Ca 0.01 0.80 -0.42 0.00 -0.77 0.00 0.00 57.85 57.48 3juy n ARG 174 Cb 0.06 -5.47 0.01 0.00 -1.02 0.00 0.00 32.46 26.04 3juy n ARG 174 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3juy n ARG 175 N -3.09 4.70 -4.19 5.56 1.74 -1.26 -3.67 116.66 116.44 3juy n ARG 175 Ca -0.18 -4.16 -0.30 0.00 -0.77 0.00 0.00 57.85 52.44 3juy n ARG 175 Cb 0.64 -2.59 -0.09 0.00 -1.02 0.00 0.00 32.46 29.40 3juy n ARG 175 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3juy s VAL 176 N -2.39 3.85 0.04 1.55 1.01 -1.26 -1.81 120.40 121.38 3juy s VAL 176 Ca 0.41 -1.00 -0.08 0.00 0.00 0.00 0.00 61.98 61.30 3juy s VAL 176 Cb 0.14 -2.81 0.00 0.00 0.00 0.00 0.00 36.38 33.71 3juy s VAL 176 CO -0.04 0.16 0.17 0.00 0.00 0.00 0.00 175.10 175.39 3juy s ALA 177 N -1.24 -0.29 -0.06 5.51 0.00 0.18 -0.55 121.76 125.31 3juy s ALA 177 Ca 0.24 -0.33 0.04 0.00 0.00 0.00 0.00 51.96 51.90 3juy s ALA 177 Cb -0.11 0.26 -0.00 0.00 0.00 0.00 0.00 23.12 23.26 3juy s ALA 177 CO 0.16 -0.34 -0.19 -1.58 0.00 0.00 0.00 175.76 173.81 3juy s TRP 178 N -2.49 1.95 0.02 0.00 0.52 0.10 0.24 118.94 119.27 3juy s TRP 178 Ca -0.06 -0.64 0.09 0.00 0.02 0.00 0.00 56.10 55.51 3juy s TRP 178 Cb -0.02 -1.32 -0.02 0.00 -1.15 0.00 0.00 33.47 30.96 3juy s TRP 178 CO -0.04 -0.24 -0.26 0.71 0.02 0.00 0.00 176.95 177.15 3juy s TYR 179 N 0.15 2.29 -0.06 -1.98 1.51 0.92 -1.12 117.35 119.06 3juy s TYR 179 Ca -0.08 -0.42 -0.11 0.00 -1.01 0.00 0.00 57.07 55.46 3juy s TYR 179 Cb -0.14 -1.41 -0.05 0.00 -0.11 0.00 0.00 41.96 40.25 3juy s TYR 179 CO 0.04 0.06 0.27 -1.14 -1.11 0.00 0.00 175.55 173.67 3juy s GLN 180 N -0.98 3.67 -0.13 -0.62 0.74 -0.47 -0.99 119.66 120.87 3juy s GLN 180 Ca 0.11 0.12 -0.04 0.00 0.05 0.00 0.00 55.36 55.60 3juy s GLN 180 Cb -0.10 -3.20 0.06 0.00 1.10 0.00 0.00 33.01 30.87 3juy s GLN 180 CO 0.01 0.73 0.14 -1.58 -0.55 0.00 0.00 175.29 174.04 3juy s HIS 181 N -1.07 -0.07 -0.78 1.67 2.46 0.22 -1.22 115.29 116.50 3juy s HIS 181 Ca 0.20 0.24 -0.07 0.00 0.47 0.00 0.00 55.06 55.89 3juy s HIS 181 Cb -0.14 -0.43 0.20 0.00 -0.13 0.00 0.00 32.58 32.08 3juy s HIS 181 CO 0.09 -0.39 0.67 0.15 -2.47 0.00 0.00 174.74 172.78 3juy s LYS 182 N 2.24 3.18 -0.04 2.88 1.02 -1.26 0.01 119.74 127.78 3juy s LYS 182 Ca 0.04 -2.70 -0.34 0.00 0.02 0.00 0.00 55.97 52.99 3juy s LYS 182 Cb -0.14 -4.08 -0.17 0.00 -0.52 0.00 0.00 37.83 32.93 3juy s LYS 182 CO -0.08 -1.23 0.94 -2.30 -0.92 0.00 0.00 175.35 171.76 3juy n PRO 183 N 3.38 0.00 0.00 -1.68 -0.02 -1.26 -1.63 135.00 133.79 3juy n PRO 183 Ca 0.14 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 3juy n PRO 183 Cb 0.41 -1.26 0.00 0.00 -0.02 0.00 0.00 33.50 32.63 3juy n PRO 183 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3juy n GLY 184 N 1.45 3.07 3.92 -1.23 0.00 -1.26 -5.08 105.19 106.06 3juy n GLY 184 Ca 0.18 -0.84 -0.27 0.00 0.00 0.00 0.00 46.02 45.09 3juy n GLY 184 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3juy s GLN 185 N 0.00 3.11 0.20 1.61 -0.21 -0.65 -4.92 119.66 118.80 3juy s GLN 185 Ca 0.00 0.02 -0.31 0.00 0.02 0.00 0.00 55.36 55.09 3juy s GLN 185 Cb 0.00 -2.32 -0.10 0.00 1.00 0.00 0.00 33.01 31.59 3juy s GLN 185 CO 0.00 -0.53 1.46 0.00 -2.12 0.00 0.00 175.29 174.10 3juy s ALA 186 N -2.89 3.66 0.97 6.09 0.00 -1.26 -4.62 121.76 123.70 3juy s ALA 186 Ca 0.52 1.29 -0.11 0.00 0.00 0.00 0.00 51.96 53.66 3juy s ALA 186 Cb -0.10 -3.57 0.14 0.00 0.00 0.00 0.00 23.12 19.59 3juy s ALA 186 CO 0.45 -0.72 0.92 -2.30 0.00 0.00 0.00 175.76 174.11 3juy n PRO 187 N 3.14 -0.71 -4.07 0.00 -0.02 -1.26 -4.80 135.00 127.28 3juy n PRO 187 Ca 0.10 -0.15 -0.15 0.00 -2.02 0.00 0.00 63.50 61.28 3juy n PRO 187 Cb 0.40 -2.21 -0.14 0.00 -0.02 0.00 0.00 33.50 31.53 3juy n PRO 187 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 3juy s ARG 188 N -4.33 0.31 0.12 -0.52 3.52 -0.36 -4.33 118.95 113.36 3juy s ARG 188 Ca 0.64 -0.13 -0.30 0.00 -0.13 0.00 0.00 55.73 55.82 3juy s ARG 188 Cb -0.22 -0.31 -0.06 0.00 -1.56 0.00 0.00 34.95 32.80 3juy s ARG 188 CO 0.61 0.07 1.01 -1.17 -0.81 0.00 0.00 175.30 175.01 3juy s LEU 189 N -0.03 4.48 -0.04 -0.88 2.96 -1.26 -1.37 118.68 122.55 3juy s LEU 189 Ca 0.01 1.87 -0.07 0.00 -0.22 0.00 0.00 54.13 55.72 3juy s LEU 189 Cb -0.02 -3.59 -0.03 0.00 0.50 0.00 0.00 46.19 43.05 3juy s LEU 189 CO -0.00 -0.14 -0.14 0.52 -1.32 0.00 0.00 176.35 175.27 3juy n VAL 190 N 2.81 1.16 -4.76 1.68 0.31 -0.27 -4.69 118.33 114.56 3juy n VAL 190 Ca 0.03 0.18 -0.26 0.00 -0.01 0.00 0.00 64.34 64.28 3juy n VAL 190 Cb 0.48 -1.84 -0.16 0.00 -0.91 0.00 0.00 33.84 31.41 3juy n VAL 190 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3juy s ILE 191 N -2.33 1.37 0.02 2.52 -1.09 -1.13 0.78 121.20 121.34 3juy s ILE 191 Ca -0.13 -0.64 0.05 0.00 -2.23 0.00 0.00 60.65 57.70 3juy s ILE 191 Cb 0.03 -1.20 -0.02 0.00 -1.58 0.00 0.00 42.46 39.69 3juy s ILE 191 CO 0.18 0.40 -0.14 -1.38 -1.23 0.00 0.00 174.94 172.77 3juy s HIS 192 N 0.37 1.26 -0.91 3.97 -3.43 -1.06 -0.72 115.29 114.76 3juy s HIS 192 Ca -0.11 -0.31 -0.01 0.00 -0.80 0.00 0.00 55.06 53.84 3juy s HIS 192 Cb -0.14 -0.77 0.00 0.00 -1.43 0.00 0.00 32.58 30.24 3juy s HIS 192 CO 0.04 0.02 0.76 0.41 -2.00 0.00 0.00 174.74 173.97 3juy n GLY 193 N 2.22 -0.16 5.00 -1.38 0.00 0.28 -2.43 105.19 108.73 3juy n GLY 193 Ca -0.16 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.82 3juy n GLY 193 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3juy n VAL 194 N -3.48 0.00 -0.10 1.61 0.31 -0.73 -3.79 118.33 112.15 3juy n VAL 194 Ca -0.18 0.00 -0.18 0.00 -0.01 0.00 0.00 64.34 63.97 3juy n VAL 194 Cb 0.61 0.00 -0.13 0.00 -0.91 0.00 0.00 33.84 33.42 3juy n VAL 194 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 3juy n SER 195 N 0.57 1.78 -4.65 4.52 7.64 -1.26 -3.30 113.62 118.92 3juy n SER 195 Ca 0.00 -0.04 -0.30 0.00 1.01 0.00 0.00 58.87 59.53 3juy n SER 195 Cb 0.00 -0.35 0.18 0.00 -1.01 0.00 0.00 64.21 63.03 3juy n SER 195 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 3juy s ASN 196 N -6.51 2.69 -0.10 6.43 -0.87 -1.02 -4.34 114.94 111.23 3juy s ASN 196 Ca -0.29 2.03 0.02 0.00 -1.57 0.00 0.00 52.86 53.04 3juy s ASN 196 Cb 0.08 -2.51 0.02 0.00 -0.02 0.00 0.00 41.25 38.82 3juy s ASN 196 CO 0.66 -3.22 -0.13 -0.60 -2.57 0.00 0.00 177.10 171.24 3juy s ARG 197 N -4.64 1.95 0.59 -0.60 3.52 -1.26 -2.56 118.95 115.95 3juy s ARG 197 Ca 0.67 -0.47 -0.20 0.00 -0.13 0.00 0.00 55.73 55.60 3juy s ARG 197 Cb -0.23 -1.69 -0.03 0.00 -1.56 0.00 0.00 34.95 31.44 3juy s ARG 197 CO 0.59 -0.07 1.33 0.00 -0.81 0.00 0.00 175.30 176.34 3juy s ALA 198 N 1.00 2.61 0.15 6.12 0.00 0.23 -4.93 121.76 126.95 3juy s ALA 198 Ca -0.07 1.27 -0.30 0.00 0.00 0.00 0.00 51.96 52.86 3juy s ALA 198 Cb -0.15 -3.56 -0.08 0.00 0.00 0.00 0.00 23.12 19.33 3juy s ALA 198 CO -0.01 -1.47 1.29 -1.54 0.00 0.00 0.00 175.76 174.03 3juy s SER 199 N -1.17 6.95 0.00 0.00 1.04 -1.26 -2.71 113.70 116.55 3juy s SER 199 Ca 0.77 2.29 0.00 0.00 0.48 0.00 0.00 55.95 59.48 3juy s SER 199 Cb -0.39 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.13 3juy s SER 199 CO 0.44 -0.52 0.00 0.61 0.98 0.00 0.00 173.24 174.75 3juy n GLY 200 N 2.73 1.02 3.31 7.32 0.00 -1.26 -5.08 105.19 113.23 3juy n GLY 200 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 3juy n GLY 200 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3juy s ILE 201 N -2.00 2.79 0.48 -0.61 -1.09 -1.10 -5.10 121.20 114.57 3juy s ILE 201 Ca 0.00 -0.74 -0.23 0.00 -2.23 0.00 0.00 60.65 57.44 3juy s ILE 201 Cb 0.00 -2.17 -0.07 0.00 -1.58 0.00 0.00 42.46 38.65 3juy s ILE 201 CO 0.00 0.52 1.28 -0.55 -1.23 0.00 0.00 174.94 174.97 3juy s SER 202 N 0.56 5.83 0.00 3.58 0.15 -1.26 -4.89 113.70 117.67 3juy s SER 202 Ca -0.09 2.59 0.07 0.00 0.70 0.00 0.00 55.95 59.22 3juy s SER 202 Cb -0.16 -2.63 0.32 0.00 -1.71 0.00 0.00 66.02 61.84 3juy s SER 202 CO 0.04 -1.17 1.18 -0.90 1.20 0.00 0.00 173.24 173.59 3juy n ASP 203 N -0.55 0.00 0.32 5.45 5.75 -1.26 -1.03 116.55 125.24 3juy n ASP 203 Ca 0.08 0.40 0.21 0.00 -0.01 0.00 0.00 54.79 55.47 3juy n ASP 203 Cb 0.45 -0.43 1.07 0.00 -1.03 0.00 0.00 41.12 41.18 3juy n ASP 203 CO 0.00 0.00 0.00 0.03 -0.11 0.00 0.00 177.20 177.12 3juy h ARG 204 N 0.00 0.00 -5.29 0.11 3.08 -1.91 -3.39 114.38 106.97 3juy h ARG 204 Ca 0.00 0.00 -0.66 0.00 0.07 0.00 0.00 59.98 59.39 3juy h ARG 204 Cb 0.10 0.00 -0.16 0.00 0.08 0.00 0.00 29.97 30.00 3juy h ARG 204 CO 0.00 0.00 0.03 -0.06 -1.07 0.00 0.00 179.97 178.88 3juy s PHE 205 N -4.02 3.12 0.08 3.04 0.40 -0.20 -1.17 117.98 119.24 3juy s PHE 205 Ca -0.03 -0.01 0.09 0.00 -0.60 0.00 0.00 56.93 56.38 3juy s PHE 205 Cb 0.12 -3.16 -0.03 0.00 0.51 0.00 0.00 43.02 40.46 3juy s PHE 205 CO 0.45 -0.74 -0.25 0.45 0.70 0.00 0.00 175.22 175.83 3juy s SER 206 N 1.90 2.98 0.18 1.36 0.15 0.73 -4.97 113.70 116.03 3juy s SER 206 Ca 0.20 -0.65 0.08 0.00 0.70 0.00 0.00 55.95 56.28 3juy s SER 206 Cb -0.15 -0.22 -0.04 0.00 -1.71 0.00 0.00 66.02 63.89 3juy s SER 206 CO 0.16 0.18 -0.15 -0.83 1.20 0.00 0.00 173.24 173.80 3juy s GLY 207 N -1.62 1.36 0.04 9.45 0.00 -1.26 0.14 107.32 115.43 3juy s GLY 207 Ca 0.11 -1.57 -0.27 0.00 0.00 0.00 0.00 44.72 42.99 3juy s GLY 207 CO 0.04 -1.65 1.20 -1.35 0.00 0.00 0.00 173.10 171.34 3juy s SER 208 N -3.05 -0.04 0.00 1.64 1.04 -0.57 -4.47 113.70 108.25 3juy s SER 208 Ca 0.19 -0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.32 3juy s SER 208 Cb -0.02 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.36 3juy s SER 208 CO 0.06 -0.51 0.00 0.61 0.98 0.00 0.00 173.24 174.38 3juy n GLY 209 N -0.67 0.82 3.77 7.32 0.00 -1.26 -0.62 105.19 114.56 3juy n GLY 209 Ca -0.03 -2.13 0.02 0.00 0.00 0.00 0.00 46.02 43.88 3juy n GLY 209 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3juy s SER 210 N -1.52 -0.03 1.11 1.61 1.04 -0.50 -4.97 113.70 110.44 3juy s SER 210 Ca 0.00 -0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.23 3juy s SER 210 Cb 0.00 0.18 0.00 0.00 0.10 0.00 0.00 66.02 66.30 3juy s SER 210 CO 0.00 -0.35 0.00 0.61 0.98 0.00 0.00 173.24 174.48 3juy n GLY 211 N -0.65 1.69 0.02 7.32 0.00 -1.26 -2.02 105.19 110.29 3juy n GLY 211 Ca -0.04 0.47 0.08 0.00 0.00 0.00 0.00 46.02 46.54 3juy n GLY 211 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3juy n THR 212 N 0.00 0.15 -4.97 2.61 -1.04 -1.26 -1.68 114.28 108.09 3juy n THR 212 Ca 0.00 -0.52 -0.32 0.00 -2.04 0.00 0.00 64.05 61.17 3juy n THR 212 Cb 0.00 -0.04 -0.15 0.00 -1.82 0.00 0.00 70.33 68.32 3juy n THR 212 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 3juy s ASP 213 N -4.52 3.62 0.12 8.00 -0.00 -0.86 -0.32 116.67 122.71 3juy s ASP 213 Ca -0.08 -0.42 0.04 0.00 -0.00 0.00 0.00 52.55 52.09 3juy s ASP 213 Cb 0.12 -1.46 -0.04 0.00 -0.00 0.00 0.00 42.92 41.55 3juy s ASP 213 CO 0.86 0.18 -0.09 -0.36 -0.00 0.00 0.00 175.17 175.75 3juy s PHE 214 N 0.26 1.11 -0.08 4.23 0.08 -0.48 -1.41 117.98 121.70 3juy s PHE 214 Ca -0.12 -0.75 -0.06 0.00 0.12 0.00 0.00 56.93 56.12 3juy s PHE 214 Cb -0.16 -0.59 0.03 0.00 -0.57 0.00 0.00 43.02 41.72 3juy s PHE 214 CO 0.07 0.00 0.20 0.99 -0.10 0.00 0.00 175.22 176.38 3juy s THR 215 N -3.02 -0.01 -0.04 0.64 2.01 0.21 -0.57 115.64 114.86 3juy s THR 215 Ca 0.11 0.05 0.05 0.00 0.31 0.00 0.00 61.69 62.21 3juy s THR 215 Cb 0.01 -0.29 -0.02 0.00 0.01 0.00 0.00 72.50 72.20 3juy s THR 215 CO -0.01 0.02 -0.18 -0.22 -0.69 0.00 0.00 174.62 173.55 3juy s LEU 216 N 0.48 2.54 -0.02 4.42 2.96 -0.96 -1.51 118.68 126.58 3juy s LEU 216 Ca -0.03 -0.28 0.01 0.00 -0.22 0.00 0.00 54.13 53.61 3juy s LEU 216 Cb -0.05 -1.49 0.01 0.00 0.50 0.00 0.00 46.19 45.16 3juy s LEU 216 CO -0.02 0.34 -0.05 -0.89 -1.32 0.00 0.00 176.35 174.40 3juy s THR 217 N -0.71 0.50 -0.16 3.68 2.01 0.12 -0.74 115.64 120.35 3juy s THR 217 Ca 0.11 -0.18 -0.03 0.00 0.31 0.00 0.00 61.69 61.90 3juy s THR 217 Cb -0.10 -0.48 -0.02 0.00 0.01 0.00 0.00 72.50 71.90 3juy s THR 217 CO 0.00 0.18 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.42 3juy s ILE 218 N 0.42 3.60 -0.09 1.82 1.01 -0.99 -0.19 121.20 126.77 3juy s ILE 218 Ca -0.05 -0.46 -0.24 0.00 0.00 0.00 0.00 60.65 59.90 3juy s ILE 218 Cb -0.09 -2.57 -0.20 0.00 0.01 0.00 0.00 42.46 39.61 3juy s ILE 218 CO -0.00 0.49 0.87 0.71 0.00 0.00 0.00 174.94 177.00 3juy h THR 219 N 5.31 1.34 -3.40 2.92 1.35 -1.43 -2.47 112.91 116.54 3juy h THR 219 Ca -0.31 -1.66 -0.63 0.00 -0.55 0.00 0.00 66.41 63.26 3juy h THR 219 Cb 1.19 2.38 -0.40 0.00 -1.73 0.00 0.00 68.15 69.59 3juy h THR 219 CO 0.60 0.39 -0.72 0.00 -0.25 0.00 0.00 175.52 175.54 3juy s ARG 220 N -2.97 1.27 0.11 4.72 1.04 -1.26 -3.98 118.95 117.88 3juy s ARG 220 Ca -0.15 -1.73 -0.36 0.00 -1.04 0.00 0.00 55.73 52.45 3juy s ARG 220 Cb -0.01 -2.73 -0.16 0.00 -2.04 0.00 0.00 34.95 30.01 3juy s ARG 220 CO 0.59 -1.00 1.33 0.28 -0.04 0.00 0.00 175.30 176.45 3juy n VAL 221 N 4.21 0.19 -3.75 4.99 0.31 -0.86 -4.71 118.33 118.71 3juy n VAL 221 Ca 0.03 -0.05 -0.25 0.00 -0.01 0.00 0.00 64.34 64.06 3juy n VAL 221 Cb 0.40 -0.91 -0.00 0.00 -0.91 0.00 0.00 33.84 32.42 3juy n VAL 221 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 3juy s GLU 222 N 0.34 2.29 0.15 5.55 0.41 -1.26 -2.23 118.70 123.95 3juy s GLU 222 Ca 0.81 -1.92 -0.11 0.00 -0.41 0.00 0.00 54.97 53.34 3juy s GLU 222 Cb -0.90 -2.19 -0.01 0.00 -1.78 0.00 0.00 34.13 29.25 3juy s GLU 222 CO 0.47 -0.60 1.53 -1.35 -0.49 0.00 0.00 175.26 174.82 3juy h PRO 223 N 0.72 0.97 -0.90 0.39 0.11 -2.01 -3.21 132.00 128.06 3juy h PRO 223 Ca -0.36 -0.42 -0.05 0.00 0.11 0.00 0.00 66.00 65.28 3juy h PRO 223 Cb 1.30 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.35 3juy h PRO 223 CO 0.55 1.09 0.06 -0.85 -0.21 0.00 0.00 178.00 178.65 3juy n GLU 224 N -4.13 2.07 0.00 1.05 0.00 -1.26 -3.64 120.64 114.73 3juy n GLU 224 Ca -0.00 -1.04 0.06 0.00 0.00 0.00 0.00 57.16 56.18 3juy n GLU 224 Cb 0.46 -1.66 -0.06 0.00 0.00 0.00 0.00 31.44 30.18 3juy n GLU 224 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3juy n ASP 225 N 0.14 0.70 -4.60 -1.84 8.00 -1.21 -4.90 116.55 112.84 3juy n ASP 225 Ca 0.12 -0.85 -0.43 0.00 0.71 0.00 0.00 54.79 54.34 3juy n ASP 225 Cb 0.65 0.92 -0.03 0.00 -0.02 0.00 0.00 41.12 42.65 3juy n ASP 225 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3juy s PHE 226 N -2.09 1.89 0.26 1.24 0.40 -1.24 -4.89 117.98 113.55 3juy s PHE 226 Ca 0.06 0.62 -0.20 0.00 -0.60 0.00 0.00 56.93 56.80 3juy s PHE 226 Cb 0.10 -4.15 0.07 0.00 0.51 0.00 0.00 43.02 39.55 3juy s PHE 226 CO 0.48 -2.86 0.95 0.00 0.70 0.00 0.00 175.22 174.50 3juy s ALA 227 N 6.59 -1.29 0.16 5.36 0.00 -1.02 -4.92 121.76 126.63 3juy s ALA 227 Ca 0.77 -0.49 -0.23 0.00 0.00 0.00 0.00 51.96 52.01 3juy s ALA 227 Cb -0.22 0.73 -0.08 0.00 0.00 0.00 0.00 23.12 23.56 3juy s ALA 227 CO 0.33 -1.04 0.73 -0.51 0.00 0.00 0.00 175.76 175.27 3juy s LEU 228 N -3.29 4.54 -0.11 0.00 1.43 0.10 -1.60 118.68 119.76 3juy s LEU 228 Ca 0.20 1.53 0.02 0.00 -1.03 0.00 0.00 54.13 54.85 3juy s LEU 228 Cb -0.04 -3.26 0.01 0.00 0.03 0.00 0.00 46.19 42.94 3juy s LEU 228 CO 0.07 0.20 -0.16 -0.31 0.23 0.00 0.00 176.35 176.38 3juy s TYR 229 N -1.20 2.01 -0.04 0.29 2.02 -0.43 0.73 117.35 120.73 3juy s TYR 229 Ca 0.35 -0.92 0.06 0.00 -0.37 0.00 0.00 57.07 56.19 3juy s TYR 229 Cb -0.21 -1.43 -0.01 0.00 -0.40 0.00 0.00 41.96 39.90 3juy s TYR 229 CO 0.24 -0.46 -0.23 0.71 -1.57 0.00 0.00 175.55 174.24 3juy s TYR 230 N 0.90 2.15 0.22 2.71 1.51 -0.17 -0.57 117.35 124.10 3juy s TYR 230 Ca -0.08 -0.52 0.04 0.00 -1.01 0.00 0.00 57.07 55.50 3juy s TYR 230 Cb -0.15 -1.40 -0.03 0.00 -0.11 0.00 0.00 41.96 40.26 3juy s TYR 230 CO -0.00 -0.12 0.33 0.00 -1.11 0.00 0.00 175.55 174.65 3juy s GLN 232 N -3.77 0.59 -0.22 0.00 0.74 0.14 -0.66 119.66 116.47 3juy s GLN 232 Ca 0.34 0.86 -0.08 0.00 0.05 0.00 0.00 55.36 56.53 3juy s GLN 232 Cb -0.09 0.19 -0.04 0.00 1.10 0.00 0.00 33.01 34.16 3juy s GLN 232 CO 0.29 -0.11 0.09 0.08 -0.55 0.00 0.00 175.29 175.08 3juy s VAL 233 N 0.86 4.68 0.16 1.34 1.01 -0.97 0.50 120.40 127.99 3juy s VAL 233 Ca -0.05 -0.06 0.10 0.00 0.00 0.00 0.00 61.98 61.98 3juy s VAL 233 Cb -0.05 -3.16 -0.04 0.00 0.00 0.00 0.00 36.38 33.13 3juy s VAL 233 CO -0.07 0.38 -0.23 -0.72 0.00 0.00 0.00 175.10 174.46 3juy s TYR 234 N 1.08 2.15 0.00 5.22 -0.85 -0.75 -2.16 117.35 122.04 3juy s TYR 234 Ca 0.05 -0.39 0.00 0.00 -0.52 0.00 0.00 57.07 56.21 3juy s TYR 234 Cb -0.14 -1.10 0.00 0.00 0.38 0.00 0.00 41.96 41.10 3juy s TYR 234 CO 0.03 0.40 0.00 0.41 -1.52 0.00 0.00 175.55 174.87 3juy n GLY 235 N 0.52 4.14 0.03 5.49 0.00 -0.95 -4.75 105.19 109.67 3juy n GLY 235 Ca -0.15 -0.31 0.11 0.00 0.00 0.00 0.00 46.02 45.68 3juy n GLY 235 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3juy n ALA 236 N -3.00 2.88 -0.56 4.61 0.00 -1.26 -4.73 120.51 118.46 3juy n ALA 236 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 52.98 3juy n ALA 236 Cb 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 18.62 3juy n ALA 236 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3juy n SER 237 N -2.28 0.00 -4.02 0.00 7.64 -1.26 -5.02 113.62 108.68 3juy n SER 237 Ca -0.03 0.00 -0.27 0.00 1.01 0.00 0.00 58.87 59.59 3juy n SER 237 Cb 0.55 0.00 -0.17 0.00 -1.01 0.00 0.00 64.21 63.58 3juy n SER 237 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 3juy s SER 238 N 0.00 2.13 -0.06 6.43 0.01 -1.26 -4.95 113.70 116.00 3juy s SER 238 Ca 0.00 -0.36 -0.01 0.00 1.31 0.00 0.00 55.95 56.90 3juy s SER 238 Cb 0.00 -0.94 0.03 0.00 0.21 0.00 0.00 66.02 65.31 3juy s SER 238 CO 0.00 0.00 -0.01 -0.31 0.41 0.00 0.00 173.24 173.33 3juy s TYR 239 N 0.97 0.63 -0.02 2.43 1.51 -1.26 -2.24 117.35 119.38 3juy s TYR 239 Ca -0.08 -0.15 0.02 0.00 -1.01 0.00 0.00 57.07 55.85 3juy s TYR 239 Cb -0.15 -0.72 0.00 0.00 -0.11 0.00 0.00 41.96 40.98 3juy s TYR 239 CO -0.00 -0.28 -0.05 0.95 -1.11 0.00 0.00 175.55 175.06 3juy s THR 240 N 1.65 0.46 0.25 -0.71 -4.23 -0.92 -4.56 115.64 107.58 3juy s THR 240 Ca 0.00 -0.20 0.06 0.00 -1.18 0.00 0.00 61.69 60.37 3juy s THR 240 Cb -0.13 -0.42 -0.03 0.00 1.34 0.00 0.00 72.50 73.26 3juy s THR 240 CO -0.04 0.15 0.32 -0.36 -0.54 0.00 0.00 174.62 174.15 3juy s PHE 241 N 0.19 3.31 0.82 3.99 0.40 -1.26 -2.28 117.98 123.15 3juy s PHE 241 Ca -0.02 -0.07 -0.12 0.00 -0.60 0.00 0.00 56.93 56.13 3juy s PHE 241 Cb -0.06 -1.56 0.08 0.00 0.51 0.00 0.00 43.02 42.00 3juy s PHE 241 CO -0.00 0.43 1.12 0.20 0.70 0.00 0.00 175.22 177.66 3juy s GLY 242 N -3.95 1.61 0.42 4.36 0.00 0.16 -4.48 107.32 105.43 3juy s GLY 242 Ca 0.35 -0.38 0.25 0.00 0.00 0.00 0.00 44.72 44.94 3juy s GLY 242 CO 0.28 0.08 1.70 0.06 0.00 0.00 0.00 173.10 175.22 3juy h GLN 243 N -1.13 0.00 0.00 2.90 -0.00 -1.91 -3.44 115.11 111.53 3juy h GLN 243 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.17 3juy h GLN 243 Cb 1.29 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.77 3juy h GLN 243 CO 0.62 0.00 0.00 0.41 -0.00 0.00 0.00 178.83 179.86 3juy n GLY 244 N 0.91 2.75 3.24 0.06 0.00 -1.26 -4.87 105.19 106.01 3juy n GLY 244 Ca 0.04 -1.59 -0.33 0.00 0.00 0.00 0.00 46.02 44.13 3juy n GLY 244 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3juy s THR 245 N -1.21 2.51 -0.02 2.61 2.01 0.26 -4.83 115.64 116.97 3juy s THR 245 Ca 0.00 -0.82 -0.25 0.00 0.31 0.00 0.00 61.69 60.93 3juy s THR 245 Cb 0.00 -2.05 -0.04 0.00 0.01 0.00 0.00 72.50 70.42 3juy s THR 245 CO 0.00 0.52 0.78 -0.75 -0.69 0.00 0.00 174.62 174.48 3juy s LYS 246 N 0.85 4.48 -0.36 4.92 2.20 -0.18 -1.31 119.74 130.34 3juy s LYS 246 Ca -0.05 1.05 -0.02 0.00 -0.36 0.00 0.00 55.97 56.60 3juy s LYS 246 Cb -0.15 -3.43 0.09 0.00 -1.51 0.00 0.00 37.83 32.82 3juy s LYS 246 CO -0.01 0.09 0.10 -1.17 -0.36 0.00 0.00 175.35 174.01 3juy s LEU 247 N 0.64 4.67 0.31 5.43 2.96 -0.63 0.06 118.68 132.12 3juy s LEU 247 Ca 0.41 -1.76 0.09 0.00 -0.22 0.00 0.00 54.13 52.66 3juy s LEU 247 Cb -0.19 -1.76 -0.05 0.00 0.50 0.00 0.00 46.19 44.69 3juy s LEU 247 CO 0.22 -0.41 0.03 -1.83 -1.32 0.00 0.00 176.35 173.03 3juy s GLU 248 N 1.15 2.20 0.00 1.98 -1.05 -1.12 -2.43 118.70 119.42 3juy s GLU 248 Ca 0.03 -1.59 0.08 0.00 -0.15 0.00 0.00 54.97 53.35 3juy s GLU 248 Cb -0.21 -2.06 0.49 0.00 -0.44 0.00 0.00 34.13 31.91 3juy s GLU 248 CO -0.04 0.22 0.94 -2.13 0.95 0.00 0.00 175.26 175.21