#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3juy s VAL 2 N 0.00 3.73 -0.02 1.69 1.01 -1.26 -4.52 120.40 121.03 3juy s VAL 2 Ca 0.00 1.19 0.02 0.00 0.00 0.00 0.00 61.98 63.19 3juy s VAL 2 Cb 0.00 -3.76 0.01 0.00 0.00 0.00 0.00 36.38 32.62 3juy s VAL 2 CO 0.00 0.05 -0.06 -1.58 0.00 0.00 0.00 175.10 173.51 3juy s GLN 3 N 1.69 0.65 -0.13 2.72 0.74 -0.79 -5.03 119.66 119.50 3juy s GLN 3 Ca 0.62 -0.18 0.01 0.00 0.05 0.00 0.00 55.36 55.86 3juy s GLN 3 Cb -0.32 -0.65 -0.01 0.00 1.10 0.00 0.00 33.01 33.14 3juy s GLN 3 CO 0.28 0.05 -0.16 -0.51 -0.55 0.00 0.00 175.29 174.40 3juy s LEU 4 N 0.28 2.52 -0.24 3.68 1.43 -1.26 -1.77 118.68 123.31 3juy s LEU 4 Ca -0.03 -0.41 0.02 0.00 -1.03 0.00 0.00 54.13 52.67 3juy s LEU 4 Cb -0.08 -1.55 0.06 0.00 0.03 0.00 0.00 46.19 44.65 3juy s LEU 4 CO -0.00 0.15 -0.09 -0.69 0.23 0.00 0.00 176.35 175.94 3juy s VAL 5 N 0.45 1.91 0.41 -1.59 1.01 0.10 -4.37 120.40 118.32 3juy s VAL 5 Ca -0.12 -1.43 -0.02 0.00 0.00 0.00 0.00 61.98 60.42 3juy s VAL 5 Cb -0.16 -2.06 -0.03 0.00 0.00 0.00 0.00 36.38 34.12 3juy s VAL 5 CO 0.05 -0.02 0.65 -1.10 0.00 0.00 0.00 175.10 174.69 3juy s GLN 6 N 1.23 3.51 1.18 2.72 -0.21 -1.26 -0.70 119.66 126.12 3juy s GLN 6 Ca -0.07 -0.10 -0.18 0.00 0.02 0.00 0.00 55.36 55.03 3juy s GLN 6 Cb -0.19 -2.54 0.28 0.00 1.00 0.00 0.00 33.01 31.56 3juy s GLN 6 CO -0.06 -0.01 1.11 -1.54 -2.12 0.00 0.00 175.29 172.68 3juy s SER 7 N -4.07 1.14 0.52 5.90 1.04 -0.90 -4.96 113.70 112.37 3juy s SER 7 Ca 0.43 0.67 -0.07 0.00 0.48 0.00 0.00 55.95 57.47 3juy s SER 7 Cb -0.10 -0.95 -0.04 0.00 0.10 0.00 0.00 66.02 65.04 3juy s SER 7 CO 0.40 -3.99 0.85 -0.83 0.98 0.00 0.00 173.24 170.64 3juy s GLY 8 N -3.88 1.54 0.72 7.32 0.00 -1.26 -4.69 107.32 107.07 3juy s GLY 8 Ca 0.70 -0.42 -0.16 0.00 0.00 0.00 0.00 44.72 44.85 3juy s GLY 8 CO 0.56 -0.22 0.68 0.00 0.00 0.00 0.00 173.10 174.12 3juy n ALA 9 N -2.39 -1.09 -2.49 3.20 0.00 -1.26 -4.82 120.51 111.66 3juy n ALA 9 Ca 0.02 -0.23 -0.08 0.00 0.00 0.00 0.00 53.44 53.15 3juy n ALA 9 Cb 0.55 -1.94 -0.09 0.00 0.00 0.00 0.00 19.45 17.96 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 -2.96 0.61 -0.13 0.00 2.02 -0.59 -4.97 118.70 112.68 3juy s GLU 10 Ca 0.68 -0.95 0.02 0.00 0.02 0.00 0.00 54.97 54.75 3juy s GLU 10 Cb -0.35 0.23 0.00 0.00 0.10 0.00 0.00 34.13 34.11 3juy s GLU 10 CO 0.55 -0.14 -0.20 0.08 0.02 0.00 0.00 175.26 175.57 3juy s VAL 11 N -3.19 2.30 0.01 2.63 1.01 -1.26 -2.36 120.40 119.53 3juy s VAL 11 Ca 0.00 -0.92 0.05 0.00 0.00 0.00 0.00 61.98 61.11 3juy s VAL 11 Cb 0.02 -1.92 -0.02 0.00 0.00 0.00 0.00 36.38 34.47 3juy s VAL 11 CO -0.07 0.54 -0.16 -0.54 0.00 0.00 0.00 175.10 174.87 3juy s LYS 12 N 0.57 1.23 0.49 2.72 -0.14 -0.07 -4.98 119.74 119.55 3juy s LYS 12 Ca -0.12 -0.65 -0.07 0.00 -1.36 0.00 0.00 55.97 53.77 3juy s LYS 12 Cb -0.17 -1.22 -0.04 0.00 -1.68 0.00 0.00 37.83 34.73 3juy s LYS 12 CO 0.04 0.33 0.82 0.15 -0.76 0.00 0.00 175.35 175.92 3juy s LYS 13 N -0.62 3.58 0.54 1.68 1.02 -1.26 -1.08 119.74 123.60 3juy s LYS 13 Ca 0.05 0.32 -0.19 0.00 0.02 0.00 0.00 55.97 56.17 3juy s LYS 13 Cb -0.07 -2.33 -0.09 0.00 -0.52 0.00 0.00 37.83 34.82 3juy s LYS 13 CO 0.00 -0.24 0.63 -2.30 -0.92 0.00 0.00 175.35 172.52 3juy n PRO 14 N -2.21 0.64 0.00 -1.68 -0.02 -1.26 -2.17 135.00 128.31 3juy n PRO 14 Ca 0.02 0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 3juy n PRO 14 Cb 0.55 -1.77 0.00 0.00 -0.02 0.00 0.00 33.50 32.26 3juy n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3juy n GLY 15 N 1.66 2.39 1.60 -1.23 0.00 -0.23 -4.92 105.19 104.47 3juy n GLY 15 Ca 0.12 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.00 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 0.20 -1.34 -2.96 4.61 0.00 -0.92 -4.02 120.51 116.08 3juy n ALA 16 Ca 0.00 -0.74 -0.10 0.00 0.00 0.00 0.00 53.44 52.60 3juy n ALA 16 Cb 0.00 -0.05 -0.12 0.00 0.00 0.00 0.00 19.45 19.28 3juy n ALA 16 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3juy s SER 17 N -2.91 0.13 -0.05 0.00 1.04 -1.26 -1.37 113.70 109.28 3juy s SER 17 Ca 0.32 -0.29 0.05 0.00 0.48 0.00 0.00 55.95 56.52 3juy s SER 17 Cb -0.03 0.09 -0.02 0.00 0.10 0.00 0.00 66.02 66.17 3juy s SER 17 CO 0.24 -0.21 -0.20 0.54 0.98 0.00 0.00 173.24 174.59 3juy s VAL 18 N -0.96 2.54 -0.17 5.02 0.11 -0.55 -4.97 120.40 121.42 3juy s VAL 18 Ca -0.11 -0.91 0.00 0.00 -2.93 0.00 0.00 61.98 58.04 3juy s VAL 18 Cb -0.06 -1.95 0.00 0.00 -1.53 0.00 0.00 36.38 32.84 3juy s VAL 18 CO -0.00 0.58 -0.16 -0.75 -3.33 0.00 0.00 175.10 171.43 3juy s LYS 19 N -0.50 3.15 -0.17 1.54 2.20 -1.26 -1.24 119.74 123.45 3juy s LYS 19 Ca 0.06 -0.77 -0.00 0.00 -0.36 0.00 0.00 55.97 54.90 3juy s LYS 19 Cb -0.11 -2.63 0.01 0.00 -1.51 0.00 0.00 37.83 33.58 3juy s LYS 19 CO 0.01 -0.08 -0.15 0.08 -0.36 0.00 0.00 175.35 174.85 3juy s VAL 20 N 1.03 2.55 0.39 4.02 1.01 0.90 -4.96 120.40 125.33 3juy s VAL 20 Ca -0.01 -0.79 0.02 0.00 0.00 0.00 0.00 61.98 61.19 3juy s VAL 20 Cb -0.15 -2.09 -0.01 0.00 0.00 0.00 0.00 36.38 34.13 3juy s VAL 20 CO -0.04 0.51 0.58 -0.94 0.00 0.00 0.00 175.10 175.20 3juy s SER 21 N 1.09 6.01 -0.29 3.32 1.04 -1.26 -1.23 113.70 122.39 3juy s SER 21 Ca -0.00 0.22 0.02 0.00 0.48 0.00 0.00 55.95 56.67 3juy s SER 21 Cb -0.14 -1.63 0.16 0.00 0.10 0.00 0.00 66.02 64.51 3juy s SER 21 CO -0.05 -0.50 0.41 0.00 0.98 0.00 0.00 173.24 174.08 3juy s GLN 23 N 2.54 4.25 -0.06 0.00 0.74 0.12 -1.30 119.66 125.95 3juy s GLN 23 Ca 0.10 0.49 -0.02 0.00 0.05 0.00 0.00 55.36 55.97 3juy s GLN 23 Cb -0.12 -3.37 -0.04 0.00 1.10 0.00 0.00 33.01 30.57 3juy s GLN 23 CO -0.30 0.31 0.05 0.00 -0.55 0.00 0.00 175.29 174.80 3juy s ALA 24 N 0.12 3.50 0.02 1.58 0.00 0.14 -0.72 121.76 126.39 3juy s ALA 24 Ca 0.26 -0.80 -0.08 0.00 0.00 0.00 0.00 51.96 51.34 3juy s ALA 24 Cb -0.16 -1.61 0.00 0.00 0.00 0.00 0.00 23.12 21.36 3juy s ALA 24 CO 0.12 0.63 0.16 -1.54 0.00 0.00 0.00 175.76 175.13 3juy s SER 25 N -1.21 0.03 0.00 0.00 1.04 -0.73 -4.84 113.70 108.00 3juy s SER 25 Ca 0.17 -0.28 0.00 0.00 0.48 0.00 0.00 55.95 56.32 3juy s SER 25 Cb -0.12 0.24 0.00 0.00 0.10 0.00 0.00 66.02 66.24 3juy s SER 25 CO 0.07 -0.45 0.00 0.61 0.98 0.00 0.00 173.24 174.45 3juy n GLY 26 N 1.12 0.64 3.71 7.32 0.00 -1.26 -1.89 105.19 114.83 3juy n GLY 26 Ca -0.21 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.48 0.34 -0.74 1.61 -0.85 -1.26 -4.52 117.35 109.45 3juy s TYR 27 Ca 0.00 -0.83 -0.24 0.00 -0.52 0.00 0.00 57.07 55.48 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 -1.33 1.15 0.50 -1.52 0.00 0.00 175.55 174.35 3juy s ARG 28 N -3.00 3.21 0.30 -3.49 3.52 -1.26 -4.92 118.95 113.31 3juy s ARG 28 Ca 0.19 -0.65 0.01 0.00 -0.13 0.00 0.00 55.73 55.16 3juy s ARG 28 Cb -0.03 -4.34 0.72 0.00 -1.56 0.00 0.00 34.95 29.73 3juy s ARG 28 CO 0.13 -2.00 1.60 0.35 -0.81 0.00 0.00 175.30 174.57 3juy h PHE 29 N 9.75 0.08 0.00 5.12 3.57 -1.94 -1.56 116.94 131.95 3juy h PHE 29 Ca -0.22 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.34 3juy h PHE 29 Cb 1.05 0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.91 3juy h PHE 29 CO 1.08 -0.35 0.00 -1.13 -2.23 0.00 0.00 178.31 175.67 3juy n SER 30 N -5.40 0.00 -1.07 0.41 3.41 -1.26 -3.22 113.62 106.49 3juy n SER 30 Ca 0.22 -0.92 0.10 0.00 -0.26 0.00 0.00 58.87 58.01 3juy n SER 30 Cb 0.72 0.00 0.23 0.00 -0.26 0.00 0.00 64.21 64.89 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 -0.99 0.61 -3.84 7.33 8.25 -0.59 -3.33 115.22 122.67 3juy n HIS 31 Ca 0.21 -0.36 -0.21 0.00 -0.26 0.00 0.00 57.72 57.10 3juy n HIS 31 Cb 0.10 -0.01 -0.17 0.00 1.12 0.00 0.00 29.99 31.03 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 -1.19 0.55 0.41 4.41 0.08 -1.20 -5.07 117.98 115.97 3juy s PHE 32 Ca 0.37 -0.09 -0.26 0.00 0.12 0.00 0.00 56.93 57.07 3juy s PHE 32 Cb 0.21 -0.68 -0.10 0.00 -0.57 0.00 0.00 43.02 41.88 3juy s PHE 32 CO 0.28 -0.26 1.35 2.41 -0.10 0.00 0.00 175.22 178.90 3juy n THR 33 N 4.86 2.47 -4.66 0.64 -1.04 -1.26 -4.44 114.28 110.84 3juy n THR 33 Ca -0.12 -0.50 -0.33 0.00 -2.04 0.00 0.00 64.05 61.06 3juy n THR 33 Cb 0.50 -1.71 -0.15 0.00 -1.82 0.00 0.00 70.33 67.16 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 -1.17 2.86 0.45 12.58 1.01 -0.63 -1.15 120.40 134.35 3juy s VAL 34 Ca 0.59 -0.72 -0.04 0.00 0.00 0.00 0.00 61.98 61.82 3juy s VAL 34 Cb -0.49 -2.20 -0.03 0.00 0.00 0.00 0.00 36.38 33.65 3juy s VAL 34 CO 0.59 0.52 0.73 -1.00 0.00 0.00 0.00 175.10 175.94 3juy s HIS 35 N 0.59 3.52 -0.08 5.22 3.76 0.15 -1.73 115.29 126.72 3juy s HIS 35 Ca -0.08 0.67 0.02 0.00 -0.15 0.00 0.00 55.06 55.52 3juy s HIS 35 Cb -0.16 -2.22 0.02 0.00 1.11 0.00 0.00 32.58 31.33 3juy s HIS 35 CO 0.03 -0.21 -0.12 -1.58 -0.85 0.00 0.00 174.74 172.01 3juy s TRP 36 N -2.64 1.56 0.02 1.40 0.52 -0.31 -1.79 118.94 117.69 3juy s TRP 36 Ca 0.46 -0.64 -0.01 0.00 0.02 0.00 0.00 56.10 55.93 3juy s TRP 36 Cb -0.10 -1.16 -0.02 0.00 -1.15 0.00 0.00 33.47 31.04 3juy s TRP 36 CO 0.42 -0.35 -0.01 0.08 0.02 0.00 0.00 176.95 177.12 3juy s VAL 37 N 0.89 0.11 0.09 4.03 1.01 0.30 0.09 120.40 126.93 3juy s VAL 37 Ca -0.10 -0.87 -0.03 0.00 0.00 0.00 0.00 61.98 60.98 3juy s VAL 37 Cb -0.15 -0.28 -0.03 0.00 0.00 0.00 0.00 36.38 35.92 3juy s VAL 37 CO 0.01 -0.48 0.07 0.00 0.00 0.00 0.00 175.10 174.70 3juy s ARG 38 N -1.43 0.81 -0.24 2.72 1.70 -0.45 0.14 118.95 122.20 3juy s ARG 38 Ca -0.16 -1.25 -0.03 0.00 -0.47 0.00 0.00 55.73 53.82 3juy s ARG 38 Cb -0.10 0.26 0.08 0.00 -0.57 0.00 0.00 34.95 34.62 3juy s ARG 38 CO -0.01 -0.22 0.09 -1.14 -1.08 0.00 0.00 175.30 172.94 3juy s GLN 39 N -3.96 0.39 0.71 3.89 0.74 0.49 -1.00 119.66 120.91 3juy s GLN 39 Ca 0.13 -0.49 -0.15 0.00 0.05 0.00 0.00 55.36 54.91 3juy s GLN 39 Cb 0.07 -1.74 0.03 0.00 1.10 0.00 0.00 33.01 32.47 3juy s GLN 39 CO -0.05 -0.82 1.15 0.00 -0.55 0.00 0.00 175.29 175.02 3juy s ALA 40 N 1.95 2.26 -0.11 1.58 0.00 -1.26 -2.05 121.76 124.13 3juy s ALA 40 Ca 0.05 0.68 -0.37 0.00 0.00 0.00 0.00 51.96 52.32 3juy s ALA 40 Cb -0.17 -3.39 -0.14 0.00 0.00 0.00 0.00 23.12 19.42 3juy s ALA 40 CO -0.20 -1.63 1.71 -2.30 0.00 0.00 0.00 175.76 173.34 3juy n PRO 41 N -2.68 1.60 -3.92 0.00 -0.02 -1.26 -1.97 135.00 126.76 3juy n PRO 41 Ca 0.12 0.59 -0.28 0.00 -2.02 0.00 0.00 63.50 61.90 3juy n PRO 41 Cb 0.51 -2.33 0.01 0.00 -0.02 0.00 0.00 33.50 31.68 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 3.94 -0.39 3.39 -1.23 0.00 -1.26 -4.99 105.19 104.65 3juy n GLY 42 Ca 0.23 0.16 -0.19 0.00 0.00 0.00 0.00 46.02 46.22 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 -6.51 1.52 0.75 1.61 -1.52 -0.83 -5.14 119.66 109.55 3juy s GLN 43 Ca 0.40 -1.82 -0.13 0.00 -1.95 0.00 0.00 55.36 51.86 3juy s GLN 43 Cb -0.21 -0.66 0.05 0.00 -0.22 0.00 0.00 33.01 31.97 3juy s GLN 43 CO 0.85 -0.19 1.14 1.03 -0.25 0.00 0.00 175.29 177.87 3juy s ARG 44 N -3.92 2.19 0.50 2.91 0.52 -1.26 -4.69 118.95 115.19 3juy s ARG 44 Ca 0.35 1.46 -0.22 0.00 -0.52 0.00 0.00 55.73 56.80 3juy s ARG 44 Cb 0.08 -1.87 -0.08 0.00 0.52 0.00 0.00 34.95 33.60 3juy s ARG 44 CO 0.14 -1.74 1.07 1.19 0.02 0.00 0.00 175.30 175.98 3juy n PHE 45 N -3.09 1.30 -3.72 -0.53 3.01 -1.26 -4.52 117.46 108.66 3juy n PHE 45 Ca 0.11 0.49 -0.23 0.00 1.01 0.00 0.00 57.45 58.83 3juy n PHE 45 Cb 0.52 -2.23 -0.17 0.00 -0.01 0.00 0.00 39.48 37.58 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 -2.38 0.38 0.20 -1.08 2.12 -0.17 -4.51 118.70 113.26 3juy s GLU 46 Ca 0.68 0.06 -0.30 0.00 0.36 0.00 0.00 54.97 55.77 3juy s GLU 46 Cb -0.48 -1.16 -0.08 0.00 0.26 0.00 0.00 34.13 32.66 3juy s GLU 46 CO 0.53 -0.41 1.12 -0.46 -0.54 0.00 0.00 175.26 175.50 3juy s TRP 47 N 2.02 3.55 -0.18 5.30 -0.00 -1.26 -1.33 118.94 127.04 3juy s TRP 47 Ca 0.04 1.58 0.09 0.00 -0.00 0.00 0.00 56.10 57.81 3juy s TRP 47 Cb -0.13 -3.31 -0.17 0.00 -0.00 0.00 0.00 33.47 29.85 3juy s TRP 47 CO -0.06 -0.73 -0.04 -1.33 -0.00 0.00 0.00 176.95 174.79 3juy n MET 48 N 2.13 1.03 0.00 5.86 2.81 0.11 -4.75 117.12 124.31 3juy n MET 48 Ca 0.02 0.04 0.00 0.00 -1.81 0.00 0.00 57.70 55.95 3juy n MET 48 Cb 0.45 -1.41 0.00 0.00 -0.71 0.00 0.00 33.22 31.55 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 2.22 0.68 3.08 3.03 0.00 -1.21 -1.88 105.19 111.11 3juy n GLY 49 Ca -0.30 -1.41 -0.07 0.00 0.00 0.00 0.00 46.02 44.23 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 -1.83 0.45 -0.04 1.61 1.48 0.82 -1.16 118.94 120.26 3juy s TRP 50 Ca 0.00 -0.95 0.03 0.00 -1.06 0.00 0.00 56.10 54.12 3juy s TRP 50 Cb 0.00 -0.34 0.00 0.00 -1.16 0.00 0.00 33.47 31.98 3juy s TRP 50 CO 0.00 -0.36 -0.14 -1.50 -4.06 0.00 0.00 176.95 170.89 3juy s ILE 51 N -3.52 1.19 -0.48 0.66 2.07 -0.71 -0.84 121.20 119.57 3juy s ILE 51 Ca 0.03 -0.56 -0.19 0.00 -1.41 0.00 0.00 60.65 58.52 3juy s ILE 51 Cb 0.05 -1.04 0.04 0.00 0.13 0.00 0.00 42.46 41.64 3juy s ILE 51 CO -0.09 0.35 0.61 0.21 -1.91 0.00 0.00 174.94 174.11 3juy s ASN 52 N 0.24 6.25 0.41 4.50 3.84 0.44 -1.61 114.94 129.00 3juy s ASN 52 Ca -0.06 -0.72 0.28 0.00 0.21 0.00 0.00 52.86 52.57 3juy s ASN 52 Cb -0.12 -2.29 1.43 0.00 -0.55 0.00 0.00 41.25 39.72 3juy s ASN 52 CO 0.02 -0.82 1.86 -0.65 -2.79 0.00 0.00 177.10 174.73 3juy h PRO 53 N 8.93 0.00 0.06 0.43 0.11 -1.82 -0.70 132.00 139.02 3juy h PRO 53 Ca -0.27 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.68 3juy h PRO 53 Cb 1.10 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.22 3juy h PRO 53 CO 0.92 0.00 -0.67 -0.92 -0.21 0.00 0.00 178.00 177.12 3juy h TYR 54 N 0.00 0.55 0.00 0.65 3.20 -1.90 -3.38 116.97 116.09 3juy h TYR 54 Ca 0.00 -0.35 0.00 0.00 3.14 0.00 0.00 58.73 61.52 3juy h TYR 54 Cb 0.14 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.36 3juy h TYR 54 CO 0.00 1.21 0.00 0.27 -1.64 0.00 0.00 178.16 178.00 3juy n ASN 55 N -4.20 1.37 0.00 -2.11 0.23 -1.14 -5.00 115.26 104.41 3juy n ASN 55 Ca -0.12 -1.45 0.00 0.00 -0.53 0.00 0.00 54.58 52.48 3juy n ASN 55 Cb 0.73 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.43 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 -0.23 0.69 3.71 4.83 0.00 -0.28 -4.99 105.19 108.92 3juy n GLY 56 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 3juy n GLY 56 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3juy n ASN 57 N -0.06 3.10 -4.02 1.61 4.13 -1.24 -4.78 115.26 114.00 3juy n ASN 57 Ca 0.00 1.18 -0.15 0.00 1.68 0.00 0.00 54.58 57.28 3juy n ASN 57 Cb 0.03 -1.50 -0.13 0.00 -1.54 0.00 0.00 39.78 36.63 3juy n ASN 57 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 3juy s LYS 58 N -1.13 0.53 -0.09 3.52 1.02 -1.26 -0.42 119.74 121.91 3juy s LYS 58 Ca 0.61 -0.46 0.02 0.00 0.02 0.00 0.00 55.97 56.17 3juy s LYS 58 Cb -0.57 -0.44 0.01 0.00 -0.52 0.00 0.00 37.83 36.31 3juy s LYS 58 CO 0.55 0.11 -0.15 -2.00 -0.92 0.00 0.00 175.35 172.94 3juy s GLU 59 N -0.75 2.06 -0.01 1.68 2.56 -0.02 -4.97 118.70 119.24 3juy s GLU 59 Ca -0.02 -0.52 0.05 0.00 0.00 0.00 0.00 54.97 54.48 3juy s GLU 59 Cb -0.06 -1.70 -0.03 0.00 2.00 0.00 0.00 34.13 34.35 3juy s GLU 59 CO 0.00 0.01 -0.16 -0.06 -0.56 0.00 0.00 175.26 174.49 3juy s PHE 60 N 0.77 2.64 0.15 5.30 0.40 -1.26 -0.13 117.98 125.84 3juy s PHE 60 Ca -0.12 -0.21 -0.30 0.00 -0.60 0.00 0.00 56.93 55.71 3juy s PHE 60 Cb -0.16 -1.56 -0.07 0.00 0.51 0.00 0.00 43.02 41.74 3juy s PHE 60 CO 0.02 0.20 1.10 0.45 0.70 0.00 0.00 175.22 177.70 3juy s SER 61 N -1.01 7.25 0.32 1.36 0.15 -0.79 -4.91 113.70 116.06 3juy s SER 61 Ca 0.13 2.04 0.07 0.00 0.70 0.00 0.00 55.95 58.90 3juy s SER 61 Cb -0.11 -2.60 0.79 0.00 -1.71 0.00 0.00 66.02 62.39 3juy s SER 61 CO 0.03 -0.26 1.78 0.00 1.20 0.00 0.00 173.24 175.99 3juy h ALA 62 N 5.48 1.74 -0.48 5.45 0.00 -1.95 0.85 119.26 130.35 3juy h ALA 62 Ca -0.44 0.08 0.12 0.00 0.00 0.00 0.00 54.91 54.67 3juy h ALA 62 Cb 1.21 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 3juy h ALA 62 CO 0.74 -0.12 0.34 -0.22 0.00 0.00 0.00 179.25 179.99 3juy h LYS 63 N 0.72 0.09 -0.00 0.00 3.64 -1.94 -3.10 116.57 115.97 3juy h LYS 63 Ca 0.58 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.95 3juy h LYS 63 Cb 0.96 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.76 3juy h LYS 63 CO -0.37 0.06 -0.21 1.19 -2.27 0.00 0.00 179.45 177.85 3juy n PHE 64 N -4.42 0.00 -0.31 1.91 3.01 0.24 -4.74 117.46 113.14 3juy n PHE 64 Ca 0.08 0.00 0.07 0.00 1.01 0.00 0.00 57.45 58.61 3juy n PHE 64 Cb 0.49 0.00 0.22 0.00 -0.01 0.00 0.00 39.48 40.18 3juy n PHE 64 CO 0.00 0.00 0.00 0.37 1.01 0.00 0.00 176.76 178.14 3juy h GLN 65 N 0.57 0.68 -0.31 -1.08 -0.00 -1.33 -1.22 115.11 112.41 3juy h GLN 65 Ca 0.00 -0.04 -0.05 0.00 -0.00 0.00 0.00 58.65 58.56 3juy h GLN 65 Cb 0.22 -0.15 -0.02 0.00 0.00 0.00 0.00 27.48 27.53 3juy h GLN 65 CO 0.00 0.45 -0.02 0.22 0.00 0.00 0.00 178.83 179.48 3juy h ASP 66 N 0.70 0.46 -0.01 -0.69 -0.00 -1.85 -3.34 116.42 111.69 3juy h ASP 66 Ca 0.46 -0.09 0.00 0.00 -0.00 0.00 0.00 57.03 57.40 3juy h ASP 66 Cb 0.60 -0.12 0.00 0.00 -0.00 0.00 0.00 39.33 39.81 3juy h ASP 66 CO -0.33 0.55 0.00 0.54 -0.00 0.00 0.00 179.24 180.00 3juy n ARG 67 N -4.27 -0.03 -4.28 0.28 1.74 -0.53 -5.00 116.66 104.56 3juy n ARG 67 Ca 0.01 -0.91 -0.20 0.00 -0.77 0.00 0.00 57.85 55.99 3juy n ARG 67 Cb 0.25 -1.13 -0.13 0.00 -1.02 0.00 0.00 32.46 30.44 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 -0.55 1.16 -0.01 1.55 0.11 -0.81 -1.39 120.40 120.46 3juy s VAL 68 Ca 0.08 -1.16 0.00 0.00 -2.93 0.00 0.00 61.98 57.97 3juy s VAL 68 Cb 0.05 -1.08 0.01 0.00 -1.53 0.00 0.00 36.38 33.84 3juy s VAL 68 CO 0.08 -0.09 0.00 0.28 -3.33 0.00 0.00 175.10 172.05 3juy s THR 69 N -1.04 0.04 -0.10 5.04 -1.32 -0.66 -4.87 115.64 112.72 3juy s THR 69 Ca 0.01 0.06 -0.01 0.00 -1.21 0.00 0.00 61.69 60.54 3juy s THR 69 Cb -0.09 -0.09 -0.03 0.00 -1.51 0.00 0.00 72.50 70.78 3juy s THR 69 CO 0.02 0.05 -0.07 -0.36 -2.21 0.00 0.00 174.62 172.05 3juy s PHE 70 N 0.43 2.94 0.12 9.09 0.40 -1.26 -1.59 117.98 128.12 3juy s PHE 70 Ca -0.04 -0.18 0.00 0.00 -0.60 0.00 0.00 56.93 56.11 3juy s PHE 70 Cb -0.06 -1.81 -0.04 0.00 0.51 0.00 0.00 43.02 41.62 3juy s PHE 70 CO -0.01 0.13 -0.00 0.95 0.70 0.00 0.00 175.22 176.99 3juy s THR 71 N -0.26 0.43 0.06 0.64 -4.23 -0.76 -5.00 115.64 106.52 3juy s THR 71 Ca 0.04 -1.92 0.01 0.00 -1.18 0.00 0.00 61.69 58.63 3juy s THR 71 Cb -0.13 -1.91 -0.03 0.00 1.34 0.00 0.00 72.50 71.77 3juy s THR 71 CO 0.03 -0.64 -0.05 0.00 -0.54 0.00 0.00 174.62 173.41 3juy s ALA 72 N -3.81 0.62 -0.34 3.99 0.00 -1.26 -0.47 121.76 120.48 3juy s ALA 72 Ca 0.19 -1.06 -0.00 0.00 0.00 0.00 0.00 51.96 51.09 3juy s ALA 72 Cb 0.07 0.16 0.14 0.00 0.00 0.00 0.00 23.12 23.49 3juy s ALA 72 CO -0.01 -0.21 0.23 0.34 0.00 0.00 0.00 175.76 176.11 3juy s ASP 73 N -2.43 2.70 0.51 0.00 -1.08 -0.05 -4.98 116.67 111.34 3juy s ASP 73 Ca 0.01 -1.87 0.33 0.00 -0.52 0.00 0.00 52.55 50.50 3juy s ASP 73 Cb 0.00 -0.18 1.39 0.00 -1.46 0.00 0.00 42.92 42.67 3juy s ASP 73 CO -0.04 -0.33 1.97 0.71 0.52 0.00 0.00 175.17 178.00 3juy h THR 74 N 5.31 0.00 0.02 1.71 1.35 -1.93 -1.27 112.91 118.09 3juy h THR 74 Ca 0.01 -0.42 -0.22 0.00 -0.55 0.00 0.00 66.41 65.24 3juy h THR 74 Cb 1.00 1.36 -0.02 0.00 -1.73 0.00 0.00 68.15 68.75 3juy h THR 74 CO 0.28 0.00 -1.02 0.28 -0.25 0.00 0.00 175.52 174.81 3juy h SER 75 N 0.00 0.06 0.07 5.36 0.02 -1.95 -3.15 113.55 113.96 3juy h SER 75 Ca 0.00 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 3juy h SER 75 Cb 0.44 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.96 3juy h SER 75 CO 0.00 1.04 -0.08 0.00 -1.14 0.00 0.00 176.83 176.65 3juy n ALA 76 N -2.38 2.73 -3.75 3.77 0.00 -0.57 -4.94 120.51 115.37 3juy n ALA 76 Ca -0.01 -0.43 -0.29 0.00 0.00 0.00 0.00 53.44 52.71 3juy n ALA 76 Cb 0.94 -1.16 0.02 0.00 0.00 0.00 0.00 19.45 19.24 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 -0.10 -4.65 -4.02 0.00 4.13 -0.65 -4.73 115.26 105.25 3juy n ASN 77 Ca 0.17 -0.67 -0.21 0.00 1.68 0.00 0.00 54.58 55.55 3juy n ASN 77 Cb 0.35 -3.74 -0.16 0.00 -1.54 0.00 0.00 39.78 34.70 3juy n ASN 77 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 3juy s THR 78 N -3.21 0.88 -0.00 3.41 2.01 -0.98 0.24 115.64 117.99 3juy s THR 78 Ca 0.59 -0.41 0.02 0.00 0.31 0.00 0.00 61.69 62.20 3juy s THR 78 Cb -0.30 -0.78 -0.03 0.00 0.01 0.00 0.00 72.50 71.39 3juy s THR 78 CO 0.73 0.27 -0.04 0.00 -0.69 0.00 0.00 174.62 174.89 3juy s ALA 79 N 0.20 3.12 0.09 7.40 0.00 -0.42 -0.87 121.76 131.27 3juy s ALA 79 Ca -0.04 -0.98 0.09 0.00 0.00 0.00 0.00 51.96 51.03 3juy s ALA 79 Cb -0.09 -1.22 -0.03 0.00 0.00 0.00 0.00 23.12 21.77 3juy s ALA 79 CO 0.01 0.62 -0.23 0.71 0.00 0.00 0.00 175.76 176.87 3juy s TYR 80 N -1.02 2.01 -0.02 0.00 1.51 0.38 -0.79 117.35 119.43 3juy s TYR 80 Ca 0.18 -0.40 0.01 0.00 -1.01 0.00 0.00 57.07 55.85 3juy s TYR 80 Cb -0.11 -1.14 0.01 0.00 -0.11 0.00 0.00 41.96 40.61 3juy s TYR 80 CO 0.08 0.20 -0.03 1.41 -1.11 0.00 0.00 175.55 176.10 3juy s MET 81 N -1.66 0.42 -0.07 -0.62 1.75 -0.36 -1.84 119.30 116.93 3juy s MET 81 Ca 0.09 -0.09 0.01 0.00 -1.25 0.00 0.00 55.69 54.45 3juy s MET 81 Cb -0.10 -0.46 0.02 0.00 2.84 0.00 0.00 34.83 37.13 3juy s MET 81 CO 0.04 0.01 -0.07 -2.00 -0.65 0.00 0.00 175.02 172.35 3juy s GLU 82 N 0.33 1.24 -0.05 4.11 2.12 -0.62 -0.07 118.70 125.77 3juy s GLU 82 Ca -0.03 -0.22 0.01 0.00 0.36 0.00 0.00 54.97 55.09 3juy s GLU 82 Cb -0.07 -1.18 -0.03 0.00 0.26 0.00 0.00 34.13 33.11 3juy s GLU 82 CO -0.00 -0.09 -0.05 -1.17 -0.54 0.00 0.00 175.26 173.40 3juy s LEU 83 N 1.05 3.26 0.36 2.70 2.96 -0.37 -1.66 118.68 126.98 3juy s LEU 83 Ca -0.08 -0.03 0.09 0.00 -0.22 0.00 0.00 54.13 53.89 3juy s LEU 83 Cb -0.14 -1.77 -0.07 0.00 0.50 0.00 0.00 46.19 44.71 3juy s LEU 83 CO -0.00 0.34 -0.07 0.00 -1.32 0.00 0.00 176.35 175.29 3juy s ARG 84 N -1.05 1.86 -1.27 1.98 1.70 -0.49 -1.49 118.95 120.20 3juy s ARG 84 Ca 0.14 -1.97 -0.01 0.00 -0.47 0.00 0.00 55.73 53.43 3juy s ARG 84 Cb -0.11 -1.70 0.00 0.00 -0.57 0.00 0.00 34.95 32.57 3juy s ARG 84 CO 0.04 0.10 0.85 0.43 -1.08 0.00 0.00 175.30 175.64 3juy n SER 85 N -0.84 -1.83 -4.65 -2.89 7.64 -0.76 -4.88 113.62 105.40 3juy n SER 85 Ca -0.05 -0.72 -0.42 0.00 1.01 0.00 0.00 58.87 58.68 3juy n SER 85 Cb 0.64 -4.54 0.00 0.00 -1.01 0.00 0.00 64.21 59.30 3juy n SER 85 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3juy n LEU 86 N -4.25 2.97 -4.33 -3.43 4.77 -0.47 -4.64 117.00 107.61 3juy n LEU 86 Ca -0.27 1.13 -0.18 0.00 -0.03 0.00 0.00 56.01 56.66 3juy n LEU 86 Cb 0.67 -1.41 -0.10 0.00 -2.33 0.00 0.00 43.42 40.25 3juy n LEU 86 CO 0.65 -1.01 -0.24 0.00 -1.33 0.00 0.00 177.39 175.47 3juy s ARG 87 N -1.91 1.49 0.34 3.23 1.70 -1.26 -1.06 118.95 121.48 3juy s ARG 87 Ca 0.59 -1.83 0.08 0.00 -0.47 0.00 0.00 55.73 54.10 3juy s ARG 87 Cb -0.58 -0.24 0.77 0.00 -0.57 0.00 0.00 34.95 34.32 3juy s ARG 87 CO 0.59 -0.34 1.87 0.77 -1.08 0.00 0.00 175.30 177.11 3juy h SER 88 N 2.30 0.70 0.00 -2.89 0.02 -1.82 -0.36 113.55 111.50 3juy h SER 88 Ca -0.37 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.62 3juy h SER 88 Cb 1.25 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.69 3juy h SER 88 CO 0.58 0.36 0.00 0.00 -1.14 0.00 0.00 176.83 176.64 3juy n ALA 89 N -2.42 2.02 0.98 3.77 0.00 -1.26 -1.97 120.51 121.64 3juy n ALA 89 Ca 0.17 -0.06 0.12 0.00 0.00 0.00 0.00 53.44 53.67 3juy n ALA 89 Cb 0.44 -1.15 0.08 0.00 0.00 0.00 0.00 19.45 18.82 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 -0.82 2.82 -4.61 0.00 8.00 -0.15 -4.85 116.55 116.95 3juy n ASP 90 Ca 0.07 -1.91 -0.43 0.00 0.71 0.00 0.00 54.79 53.23 3juy n ASP 90 Cb 0.03 0.07 -0.03 0.00 -0.02 0.00 0.00 41.12 41.17 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 -2.03 3.05 0.27 -3.53 2.01 -0.83 -4.84 115.64 109.74 3juy s THR 91 Ca 0.26 0.05 -0.20 0.00 0.31 0.00 0.00 61.69 62.11 3juy s THR 91 Cb 0.19 -3.06 0.06 0.00 0.01 0.00 0.00 72.50 69.70 3juy s THR 91 CO 0.33 -0.03 0.89 0.00 -0.69 0.00 0.00 174.62 175.12 3juy s ALA 92 N 7.81 -1.23 -0.15 7.40 0.00 -0.95 -4.10 121.76 130.53 3juy s ALA 92 Ca 0.98 -0.42 -0.11 0.00 0.00 0.00 0.00 51.96 52.41 3juy s ALA 92 Cb -0.33 0.72 -0.05 0.00 0.00 0.00 0.00 23.12 23.46 3juy s ALA 92 CO 0.36 -1.03 0.20 0.08 0.00 0.00 0.00 175.76 175.36 3juy s VAL 93 N -2.63 5.38 -0.26 0.00 1.01 -0.87 -1.83 120.40 121.20 3juy s VAL 93 Ca 0.16 0.34 -0.07 0.00 0.00 0.00 0.00 61.98 62.41 3juy s VAL 93 Cb -0.04 -3.51 -0.02 0.00 0.00 0.00 0.00 36.38 32.81 3juy s VAL 93 CO 0.07 0.48 0.08 -0.31 0.00 0.00 0.00 175.10 175.42 3juy s TYR 94 N -0.07 3.10 0.02 5.22 1.51 -0.09 -0.38 117.35 126.65 3juy s TYR 94 Ca 0.13 -0.52 0.04 0.00 -1.01 0.00 0.00 57.07 55.71 3juy s TYR 94 Cb -0.12 -2.25 -0.03 0.00 -0.11 0.00 0.00 41.96 39.45 3juy s TYR 94 CO 0.02 -0.40 -0.07 0.71 -1.11 0.00 0.00 175.55 174.70 3juy s TYR 95 N 1.60 2.86 0.17 2.71 2.02 0.36 -1.92 117.35 125.15 3juy s TYR 95 Ca 0.06 -0.06 0.05 0.00 -0.37 0.00 0.00 57.07 56.74 3juy s TYR 95 Cb -0.15 -1.58 -0.04 0.00 -0.40 0.00 0.00 41.96 39.79 3juy s TYR 95 CO 0.03 0.38 0.18 0.00 -1.57 0.00 0.00 175.55 174.57 3juy s ALA 97 N -1.78 -1.29 0.09 0.00 0.00 -0.74 -0.98 121.76 117.06 3juy s ALA 97 Ca 0.32 1.58 -0.13 0.00 0.00 0.00 0.00 51.96 53.73 3juy s ALA 97 Cb -0.10 -0.93 -0.06 0.00 0.00 0.00 0.00 23.12 22.03 3juy s ALA 97 CO 0.25 -0.26 0.46 0.50 0.00 0.00 0.00 175.76 176.71 3juy s ARG 98 N 0.69 3.89 1.12 0.00 3.52 0.46 0.32 118.95 128.95 3juy s ARG 98 Ca -0.03 0.36 -0.15 0.00 -0.13 0.00 0.00 55.73 55.78 3juy s ARG 98 Cb -0.05 -3.03 0.25 0.00 -1.56 0.00 0.00 34.95 30.56 3juy s ARG 98 CO -0.05 0.56 1.07 0.14 -0.81 0.00 0.00 175.30 176.22 3juy s VAL 99 N -1.34 1.84 0.74 7.11 -7.23 -0.30 -0.94 120.40 120.28 3juy s VAL 99 Ca 0.32 0.00 -0.09 0.00 -1.81 0.00 0.00 61.98 60.41 3juy s VAL 99 Cb -0.15 -2.38 0.06 0.00 0.56 0.00 0.00 36.38 34.47 3juy s VAL 99 CO 0.18 0.00 1.07 -0.83 -0.31 0.00 0.00 175.10 175.21 3juy s GLY 100 N -3.36 1.65 0.56 2.32 0.00 0.51 -4.57 107.32 104.43 3juy s GLY 100 Ca 0.68 -0.80 -0.20 0.00 0.00 0.00 0.00 44.72 44.40 3juy s GLY 100 CO 0.59 -0.37 1.20 -0.54 0.00 0.00 0.00 173.10 173.97 3juy s GLU 101 N -5.36 3.19 0.11 2.90 2.02 -1.26 -4.87 118.70 115.43 3juy s GLU 101 Ca 0.60 1.80 -0.31 0.00 0.02 0.00 0.00 54.97 57.09 3juy s GLU 101 Cb -0.11 -2.04 -0.07 0.00 0.10 0.00 0.00 34.13 32.00 3juy s GLU 101 CO 0.46 -1.03 1.34 -0.46 0.02 0.00 0.00 175.26 175.60 3juy s TRP 102 N -1.60 3.29 0.32 1.61 -0.00 -1.26 -4.79 118.94 116.51 3juy s TRP 102 Ca 0.74 1.06 -0.02 0.00 -0.00 0.00 0.00 56.10 57.88 3juy s TRP 102 Cb -0.29 -3.62 -0.04 0.00 -0.00 0.00 0.00 33.47 29.52 3juy s TRP 102 CO 0.33 -2.09 0.55 0.20 -0.00 0.00 0.00 176.95 175.94 3juy s GLY 103 N 1.01 1.56 0.07 5.86 0.00 -1.26 -5.04 107.32 109.52 3juy s GLY 103 Ca 0.62 -0.77 -0.22 0.00 0.00 0.00 0.00 44.72 44.35 3juy s GLY 103 CO 0.31 -0.69 1.63 1.49 0.00 0.00 0.00 173.10 175.83 3juy h TRP 104 N 1.15 0.12 -2.90 1.90 6.55 -2.04 -3.26 115.95 117.47 3juy h TRP 104 Ca -0.49 -0.01 -0.75 0.00 0.95 0.00 0.00 58.89 58.59 3juy h TRP 104 Cb 1.21 -0.04 -0.32 0.00 -0.86 0.00 0.00 29.16 29.15 3juy h TRP 104 CO 0.54 0.21 0.37 -3.47 -1.05 0.00 0.00 178.44 175.04 3juy n ASP 105 N -4.95 5.53 -4.05 -3.49 4.64 -1.26 -5.02 116.55 107.95 3juy n ASP 105 Ca -0.06 -3.34 -0.25 0.00 -1.38 0.00 0.00 54.79 49.76 3juy n ASP 105 Cb 0.10 -1.14 -0.17 0.00 -1.04 0.00 0.00 41.12 38.87 3juy n ASP 105 CO 0.00 0.00 0.00 -1.81 -0.82 0.00 0.00 177.20 174.57 3juy s ASP 106 N -1.34 1.90 0.75 1.67 1.11 -1.23 -5.13 116.67 114.40 3juy s ASP 106 Ca 0.32 -0.32 -0.12 0.00 0.18 0.00 0.00 52.55 52.62 3juy s ASP 106 Cb 0.03 -0.85 0.04 0.00 1.07 0.00 0.00 42.92 43.22 3juy s ASP 106 CO 0.03 0.05 1.11 -0.44 1.18 0.00 0.00 175.17 177.10 3juy s SER 107 N 0.59 4.99 0.23 0.27 0.01 -1.26 -4.96 113.70 113.57 3juy s SER 107 Ca -0.14 1.15 -0.32 0.00 1.31 0.00 0.00 55.95 57.95 3juy s SER 107 Cb -0.16 -1.89 -0.12 0.00 0.21 0.00 0.00 66.02 64.06 3juy s SER 107 CO 0.04 -1.64 1.65 -2.65 0.41 0.00 0.00 173.24 171.06 3juy n PRO 108 N -3.20 2.64 -0.96 12.44 -0.02 -1.26 -2.38 135.00 142.27 3juy n PRO 108 Ca 0.07 0.95 0.00 0.00 -2.02 0.00 0.00 63.50 62.50 3juy n PRO 108 Cb 0.57 -2.76 0.00 0.00 -0.02 0.00 0.00 33.50 31.29 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 3.24 0.00 0.29 6.00 4.01 -1.26 -4.94 117.16 124.51 3juy n TYR 109 Ca 0.14 0.00 0.17 0.00 -0.16 0.00 0.00 57.90 58.05 3juy n TYR 109 Cb 0.34 0.00 0.71 0.00 -0.31 0.00 0.00 39.34 40.09 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 -0.72 7.72 3.45 -1.84 -2.67 116.42 122.37 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 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 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 -3.01 4.11 -1.61 6.45 6.94 -1.26 -4.61 115.26 122.28 3juy n ASN 111 Ca 0.00 -2.08 -0.12 0.00 -0.02 0.00 0.00 54.58 52.36 3juy n ASN 111 Cb 0.28 -0.51 0.07 0.00 -2.36 0.00 0.00 39.78 37.26 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 1.54 1.38 -2.12 -2.53 4.02 -1.01 -0.36 117.16 118.09 3juy n TYR 112 Ca 0.25 -1.25 -0.27 0.00 -0.01 0.00 0.00 57.90 56.62 3juy n TYR 112 Cb 0.67 -0.63 0.12 0.00 -0.02 0.00 0.00 39.34 39.48 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 -1.51 2.29 -0.78 -0.72 1.13 -1.26 -4.66 117.35 111.84 3juy s TYR 113 Ca 0.26 0.34 -0.19 0.00 -1.41 0.00 0.00 57.07 56.07 3juy s TYR 113 Cb 0.22 -3.52 0.12 0.00 -1.10 0.00 0.00 41.96 37.68 3juy s TYR 113 CO 0.04 -1.92 0.95 -1.64 -2.51 0.00 0.00 175.55 170.46 3juy s MET 114 N -5.50 3.36 0.03 -3.49 -1.94 -1.26 -3.92 119.30 106.59 3juy s MET 114 Ca 0.66 -1.55 -0.07 0.00 -1.71 0.00 0.00 55.69 53.02 3juy s MET 114 Cb -0.08 -4.56 -0.30 0.00 2.01 0.00 0.00 34.83 31.90 3juy s MET 114 CO 0.48 -1.67 0.97 0.22 -0.01 0.00 0.00 175.02 175.01 3juy h ASP 115 N 8.95 0.53 -3.55 3.03 3.58 -1.28 -3.41 116.42 124.26 3juy h ASP 115 Ca -0.05 -0.63 -0.37 0.00 0.42 0.00 0.00 57.03 56.39 3juy h ASP 115 Cb 1.05 -0.17 -0.33 0.00 1.72 0.00 0.00 39.33 41.60 3juy h ASP 115 CO 1.08 1.51 -0.76 -0.69 -2.88 0.00 0.00 179.24 177.50 3juy s VAL 116 N -2.62 0.41 0.14 2.25 1.01 -1.13 -4.49 120.40 115.97 3juy s VAL 116 Ca -0.08 -0.08 0.07 0.00 0.00 0.00 0.00 61.98 61.89 3juy s VAL 116 Cb 0.06 -0.44 -0.04 0.00 0.00 0.00 0.00 36.38 35.96 3juy s VAL 116 CO 0.88 0.18 -0.07 0.26 0.00 0.00 0.00 175.10 176.36 3juy s TRP 117 N 0.75 2.76 0.75 5.22 0.52 -1.26 -0.41 118.94 127.27 3juy s TRP 117 Ca -0.09 -0.16 -0.09 0.00 0.02 0.00 0.00 56.10 55.79 3juy s TRP 117 Cb -0.12 -1.39 0.07 0.00 -1.15 0.00 0.00 33.47 30.88 3juy s TRP 117 CO -0.00 0.47 1.08 0.20 0.02 0.00 0.00 176.95 178.72 3juy s GLY 118 N -2.55 1.66 0.31 0.98 0.00 -0.16 -4.63 107.32 102.94 3juy s GLY 118 Ca 0.24 -0.85 0.26 0.00 0.00 0.00 0.00 44.72 44.37 3juy s GLY 118 CO 0.16 -0.40 1.75 0.50 0.00 0.00 0.00 173.10 175.11 3juy h LYS 119 N -0.78 0.00 0.00 2.90 1.57 -1.90 -3.42 116.57 114.94 3juy h LYS 119 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 3juy h LYS 119 Cb 1.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.63 3juy h LYS 119 CO 0.61 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.90 3juy n GLY 120 N 0.81 2.56 2.89 3.86 0.00 -1.26 -4.55 105.19 109.49 3juy n GLY 120 Ca 0.04 -1.90 -0.23 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 -2.88 0.74 -0.14 2.61 2.01 -0.81 -4.87 115.64 112.30 3juy s THR 121 Ca 0.00 -0.17 -0.22 0.00 0.31 0.00 0.00 61.69 61.60 3juy s THR 121 Cb 0.00 -0.77 -0.03 0.00 0.01 0.00 0.00 72.50 71.71 3juy s THR 121 CO 0.00 0.30 0.68 -0.89 -0.69 0.00 0.00 174.62 174.02 3juy s THR 122 N 1.34 5.02 -0.18 -0.82 2.01 -1.26 -0.91 115.64 120.83 3juy s THR 122 Ca -0.03 1.34 -0.01 0.00 0.31 0.00 0.00 61.69 63.29 3juy s THR 122 Cb -0.14 -4.00 0.00 0.00 0.01 0.00 0.00 72.50 68.37 3juy s THR 122 CO -0.03 0.16 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.25 3juy s VAL 123 N 1.49 2.80 -0.23 3.82 1.01 -0.76 -1.54 120.40 126.99 3juy s VAL 123 Ca 0.33 -0.70 -0.06 0.00 0.00 0.00 0.00 61.98 61.55 3juy s VAL 123 Cb -0.16 -2.22 -0.03 0.00 0.00 0.00 0.00 36.38 33.97 3juy s VAL 123 CO 0.13 0.49 0.04 -0.63 0.00 0.00 0.00 175.10 175.13 3juy s ILE 124 N 1.14 4.20 -0.64 2.22 -1.09 -0.99 -2.25 121.20 123.78 3juy s ILE 124 Ca 0.01 -0.22 -0.17 0.00 -2.23 0.00 0.00 60.65 58.04 3juy s ILE 124 Cb -0.14 -2.94 0.14 0.00 -1.58 0.00 0.00 42.46 37.94 3juy s ILE 124 CO -0.04 0.38 0.68 -0.69 -1.23 0.00 0.00 174.94 174.04 3juy s VAL 125 N 1.33 5.09 -0.89 2.92 1.01 -1.26 -0.89 120.40 127.70 3juy s VAL 125 Ca 0.05 -1.47 -0.25 0.00 0.00 0.00 0.00 61.98 60.31 3juy s VAL 125 Cb -0.15 -4.46 -0.08 0.00 0.00 0.00 0.00 36.38 31.69 3juy s VAL 125 CO 0.02 -1.05 2.09 -0.94 0.00 0.00 0.00 175.10 175.22 3juy s SER 126 N 3.36 4.72 0.00 3.32 1.04 -0.24 -4.62 113.70 121.27 3juy s SER 126 Ca 0.11 -0.53 0.00 0.00 0.48 0.00 0.00 55.95 56.01 3juy s SER 126 Cb -0.22 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.34 3juy s SER 126 CO 0.01 -3.16 0.00 -0.24 0.98 0.00 0.00 173.24 170.83 3juy n SER 127 N 15.55 -0.98 0.00 7.02 2.88 -1.26 -4.32 113.62 132.51 3juy n SER 127 Ca 0.42 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.96 3juy n SER 127 Cb 0.46 -0.49 0.00 0.00 -0.75 0.00 0.00 64.21 63.43 3juy n SER 127 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 3juy n SER 142 N -0.41 0.00 -4.84 -3.46 3.41 -1.26 -4.46 113.62 102.59 3juy n SER 142 Ca 0.00 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.28 3juy n SER 142 Cb 0.17 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.06 3juy n SER 142 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3juy s GLU 143 N 0.00 4.03 0.17 4.33 2.02 -1.26 -5.05 118.70 122.94 3juy s GLU 143 Ca 0.00 0.69 -0.30 0.00 0.02 0.00 0.00 54.97 55.38 3juy s GLU 143 Cb 0.00 -2.50 -0.08 0.00 0.10 0.00 0.00 34.13 31.65 3juy s GLU 143 CO 0.00 0.19 1.19 0.42 0.02 0.00 0.00 175.26 177.08 3juy s ILE 144 N -1.91 3.65 -0.10 -1.63 1.01 -1.26 -4.94 121.20 116.01 3juy s ILE 144 Ca 0.52 1.37 -0.00 0.00 0.00 0.00 0.00 60.65 62.54 3juy s ILE 144 Cb -0.11 -3.87 0.02 0.00 0.01 0.00 0.00 42.46 38.51 3juy s ILE 144 CO 0.18 0.21 -0.07 -0.69 0.00 0.00 0.00 174.94 174.56 3juy s VAL 145 N 0.04 0.98 -0.03 2.92 1.01 -1.26 -4.96 120.40 119.10 3juy s VAL 145 Ca 0.53 -0.28 -0.19 0.00 0.00 0.00 0.00 61.98 62.04 3juy s VAL 145 Cb -0.32 -1.00 -0.05 0.00 0.00 0.00 0.00 36.38 35.01 3juy s VAL 145 CO 0.36 0.36 0.54 -0.76 0.00 0.00 0.00 175.10 175.59 3juy s LEU 146 N 1.60 4.39 -0.18 3.92 1.43 -1.26 -2.56 118.68 126.02 3juy s LEU 146 Ca 0.03 1.04 0.00 0.00 -1.03 0.00 0.00 54.13 54.17 3juy s LEU 146 Cb -0.13 -2.82 0.04 0.00 0.03 0.00 0.00 46.19 43.31 3juy s LEU 146 CO -0.07 0.10 -0.10 -0.89 0.23 0.00 0.00 176.35 175.63 3juy s THR 147 N -0.08 1.47 0.25 5.49 2.01 -0.38 -4.44 115.64 119.97 3juy s THR 147 Ca 0.29 -0.81 -0.05 0.00 0.31 0.00 0.00 61.69 61.42 3juy s THR 147 Cb -0.17 -1.54 -0.05 0.00 0.01 0.00 0.00 72.50 70.75 3juy s THR 147 CO 0.15 0.22 0.52 -1.10 -0.69 0.00 0.00 174.62 173.71 3juy s GLN 148 N 1.49 3.65 -0.18 4.92 -0.21 -1.26 -1.05 119.66 127.00 3juy s GLN 148 Ca 0.01 0.00 -0.18 0.00 0.02 0.00 0.00 55.36 55.21 3juy s GLN 148 Cb -0.15 -2.69 0.05 0.00 1.00 0.00 0.00 33.01 31.22 3juy s GLN 148 CO -0.09 0.28 0.50 0.00 -2.12 0.00 0.00 175.29 173.86 3juy s ALA 149 N -1.97 -1.24 0.81 6.09 0.00 -0.75 -4.56 121.76 120.14 3juy s ALA 149 Ca 0.44 1.39 -0.09 0.00 0.00 0.00 0.00 51.96 53.70 3juy s ALA 149 Cb -0.11 -0.79 0.14 0.00 0.00 0.00 0.00 23.12 22.36 3juy s ALA 149 CO 0.28 -0.24 1.13 -1.25 0.00 0.00 0.00 175.76 175.68 3juy s PRO 150 N 0.21 1.43 0.42 0.00 0.05 -1.26 -1.53 135.00 134.32 3juy s PRO 150 Ca -0.00 -0.56 0.08 0.00 0.05 0.00 0.00 61.00 60.57 3juy s PRO 150 Cb -0.03 -2.09 0.90 0.00 0.05 0.00 0.00 34.50 33.33 3juy s PRO 150 CO 0.01 -1.77 2.06 0.78 0.05 0.00 0.00 177.00 178.13 3juy h GLY 151 N -1.00 0.48 -4.13 0.56 0.00 -1.86 -3.42 103.07 93.71 3juy h GLY 151 Ca -0.42 -0.19 -0.12 0.00 0.00 0.00 0.00 47.33 46.60 3juy h GLY 151 CO 0.46 0.18 -0.43 -1.59 0.00 0.00 0.00 176.54 175.16 3juy s THR 152 N -5.37 0.11 -0.20 4.70 2.01 -1.26 -0.68 115.64 114.95 3juy s THR 152 Ca -0.08 -0.88 -0.04 0.00 0.31 0.00 0.00 61.69 61.00 3juy s THR 152 Cb 0.17 -0.81 0.08 0.00 0.01 0.00 0.00 72.50 71.95 3juy s THR 152 CO 0.72 -0.49 0.17 -0.22 -0.69 0.00 0.00 174.62 174.11 3juy s LEU 153 N -1.94 0.10 -0.92 4.42 0.20 0.26 -4.92 118.68 115.88 3juy s LEU 153 Ca -0.07 -0.44 0.00 0.00 0.69 0.00 0.00 54.13 54.31 3juy s LEU 153 Cb -0.02 0.11 0.32 0.00 -0.43 0.00 0.00 46.19 46.16 3juy s LEU 153 CO -0.03 -0.34 1.49 -0.24 -0.29 0.00 0.00 176.35 176.94 3juy n SER 154 N 5.30 6.30 -4.75 3.68 2.88 -1.26 -1.34 113.62 124.43 3juy n SER 154 Ca -0.06 -3.61 -0.23 0.00 -1.33 0.00 0.00 58.87 53.65 3juy n SER 154 Cb 0.49 -1.03 0.10 0.00 -0.75 0.00 0.00 64.21 63.01 3juy n SER 154 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 3juy s LEU 155 N -3.67 3.02 0.11 2.46 1.43 -1.09 -4.38 118.68 116.56 3juy s LEU 155 Ca 0.39 -0.43 0.07 0.00 -1.03 0.00 0.00 54.13 53.13 3juy s LEU 155 Cb 0.17 -1.96 -0.04 0.00 0.03 0.00 0.00 46.19 44.40 3juy s LEU 155 CO -0.07 -1.74 -0.17 -0.44 0.23 0.00 0.00 176.35 174.16 3juy s SER 156 N -4.71 2.21 0.12 2.29 0.01 -1.26 0.83 113.70 113.19 3juy s SER 156 Ca 0.65 -0.72 -0.23 0.00 1.31 0.00 0.00 55.95 56.96 3juy s SER 156 Cb -0.06 -0.10 -0.13 0.00 0.21 0.00 0.00 66.02 65.94 3juy s SER 156 CO 0.43 -0.04 0.48 -2.65 0.41 0.00 0.00 173.24 171.87 3juy n PRO 157 N 0.88 0.00 0.00 12.44 -0.02 -1.26 -2.16 135.00 144.89 3juy n PRO 157 Ca -0.18 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.30 3juy n PRO 157 Cb 0.55 -0.84 0.00 0.00 -0.02 0.00 0.00 33.50 33.19 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 1.45 3.25 3.95 -1.23 0.00 -0.36 -4.91 105.19 107.35 3juy n GLY 158 Ca 0.14 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.56 0.74 -0.15 1.61 2.02 -0.92 -4.37 118.70 117.08 3juy s GLU 159 Ca 0.00 -0.63 -0.07 0.00 0.02 0.00 0.00 54.97 54.28 3juy s GLU 159 Cb 0.00 -1.95 -0.04 0.00 0.10 0.00 0.00 34.13 32.24 3juy s GLU 159 CO 0.00 -2.28 0.10 0.50 0.02 0.00 0.00 175.26 173.60 3juy s ARG 160 N -5.75 3.71 -0.04 1.61 3.52 -1.26 -1.36 118.95 119.37 3juy s ARG 160 Ca 0.74 -0.23 0.06 0.00 -0.13 0.00 0.00 55.73 56.17 3juy s ARG 160 Cb -0.03 -3.21 -0.02 0.00 -1.56 0.00 0.00 34.95 30.13 3juy s ARG 160 CO 0.51 0.53 -0.24 0.00 -0.81 0.00 0.00 175.30 175.30 3juy s ALA 161 N -0.33 2.23 -0.07 6.12 0.00 -0.95 -5.02 121.76 123.74 3juy s ALA 161 Ca 0.10 -1.07 -0.00 0.00 0.00 0.00 0.00 51.96 50.99 3juy s ALA 161 Cb -0.12 -0.67 0.03 0.00 0.00 0.00 0.00 23.12 22.36 3juy s ALA 161 CO 0.01 0.48 -0.02 0.99 0.00 0.00 0.00 175.76 177.22 3juy s THR 162 N -0.41 0.48 -0.16 0.00 2.01 -1.26 -2.00 115.64 114.31 3juy s THR 162 Ca 0.04 0.01 -0.04 0.00 0.31 0.00 0.00 61.69 62.01 3juy s THR 162 Cb -0.12 -0.58 -0.03 0.00 0.01 0.00 0.00 72.50 71.79 3juy s THR 162 CO 0.01 0.26 -0.04 -0.36 -0.69 0.00 0.00 174.62 173.80 3juy s PHE 163 N 1.60 3.01 -0.04 4.92 0.08 -0.07 -4.74 117.98 122.75 3juy s PHE 163 Ca -0.00 -0.35 -0.02 0.00 0.12 0.00 0.00 56.93 56.68 3juy s PHE 163 Cb -0.13 -1.96 -0.04 0.00 -0.57 0.00 0.00 43.02 40.32 3juy s PHE 163 CO -0.04 -0.08 0.08 -1.12 -0.10 0.00 0.00 175.22 173.96 3juy s SER 164 N 0.44 5.72 -0.06 1.36 0.01 -0.58 -1.58 113.70 119.01 3juy s SER 164 Ca -0.04 0.20 -0.01 0.00 1.31 0.00 0.00 55.95 57.41 3juy s SER 164 Cb -0.14 -1.68 0.03 0.00 0.21 0.00 0.00 66.02 64.44 3juy s SER 164 CO 0.03 0.31 0.00 0.00 0.41 0.00 0.00 173.24 174.00 3juy s ARG 166 N 1.73 2.55 0.27 0.00 3.52 -0.22 -1.50 118.95 125.31 3juy s ARG 166 Ca 0.01 -1.16 -0.16 0.00 -0.13 0.00 0.00 55.73 54.29 3juy s ARG 166 Cb -0.13 -2.96 -0.09 0.00 -1.56 0.00 0.00 34.95 30.22 3juy s ARG 166 CO -0.04 -0.49 0.71 0.45 -0.81 0.00 0.00 175.30 175.12 3juy s SER 167 N 1.23 6.86 0.33 -2.12 0.15 -0.45 -1.25 113.70 118.45 3juy s SER 167 Ca -0.04 1.29 0.18 0.00 0.70 0.00 0.00 55.95 58.08 3juy s SER 167 Cb -0.18 -2.37 0.21 0.00 -1.71 0.00 0.00 66.02 61.96 3juy s SER 167 CO -0.05 -0.10 1.52 0.77 1.20 0.00 0.00 173.24 176.58 3juy h SER 168 N 2.73 0.00 -1.79 5.45 4.64 -1.82 -3.46 113.55 119.30 3juy h SER 168 Ca -0.48 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.27 3juy h SER 168 Cb 1.18 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.18 3juy h SER 168 CO 0.66 0.36 -0.56 -1.00 -0.87 0.00 0.00 176.83 175.42 3juy s HIS 169 N -3.08 2.61 0.25 4.77 3.76 -1.26 -5.00 115.29 117.33 3juy s HIS 169 Ca 0.04 -0.48 -0.29 0.00 -0.15 0.00 0.00 55.06 54.18 3juy s HIS 169 Cb 0.07 -1.69 -0.09 0.00 1.11 0.00 0.00 32.58 31.98 3juy s HIS 169 CO 0.72 0.35 0.95 -1.12 -0.85 0.00 0.00 174.74 174.78 3juy s SER 170 N -3.81 7.59 -0.80 1.40 0.01 -1.26 -4.56 113.70 112.27 3juy s SER 170 Ca 0.38 1.96 0.02 0.00 1.31 0.00 0.00 55.95 59.61 3juy s SER 170 Cb 0.01 -2.61 0.22 0.00 0.21 0.00 0.00 66.02 63.85 3juy s SER 170 CO 0.21 0.11 0.73 -0.38 0.41 0.00 0.00 173.24 174.32 3juy n ILE 171 N 1.36 2.59 1.77 1.44 2.08 1.00 -4.87 119.36 124.73 3juy n ILE 171 Ca -0.01 -5.11 0.04 0.00 0.56 0.00 0.00 62.75 58.22 3juy n ILE 171 Cb 0.47 -2.24 0.20 0.00 -0.75 0.00 0.00 39.64 37.32 3juy n ILE 171 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 3juy n ARG 172 N 1.82 1.18 0.02 0.38 1.74 -1.26 -2.54 116.66 118.00 3juy n ARG 172 Ca 0.23 -0.27 0.11 0.00 -0.77 0.00 0.00 57.85 57.15 3juy n ARG 172 Cb 0.37 -1.15 -0.02 0.00 -1.02 0.00 0.00 32.46 30.63 3juy n ARG 172 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3juy n SER 173 N -0.36 0.58 -2.04 0.55 3.41 -1.26 -4.96 113.62 109.53 3juy n SER 173 Ca 0.07 -0.26 -0.20 0.00 -0.26 0.00 0.00 58.87 58.21 3juy n SER 173 Cb 0.09 0.98 -0.04 0.00 -0.26 0.00 0.00 64.21 64.98 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 -1.97 -1.54 -2.75 4.33 1.74 -1.05 -4.92 116.66 110.50 3juy n ARG 174 Ca 0.01 1.05 -0.43 0.00 -0.77 0.00 0.00 57.85 57.71 3juy n ARG 174 Cb 0.44 -5.58 0.00 0.00 -1.02 0.00 0.00 32.46 26.30 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 -2.76 3.57 -5.04 5.56 1.74 -1.26 -3.51 116.66 114.96 3juy n ARG 175 Ca -0.23 -3.84 -0.28 0.00 -0.77 0.00 0.00 57.85 52.73 3juy n ARG 175 Cb 0.67 -2.91 -0.16 0.00 -1.02 0.00 0.00 32.46 29.04 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 0.50 1.71 0.11 1.55 1.01 -1.26 -2.44 120.40 121.58 3juy s VAL 176 Ca 0.40 -0.89 0.04 0.00 0.00 0.00 0.00 61.98 61.53 3juy s VAL 176 Cb 0.02 -1.45 -0.04 0.00 0.00 0.00 0.00 36.38 34.92 3juy s VAL 176 CO 0.00 0.48 -0.11 0.00 0.00 0.00 0.00 175.10 175.48 3juy s ALA 177 N -0.16 1.24 -0.02 5.51 0.00 0.24 -0.84 121.76 127.73 3juy s ALA 177 Ca -0.01 -1.25 0.05 0.00 0.00 0.00 0.00 51.96 50.76 3juy s ALA 177 Cb -0.12 0.01 -0.01 0.00 0.00 0.00 0.00 23.12 23.00 3juy s ALA 177 CO 0.02 -0.01 -0.18 -1.58 0.00 0.00 0.00 175.76 174.01 3juy s TRP 178 N -2.47 1.64 0.09 0.00 0.52 0.11 -0.67 118.94 118.16 3juy s TRP 178 Ca 0.07 -0.35 0.08 0.00 0.02 0.00 0.00 56.10 55.93 3juy s TRP 178 Cb -0.03 -1.07 -0.03 0.00 -1.15 0.00 0.00 33.47 31.19 3juy s TRP 178 CO 0.01 -0.06 -0.21 0.71 0.02 0.00 0.00 176.95 177.42 3juy s TYR 179 N -0.32 1.76 -0.18 -1.98 1.51 -0.44 -0.39 117.35 117.31 3juy s TYR 179 Ca 0.05 -0.41 -0.01 0.00 -1.01 0.00 0.00 57.07 55.68 3juy s TYR 179 Cb -0.08 -0.98 -0.00 0.00 -0.11 0.00 0.00 41.96 40.79 3juy s TYR 179 CO -0.00 0.18 -0.12 -1.14 -1.11 0.00 0.00 175.55 173.36 3juy s GLN 180 N -1.79 3.24 -0.11 -0.62 0.74 -0.11 -2.05 119.66 118.98 3juy s GLN 180 Ca 0.06 -0.71 0.04 0.00 0.05 0.00 0.00 55.36 54.79 3juy s GLN 180 Cb -0.10 -2.75 0.00 0.00 1.10 0.00 0.00 33.01 31.26 3juy s GLN 180 CO 0.04 -0.08 -0.23 -1.58 -0.55 0.00 0.00 175.29 172.88 3juy s HIS 181 N 1.10 2.56 -0.32 1.67 2.46 0.81 -0.63 115.29 122.94 3juy s HIS 181 Ca 0.00 -1.09 -0.05 0.00 0.47 0.00 0.00 55.06 54.38 3juy s HIS 181 Cb -0.14 -1.72 0.03 0.00 -0.13 0.00 0.00 32.58 30.62 3juy s HIS 181 CO -0.03 -0.45 0.07 0.15 -2.47 0.00 0.00 174.74 172.01 3juy s LYS 182 N 0.43 2.72 -0.09 2.88 1.02 -1.26 -0.24 119.74 125.19 3juy s LYS 182 Ca -0.17 -1.10 -0.34 0.00 0.02 0.00 0.00 55.97 54.38 3juy s LYS 182 Cb -0.18 -3.36 -0.16 0.00 -0.52 0.00 0.00 37.83 33.61 3juy s LYS 182 CO 0.07 -0.59 0.97 -2.30 -0.92 0.00 0.00 175.35 172.58 3juy n PRO 183 N 4.79 0.00 -1.77 -1.68 -0.02 -1.26 -0.88 135.00 134.17 3juy n PRO 183 Ca -0.13 0.00 -0.06 0.00 -2.02 0.00 0.00 63.50 61.29 3juy n PRO 183 Cb 0.45 -1.22 -0.01 0.00 -0.02 0.00 0.00 33.50 32.70 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 1.69 0.38 3.07 -1.23 0.00 -1.26 -5.05 105.19 102.80 3juy n GLY 184 Ca 0.18 -0.69 -0.07 0.00 0.00 0.00 0.00 46.02 45.44 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 -3.65 0.56 0.14 1.61 -0.21 -0.06 -5.12 119.66 112.93 3juy s GLN 185 Ca 0.00 -1.11 -0.31 0.00 0.02 0.00 0.00 55.36 53.96 3juy s GLN 185 Cb 0.00 0.19 -0.09 0.00 1.00 0.00 0.00 33.01 34.11 3juy s GLN 185 CO 0.00 -0.10 1.48 0.00 -2.12 0.00 0.00 175.29 174.55 3juy s ALA 186 N -3.48 3.69 0.60 6.09 0.00 -1.26 -4.60 121.76 122.80 3juy s ALA 186 Ca 0.03 1.25 -0.18 0.00 0.00 0.00 0.00 51.96 53.07 3juy s ALA 186 Cb 0.05 -3.58 -0.09 0.00 0.00 0.00 0.00 23.12 19.50 3juy s ALA 186 CO -0.08 -0.70 0.39 -2.30 0.00 0.00 0.00 175.76 173.06 3juy n PRO 187 N 3.92 0.37 -4.63 0.00 -0.02 -1.26 -4.77 135.00 128.61 3juy n PRO 187 Ca 0.13 0.15 -0.24 0.00 -2.02 0.00 0.00 63.50 61.51 3juy n PRO 187 Cb 0.40 -1.60 -0.16 0.00 -0.02 0.00 0.00 33.50 32.12 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 -2.06 1.63 0.19 -0.52 3.52 0.20 -4.37 118.95 117.54 3juy s ARG 188 Ca 0.65 -0.45 -0.30 0.00 -0.13 0.00 0.00 55.73 55.50 3juy s ARG 188 Cb -0.42 -1.38 -0.08 0.00 -1.56 0.00 0.00 34.95 31.50 3juy s ARG 188 CO 0.58 0.10 1.27 -1.17 -0.81 0.00 0.00 175.30 175.27 3juy s LEU 189 N 0.42 4.43 -0.06 -0.88 2.96 -1.26 -0.93 118.68 123.36 3juy s LEU 189 Ca -0.10 2.35 -0.02 0.00 -0.22 0.00 0.00 54.13 56.14 3juy s LEU 189 Cb -0.14 -3.61 -0.03 0.00 0.50 0.00 0.00 46.19 42.92 3juy s LEU 189 CO 0.03 -0.48 -0.07 0.52 -1.32 0.00 0.00 176.35 175.04 3juy n VAL 190 N 2.57 0.31 -4.12 1.68 0.31 0.47 -4.79 118.33 114.76 3juy n VAL 190 Ca 0.05 -0.09 -0.15 0.00 -0.01 0.00 0.00 64.34 64.14 3juy n VAL 190 Cb 0.43 -1.35 -0.14 0.00 -0.91 0.00 0.00 33.84 31.87 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 -2.11 0.36 0.06 2.52 -1.09 -1.04 -2.02 121.20 117.88 3juy s ILE 191 Ca -0.08 -0.23 0.02 0.00 -2.23 0.00 0.00 60.65 58.13 3juy s ILE 191 Cb 0.03 -0.32 -0.03 0.00 -1.58 0.00 0.00 42.46 40.56 3juy s ILE 191 CO 0.11 0.08 -0.07 -1.38 -1.23 0.00 0.00 174.94 172.45 3juy s HIS 192 N -0.16 0.69 -1.24 3.97 -3.43 0.11 0.04 115.29 115.27 3juy s HIS 192 Ca 0.01 -0.63 -0.05 0.00 -0.80 0.00 0.00 55.06 53.60 3juy s HIS 192 Cb -0.02 -0.42 0.01 0.00 -1.43 0.00 0.00 32.58 30.72 3juy s HIS 192 CO -0.00 -0.12 0.61 0.41 -2.00 0.00 0.00 174.74 173.64 3juy n GLY 193 N 1.04 -0.29 5.00 -1.38 0.00 -0.06 -1.87 105.19 107.63 3juy n GLY 193 Ca -0.20 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 -4.35 0.00 0.00 1.61 0.31 -0.02 -3.90 118.33 111.98 3juy n VAL 194 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 3juy n VAL 194 Cb 0.59 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.52 3juy n VAL 194 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3juy n SER 195 N 2.48 2.76 -4.71 4.52 3.41 -1.24 -3.10 113.62 117.74 3juy n SER 195 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.19 3juy n SER 195 Cb 0.00 0.54 -0.03 0.00 -0.26 0.00 0.00 64.21 64.46 3juy n SER 195 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 3juy s ASN 196 N -1.15 6.78 -0.17 4.04 0.01 -0.78 -4.47 114.94 119.20 3juy s ASN 196 Ca 0.00 2.38 -0.19 0.00 -0.71 0.00 0.00 52.86 54.34 3juy s ASN 196 Cb 0.00 -2.59 -0.03 0.00 0.41 0.00 0.00 41.25 39.04 3juy s ASN 196 CO 0.00 -0.69 0.52 -0.60 -1.51 0.00 0.00 177.10 174.82 3juy s ARG 197 N 1.17 4.25 0.85 -0.60 3.52 -1.26 -0.72 118.95 126.17 3juy s ARG 197 Ca 0.66 0.46 -0.11 0.00 -0.13 0.00 0.00 55.73 56.61 3juy s ARG 197 Cb -0.38 -3.52 0.11 0.00 -1.56 0.00 0.00 34.95 29.60 3juy s ARG 197 CO 0.30 -0.04 1.10 0.00 -0.81 0.00 0.00 175.30 175.85 3juy s ALA 198 N 1.28 1.76 0.37 6.12 0.00 -0.86 -4.94 121.76 125.49 3juy s ALA 198 Ca 0.26 0.25 -0.28 0.00 0.00 0.00 0.00 51.96 52.19 3juy s ALA 198 Cb -0.15 -3.30 -0.10 0.00 0.00 0.00 0.00 23.12 19.57 3juy s ALA 198 CO 0.10 -2.25 1.39 -1.12 0.00 0.00 0.00 175.76 173.88 3juy s SER 199 N -3.18 6.47 -0.12 0.00 0.01 -1.26 -2.61 113.70 113.01 3juy s SER 199 Ca 0.63 2.85 0.00 0.00 1.31 0.00 0.00 55.95 60.74 3juy s SER 199 Cb -0.19 -2.66 0.00 0.00 0.21 0.00 0.00 66.02 63.38 3juy s SER 199 CO 0.57 -0.76 0.00 0.61 0.41 0.00 0.00 173.24 174.07 3juy n GLY 200 N 0.63 0.46 3.64 3.44 0.00 -1.26 -5.00 105.19 107.10 3juy n GLY 200 Ca 0.01 -0.17 -0.37 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.84 5.31 0.91 -0.61 -1.09 -1.07 -5.06 121.20 117.75 3juy s ILE 201 Ca 0.00 0.30 -0.12 0.00 -2.23 0.00 0.00 60.65 58.59 3juy s ILE 201 Cb 0.00 -3.56 0.06 0.00 -1.58 0.00 0.00 42.46 37.38 3juy s ILE 201 CO 0.00 0.29 0.66 -0.24 -1.23 0.00 0.00 174.94 174.43 3juy n SER 202 N 4.59 -1.16 0.00 3.58 2.88 -1.26 -4.87 113.62 117.38 3juy n SER 202 Ca -0.13 0.39 0.13 0.00 -1.33 0.00 0.00 58.87 57.94 3juy n SER 202 Cb 0.52 -1.30 0.75 0.00 -0.75 0.00 0.00 64.21 63.42 3juy n SER 202 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 3juy n ASP 203 N -2.12 0.00 0.25 -3.46 5.75 -1.26 -2.62 116.55 113.09 3juy n ASP 203 Ca 0.09 -0.51 0.12 0.00 -0.01 0.00 0.00 54.79 54.47 3juy n ASP 203 Cb 0.53 -0.13 0.61 0.00 -1.03 0.00 0.00 41.12 41.10 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 -5.82 0.11 3.08 -1.93 -3.42 114.38 106.40 3juy h ARG 204 Ca 0.00 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.46 3juy h ARG 204 Cb 0.11 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.09 3juy h ARG 204 CO 0.00 0.17 -0.18 -0.06 -1.07 0.00 0.00 179.97 178.83 3juy s PHE 205 N -3.94 3.59 0.06 3.04 0.40 -1.08 -0.87 117.98 119.20 3juy s PHE 205 Ca -0.01 0.91 -0.16 0.00 -0.60 0.00 0.00 56.93 57.06 3juy s PHE 205 Cb 0.12 -2.44 0.03 0.00 0.51 0.00 0.00 43.02 41.24 3juy s PHE 205 CO 0.60 0.35 0.37 -1.54 0.70 0.00 0.00 175.22 175.71 3juy s SER 206 N -0.03 -0.21 0.15 1.36 1.04 0.19 -4.96 113.70 111.24 3juy s SER 206 Ca 0.24 -0.15 0.05 0.00 0.48 0.00 0.00 55.95 56.57 3juy s SER 206 Cb -0.16 0.41 -0.04 0.00 0.10 0.00 0.00 66.02 66.33 3juy s SER 206 CO 0.11 -0.70 -0.12 -0.83 0.98 0.00 0.00 173.24 172.69 3juy s GLY 207 N -2.24 1.13 0.27 7.32 0.00 -1.26 0.25 107.32 112.79 3juy s GLY 207 Ca -0.03 -1.48 -0.20 0.00 0.00 0.00 0.00 44.72 43.02 3juy s GLY 207 CO -0.05 -1.57 0.90 -1.35 0.00 0.00 0.00 173.10 171.03 3juy s SER 208 N -3.04 -0.05 0.00 1.64 1.04 -0.56 -4.28 113.70 108.45 3juy s SER 208 Ca 0.16 -0.83 0.00 0.00 0.48 0.00 0.00 55.95 55.76 3juy s SER 208 Cb 0.00 0.67 0.00 0.00 0.10 0.00 0.00 66.02 66.79 3juy s SER 208 CO 0.02 -1.30 0.00 0.61 0.98 0.00 0.00 173.24 173.55 3juy n GLY 209 N -0.58 0.68 3.56 7.32 0.00 -1.26 -1.02 105.19 113.89 3juy n GLY 209 Ca -0.06 -2.18 -0.06 0.00 0.00 0.00 0.00 46.02 43.72 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 -2.29 -0.23 0.00 1.61 1.04 -0.72 -4.97 113.70 108.13 3juy s SER 210 Ca 0.00 0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.44 3juy s SER 210 Cb 0.00 0.24 0.00 0.00 0.10 0.00 0.00 66.02 66.36 3juy s SER 210 CO 0.00 -0.39 0.00 0.61 0.98 0.00 0.00 173.24 174.44 3juy n GLY 211 N -0.12 0.45 0.00 7.32 0.00 -1.26 -2.30 105.19 109.28 3juy n GLY 211 Ca -0.03 0.75 0.00 0.00 0.00 0.00 0.00 46.02 46.73 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 0.00 -3.87 2.61 -1.04 -1.26 -0.00 114.28 110.72 3juy n THR 212 Ca 0.00 -0.04 -0.23 0.00 -2.04 0.00 0.00 64.05 61.74 3juy n THR 212 Cb 0.00 1.53 -0.17 0.00 -1.82 0.00 0.00 70.33 69.86 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 -0.03 1.53 0.02 8.00 1.01 -0.97 -1.35 116.67 124.88 3juy s ASP 213 Ca 0.00 -0.12 0.04 0.00 0.71 0.00 0.00 52.55 53.18 3juy s ASP 213 Cb 0.00 -0.50 -0.02 0.00 1.01 0.00 0.00 42.92 43.42 3juy s ASP 213 CO 0.00 -0.16 -0.13 -0.36 0.21 0.00 0.00 175.17 174.73 3juy s PHE 214 N 1.72 1.15 0.05 4.23 0.08 -0.56 -1.76 117.98 122.89 3juy s PHE 214 Ca 0.02 -0.31 0.05 0.00 0.12 0.00 0.00 56.93 56.81 3juy s PHE 214 Cb -0.13 -0.70 -0.02 0.00 -0.57 0.00 0.00 43.02 41.60 3juy s PHE 214 CO -0.05 0.01 -0.15 0.95 -0.10 0.00 0.00 175.22 175.89 3juy s THR 215 N -0.69 1.18 -0.04 0.64 -4.23 -0.19 -1.03 115.64 111.28 3juy s THR 215 Ca 0.02 -1.14 0.04 0.00 -1.18 0.00 0.00 61.69 59.43 3juy s THR 215 Cb -0.07 -1.08 -0.03 0.00 1.34 0.00 0.00 72.50 72.66 3juy s THR 215 CO 0.01 -0.06 -0.15 -0.22 -0.54 0.00 0.00 174.62 173.66 3juy s LEU 216 N -1.38 2.71 -0.03 4.79 2.96 -0.61 -1.50 118.68 125.63 3juy s LEU 216 Ca 0.01 -0.22 0.02 0.00 -0.22 0.00 0.00 54.13 53.72 3juy s LEU 216 Cb -0.09 -1.55 0.01 0.00 0.50 0.00 0.00 46.19 45.06 3juy s LEU 216 CO 0.02 0.34 -0.07 -0.89 -1.32 0.00 0.00 176.35 174.42 3juy s THR 217 N -0.74 0.65 -0.32 3.68 2.01 0.14 -0.89 115.64 120.16 3juy s THR 217 Ca 0.12 -0.27 -0.05 0.00 0.31 0.00 0.00 61.69 61.80 3juy s THR 217 Cb -0.11 -0.59 0.04 0.00 0.01 0.00 0.00 72.50 71.85 3juy s THR 217 CO 0.01 0.21 0.07 -0.63 -0.69 0.00 0.00 174.62 173.59 3juy s ILE 218 N 0.31 3.51 0.12 1.82 1.01 -0.84 -0.64 121.20 126.49 3juy s ILE 218 Ca -0.04 -1.21 -0.18 0.00 0.00 0.00 0.00 60.65 59.21 3juy s ILE 218 Cb -0.09 -2.99 -0.05 0.00 0.01 0.00 0.00 42.46 39.34 3juy s ILE 218 CO 0.00 -0.15 1.73 0.71 0.00 0.00 0.00 174.94 177.23 3juy h THR 219 N 6.27 1.12 -3.55 2.92 1.35 -1.30 -2.53 112.91 117.19 3juy h THR 219 Ca -0.23 -0.30 -0.30 0.00 -0.55 0.00 0.00 66.41 65.03 3juy h THR 219 Cb 1.08 0.82 -0.33 0.00 -1.73 0.00 0.00 68.15 67.98 3juy h THR 219 CO 0.58 0.12 -0.73 0.00 -0.25 0.00 0.00 175.52 175.23 3juy s ARG 220 N -5.90 0.07 0.16 4.72 1.70 -1.25 -4.05 118.95 114.41 3juy s ARG 220 Ca -0.13 0.13 -0.29 0.00 -0.47 0.00 0.00 55.73 54.96 3juy s ARG 220 Cb 0.09 -0.29 -0.07 0.00 -0.57 0.00 0.00 34.95 34.10 3juy s ARG 220 CO 0.71 -0.13 0.93 0.08 -1.08 0.00 0.00 175.30 175.81 3juy s VAL 221 N 0.91 4.32 0.22 4.99 1.01 -0.47 -4.81 120.40 126.58 3juy s VAL 221 Ca -0.08 2.03 0.05 0.00 0.00 0.00 0.00 61.98 63.98 3juy s VAL 221 Cb -0.11 -4.30 -0.03 0.00 0.00 0.00 0.00 36.38 31.93 3juy s VAL 221 CO -0.02 0.41 0.27 -1.61 0.00 0.00 0.00 175.10 174.15 3juy s GLU 222 N -0.57 3.21 0.57 2.72 0.41 -1.26 -1.22 118.70 122.56 3juy s GLU 222 Ca 0.43 -0.85 0.38 0.00 -0.41 0.00 0.00 54.97 54.52 3juy s GLU 222 Cb -0.24 -2.76 1.96 0.00 -1.78 0.00 0.00 34.13 31.30 3juy s GLU 222 CO 0.30 0.44 2.16 -1.35 -0.49 0.00 0.00 175.26 176.32 3juy h PRO 223 N 1.53 0.00 0.00 0.39 0.11 -1.99 -1.42 132.00 130.62 3juy h PRO 223 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3juy h PRO 223 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3juy h PRO 223 CO 0.62 0.00 -0.01 -0.85 -0.21 0.00 0.00 178.00 177.55 3juy n GLU 224 N -2.92 0.06 0.00 1.05 0.28 -1.26 -3.37 120.64 114.47 3juy n GLU 224 Ca -0.02 0.05 0.14 0.00 -0.16 0.00 0.00 57.16 57.17 3juy n GLU 224 Cb 0.12 -1.57 0.55 0.00 1.43 0.00 0.00 31.44 31.98 3juy n GLU 224 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 3juy n ASP 225 N -1.66 1.28 -4.62 -1.84 8.00 -0.53 -4.79 116.55 112.39 3juy n ASP 225 Ca 0.07 -1.36 -0.43 0.00 0.71 0.00 0.00 54.79 53.78 3juy n ASP 225 Cb 0.36 0.01 -0.03 0.00 -0.02 0.00 0.00 41.12 41.44 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 -2.07 3.07 0.03 1.24 0.40 -1.22 -4.91 117.98 114.52 3juy s PHE 226 Ca 0.37 0.94 -0.05 0.00 -0.60 0.00 0.00 56.93 57.60 3juy s PHE 226 Cb 0.21 -3.79 0.02 0.00 0.51 0.00 0.00 43.02 39.97 3juy s PHE 226 CO 0.36 -0.87 0.23 0.00 0.70 0.00 0.00 175.22 175.64 3juy n ALA 227 N 6.98 -0.61 -2.70 5.36 0.00 -1.18 -4.97 120.51 123.39 3juy n ALA 227 Ca 0.10 -0.21 -0.36 0.00 0.00 0.00 0.00 53.44 52.98 3juy n ALA 227 Cb 0.48 0.10 -0.06 0.00 0.00 0.00 0.00 19.45 19.97 3juy n ALA 227 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3juy s LEU 228 N 0.00 4.39 -0.04 0.00 1.43 0.67 -1.84 118.68 123.29 3juy s LEU 228 Ca 0.05 0.66 0.05 0.00 -1.03 0.00 0.00 54.13 53.86 3juy s LEU 228 Cb -0.00 -2.62 -0.01 0.00 0.03 0.00 0.00 46.19 43.59 3juy s LEU 228 CO 0.01 0.28 -0.19 -0.31 0.23 0.00 0.00 176.35 176.37 3juy s TYR 229 N -1.24 1.80 -0.00 0.29 2.02 -0.22 -0.13 117.35 119.87 3juy s TYR 229 Ca 0.26 -0.48 0.04 0.00 -0.37 0.00 0.00 57.07 56.52 3juy s TYR 229 Cb -0.14 -1.20 -0.01 0.00 -0.40 0.00 0.00 41.96 40.21 3juy s TYR 229 CO 0.14 -0.14 -0.12 0.71 -1.57 0.00 0.00 175.55 174.57 3juy s TYR 230 N -0.11 1.10 0.18 2.71 1.51 -0.87 -0.60 117.35 121.27 3juy s TYR 230 Ca -0.01 -0.23 0.03 0.00 -1.01 0.00 0.00 57.07 55.85 3juy s TYR 230 Cb -0.11 -0.70 -0.03 0.00 -0.11 0.00 0.00 41.96 41.01 3juy s TYR 230 CO 0.02 -0.01 0.31 0.00 -1.11 0.00 0.00 175.55 174.76 3juy s GLN 232 N -3.45 0.06 -0.25 0.00 0.74 0.16 -0.45 119.66 116.47 3juy s GLN 232 Ca 0.35 -0.04 -0.08 0.00 0.05 0.00 0.00 55.36 55.64 3juy s GLN 232 Cb -0.10 0.02 -0.03 0.00 1.10 0.00 0.00 33.01 34.00 3juy s GLN 232 CO 0.29 -0.01 0.08 0.08 -0.55 0.00 0.00 175.29 175.18 3juy s VAL 233 N -0.15 4.41 0.39 1.34 1.01 -0.70 -0.59 120.40 126.10 3juy s VAL 233 Ca -0.02 -0.14 0.08 0.00 0.00 0.00 0.00 61.98 61.90 3juy s VAL 233 Cb -0.01 -3.06 -0.05 0.00 0.00 0.00 0.00 36.38 33.26 3juy s VAL 233 CO -0.00 0.34 0.19 -0.72 0.00 0.00 0.00 175.10 174.91 3juy s TYR 234 N 1.52 2.64 0.00 5.22 -0.85 -1.02 -2.16 117.35 122.70 3juy s TYR 234 Ca 0.06 -0.51 0.00 0.00 -0.52 0.00 0.00 57.07 56.09 3juy s TYR 234 Cb -0.15 -1.89 0.00 0.00 0.38 0.00 0.00 41.96 40.31 3juy s TYR 234 CO 0.04 0.20 0.00 0.41 -1.52 0.00 0.00 175.55 174.68 3juy n GLY 235 N -1.24 2.07 0.09 5.49 0.00 -1.21 -4.78 105.19 105.61 3juy n GLY 235 Ca -0.01 -0.42 -0.11 0.00 0.00 0.00 0.00 46.02 45.48 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 1.39 -1.26 4.61 0.00 -1.26 -4.67 120.51 116.32 3juy n ALA 236 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 53.44 52.62 3juy n ALA 236 Cb 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 19.45 18.74 3juy n ALA 236 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3juy n SER 237 N -3.09 0.12 -3.68 0.00 3.41 -1.26 -5.01 113.62 104.11 3juy n SER 237 Ca -0.22 -1.38 -0.11 0.00 -0.26 0.00 0.00 58.87 56.90 3juy n SER 237 Cb 1.06 -0.07 -0.12 0.00 -0.26 0.00 0.00 64.21 64.83 3juy n SER 237 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3juy s SER 238 N -0.39 -0.12 -0.00 4.04 1.04 -1.26 -4.94 113.70 112.06 3juy s SER 238 Ca 0.01 0.74 0.04 0.00 0.48 0.00 0.00 55.95 57.22 3juy s SER 238 Cb 0.01 0.81 -0.01 0.00 0.10 0.00 0.00 66.02 66.92 3juy s SER 238 CO 0.00 -0.21 -0.14 -0.31 0.98 0.00 0.00 173.24 173.56 3juy s TYR 239 N 1.98 1.22 -0.20 5.02 1.51 -1.26 -3.31 117.35 122.31 3juy s TYR 239 Ca -0.04 -0.25 -0.11 0.00 -1.01 0.00 0.00 57.07 55.66 3juy s TYR 239 Cb -0.11 -0.77 0.07 0.00 -0.11 0.00 0.00 41.96 41.04 3juy s TYR 239 CO -0.11 -0.01 0.49 -0.08 -1.11 0.00 0.00 175.55 174.74 3juy s THR 240 N -0.41 -0.08 0.18 -0.71 -1.32 -0.92 -4.64 115.64 107.74 3juy s THR 240 Ca 0.05 0.07 0.05 0.00 -1.21 0.00 0.00 61.69 60.64 3juy s THR 240 Cb -0.06 -0.73 -0.04 0.00 -1.51 0.00 0.00 72.50 70.17 3juy s THR 240 CO -0.00 0.03 0.21 -0.36 -2.21 0.00 0.00 174.62 172.29 3juy s PHE 241 N 1.57 3.26 0.97 9.09 0.40 -1.26 -1.73 117.98 130.28 3juy s PHE 241 Ca -0.09 0.00 -0.15 0.00 -0.60 0.00 0.00 56.93 56.09 3juy s PHE 241 Cb -0.08 -1.54 0.18 0.00 0.51 0.00 0.00 43.02 42.09 3juy s PHE 241 CO -0.15 0.51 1.23 0.20 0.70 0.00 0.00 175.22 177.71 3juy s GLY 242 N -3.34 1.67 0.28 4.36 0.00 0.40 -4.54 107.32 106.16 3juy s GLY 242 Ca 0.33 -0.93 0.23 0.00 0.00 0.00 0.00 44.72 44.35 3juy s GLY 242 CO 0.26 -0.23 1.40 0.06 0.00 0.00 0.00 173.10 174.58 3juy h GLN 243 N -1.68 0.00 0.00 2.90 -0.00 -1.90 -3.43 115.11 111.00 3juy h GLN 243 Ca -0.46 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.19 3juy h GLN 243 Cb 1.28 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.76 3juy h GLN 243 CO 0.47 0.00 0.00 0.41 -0.00 0.00 0.00 178.83 179.71 3juy n GLY 244 N 1.19 2.50 3.27 0.06 0.00 -1.26 -4.89 105.19 106.07 3juy n GLY 244 Ca 0.03 -1.69 -0.32 0.00 0.00 0.00 0.00 46.02 44.04 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 -1.71 2.09 -0.25 2.61 2.01 0.23 -4.77 115.64 115.86 3juy s THR 245 Ca 0.00 -1.05 -0.13 0.00 0.31 0.00 0.00 61.69 60.82 3juy s THR 245 Cb 0.00 -1.76 -0.05 0.00 0.01 0.00 0.00 72.50 70.71 3juy s THR 245 CO 0.00 0.57 0.26 -0.75 -0.69 0.00 0.00 174.62 174.01 3juy s LYS 246 N -0.18 4.04 -0.81 4.92 2.20 0.14 -1.06 119.74 129.00 3juy s LYS 246 Ca -0.03 -0.13 -0.17 0.00 -0.36 0.00 0.00 55.97 55.28 3juy s LYS 246 Cb -0.14 -3.60 0.16 0.00 -1.51 0.00 0.00 37.83 32.75 3juy s LYS 246 CO 0.04 -0.10 0.87 -1.17 -0.36 0.00 0.00 175.35 174.63 3juy s LEU 247 N 1.52 5.91 0.22 5.43 2.96 -0.77 -0.57 118.68 133.37 3juy s LEU 247 Ca 0.11 -2.21 -0.06 0.00 -0.22 0.00 0.00 54.13 51.75 3juy s LEU 247 Cb -0.15 -2.29 -0.06 0.00 0.50 0.00 0.00 46.19 44.19 3juy s LEU 247 CO 0.08 -0.85 0.48 -1.83 -1.32 0.00 0.00 176.35 172.91 3juy s GLU 248 N 1.54 3.67 0.41 1.98 -1.05 -0.45 -3.09 118.70 121.71 3juy s GLU 248 Ca 0.21 0.03 -0.22 0.00 -0.15 0.00 0.00 54.97 54.83 3juy s GLU 248 Cb -0.12 -2.73 -0.10 0.00 -0.44 0.00 0.00 34.13 30.74 3juy s GLU 248 CO -0.06 0.34 0.97 0.50 0.95 0.00 0.00 175.26 177.96 3juy s ARG 249 N -3.02 4.26 0.00 -4.83 3.52 -1.26 -2.68 118.95 114.94 3juy s ARG 249 Ca 0.44 1.23 0.00 0.00 -0.13 0.00 0.00 55.73 57.26 3juy s ARG 249 Cb -0.11 -2.35 0.00 0.00 -1.56 0.00 0.00 34.95 30.93 3juy s ARG 249 CO 0.25 -0.01 0.00 1.63 -0.81 0.00 0.00 175.30 176.37