#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 5.41 0.06 -0.39 1.01 -1.26 -4.28 120.40 120.95 3juy s VAL 2 Ca 0.00 0.27 -0.19 0.00 0.00 0.00 0.00 61.98 62.07 3juy s VAL 2 Cb 0.00 -3.47 0.04 0.00 0.00 0.00 0.00 36.38 32.95 3juy s VAL 2 CO 0.00 0.57 0.44 -1.58 0.00 0.00 0.00 175.10 174.52 3juy s GLN 3 N -1.17 0.98 -0.22 2.72 0.74 -0.90 -5.04 119.66 116.78 3juy s GLN 3 Ca 0.18 -0.41 -0.02 0.00 0.05 0.00 0.00 55.36 55.16 3juy s GLN 3 Cb -0.13 0.44 0.07 0.00 1.10 0.00 0.00 33.01 34.49 3juy s GLN 3 CO 0.08 -0.36 0.03 -0.51 -0.55 0.00 0.00 175.29 173.98 3juy s LEU 4 N -2.19 1.61 -0.19 3.68 1.43 -1.26 -2.20 118.68 119.56 3juy s LEU 4 Ca -0.03 -1.01 -0.12 0.00 -1.03 0.00 0.00 54.13 51.94 3juy s LEU 4 Cb -0.00 -0.75 -0.05 0.00 0.03 0.00 0.00 46.19 45.42 3juy s LEU 4 CO -0.05 -0.31 0.20 -0.69 0.23 0.00 0.00 176.35 175.73 3juy s VAL 5 N 1.73 5.36 0.23 -1.59 1.01 -0.60 -4.00 120.40 122.54 3juy s VAL 5 Ca -0.01 0.33 0.07 0.00 0.00 0.00 0.00 61.98 62.37 3juy s VAL 5 Cb -0.17 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.63 3juy s VAL 5 CO -0.10 0.41 0.14 -1.10 0.00 0.00 0.00 175.10 174.45 3juy s GLN 6 N 0.50 2.79 1.21 2.72 -0.21 -1.26 -0.58 119.66 124.83 3juy s GLN 6 Ca 0.11 -1.07 -0.18 0.00 0.02 0.00 0.00 55.36 54.24 3juy s GLN 6 Cb -0.12 -2.51 0.29 0.00 1.00 0.00 0.00 33.01 31.67 3juy s GLN 6 CO 0.01 0.42 1.06 -1.54 -2.12 0.00 0.00 175.29 173.11 3juy s SER 7 N -3.58 0.75 0.63 5.90 1.04 -1.15 -4.99 113.70 112.30 3juy s SER 7 Ca 0.32 0.88 -0.01 0.00 0.48 0.00 0.00 55.95 57.62 3juy s SER 7 Cb -0.08 -1.29 0.07 0.00 0.10 0.00 0.00 66.02 64.81 3juy s SER 7 CO 0.23 -4.25 0.88 -0.83 0.98 0.00 0.00 173.24 170.25 3juy s GLY 8 N -3.48 1.78 0.27 7.32 0.00 -1.26 -4.72 107.32 107.24 3juy s GLY 8 Ca 0.69 -1.37 -0.29 0.00 0.00 0.00 0.00 44.72 43.76 3juy s GLY 8 CO 0.58 -0.98 1.09 0.00 0.00 0.00 0.00 173.10 173.79 3juy n ALA 9 N -2.60 -0.06 -2.75 3.20 0.00 -1.26 -4.70 120.51 112.35 3juy n ALA 9 Ca 0.10 0.40 -0.17 0.00 0.00 0.00 0.00 53.44 53.77 3juy n ALA 9 Cb 0.60 -2.06 -0.13 0.00 0.00 0.00 0.00 19.45 17.86 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 -1.34 0.64 -0.16 0.00 2.02 -0.13 -4.98 118.70 114.75 3juy s GLU 10 Ca 0.61 -0.54 -0.00 0.00 0.02 0.00 0.00 54.97 55.06 3juy s GLU 10 Cb -0.70 -0.56 -0.01 0.00 0.10 0.00 0.00 34.13 32.96 3juy s GLU 10 CO 0.58 0.14 -0.13 0.08 0.02 0.00 0.00 175.26 175.95 3juy s VAL 11 N -0.72 2.87 0.11 2.63 1.01 -1.26 -1.20 120.40 123.84 3juy s VAL 11 Ca -0.02 -0.70 0.08 0.00 0.00 0.00 0.00 61.98 61.34 3juy s VAL 11 Cb -0.06 -2.23 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 3juy s VAL 11 CO 0.00 0.51 -0.20 -0.54 0.00 0.00 0.00 175.10 174.87 3juy s LYS 12 N 0.77 1.12 0.16 2.72 -0.14 0.76 -4.97 119.74 120.17 3juy s LYS 12 Ca -0.05 -1.18 -0.25 0.00 -1.36 0.00 0.00 55.97 53.13 3juy s LYS 12 Cb -0.15 -1.35 -0.08 0.00 -1.68 0.00 0.00 37.83 34.57 3juy s LYS 12 CO 0.01 0.31 0.77 0.15 -0.76 0.00 0.00 175.35 175.82 3juy s LYS 13 N -2.01 4.55 -0.11 1.68 1.02 -1.26 -1.01 119.74 122.60 3juy s LYS 13 Ca 0.07 1.14 -0.37 0.00 0.02 0.00 0.00 55.97 56.83 3juy s LYS 13 Cb -0.09 -3.26 -0.14 0.00 -0.52 0.00 0.00 37.83 33.81 3juy s LYS 13 CO 0.04 0.56 1.71 -2.30 -0.92 0.00 0.00 175.35 174.45 3juy n PRO 14 N 1.64 1.60 0.00 -1.68 -0.02 -1.26 -1.05 135.00 134.23 3juy n PRO 14 Ca -0.06 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 3juy n PRO 14 Cb 0.49 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 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 3.91 2.33 3.86 -1.23 0.00 -0.13 -4.94 105.19 108.99 3juy n GLY 15 Ca 0.23 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.95 3juy n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3juy s ALA 16 N -2.30 2.01 0.21 4.61 0.00 -0.22 -3.69 121.76 122.38 3juy s ALA 16 Ca 0.00 -1.01 0.06 0.00 0.00 0.00 0.00 51.96 51.01 3juy s ALA 16 Cb 0.00 -2.85 -0.04 0.00 0.00 0.00 0.00 23.12 20.24 3juy s ALA 16 CO 0.00 -2.48 0.16 -1.12 0.00 0.00 0.00 175.76 172.33 3juy s SER 17 N -4.61 5.50 -0.05 0.00 0.01 -1.26 -2.05 113.70 111.23 3juy s SER 17 Ca 0.71 -0.20 0.02 0.00 1.31 0.00 0.00 55.95 57.79 3juy s SER 17 Cb -0.07 -1.41 0.01 0.00 0.21 0.00 0.00 66.02 64.77 3juy s SER 17 CO 0.53 0.02 -0.10 0.54 0.41 0.00 0.00 173.24 174.64 3juy s VAL 18 N -1.94 0.93 -0.18 3.43 0.11 -0.80 -5.01 120.40 116.94 3juy s VAL 18 Ca 0.32 -0.37 -0.01 0.00 -2.93 0.00 0.00 61.98 58.98 3juy s VAL 18 Cb -0.09 -0.87 -0.01 0.00 -1.53 0.00 0.00 36.38 33.89 3juy s VAL 18 CO 0.24 0.31 -0.11 -0.75 -3.33 0.00 0.00 175.10 171.46 3juy s LYS 19 N 0.66 3.30 -0.21 1.54 2.20 -1.26 -1.53 119.74 124.44 3juy s LYS 19 Ca -0.12 -0.69 -0.05 0.00 -0.36 0.00 0.00 55.97 54.75 3juy s LYS 19 Cb -0.15 -2.78 -0.02 0.00 -1.51 0.00 0.00 37.83 33.37 3juy s LYS 19 CO 0.02 -0.04 0.01 0.08 -0.36 0.00 0.00 175.35 175.06 3juy s VAL 20 N 1.01 3.93 0.55 4.02 1.01 -0.11 -4.97 120.40 125.84 3juy s VAL 20 Ca -0.01 -0.32 -0.02 0.00 0.00 0.00 0.00 61.98 61.64 3juy s VAL 20 Cb -0.15 -2.79 0.02 0.00 0.00 0.00 0.00 36.38 33.46 3juy s VAL 20 CO -0.02 0.41 0.80 -0.94 0.00 0.00 0.00 175.10 175.36 3juy s SER 21 N 1.18 5.47 -0.42 3.32 1.04 -1.26 -1.90 113.70 121.12 3juy s SER 21 Ca 0.03 0.32 0.07 0.00 0.48 0.00 0.00 55.95 56.86 3juy s SER 21 Cb -0.14 -1.32 0.18 0.00 0.10 0.00 0.00 66.02 64.84 3juy s SER 21 CO 0.01 -1.04 0.65 0.00 0.98 0.00 0.00 173.24 173.84 3juy s GLN 23 N 1.72 4.41 0.39 0.00 0.74 0.25 -2.32 119.66 124.84 3juy s GLN 23 Ca 0.18 1.23 -0.08 0.00 0.05 0.00 0.00 55.36 56.74 3juy s GLN 23 Cb -0.03 -3.53 -0.06 0.00 1.10 0.00 0.00 33.01 30.49 3juy s GLN 23 CO -0.07 -0.24 0.71 0.00 -0.55 0.00 0.00 175.29 175.14 3juy s ALA 24 N 1.78 3.44 -0.08 1.58 0.00 0.19 -1.55 121.76 127.12 3juy s ALA 24 Ca 0.45 -0.36 -0.27 0.00 0.00 0.00 0.00 51.96 51.77 3juy s ALA 24 Cb -0.18 -2.56 0.06 0.00 0.00 0.00 0.00 23.12 20.44 3juy s ALA 24 CO 0.18 0.00 0.62 -1.54 0.00 0.00 0.00 175.76 175.01 3juy s SER 25 N -3.33 -0.59 0.00 0.00 1.04 -0.93 -4.85 113.70 105.04 3juy s SER 25 Ca 0.48 0.72 0.00 0.00 0.48 0.00 0.00 55.95 57.64 3juy s SER 25 Cb -0.10 0.64 0.00 0.00 0.10 0.00 0.00 66.02 66.66 3juy s SER 25 CO 0.33 -0.52 0.00 0.61 0.98 0.00 0.00 173.24 174.65 3juy n GLY 26 N 1.29 0.89 3.72 7.32 0.00 -1.26 -2.12 105.19 115.03 3juy n GLY 26 Ca -0.18 -0.01 -0.05 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.00 -0.18 -0.45 1.61 -0.85 -1.26 -4.54 117.35 109.68 3juy s TYR 27 Ca 0.00 -0.11 -0.29 0.00 -0.52 0.00 0.00 57.07 56.15 3juy s TYR 27 Cb 0.00 0.63 0.02 0.00 0.38 0.00 0.00 41.96 42.99 3juy s TYR 27 CO 0.00 -0.82 1.24 0.50 -1.52 0.00 0.00 175.55 174.95 3juy s ARG 28 N -3.32 3.68 0.30 -3.49 3.52 -1.26 -4.91 118.95 113.47 3juy s ARG 28 Ca 0.11 0.73 0.02 0.00 -0.13 0.00 0.00 55.73 56.45 3juy s ARG 28 Cb -0.02 -3.95 0.57 0.00 -1.56 0.00 0.00 34.95 29.99 3juy s ARG 28 CO 0.01 -1.43 1.87 0.35 -0.81 0.00 0.00 175.30 175.28 3juy h PHE 29 N 9.74 1.08 0.00 5.12 3.57 -1.96 -2.57 116.94 131.92 3juy h PHE 29 Ca -0.25 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.24 3juy h PHE 29 Cb 1.08 -0.35 -0.01 0.00 2.79 0.00 0.00 35.95 39.46 3juy h PHE 29 CO 0.97 0.48 -0.22 0.66 -2.23 0.00 0.00 178.31 177.98 3juy h SER 30 N 0.99 0.00 0.08 0.41 4.64 -1.92 -3.18 113.55 114.58 3juy h SER 30 Ca 0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.77 3juy h SER 30 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 3juy h SER 30 CO -0.21 0.22 0.00 1.41 -0.87 0.00 0.00 176.83 177.38 3juy n HIS 31 N -3.26 0.00 -3.95 4.77 8.25 -0.97 -2.48 115.22 117.59 3juy n HIS 31 Ca 0.01 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.24 3juy n HIS 31 Cb 0.50 -0.05 -0.17 0.00 1.12 0.00 0.00 29.99 31.39 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 -2.10 0.99 0.49 4.41 0.08 -1.20 -5.02 117.98 115.63 3juy s PHE 32 Ca 0.38 -0.38 -0.24 0.00 0.12 0.00 0.00 56.93 56.82 3juy s PHE 32 Cb 0.19 -0.92 -0.07 0.00 -0.57 0.00 0.00 43.02 41.64 3juy s PHE 32 CO 0.33 -0.35 1.34 2.41 -0.10 0.00 0.00 175.22 178.85 3juy n THR 33 N 4.77 3.18 -4.29 0.64 -1.04 -1.26 -4.51 114.28 111.76 3juy n THR 33 Ca -0.13 -0.50 -0.33 0.00 -2.04 0.00 0.00 64.05 61.04 3juy n THR 33 Cb 0.50 -1.67 -0.15 0.00 -1.82 0.00 0.00 70.33 67.19 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 -1.25 2.61 0.36 12.58 1.01 -0.17 -2.18 120.40 133.36 3juy s VAL 34 Ca 0.66 -0.77 -0.12 0.00 0.00 0.00 0.00 61.98 61.75 3juy s VAL 34 Cb -0.45 -2.12 -0.07 0.00 0.00 0.00 0.00 36.38 33.74 3juy s VAL 34 CO 0.54 0.51 0.74 -1.00 0.00 0.00 0.00 175.10 175.88 3juy s HIS 35 N 1.08 3.44 -0.08 5.22 3.76 0.11 -1.78 115.29 127.05 3juy s HIS 35 Ca -0.00 1.07 0.04 0.00 -0.15 0.00 0.00 55.06 56.02 3juy s HIS 35 Cb -0.14 -2.45 0.00 0.00 1.11 0.00 0.00 32.58 31.10 3juy s HIS 35 CO -0.04 -0.01 -0.21 -1.58 -0.85 0.00 0.00 174.74 172.05 3juy s TRP 36 N -2.21 2.18 0.01 1.40 0.52 -0.59 -1.10 118.94 119.16 3juy s TRP 36 Ca 0.52 -0.81 0.00 0.00 0.02 0.00 0.00 56.10 55.82 3juy s TRP 36 Cb -0.10 -1.48 -0.01 0.00 -1.15 0.00 0.00 33.47 30.73 3juy s TRP 36 CO 0.26 -0.33 -0.01 0.08 0.02 0.00 0.00 176.95 176.98 3juy s VAL 37 N 0.30 0.04 0.31 4.03 1.01 0.34 -0.68 120.40 125.75 3juy s VAL 37 Ca -0.14 -0.29 0.05 0.00 0.00 0.00 0.00 61.98 61.61 3juy s VAL 37 Cb -0.16 -0.10 -0.06 0.00 0.00 0.00 0.00 36.38 36.06 3juy s VAL 37 CO 0.06 -0.15 0.00 0.00 0.00 0.00 0.00 175.10 175.01 3juy s ARG 38 N -0.46 1.62 -0.30 2.72 1.70 -0.11 0.36 118.95 124.49 3juy s ARG 38 Ca -0.05 -1.87 -0.01 0.00 -0.47 0.00 0.00 55.73 53.33 3juy s ARG 38 Cb -0.03 -1.04 0.13 0.00 -0.57 0.00 0.00 34.95 33.43 3juy s ARG 38 CO -0.00 -0.08 0.24 -1.14 -1.08 0.00 0.00 175.30 173.24 3juy s GLN 39 N -3.80 0.31 0.78 3.89 0.74 -0.28 -0.75 119.66 120.55 3juy s GLN 39 Ca 0.33 -0.38 -0.14 0.00 0.05 0.00 0.00 55.36 55.21 3juy s GLN 39 Cb 0.07 -0.85 0.05 0.00 1.10 0.00 0.00 33.01 33.38 3juy s GLN 39 CO 0.14 -1.05 1.15 0.00 -0.55 0.00 0.00 175.29 174.98 3juy n ALA 40 N 5.15 0.02 -2.03 1.58 0.00 -1.26 -2.30 120.51 121.66 3juy n ALA 40 Ca -0.02 -0.27 -0.42 0.00 0.00 0.00 0.00 53.44 52.74 3juy n ALA 40 Cb 0.44 -2.22 -0.03 0.00 0.00 0.00 0.00 19.45 17.64 3juy n ALA 40 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3juy s PRO 41 N -3.85 4.26 -0.44 0.00 0.02 -1.26 -2.77 135.00 130.95 3juy s PRO 41 Ca 0.74 2.24 -0.02 0.00 0.02 0.00 0.00 61.00 63.98 3juy s PRO 41 Cb -0.31 -3.23 0.00 0.00 0.02 0.00 0.00 34.50 30.98 3juy s PRO 41 CO 0.50 -0.55 0.22 0.41 -0.33 0.00 0.00 177.00 177.24 3juy n GLY 42 N 3.67 0.37 3.16 0.52 0.00 -1.26 -5.05 105.19 106.60 3juy n GLY 42 Ca 0.13 -0.49 -0.08 0.00 0.00 0.00 0.00 46.02 45.57 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 -4.98 0.73 0.58 1.61 -1.52 -1.12 -5.15 119.66 109.82 3juy s GLN 43 Ca 0.11 -0.98 -0.18 0.00 -1.95 0.00 0.00 55.36 52.35 3juy s GLN 43 Cb -0.05 0.29 -0.04 0.00 -0.22 0.00 0.00 33.01 32.99 3juy s GLN 43 CO 0.13 -0.20 1.12 1.03 -0.25 0.00 0.00 175.29 177.12 3juy s ARG 44 N -3.63 3.20 0.52 2.91 0.52 -1.26 -4.74 118.95 116.46 3juy s ARG 44 Ca 0.04 1.53 -0.21 0.00 -0.52 0.00 0.00 55.73 56.56 3juy s ARG 44 Cb 0.05 -1.99 -0.07 0.00 0.52 0.00 0.00 34.95 33.45 3juy s ARG 44 CO -0.09 -0.96 1.06 1.19 0.02 0.00 0.00 175.30 176.51 3juy n PHE 45 N -1.65 1.24 -3.70 -0.53 3.01 -1.26 -4.59 117.46 109.98 3juy n PHE 45 Ca 0.11 0.48 -0.23 0.00 1.01 0.00 0.00 57.45 58.82 3juy n PHE 45 Cb 0.51 -2.22 -0.17 0.00 -0.01 0.00 0.00 39.48 37.59 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 -2.48 0.27 0.10 -1.08 2.12 0.07 -4.57 118.70 113.13 3juy s GLU 46 Ca 0.70 0.10 -0.30 0.00 0.36 0.00 0.00 54.97 55.82 3juy s GLU 46 Cb -0.47 -1.13 -0.06 0.00 0.26 0.00 0.00 34.13 32.73 3juy s GLU 46 CO 0.52 -0.43 1.12 -0.46 -0.54 0.00 0.00 175.26 175.47 3juy s TRP 47 N 2.06 3.54 -0.23 5.30 -0.00 -1.26 -0.93 118.94 127.42 3juy s TRP 47 Ca 0.04 1.50 0.06 0.00 -0.00 0.00 0.00 56.10 57.69 3juy s TRP 47 Cb -0.14 -3.31 -0.20 0.00 -0.00 0.00 0.00 33.47 29.83 3juy s TRP 47 CO -0.06 -0.78 -0.08 -1.33 -0.00 0.00 0.00 176.95 174.71 3juy n MET 48 N 3.25 0.67 0.00 5.86 2.81 0.14 -4.71 117.12 125.14 3juy n MET 48 Ca 0.06 0.12 0.00 0.00 -1.81 0.00 0.00 57.70 56.06 3juy n MET 48 Cb 0.47 -1.54 0.00 0.00 -0.71 0.00 0.00 33.22 31.44 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 2.08 1.09 3.34 3.03 0.00 -1.22 -0.67 105.19 112.83 3juy n GLY 49 Ca -0.40 -1.52 -0.17 0.00 0.00 0.00 0.00 46.02 43.93 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 -1.74 1.59 -0.02 1.61 1.48 0.55 -1.54 118.94 120.86 3juy s TRP 50 Ca 0.00 -0.99 0.00 0.00 -1.06 0.00 0.00 56.10 54.05 3juy s TRP 50 Cb 0.00 -0.94 0.03 0.00 -1.16 0.00 0.00 33.47 31.39 3juy s TRP 50 CO 0.00 -0.10 0.02 -1.50 -4.06 0.00 0.00 176.95 171.31 3juy s ILE 51 N -3.49 0.02 -0.53 0.66 2.07 -0.73 -1.85 121.20 117.36 3juy s ILE 51 Ca 0.31 0.18 -0.18 0.00 -1.41 0.00 0.00 60.65 59.55 3juy s ILE 51 Cb 0.07 -0.15 0.08 0.00 0.13 0.00 0.00 42.46 42.59 3juy s ILE 51 CO 0.10 0.11 0.58 0.21 -1.91 0.00 0.00 174.94 174.03 3juy s ASN 52 N 1.08 6.19 0.57 4.50 3.84 0.10 -1.00 114.94 130.22 3juy s ASN 52 Ca -0.09 -1.28 0.36 0.00 0.21 0.00 0.00 52.86 52.05 3juy s ASN 52 Cb -0.13 -2.26 1.58 0.00 -0.55 0.00 0.00 41.25 39.89 3juy s ASN 52 CO -0.03 -0.90 2.06 1.55 -2.79 0.00 0.00 177.10 177.00 3juy h PRO 53 N 8.98 0.00 0.84 0.43 0.14 -1.79 0.20 132.00 140.80 3juy h PRO 53 Ca -0.29 0.00 -0.04 0.00 0.14 0.00 0.00 66.00 65.81 3juy h PRO 53 Cb 1.10 0.00 0.01 0.00 0.14 0.00 0.00 31.00 32.25 3juy h PRO 53 CO 1.00 0.01 -0.40 -0.92 0.14 0.00 0.00 178.00 177.82 3juy h TYR 54 N 0.00 -1.05 -0.23 1.56 3.20 -1.82 -3.36 116.97 115.27 3juy h TYR 54 Ca -0.00 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.85 3juy h TYR 54 Cb 0.41 0.35 0.00 0.00 1.54 0.00 0.00 36.73 39.03 3juy h TYR 54 CO 0.00 -0.65 0.00 0.27 -1.64 0.00 0.00 178.16 176.14 3juy n ASN 55 N -5.39 2.59 0.00 -2.11 0.23 -1.13 -4.98 115.26 104.46 3juy n ASN 55 Ca -0.14 -1.80 0.00 0.00 -0.53 0.00 0.00 54.58 52.11 3juy n ASN 55 Cb 0.45 -0.15 0.00 0.00 -2.08 0.00 0.00 39.78 38.00 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 0.63 1.17 3.73 4.83 0.00 0.70 -5.02 105.19 111.22 3juy n GLY 56 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 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 0.00 3.01 -3.94 1.61 3.02 -1.22 -4.73 115.26 113.00 3juy n ASN 57 Ca 0.00 1.13 -0.14 0.00 -0.03 0.00 0.00 54.58 55.54 3juy n ASN 57 Cb 0.00 -1.55 -0.14 0.00 -0.61 0.00 0.00 39.78 37.48 3juy n ASN 57 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3juy s LYS 58 N -2.28 0.28 -0.11 3.52 1.02 -1.26 0.03 119.74 120.94 3juy s LYS 58 Ca 0.60 -0.21 0.02 0.00 0.02 0.00 0.00 55.97 56.40 3juy s LYS 58 Cb -0.48 -0.22 0.01 0.00 -0.52 0.00 0.00 37.83 36.62 3juy s LYS 58 CO 0.59 0.06 -0.16 -2.00 -0.92 0.00 0.00 175.35 172.91 3juy s GLU 59 N -0.32 2.27 -0.12 1.68 2.56 -0.77 -4.96 118.70 119.04 3juy s GLU 59 Ca -0.01 -0.58 -0.03 0.00 0.00 0.00 0.00 54.97 54.35 3juy s GLU 59 Cb -0.03 -1.92 -0.03 0.00 2.00 0.00 0.00 34.13 34.15 3juy s GLU 59 CO -0.00 -0.05 -0.02 -0.06 -0.56 0.00 0.00 175.26 174.57 3juy s PHE 60 N 0.95 3.09 0.61 5.30 0.40 -1.26 -0.33 117.98 126.74 3juy s PHE 60 Ca -0.07 -0.02 -0.18 0.00 -0.60 0.00 0.00 56.93 56.06 3juy s PHE 60 Cb -0.15 -1.87 -0.03 0.00 0.51 0.00 0.00 43.02 41.48 3juy s PHE 60 CO -0.01 0.23 1.19 0.45 0.70 0.00 0.00 175.22 177.78 3juy s SER 61 N -0.28 5.12 0.25 1.36 0.15 0.16 -4.85 113.70 115.61 3juy s SER 61 Ca 0.06 2.32 0.01 0.00 0.70 0.00 0.00 55.95 59.03 3juy s SER 61 Cb -0.12 -2.59 0.30 0.00 -1.71 0.00 0.00 66.02 61.90 3juy s SER 61 CO 0.02 -1.64 1.64 0.00 1.20 0.00 0.00 173.24 174.46 3juy h ALA 62 N 0.68 0.95 0.00 5.45 0.00 -1.92 -1.62 119.26 122.79 3juy h ALA 62 Ca -0.50 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 53.99 3juy h ALA 62 Cb 1.29 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 3juy h ALA 62 CO 0.54 0.62 -0.03 -0.22 0.00 0.00 0.00 179.25 180.17 3juy h LYS 63 N 0.39 0.00 0.00 0.00 3.64 -1.94 -3.28 116.57 115.38 3juy h LYS 63 Ca 0.04 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 3juy h LYS 63 Cb 0.85 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.67 3juy h LYS 63 CO 0.07 0.03 -0.46 1.19 -2.27 0.00 0.00 179.45 178.01 3juy n PHE 64 N -3.26 0.00 -0.36 1.91 3.01 -0.89 -4.81 117.46 113.07 3juy n PHE 64 Ca -0.02 0.00 -0.04 0.00 1.01 0.00 0.00 57.45 58.40 3juy n PHE 64 Cb 0.18 -0.02 0.00 0.00 -0.01 0.00 0.00 39.48 39.63 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 0.00 -0.03 -0.18 -1.08 -0.00 -1.38 -1.42 115.11 111.01 3juy h GLN 65 Ca 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 58.65 58.71 3juy h GLN 65 Cb 0.08 0.01 -0.01 0.00 0.00 0.00 0.00 27.48 27.56 3juy h GLN 65 CO 0.00 -0.02 0.14 0.22 0.00 0.00 0.00 178.83 179.17 3juy h ASP 66 N -0.04 0.00 -0.00 -0.69 3.58 -1.87 -3.28 116.42 114.12 3juy h ASP 66 Ca 0.29 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.74 3juy h ASP 66 Cb 0.56 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.61 3juy h ASP 66 CO -0.93 0.00 -0.14 0.54 -2.88 0.00 0.00 179.24 175.83 3juy n ARG 67 N -4.39 2.31 -4.73 0.28 1.74 -0.56 -5.01 116.66 106.29 3juy n ARG 67 Ca 0.01 -0.49 -0.25 0.00 -0.77 0.00 0.00 57.85 56.35 3juy n ARG 67 Cb 0.27 -0.98 -0.15 0.00 -1.02 0.00 0.00 32.46 30.59 3juy n ARG 67 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3juy s VAL 68 N -1.07 1.52 -0.01 1.55 1.01 -1.03 -0.65 120.40 121.73 3juy s VAL 68 Ca 0.06 -1.00 0.03 0.00 0.00 0.00 0.00 61.98 61.07 3juy s VAL 68 Cb 0.05 -1.30 -0.01 0.00 0.00 0.00 0.00 36.38 35.12 3juy s VAL 68 CO 0.17 0.28 -0.10 0.28 0.00 0.00 0.00 175.10 175.73 3juy s THR 69 N -0.64 0.79 -0.07 3.92 -1.32 -0.12 -4.88 115.64 113.32 3juy s THR 69 Ca 0.07 -0.43 0.01 0.00 -1.21 0.00 0.00 61.69 60.13 3juy s THR 69 Cb -0.08 -0.67 -0.03 0.00 -1.51 0.00 0.00 72.50 70.22 3juy s THR 69 CO 0.01 0.23 -0.09 -0.36 -2.21 0.00 0.00 174.62 172.19 3juy s PHE 70 N -0.21 2.88 0.02 9.09 0.40 -1.26 -1.44 117.98 127.45 3juy s PHE 70 Ca 0.03 -0.07 -0.01 0.00 -0.60 0.00 0.00 56.93 56.29 3juy s PHE 70 Cb -0.04 -1.71 -0.02 0.00 0.51 0.00 0.00 43.02 41.76 3juy s PHE 70 CO -0.00 0.25 -0.02 0.95 0.70 0.00 0.00 175.22 177.10 3juy s THR 71 N -0.68 0.12 -0.08 0.64 -4.23 -0.44 -4.99 115.64 105.97 3juy s THR 71 Ca 0.10 -1.03 0.01 0.00 -1.18 0.00 0.00 61.69 59.60 3juy s THR 71 Cb -0.11 -0.46 0.02 0.00 1.34 0.00 0.00 72.50 73.28 3juy s THR 71 CO 0.01 -0.56 -0.10 0.00 -0.54 0.00 0.00 174.62 173.43 3juy s ALA 72 N -1.83 1.25 -0.60 3.99 0.00 -1.26 0.31 121.76 123.62 3juy s ALA 72 Ca -0.12 -0.44 -0.18 0.00 0.00 0.00 0.00 51.96 51.21 3juy s ALA 72 Cb -0.07 -0.69 0.12 0.00 0.00 0.00 0.00 23.12 22.47 3juy s ALA 72 CO -0.02 -0.10 0.67 0.34 0.00 0.00 0.00 175.76 176.64 3juy s ASP 73 N 1.09 6.22 0.33 0.00 -1.08 -0.15 -4.95 116.67 118.13 3juy s ASP 73 Ca -0.07 -1.59 0.07 0.00 -0.52 0.00 0.00 52.55 50.44 3juy s ASP 73 Cb -0.14 -2.28 0.58 0.00 -1.46 0.00 0.00 42.92 39.62 3juy s ASP 73 CO -0.01 -1.03 1.80 0.74 0.52 0.00 0.00 175.17 177.19 3juy h THR 74 N 5.87 1.24 0.00 1.71 2.02 -1.95 -1.93 112.91 119.87 3juy h THR 74 Ca -0.27 -1.13 -0.02 0.00 0.77 0.00 0.00 66.41 65.76 3juy h THR 74 Cb 1.09 1.38 -0.00 0.00 -1.74 0.00 0.00 68.15 68.87 3juy h THR 74 CO 1.07 0.35 -0.09 0.77 0.37 0.00 0.00 175.52 177.99 3juy h SER 75 N 0.28 0.00 -0.40 4.18 4.64 -1.96 -3.03 113.55 117.27 3juy h SER 75 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 3juy h SER 75 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 3juy h SER 75 CO 0.04 0.09 0.00 0.00 -0.87 0.00 0.00 176.83 176.09 3juy n ALA 76 N -2.42 2.56 -4.18 5.18 0.00 -0.75 -4.98 120.51 115.92 3juy n ALA 76 Ca -0.03 -1.55 -0.30 0.00 0.00 0.00 0.00 53.44 51.56 3juy n ALA 76 Cb 0.18 -0.63 -0.06 0.00 0.00 0.00 0.00 19.45 18.93 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 0.40 -0.31 -3.92 0.00 4.13 -1.05 -4.78 115.26 109.74 3juy n ASN 77 Ca 0.17 -1.14 -0.17 0.00 1.68 0.00 0.00 54.58 55.13 3juy n ASN 77 Cb 0.64 -2.32 -0.15 0.00 -1.54 0.00 0.00 39.78 36.42 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 -3.99 0.39 0.01 3.41 2.01 -1.09 0.56 115.64 116.94 3juy s THR 78 Ca 0.16 -0.15 0.04 0.00 0.31 0.00 0.00 61.69 62.06 3juy s THR 78 Cb -0.09 -0.37 -0.03 0.00 0.01 0.00 0.00 72.50 72.01 3juy s THR 78 CO 0.95 0.14 -0.09 0.00 -0.69 0.00 0.00 174.62 174.93 3juy s ALA 79 N 0.27 2.92 0.03 7.40 0.00 -0.98 -0.97 121.76 130.42 3juy s ALA 79 Ca -0.03 -1.06 0.06 0.00 0.00 0.00 0.00 51.96 50.93 3juy s ALA 79 Cb -0.06 -1.04 -0.02 0.00 0.00 0.00 0.00 23.12 21.99 3juy s ALA 79 CO -0.00 0.60 -0.17 0.71 0.00 0.00 0.00 175.76 176.90 3juy s TYR 80 N -0.98 1.52 -0.06 0.00 1.51 0.15 -1.20 117.35 118.28 3juy s TYR 80 Ca 0.16 -0.35 0.01 0.00 -1.01 0.00 0.00 57.07 55.88 3juy s TYR 80 Cb -0.11 -0.91 0.02 0.00 -0.11 0.00 0.00 41.96 40.85 3juy s TYR 80 CO 0.07 0.05 -0.06 1.41 -1.11 0.00 0.00 175.55 175.91 3juy s MET 81 N -1.03 1.10 -0.09 -0.62 1.75 -0.80 -1.33 119.30 118.29 3juy s MET 81 Ca 0.05 -0.17 0.03 0.00 -1.25 0.00 0.00 55.69 54.35 3juy s MET 81 Cb -0.08 -1.10 0.01 0.00 2.84 0.00 0.00 34.83 36.50 3juy s MET 81 CO 0.01 -0.11 -0.17 -2.00 -0.65 0.00 0.00 175.02 172.09 3juy s GLU 82 N 1.12 2.31 -0.08 4.11 2.12 -0.52 -0.94 118.70 126.82 3juy s GLU 82 Ca -0.07 -0.62 0.02 0.00 0.36 0.00 0.00 54.97 54.66 3juy s GLU 82 Cb -0.14 -1.83 -0.02 0.00 0.26 0.00 0.00 34.13 32.39 3juy s GLU 82 CO -0.01 0.07 -0.13 -1.17 -0.54 0.00 0.00 175.26 173.48 3juy s LEU 83 N 0.59 2.75 0.36 2.70 2.96 -0.59 -0.95 118.68 126.51 3juy s LEU 83 Ca -0.15 -0.23 0.08 0.00 -0.22 0.00 0.00 54.13 53.61 3juy s LEU 83 Cb -0.16 -1.58 -0.05 0.00 0.50 0.00 0.00 46.19 44.90 3juy s LEU 83 CO 0.05 0.29 0.12 0.00 -1.32 0.00 0.00 176.35 175.48 3juy s ARG 84 N -0.37 2.26 -1.34 1.98 1.70 0.18 -1.90 118.95 121.46 3juy s ARG 84 Ca 0.04 -1.67 -0.02 0.00 -0.47 0.00 0.00 55.73 53.61 3juy s ARG 84 Cb -0.12 -2.07 0.01 0.00 -0.57 0.00 0.00 34.95 32.20 3juy s ARG 84 CO 0.02 0.06 0.75 0.43 -1.08 0.00 0.00 175.30 175.48 3juy n SER 85 N -1.12 -1.74 -4.71 -2.89 7.64 -1.14 -4.87 113.62 104.78 3juy n SER 85 Ca -0.03 -0.81 -0.42 0.00 1.01 0.00 0.00 58.87 58.63 3juy n SER 85 Cb 0.62 -4.06 -0.00 0.00 -1.01 0.00 0.00 64.21 59.76 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 -4.34 3.80 -4.43 -3.43 4.77 -0.87 -4.62 117.00 107.88 3juy n LEU 86 Ca -0.25 1.18 -0.21 0.00 -0.03 0.00 0.00 56.01 56.70 3juy n LEU 86 Cb 0.66 -1.50 -0.09 0.00 -2.33 0.00 0.00 43.42 40.15 3juy n LEU 86 CO 0.69 -0.47 -0.23 0.00 -1.33 0.00 0.00 177.39 176.05 3juy s ARG 87 N -1.99 1.69 0.24 3.23 1.70 -1.26 -0.96 118.95 121.60 3juy s ARG 87 Ca 0.57 -1.97 -0.09 0.00 -0.47 0.00 0.00 55.73 53.77 3juy s ARG 87 Cb -0.54 -0.54 0.38 0.00 -0.57 0.00 0.00 34.95 33.69 3juy s ARG 87 CO 0.61 -0.35 1.62 0.77 -1.08 0.00 0.00 175.30 176.88 3juy h SER 88 N 2.08 -0.50 0.00 -2.89 0.02 -1.96 0.76 113.55 111.06 3juy h SER 88 Ca -0.37 0.21 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 3juy h SER 88 Cb 1.26 0.40 0.00 0.00 0.14 0.00 0.00 62.40 64.19 3juy h SER 88 CO 0.61 -0.21 0.00 0.00 -1.14 0.00 0.00 176.83 176.08 3juy n ALA 89 N -3.07 2.10 1.53 3.77 0.00 -1.26 -1.57 120.51 122.00 3juy n ALA 89 Ca 0.12 -0.08 0.14 0.00 0.00 0.00 0.00 53.44 53.62 3juy n ALA 89 Cb 0.44 -1.22 0.57 0.00 0.00 0.00 0.00 19.45 19.24 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 -0.90 1.18 -4.61 0.00 8.00 0.26 -4.82 116.55 115.67 3juy n ASP 90 Ca 0.10 -1.30 -0.43 0.00 0.71 0.00 0.00 54.79 53.87 3juy n ASP 90 Cb 0.05 0.01 -0.02 0.00 -0.02 0.00 0.00 41.12 41.13 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 -2.09 3.65 0.27 -3.53 2.01 -0.61 -4.82 115.64 110.52 3juy s THR 91 Ca 0.37 0.69 -0.19 0.00 0.31 0.00 0.00 61.69 62.87 3juy s THR 91 Cb 0.21 -3.79 0.07 0.00 0.01 0.00 0.00 72.50 68.99 3juy s THR 91 CO 0.37 -0.45 0.93 0.00 -0.69 0.00 0.00 174.62 174.79 3juy s ALA 92 N 5.95 -1.23 -0.25 7.40 0.00 -0.13 -4.29 121.76 129.21 3juy s ALA 92 Ca 0.73 -0.52 -0.13 0.00 0.00 0.00 0.00 51.96 52.03 3juy s ALA 92 Cb -0.21 0.73 -0.04 0.00 0.00 0.00 0.00 23.12 23.59 3juy s ALA 92 CO 0.32 -1.03 0.29 0.08 0.00 0.00 0.00 175.76 175.42 3juy s VAL 93 N -2.20 5.25 -0.30 0.00 1.01 -0.97 -0.68 120.40 122.50 3juy s VAL 93 Ca 0.19 0.42 -0.12 0.00 0.00 0.00 0.00 61.98 62.48 3juy s VAL 93 Cb -0.04 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.68 3juy s VAL 93 CO 0.08 0.24 0.21 -0.31 0.00 0.00 0.00 175.10 175.32 3juy s TYR 94 N 1.62 3.22 -0.03 5.22 1.51 0.32 -1.12 117.35 128.09 3juy s TYR 94 Ca 0.12 -0.01 0.00 0.00 -1.01 0.00 0.00 57.07 56.18 3juy s TYR 94 Cb -0.15 -2.42 -0.04 0.00 -0.11 0.00 0.00 41.96 39.24 3juy s TYR 94 CO 0.08 -0.24 0.01 0.71 -1.11 0.00 0.00 175.55 175.00 3juy s TYR 95 N 1.75 3.12 0.09 2.71 2.02 0.16 -1.93 117.35 125.27 3juy s TYR 95 Ca 0.07 0.12 0.05 0.00 -0.37 0.00 0.00 57.07 56.94 3juy s TYR 95 Cb -0.17 -1.71 -0.04 0.00 -0.40 0.00 0.00 41.96 39.64 3juy s TYR 95 CO 0.11 0.47 -0.01 0.00 -1.57 0.00 0.00 175.55 174.55 3juy s ALA 97 N -1.32 -0.49 0.39 0.00 0.00 -0.26 -0.28 121.76 119.81 3juy s ALA 97 Ca 0.25 0.59 -0.14 0.00 0.00 0.00 0.00 51.96 52.66 3juy s ALA 97 Cb -0.12 -0.34 -0.08 0.00 0.00 0.00 0.00 23.12 22.58 3juy s ALA 97 CO 0.18 -0.10 0.80 0.50 0.00 0.00 0.00 175.76 177.14 3juy s ARG 98 N 0.19 3.91 0.83 0.00 3.52 0.71 0.09 118.95 128.19 3juy s ARG 98 Ca -0.01 0.65 -0.11 0.00 -0.13 0.00 0.00 55.73 56.14 3juy s ARG 98 Cb -0.02 -2.35 0.12 0.00 -1.56 0.00 0.00 34.95 31.14 3juy s ARG 98 CO -0.00 -0.00 1.17 0.14 -0.81 0.00 0.00 175.30 175.79 3juy s VAL 99 N -2.26 2.09 0.89 7.11 -7.23 -0.93 -0.20 120.40 119.86 3juy s VAL 99 Ca 0.54 -0.14 -0.11 0.00 -1.81 0.00 0.00 61.98 60.46 3juy s VAL 99 Cb -0.10 -2.95 0.18 0.00 0.56 0.00 0.00 36.38 34.07 3juy s VAL 99 CO 0.25 0.00 1.22 -0.83 -0.31 0.00 0.00 175.10 175.43 3juy s GLY 100 N -4.69 1.77 0.51 2.32 0.00 -0.47 -4.58 107.32 102.18 3juy s GLY 100 Ca 0.66 -1.36 -0.18 0.00 0.00 0.00 0.00 44.72 43.85 3juy s GLY 100 CO 0.49 -0.65 1.00 -0.54 0.00 0.00 0.00 173.10 173.40 3juy s GLU 101 N -5.66 3.85 -0.42 2.90 2.02 -1.26 -4.91 118.70 115.22 3juy s GLU 101 Ca 0.72 1.10 -0.29 0.00 0.02 0.00 0.00 54.97 56.52 3juy s GLU 101 Cb -0.04 -2.12 0.01 0.00 0.10 0.00 0.00 34.13 32.08 3juy s GLU 101 CO 0.50 -0.36 1.33 -0.46 0.02 0.00 0.00 175.26 176.30 3juy s TRP 102 N -2.40 2.53 0.17 1.61 -0.00 -1.26 -4.82 118.94 114.76 3juy s TRP 102 Ca 0.62 0.70 -0.15 0.00 -0.00 0.00 0.00 56.10 57.27 3juy s TRP 102 Cb -0.12 -4.30 -0.07 0.00 -0.00 0.00 0.00 33.47 28.97 3juy s TRP 102 CO 0.27 -1.78 0.59 0.20 -0.00 0.00 0.00 176.95 176.24 3juy s GLY 103 N 3.46 2.48 0.53 5.86 0.00 -1.26 -5.03 107.32 113.36 3juy s GLY 103 Ca 0.57 -0.07 -0.20 0.00 0.00 0.00 0.00 44.72 45.03 3juy s GLY 103 CO 0.31 0.22 0.72 0.79 0.00 0.00 0.00 173.10 175.14 3juy n TRP 104 N 0.69 0.03 -1.51 1.90 8.01 -1.26 -1.67 117.44 123.64 3juy n TRP 104 Ca -0.04 0.48 -0.16 0.00 -1.31 0.00 0.00 57.50 56.47 3juy n TRP 104 Cb 0.52 -2.05 -0.07 0.00 -2.01 0.00 0.00 31.31 27.70 3juy n TRP 104 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.69 176.28 3juy n ASP 105 N 0.31 -4.97 -4.78 -0.99 5.75 -1.26 -4.99 116.55 105.62 3juy n ASP 105 Ca 0.12 0.39 -0.36 0.00 -0.01 0.00 0.00 54.79 54.92 3juy n ASP 105 Cb 0.45 -3.92 -0.05 0.00 -1.03 0.00 0.00 41.12 36.57 3juy n ASP 105 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 3juy s ASP 106 N -2.81 6.86 0.34 -1.12 1.01 -0.67 -5.06 116.67 115.22 3juy s ASP 106 Ca 0.00 1.99 -0.12 0.00 0.71 0.00 0.00 52.55 55.13 3juy s ASP 106 Cb 0.00 -2.58 -0.08 0.00 1.01 0.00 0.00 42.92 41.27 3juy s ASP 106 CO 0.00 -0.42 0.72 -0.55 0.21 0.00 0.00 175.17 175.13 3juy s SER 107 N -1.59 6.64 0.40 0.27 0.15 -1.26 -4.98 113.70 113.31 3juy s SER 107 Ca 0.57 1.15 -0.26 0.00 0.70 0.00 0.00 55.95 58.10 3juy s SER 107 Cb -0.21 -2.32 -0.11 0.00 -1.71 0.00 0.00 66.02 61.67 3juy s SER 107 CO 0.26 -0.27 1.28 -2.65 1.20 0.00 0.00 173.24 173.06 3juy n PRO 108 N -0.75 2.00 -0.25 5.44 -0.02 -1.26 -0.54 135.00 139.62 3juy n PRO 108 Ca 0.02 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 3juy n PRO 108 Cb 0.53 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 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 -0.03 0.00 0.25 6.00 4.01 -1.26 -4.86 117.16 121.28 3juy n TYR 109 Ca 0.06 0.00 0.15 0.00 -0.16 0.00 0.00 57.90 57.95 3juy n TYR 109 Cb 0.38 -0.39 0.82 0.00 -0.31 0.00 0.00 39.34 39.84 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 -0.42 7.72 3.45 -1.20 -0.08 116.42 125.89 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 -2.61 3.32 -1.28 6.45 6.94 -1.26 -4.64 115.26 122.17 3juy n ASN 111 Ca -0.02 -1.94 -0.06 0.00 -0.02 0.00 0.00 54.58 52.54 3juy n ASN 111 Cb 0.14 -0.27 0.05 0.00 -2.36 0.00 0.00 39.78 37.34 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 1.26 0.79 -1.89 -2.53 4.02 -0.04 -1.37 117.16 117.39 3juy n TYR 112 Ca 0.18 -0.79 -0.29 0.00 -0.01 0.00 0.00 57.90 56.98 3juy n TYR 112 Cb 0.54 -0.41 0.15 0.00 -0.02 0.00 0.00 39.34 39.60 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 -0.92 2.15 -0.52 -0.72 1.13 -1.26 -4.66 117.35 112.55 3juy s TYR 113 Ca 0.15 0.51 -0.23 0.00 -1.41 0.00 0.00 57.07 56.09 3juy s TYR 113 Cb 0.12 -3.84 0.04 0.00 -1.10 0.00 0.00 41.96 37.18 3juy s TYR 113 CO 0.03 -2.31 0.82 -1.64 -2.51 0.00 0.00 175.55 169.94 3juy s MET 114 N -5.74 3.29 -0.07 -3.49 -1.94 -1.26 -3.97 119.30 106.12 3juy s MET 114 Ca 0.69 -0.40 0.20 0.00 -1.71 0.00 0.00 55.69 54.47 3juy s MET 114 Cb -0.07 -4.04 -0.28 0.00 2.01 0.00 0.00 34.83 32.45 3juy s MET 114 CO 0.51 -1.33 0.39 -3.47 -0.01 0.00 0.00 175.02 171.11 3juy n ASP 115 N 6.95 0.09 -3.76 3.03 2.03 0.72 -4.53 116.55 121.08 3juy n ASP 115 Ca -0.00 0.04 -0.13 0.00 0.52 0.00 0.00 54.79 55.21 3juy n ASP 115 Cb 0.47 1.48 -0.14 0.00 -0.72 0.00 0.00 41.12 42.22 3juy n ASP 115 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3juy s VAL 116 N -3.13 -0.04 0.27 5.18 1.01 -1.18 -4.60 120.40 117.92 3juy s VAL 116 Ca -0.08 0.14 0.08 0.00 0.00 0.00 0.00 61.98 62.12 3juy s VAL 116 Cb 0.11 -0.28 -0.04 0.00 0.00 0.00 0.00 36.38 36.17 3juy s VAL 116 CO 0.87 0.06 0.13 0.26 0.00 0.00 0.00 175.10 176.42 3juy s TRP 117 N 0.99 2.90 0.68 5.22 0.52 -1.26 -0.21 118.94 127.77 3juy s TRP 117 Ca -0.07 -0.20 -0.08 0.00 0.02 0.00 0.00 56.10 55.77 3juy s TRP 117 Cb -0.09 -1.39 0.04 0.00 -1.15 0.00 0.00 33.47 30.87 3juy s TRP 117 CO -0.05 0.51 1.01 0.20 0.02 0.00 0.00 176.95 178.63 3juy s GLY 118 N -3.80 1.64 0.15 0.98 0.00 0.62 -4.42 107.32 102.48 3juy s GLY 118 Ca 0.34 -0.70 0.23 0.00 0.00 0.00 0.00 44.72 44.58 3juy s GLY 118 CO 0.23 -0.34 1.71 1.17 0.00 0.00 0.00 173.10 175.87 3juy n LYS 119 N -2.87 0.14 0.00 2.90 4.81 -1.26 -4.50 118.16 117.38 3juy n LYS 119 Ca 0.07 0.26 0.00 0.00 -0.87 0.00 0.00 58.31 57.77 3juy n LYS 119 Cb 0.59 -1.71 0.00 0.00 0.02 0.00 0.00 35.03 33.93 3juy n LYS 119 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3juy n GLY 120 N 0.58 2.47 2.68 3.14 0.00 -1.26 -4.51 105.19 108.29 3juy n GLY 120 Ca 0.04 -1.84 -0.24 0.00 0.00 0.00 0.00 46.02 43.98 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 -2.53 0.10 -0.32 2.61 2.01 -0.81 -4.87 115.64 111.83 3juy s THR 121 Ca 0.00 -0.03 -0.27 0.00 0.31 0.00 0.00 61.69 61.69 3juy s THR 121 Cb 0.00 -0.54 0.01 0.00 0.01 0.00 0.00 72.50 71.98 3juy s THR 121 CO 0.00 -0.05 0.99 -0.89 -0.69 0.00 0.00 174.62 173.98 3juy s THR 122 N 2.07 4.59 -0.20 -0.82 2.01 -1.26 -0.52 115.64 121.51 3juy s THR 122 Ca 0.03 1.54 -0.01 0.00 0.31 0.00 0.00 61.69 63.56 3juy s THR 122 Cb -0.15 -4.34 0.00 0.00 0.01 0.00 0.00 72.50 68.03 3juy s THR 122 CO -0.07 -0.43 -0.12 -0.69 -0.69 0.00 0.00 174.62 172.62 3juy s VAL 123 N 3.46 2.77 -0.13 3.82 1.01 0.14 -0.95 120.40 130.53 3juy s VAL 123 Ca 0.41 -0.70 -0.01 0.00 0.00 0.00 0.00 61.98 61.68 3juy s VAL 123 Cb -0.13 -2.22 -0.02 0.00 0.00 0.00 0.00 36.38 34.02 3juy s VAL 123 CO 0.15 0.48 -0.11 -0.63 0.00 0.00 0.00 175.10 175.00 3juy s ILE 124 N 1.31 3.29 -0.26 2.22 1.01 -0.34 -0.96 121.20 127.46 3juy s ILE 124 Ca 0.04 -0.58 -0.13 0.00 0.00 0.00 0.00 60.65 59.98 3juy s ILE 124 Cb -0.14 -2.39 -0.04 0.00 0.01 0.00 0.00 42.46 39.90 3juy s ILE 124 CO -0.07 0.52 0.29 -0.69 0.00 0.00 0.00 174.94 174.99 3juy s VAL 125 N 0.26 5.25 -1.00 2.92 1.01 -1.26 -0.17 120.40 127.41 3juy s VAL 125 Ca -0.07 0.41 -0.16 0.00 0.00 0.00 0.00 61.98 62.16 3juy s VAL 125 Cb -0.15 -3.62 0.17 0.00 0.00 0.00 0.00 36.38 32.78 3juy s VAL 125 CO 0.05 0.23 1.13 -0.94 0.00 0.00 0.00 175.10 175.56 3juy s SER 126 N 1.48 6.84 1.01 3.32 1.04 -0.18 -4.86 113.70 122.36 3juy s SER 126 Ca 0.12 -2.58 -0.16 0.00 0.48 0.00 0.00 55.95 53.81 3juy s SER 126 Cb -0.15 -2.34 0.09 0.00 0.10 0.00 0.00 66.02 63.72 3juy s SER 126 CO 0.09 -0.80 -0.06 -1.54 0.98 0.00 0.00 173.24 171.90 3juy n SER 127 N 5.39 -2.75 0.00 7.02 3.41 -1.26 -4.41 113.62 121.01 3juy n SER 127 Ca 0.25 -0.23 0.00 0.00 -0.26 0.00 0.00 58.87 58.63 3juy n SER 127 Cb 0.46 -0.77 0.00 0.00 -0.26 0.00 0.00 64.21 63.64 3juy n SER 127 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 3juy n GLU 143 N -1.03 0.00 -1.45 4.33 -0.00 -1.26 -4.81 120.64 116.42 3juy n GLU 143 Ca 0.03 0.00 -0.33 0.00 -0.00 0.00 0.00 57.16 56.86 3juy n GLU 143 Cb 0.47 0.00 0.08 0.00 -0.00 0.00 0.00 31.44 31.99 3juy n GLU 143 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 3juy s ILE 144 N -1.44 2.82 -0.04 3.84 1.01 -1.26 -5.04 121.20 121.09 3juy s ILE 144 Ca 0.00 0.35 -0.01 0.00 0.00 0.00 0.00 60.65 60.99 3juy s ILE 144 Cb 0.00 -2.82 0.03 0.00 0.01 0.00 0.00 42.46 39.68 3juy s ILE 144 CO 0.00 -0.26 0.07 -0.69 0.00 0.00 0.00 174.94 174.06 3juy s VAL 145 N -2.36 -0.09 -0.21 2.92 1.01 -1.26 -4.95 120.40 115.47 3juy s VAL 145 Ca 0.68 0.28 -0.10 0.00 0.00 0.00 0.00 61.98 62.84 3juy s VAL 145 Cb -0.23 -0.15 -0.05 0.00 0.00 0.00 0.00 36.38 35.96 3juy s VAL 145 CO 0.47 0.11 0.12 -0.76 0.00 0.00 0.00 175.10 175.05 3juy s LEU 146 N 1.48 4.10 -0.17 3.92 1.43 -1.26 -2.26 118.68 125.92 3juy s LEU 146 Ca -0.04 0.16 -0.02 0.00 -1.03 0.00 0.00 54.13 53.20 3juy s LEU 146 Cb -0.12 -2.07 -0.01 0.00 0.03 0.00 0.00 46.19 44.02 3juy s LEU 146 CO -0.04 0.14 -0.10 -0.89 0.23 0.00 0.00 176.35 175.70 3juy s THR 147 N 0.57 3.14 -0.24 5.49 2.01 -0.70 -4.16 115.64 121.74 3juy s THR 147 Ca 0.07 -0.60 -0.06 0.00 0.31 0.00 0.00 61.69 61.40 3juy s THR 147 Cb -0.12 -2.37 -0.02 0.00 0.01 0.00 0.00 72.50 70.00 3juy s THR 147 CO 0.00 0.49 0.04 -1.10 -0.69 0.00 0.00 174.62 173.36 3juy s GLN 148 N 0.84 3.56 0.08 4.92 -0.21 -1.26 -0.68 119.66 126.91 3juy s GLN 148 Ca -0.03 -0.53 0.10 0.00 0.02 0.00 0.00 55.36 54.92 3juy s GLN 148 Cb -0.15 -3.24 -0.03 0.00 1.00 0.00 0.00 33.01 30.59 3juy s GLN 148 CO 0.01 -0.20 -0.26 0.00 -2.12 0.00 0.00 175.29 172.71 3juy s ALA 149 N 1.57 2.31 0.87 6.09 0.00 -1.11 -4.09 121.76 127.42 3juy s ALA 149 Ca 0.06 -1.35 -0.11 0.00 0.00 0.00 0.00 51.96 50.56 3juy s ALA 149 Cb -0.15 -0.45 0.12 0.00 0.00 0.00 0.00 23.12 22.64 3juy s ALA 149 CO 0.02 0.54 1.09 -2.14 0.00 0.00 0.00 175.76 175.27 3juy s PRO 150 N -1.56 1.44 0.09 0.00 0.02 -1.26 -0.78 135.00 132.95 3juy s PRO 150 Ca 0.13 0.82 -0.18 0.00 0.02 0.00 0.00 61.00 61.79 3juy s PRO 150 Cb -0.10 -1.83 -0.07 0.00 0.02 0.00 0.00 34.50 32.52 3juy s PRO 150 CO 0.04 -2.12 1.55 0.78 -0.33 0.00 0.00 177.00 176.92 3juy h GLY 151 N -1.46 0.51 -6.24 0.52 0.00 -1.87 -3.42 103.07 91.10 3juy h GLY 151 Ca -0.49 -0.35 -0.20 0.00 0.00 0.00 0.00 47.33 46.29 3juy h GLY 151 CO 0.55 0.32 -0.49 -1.59 0.00 0.00 0.00 176.54 175.33 3juy s THR 152 N -5.11 -0.25 -0.18 4.70 2.01 -1.26 -1.96 115.64 113.59 3juy s THR 152 Ca -0.13 0.21 -0.00 0.00 0.31 0.00 0.00 61.69 62.07 3juy s THR 152 Cb 0.08 -0.43 0.01 0.00 0.01 0.00 0.00 72.50 72.16 3juy s THR 152 CO 0.75 0.09 -0.15 -1.48 -0.69 0.00 0.00 174.62 173.14 3juy s LEU 153 N 1.89 2.41 0.15 4.42 0.05 -0.29 -4.93 118.68 122.38 3juy s LEU 153 Ca -0.04 -0.53 -0.05 0.00 0.05 0.00 0.00 54.13 53.56 3juy s LEU 153 Cb -0.11 -1.56 -0.06 0.00 -2.05 0.00 0.00 46.19 42.41 3juy s LEU 153 CO -0.09 0.02 0.39 -0.55 -0.55 0.00 0.00 176.35 175.58 3juy s SER 154 N 1.18 6.50 0.18 1.48 0.15 -1.26 -2.91 113.70 119.01 3juy s SER 154 Ca 0.02 0.61 -0.05 0.00 0.70 0.00 0.00 55.95 57.23 3juy s SER 154 Cb -0.14 -2.10 0.02 0.00 -1.71 0.00 0.00 66.02 62.09 3juy s SER 154 CO -0.06 0.04 0.32 0.18 1.20 0.00 0.00 173.24 174.92 3juy n LEU 155 N 0.04 0.00 -4.06 3.45 4.77 -0.01 -4.95 117.00 116.23 3juy n LEU 155 Ca -0.02 -1.21 -0.10 0.00 -0.03 0.00 0.00 56.01 54.65 3juy n LEU 155 Cb 0.52 1.59 -0.11 0.00 -2.33 0.00 0.00 43.42 43.09 3juy n LEU 155 CO 0.48 -0.37 -0.37 -0.44 -1.33 0.00 0.00 177.39 175.36 3juy s SER 156 N -1.96 0.58 0.26 -1.43 0.01 -1.26 -4.17 113.70 105.73 3juy s SER 156 Ca 0.09 -0.73 -0.30 0.00 1.31 0.00 0.00 55.95 56.32 3juy s SER 156 Cb -0.02 0.11 -0.14 0.00 0.21 0.00 0.00 66.02 66.19 3juy s SER 156 CO 0.07 -0.39 1.31 -2.65 0.41 0.00 0.00 173.24 171.99 3juy n PRO 157 N 0.90 1.86 0.00 12.44 -0.02 -1.26 -2.82 135.00 146.10 3juy n PRO 157 Ca -0.19 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 3juy n PRO 157 Cb 0.57 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 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 1.78 2.61 3.68 -1.23 0.00 0.02 -4.98 105.19 107.07 3juy n GLY 158 Ca 0.11 -0.65 -0.29 0.00 0.00 0.00 0.00 46.02 45.18 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 0.71 -0.21 1.61 2.02 -1.13 -4.27 118.70 117.43 3juy s GLU 159 Ca 0.00 0.70 -0.11 0.00 0.02 0.00 0.00 54.97 55.58 3juy s GLU 159 Cb 0.00 -1.76 -0.05 0.00 0.10 0.00 0.00 34.13 32.43 3juy s GLU 159 CO 0.00 -2.58 0.16 0.50 0.02 0.00 0.00 175.26 173.36 3juy s ARG 160 N -4.91 4.15 0.01 1.61 3.52 -1.20 0.61 118.95 122.75 3juy s ARG 160 Ca 0.65 -0.20 0.02 0.00 -0.13 0.00 0.00 55.73 56.06 3juy s ARG 160 Cb -0.19 -3.47 -0.04 0.00 -1.56 0.00 0.00 34.95 29.69 3juy s ARG 160 CO 0.58 0.19 0.03 0.00 -0.81 0.00 0.00 175.30 175.28 3juy s ALA 161 N 0.68 3.38 -0.15 6.12 0.00 -0.42 -4.98 121.76 126.38 3juy s ALA 161 Ca 0.09 -0.95 -0.04 0.00 0.00 0.00 0.00 51.96 51.05 3juy s ALA 161 Cb -0.12 -1.39 0.07 0.00 0.00 0.00 0.00 23.12 21.68 3juy s ALA 161 CO 0.01 0.67 0.17 0.99 0.00 0.00 0.00 175.76 177.61 3juy s THR 162 N -1.16 -0.26 0.10 0.00 2.01 -1.26 -2.05 115.64 113.02 3juy s THR 162 Ca 0.22 0.05 0.02 0.00 0.31 0.00 0.00 61.69 62.29 3juy s THR 162 Cb -0.12 -0.51 -0.04 0.00 0.01 0.00 0.00 72.50 71.84 3juy s THR 162 CO 0.13 -0.09 0.21 -0.36 -0.69 0.00 0.00 174.62 173.82 3juy s PHE 163 N 2.28 3.42 0.17 4.92 0.08 -0.39 -4.74 117.98 123.73 3juy s PHE 163 Ca 0.04 0.16 0.09 0.00 0.12 0.00 0.00 56.93 57.34 3juy s PHE 163 Cb -0.14 -1.69 -0.04 0.00 -0.57 0.00 0.00 43.02 40.58 3juy s PHE 163 CO -0.09 0.55 -0.18 -1.12 -0.10 0.00 0.00 175.22 174.27 3juy s SER 164 N -2.77 2.76 -0.05 1.36 0.01 0.04 -1.75 113.70 113.30 3juy s SER 164 Ca 0.34 -0.88 -0.04 0.00 1.31 0.00 0.00 55.95 56.68 3juy s SER 164 Cb -0.12 -0.17 0.02 0.00 0.21 0.00 0.00 66.02 65.96 3juy s SER 164 CO 0.27 -0.03 0.13 0.00 0.41 0.00 0.00 173.24 174.02 3juy s ARG 166 N 0.41 0.79 0.59 0.00 3.00 0.14 -0.76 118.95 123.12 3juy s ARG 166 Ca -0.03 -0.60 -0.15 0.00 -1.00 0.00 0.00 55.73 53.95 3juy s ARG 166 Cb -0.04 -2.15 -0.04 0.00 0.00 0.00 0.00 34.95 32.72 3juy s ARG 166 CO -0.02 -0.69 1.05 0.45 0.00 0.00 0.00 175.30 176.09 3juy s SER 167 N 1.76 5.84 0.00 -2.12 0.15 -0.00 -1.73 113.70 117.60 3juy s SER 167 Ca 0.00 1.78 0.24 0.00 0.70 0.00 0.00 55.95 58.67 3juy s SER 167 Cb -0.17 -2.53 0.87 0.00 -1.71 0.00 0.00 66.02 62.48 3juy s SER 167 CO -0.11 -1.13 1.63 -1.54 1.20 0.00 0.00 173.24 173.30 3juy n SER 168 N -2.06 1.66 -4.10 5.45 3.41 -0.96 -4.87 113.62 112.15 3juy n SER 168 Ca 0.08 -1.62 -0.09 0.00 -0.26 0.00 0.00 58.87 56.99 3juy n SER 168 Cb 0.53 -0.06 -0.10 0.00 -0.26 0.00 0.00 64.21 64.32 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 -1.89 0.61 0.00 7.33 3.76 -1.26 -4.95 115.29 118.90 3juy s HIS 169 Ca 0.35 -0.94 -0.30 0.00 -0.15 0.00 0.00 55.06 54.02 3juy s HIS 169 Cb 0.19 -0.41 -0.04 0.00 1.11 0.00 0.00 32.58 33.43 3juy s HIS 169 CO 0.30 -0.28 1.16 -1.12 -0.85 0.00 0.00 174.74 173.95 3juy s SER 170 N -2.75 7.11 -1.16 1.40 0.01 -1.26 -4.50 113.70 112.56 3juy s SER 170 Ca 0.05 1.88 -0.10 0.00 1.31 0.00 0.00 55.95 59.09 3juy s SER 170 Cb 0.05 -2.57 0.24 0.00 0.21 0.00 0.00 66.02 63.95 3juy s SER 170 CO -0.07 -0.48 1.35 -0.38 0.41 0.00 0.00 173.24 174.07 3juy n ILE 171 N 4.20 4.59 0.31 1.44 2.08 -0.09 -4.84 119.36 127.06 3juy n ILE 171 Ca 0.09 -5.19 0.20 0.00 0.56 0.00 0.00 62.75 58.41 3juy n ILE 171 Cb 0.47 -2.44 1.02 0.00 -0.75 0.00 0.00 39.64 37.94 3juy n ILE 171 CO 0.00 0.00 0.00 0.08 0.56 0.00 0.00 176.55 177.19 3juy h ARG 172 N 6.48 0.00 -0.01 0.38 -0.00 -1.92 -2.15 114.38 117.15 3juy h ARG 172 Ca 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.23 3juy h ARG 172 Cb 0.80 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.77 3juy h ARG 172 CO 1.20 0.00 -0.27 -1.13 -0.00 0.00 0.00 179.97 179.77 3juy n SER 173 N -2.94 1.59 -2.40 0.08 3.41 -1.26 -4.94 113.62 107.16 3juy n SER 173 Ca -0.02 -1.27 -0.14 0.00 -0.26 0.00 0.00 58.87 57.17 3juy n SER 173 Cb 0.11 0.22 -0.01 0.00 -0.26 0.00 0.00 64.21 64.27 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 -0.16 -2.06 -2.42 4.33 1.74 -0.81 -4.86 116.66 112.42 3juy n ARG 174 Ca 0.12 0.71 -0.42 0.00 -0.77 0.00 0.00 57.85 57.49 3juy n ARG 174 Cb 0.41 -5.31 0.00 0.00 -1.02 0.00 0.00 32.46 26.54 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 -2.83 3.93 -5.11 5.56 1.74 -1.26 -3.18 116.66 115.51 3juy n ARG 175 Ca -0.17 -3.73 -0.32 0.00 -0.77 0.00 0.00 57.85 52.86 3juy n ARG 175 Cb 0.63 -2.81 -0.16 0.00 -1.02 0.00 0.00 32.46 29.10 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 -0.47 2.38 0.22 1.55 1.01 -1.26 -1.86 120.40 121.97 3juy s VAL 176 Ca 0.40 -0.93 0.06 0.00 0.00 0.00 0.00 61.98 61.51 3juy s VAL 176 Cb 0.10 -1.91 -0.05 0.00 0.00 0.00 0.00 36.38 34.52 3juy s VAL 176 CO 0.01 0.56 -0.10 0.00 0.00 0.00 0.00 175.10 175.57 3juy s ALA 177 N -0.02 1.99 -0.03 5.51 0.00 0.17 -0.69 121.76 128.68 3juy s ALA 177 Ca -0.06 -1.71 0.03 0.00 0.00 0.00 0.00 51.96 50.22 3juy s ALA 177 Cb -0.15 0.07 -0.00 0.00 0.00 0.00 0.00 23.12 23.04 3juy s ALA 177 CO 0.05 -0.03 -0.13 -1.58 0.00 0.00 0.00 175.76 174.08 3juy s TRP 178 N -3.09 1.27 0.00 0.00 0.52 0.12 -1.20 118.94 116.57 3juy s TRP 178 Ca 0.24 -0.33 0.08 0.00 0.02 0.00 0.00 56.10 56.10 3juy s TRP 178 Cb 0.02 -0.88 -0.02 0.00 -1.15 0.00 0.00 33.47 31.44 3juy s TRP 178 CO 0.07 -0.12 -0.25 0.71 0.02 0.00 0.00 176.95 177.39 3juy s TYR 179 N 0.09 2.19 -0.17 -1.98 1.51 0.56 -0.61 117.35 118.94 3juy s TYR 179 Ca -0.03 -0.41 -0.09 0.00 -1.01 0.00 0.00 57.07 55.53 3juy s TYR 179 Cb -0.09 -1.38 -0.05 0.00 -0.11 0.00 0.00 41.96 40.33 3juy s TYR 179 CO 0.01 0.01 0.13 -1.14 -1.11 0.00 0.00 175.55 173.45 3juy s GLN 180 N -0.79 3.94 -0.13 -0.62 0.74 -0.97 -1.15 119.66 120.69 3juy s GLN 180 Ca 0.10 -0.20 -0.01 0.00 0.05 0.00 0.00 55.36 55.30 3juy s GLN 180 Cb -0.09 -3.34 0.04 0.00 1.10 0.00 0.00 33.01 30.72 3juy s GLN 180 CO 0.00 0.45 -0.04 -1.58 -0.55 0.00 0.00 175.29 173.57 3juy s HIS 181 N -0.08 1.33 -0.46 1.67 2.46 0.35 -1.16 115.29 119.40 3juy s HIS 181 Ca 0.10 -0.75 -0.11 0.00 0.47 0.00 0.00 55.06 54.77 3juy s HIS 181 Cb -0.11 -1.14 0.10 0.00 -0.13 0.00 0.00 32.58 31.29 3juy s HIS 181 CO -0.00 -0.52 0.34 0.15 -2.47 0.00 0.00 174.74 172.24 3juy s LYS 182 N 1.76 2.63 0.19 2.88 1.02 -1.26 -0.93 119.74 126.03 3juy s LYS 182 Ca 0.03 -1.61 -0.32 0.00 0.02 0.00 0.00 55.97 54.09 3juy s LYS 182 Cb -0.14 -3.94 -0.16 0.00 -0.52 0.00 0.00 37.83 33.08 3juy s LYS 182 CO -0.07 -1.11 1.09 -2.30 -0.92 0.00 0.00 175.35 172.03 3juy n PRO 183 N 4.98 1.09 0.00 -1.68 -0.02 -1.26 -0.33 135.00 137.79 3juy n PRO 183 Ca -0.10 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 61.77 3juy n PRO 183 Cb 0.42 -1.83 0.00 0.00 -0.02 0.00 0.00 33.50 32.07 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 1.84 2.81 3.81 -1.23 0.00 -1.26 -5.05 105.19 106.11 3juy n GLY 184 Ca 0.14 -0.72 -0.32 0.00 0.00 0.00 0.00 46.02 45.13 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 0.43 1.61 -0.21 0.56 -4.91 119.66 120.25 3juy s GLN 185 Ca 0.00 1.10 -0.24 0.00 0.02 0.00 0.00 55.36 56.24 3juy s GLN 185 Cb 0.00 -2.01 -0.08 0.00 1.00 0.00 0.00 33.01 31.92 3juy s GLN 185 CO 0.00 -0.97 1.19 0.00 -2.12 0.00 0.00 175.29 173.39 3juy s ALA 186 N -2.72 3.08 0.98 6.09 0.00 -1.26 -4.62 121.76 123.30 3juy s ALA 186 Ca 0.61 1.00 -0.12 0.00 0.00 0.00 0.00 51.96 53.45 3juy s ALA 186 Cb -0.15 -3.40 0.18 0.00 0.00 0.00 0.00 23.12 19.74 3juy s ALA 186 CO 0.45 -0.65 1.08 -2.14 0.00 0.00 0.00 175.76 174.50 3juy s PRO 187 N -2.48 0.55 -0.20 0.00 0.02 -1.26 -4.71 135.00 126.92 3juy s PRO 187 Ca 0.60 0.91 -0.04 0.00 0.02 0.00 0.00 61.00 62.50 3juy s PRO 187 Cb -0.31 -1.72 0.10 0.00 0.02 0.00 0.00 34.50 32.59 3juy s PRO 187 CO 0.39 -2.75 0.28 0.50 -0.33 0.00 0.00 177.00 175.09 3juy s ARG 188 N -4.77 0.23 0.17 5.54 3.52 -0.31 -4.41 118.95 118.92 3juy s ARG 188 Ca 0.65 0.45 -0.33 0.00 -0.13 0.00 0.00 55.73 56.37 3juy s ARG 188 Cb -0.21 -0.68 -0.16 0.00 -1.56 0.00 0.00 34.95 32.34 3juy s ARG 188 CO 0.59 -0.55 1.16 -0.11 -0.81 0.00 0.00 175.30 175.58 3juy n LEU 189 N 5.34 1.48 0.02 -0.88 7.94 -1.26 -2.28 117.00 127.37 3juy n LEU 189 Ca -0.05 1.14 -0.02 0.00 -1.11 0.00 0.00 56.01 55.97 3juy n LEU 189 Cb 0.50 -1.21 -0.01 0.00 0.53 0.00 0.00 43.42 43.23 3juy n LEU 189 CO 0.06 -1.32 -0.14 0.52 -1.11 0.00 0.00 177.39 175.41 3juy n VAL 190 N 1.51 1.24 -4.98 1.96 0.31 0.22 -4.72 118.33 113.87 3juy n VAL 190 Ca 0.15 0.35 -0.28 0.00 -0.01 0.00 0.00 64.34 64.55 3juy n VAL 190 Cb 0.24 -1.71 -0.16 0.00 -0.91 0.00 0.00 33.84 31.30 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 -2.15 1.66 0.14 2.52 -1.09 -1.10 -0.82 121.20 120.37 3juy s ILE 191 Ca -0.05 -0.83 0.05 0.00 -2.23 0.00 0.00 60.65 57.59 3juy s ILE 191 Cb 0.01 -1.42 -0.04 0.00 -1.58 0.00 0.00 42.46 39.42 3juy s ILE 191 CO 0.07 0.47 -0.11 -1.38 -1.23 0.00 0.00 174.94 172.76 3juy s HIS 192 N 0.07 1.30 -1.38 3.97 -3.43 -1.12 0.12 115.29 114.83 3juy s HIS 192 Ca -0.07 -0.70 -0.05 0.00 -0.80 0.00 0.00 55.06 53.45 3juy s HIS 192 Cb -0.13 -0.66 0.03 0.00 -1.43 0.00 0.00 32.58 30.38 3juy s HIS 192 CO 0.04 0.11 0.84 0.41 -2.00 0.00 0.00 174.74 174.13 3juy n GLY 193 N -0.03 -0.37 5.00 -1.38 0.00 -0.81 -1.88 105.19 105.72 3juy n GLY 193 Ca -0.11 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -4.44 0.00 0.00 1.61 0.31 0.13 -3.75 118.33 112.18 3juy n VAL 194 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 3juy n VAL 194 Cb 0.62 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.55 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 1.38 0.07 -4.78 4.52 3.41 -1.24 -3.35 113.62 113.63 3juy n SER 195 Ca 0.00 -0.48 -0.30 0.00 -0.26 0.00 0.00 58.87 57.83 3juy n SER 195 Cb 0.00 0.98 0.10 0.00 -0.26 0.00 0.00 64.21 65.04 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 -1.00 4.21 -0.10 4.04 -0.87 -0.79 -4.38 114.94 116.06 3juy s ASN 196 Ca 0.00 1.38 0.00 0.00 -1.57 0.00 0.00 52.86 52.67 3juy s ASN 196 Cb 0.00 -2.10 0.02 0.00 -0.02 0.00 0.00 41.25 39.15 3juy s ASN 196 CO 0.00 -2.16 -0.09 -0.60 -2.57 0.00 0.00 177.10 171.68 3juy s ARG 197 N -5.08 1.59 0.55 -0.60 3.52 -1.26 -2.79 118.95 114.88 3juy s ARG 197 Ca 0.61 -0.31 -0.20 0.00 -0.13 0.00 0.00 55.73 55.71 3juy s ARG 197 Cb -0.15 -1.54 -0.06 0.00 -1.56 0.00 0.00 34.95 31.63 3juy s ARG 197 CO 0.55 -0.18 0.99 0.00 -0.81 0.00 0.00 175.30 175.85 3juy n ALA 198 N 4.60 0.25 -1.69 6.12 0.00 0.00 -4.92 120.51 124.88 3juy n ALA 198 Ca -0.16 0.06 -0.38 0.00 0.00 0.00 0.00 53.44 52.97 3juy n ALA 198 Cb 0.50 -2.11 0.05 0.00 0.00 0.00 0.00 19.45 17.89 3juy n ALA 198 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3juy n SER 199 N -0.43 1.84 -0.14 0.00 3.41 -1.26 -2.23 113.62 114.81 3juy n SER 199 Ca 0.12 0.89 -0.02 0.00 -0.26 0.00 0.00 58.87 59.61 3juy n SER 199 Cb 0.45 -1.50 -0.01 0.00 -0.26 0.00 0.00 64.21 62.90 3juy n SER 199 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3juy n GLY 200 N 0.99 0.47 3.53 5.00 0.00 -1.26 -4.99 105.19 108.93 3juy n GLY 200 Ca 0.13 -0.17 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.79 4.58 0.39 -0.61 -1.09 -0.95 -5.07 121.20 116.66 3juy s ILE 201 Ca 0.00 -0.09 -0.26 0.00 -2.23 0.00 0.00 60.65 58.08 3juy s ILE 201 Cb 0.00 -3.12 -0.11 0.00 -1.58 0.00 0.00 42.46 37.65 3juy s ILE 201 CO 0.00 0.37 1.07 -0.24 -1.23 0.00 0.00 174.94 174.92 3juy n SER 202 N 4.43 1.61 0.00 3.58 2.88 -1.26 -4.86 113.62 119.99 3juy n SER 202 Ca -0.16 1.09 0.06 0.00 -1.33 0.00 0.00 58.87 58.53 3juy n SER 202 Cb 0.52 -1.38 0.34 0.00 -0.75 0.00 0.00 64.21 62.95 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 0.64 0.00 0.23 -3.46 5.68 -1.26 -2.00 116.55 116.37 3juy n ASP 203 Ca 0.08 -0.22 0.15 0.00 -0.50 0.00 0.00 54.79 54.31 3juy n ASP 203 Cb 0.37 -0.10 0.57 0.00 -1.14 0.00 0.00 41.12 40.82 3juy n ASP 203 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 3juy h ARG 204 N 0.00 0.00 -5.93 0.11 3.08 -1.92 -3.43 114.38 106.29 3juy h ARG 204 Ca 0.00 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.47 3juy h ARG 204 Cb 0.04 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.02 3juy h ARG 204 CO 0.00 0.00 -0.12 -0.06 -1.07 0.00 0.00 179.97 178.72 3juy s PHE 205 N -3.50 3.63 -0.02 3.04 0.40 -0.85 -1.33 117.98 119.35 3juy s PHE 205 Ca 0.03 1.02 -0.03 0.00 -0.60 0.00 0.00 56.93 57.35 3juy s PHE 205 Cb 0.09 -2.49 0.00 0.00 0.51 0.00 0.00 43.02 41.13 3juy s PHE 205 CO 0.53 0.37 0.07 -1.54 0.70 0.00 0.00 175.22 175.35 3juy s SER 206 N -0.15 -0.04 0.10 1.36 1.04 0.96 -4.98 113.70 111.98 3juy s SER 206 Ca 0.27 0.07 0.08 0.00 0.48 0.00 0.00 55.95 56.84 3juy s SER 206 Cb -0.17 0.16 -0.04 0.00 0.10 0.00 0.00 66.02 66.08 3juy s SER 206 CO 0.13 -0.08 -0.16 -0.83 0.98 0.00 0.00 173.24 173.28 3juy s GLY 207 N -0.21 1.70 0.13 7.32 0.00 -1.26 -0.44 107.32 114.55 3juy s GLY 207 Ca -0.03 -1.28 -0.12 0.00 0.00 0.00 0.00 44.72 43.29 3juy s GLY 207 CO 0.00 -1.24 0.59 -1.14 0.00 0.00 0.00 173.10 171.31 3juy n SER 208 N 0.95 -1.08 0.00 1.64 3.41 -0.69 -4.25 113.62 113.60 3juy n SER 208 Ca -0.15 -1.60 0.00 0.00 -0.26 0.00 0.00 58.87 56.86 3juy n SER 208 Cb 0.52 1.76 0.00 0.00 -0.26 0.00 0.00 64.21 66.24 3juy n SER 208 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3juy n GLY 209 N -0.41 -0.51 0.00 5.00 0.00 -1.26 -0.58 105.19 107.43 3juy n GLY 209 Ca -0.02 -2.22 0.00 0.00 0.00 0.00 0.00 46.02 43.78 3juy n GLY 209 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3juy n SER 210 N 0.00 0.00 0.00 1.61 3.41 -0.46 -4.96 113.62 113.22 3juy n SER 210 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3juy n SER 210 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3juy n SER 210 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3juy n GLY 211 N -0.56 1.07 0.00 5.00 0.00 -1.26 -2.76 105.19 106.68 3juy n GLY 211 Ca 0.00 0.33 0.03 0.00 0.00 0.00 0.00 46.02 46.38 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 -4.36 2.61 -1.04 -1.26 -0.91 114.28 109.32 3juy n THR 212 Ca 0.00 -0.30 -0.28 0.00 -2.04 0.00 0.00 64.05 61.43 3juy n THR 212 Cb 0.00 0.86 -0.17 0.00 -1.82 0.00 0.00 70.33 69.20 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 -1.90 2.28 0.13 8.00 1.01 -1.11 -0.82 116.67 124.26 3juy s ASP 213 Ca 0.01 -0.39 0.07 0.00 0.71 0.00 0.00 52.55 52.95 3juy s ASP 213 Cb 0.05 -1.00 -0.04 0.00 1.01 0.00 0.00 42.92 42.94 3juy s ASP 213 CO 0.28 -0.01 -0.15 -0.36 0.21 0.00 0.00 175.17 175.14 3juy s PHE 214 N 1.08 1.50 -0.08 4.23 0.08 0.06 -1.36 117.98 123.49 3juy s PHE 214 Ca -0.05 -0.52 -0.06 0.00 0.12 0.00 0.00 56.93 56.42 3juy s PHE 214 Cb -0.15 -0.79 0.03 0.00 -0.57 0.00 0.00 43.02 41.55 3juy s PHE 214 CO -0.02 0.18 0.21 0.95 -0.10 0.00 0.00 175.22 176.44 3juy s THR 215 N -1.98 -0.02 0.01 0.64 -4.23 0.26 -0.46 115.64 109.86 3juy s THR 215 Ca 0.09 0.07 -0.01 0.00 -1.18 0.00 0.00 61.69 60.66 3juy s THR 215 Cb -0.06 -0.31 -0.04 0.00 1.34 0.00 0.00 72.50 73.43 3juy s THR 215 CO 0.04 0.03 0.14 -0.22 -0.54 0.00 0.00 174.62 174.07 3juy s LEU 216 N 0.62 4.16 -0.14 4.79 2.96 -0.72 -1.71 118.68 128.65 3juy s LEU 216 Ca -0.04 0.24 -0.04 0.00 -0.22 0.00 0.00 54.13 54.07 3juy s LEU 216 Cb -0.06 -2.52 0.07 0.00 0.50 0.00 0.00 46.19 44.18 3juy s LEU 216 CO -0.03 0.25 0.21 -0.89 -1.32 0.00 0.00 176.35 174.56 3juy s THR 217 N -1.30 -0.32 -0.04 3.68 2.01 0.42 -1.26 115.64 118.83 3juy s THR 217 Ca 0.27 0.16 -0.16 0.00 0.31 0.00 0.00 61.69 62.27 3juy s THR 217 Cb -0.12 -0.47 -0.05 0.00 0.01 0.00 0.00 72.50 71.86 3juy s THR 217 CO 0.18 0.01 0.44 -0.63 -0.69 0.00 0.00 174.62 173.93 3juy s ILE 218 N 2.34 5.06 -0.13 1.82 1.01 -0.87 -0.03 121.20 130.40 3juy s ILE 218 Ca 0.04 0.90 -0.27 0.00 0.00 0.00 0.00 60.65 61.32 3juy s ILE 218 Cb -0.13 -3.76 -0.24 0.00 0.01 0.00 0.00 42.46 38.33 3juy s ILE 218 CO -0.09 0.49 0.78 0.71 0.00 0.00 0.00 174.94 176.83 3juy h THR 219 N 4.06 1.67 -3.46 2.92 1.35 -1.48 -1.10 112.91 116.87 3juy h THR 219 Ca -0.47 -2.17 -0.60 0.00 -0.55 0.00 0.00 66.41 62.62 3juy h THR 219 Cb 1.20 3.11 -0.39 0.00 -1.73 0.00 0.00 68.15 70.34 3juy h THR 219 CO 0.67 0.55 -0.76 0.00 -0.25 0.00 0.00 175.52 175.73 3juy s ARG 220 N -2.38 1.21 0.18 4.72 1.70 -1.25 -3.22 118.95 119.91 3juy s ARG 220 Ca -0.18 -1.12 -0.33 0.00 -0.47 0.00 0.00 55.73 53.64 3juy s ARG 220 Cb -0.02 -2.46 -0.14 0.00 -0.57 0.00 0.00 34.95 31.76 3juy s ARG 220 CO 0.65 -0.78 1.55 0.28 -1.08 0.00 0.00 175.30 175.92 3juy n VAL 221 N 4.69 0.24 -3.71 4.99 0.31 0.20 -4.76 118.33 120.29 3juy n VAL 221 Ca -0.06 -0.06 -0.17 0.00 -0.01 0.00 0.00 64.34 64.04 3juy n VAL 221 Cb 0.43 -1.55 0.00 0.00 -0.91 0.00 0.00 33.84 31.81 3juy n VAL 221 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3juy n GLU 222 N 3.09 0.94 -0.04 5.55 -0.58 -1.26 -0.80 120.64 127.54 3juy n GLU 222 Ca 0.15 -2.26 -0.12 0.00 -0.42 0.00 0.00 57.16 54.52 3juy n GLU 222 Cb 0.30 0.22 -0.07 0.00 -0.57 0.00 0.00 31.44 31.31 3juy n GLU 222 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 3juy h PRO 223 N 0.00 0.22 -0.30 3.49 0.11 -1.99 -3.23 132.00 130.30 3juy h PRO 223 Ca -0.23 -0.08 0.00 0.00 0.11 0.00 0.00 66.00 65.80 3juy h PRO 223 Cb 0.84 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.94 3juy h PRO 223 CO 0.35 0.52 0.00 -0.85 -0.21 0.00 0.00 178.00 177.82 3juy n GLU 224 N -4.75 1.49 0.00 1.05 0.00 -1.26 -3.33 120.64 113.84 3juy n GLU 224 Ca -0.06 -0.64 0.14 0.00 0.00 0.00 0.00 57.16 56.60 3juy n GLU 224 Cb 0.24 -1.23 0.57 0.00 0.00 0.00 0.00 31.44 31.02 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 0.03 0.87 -4.58 -1.84 8.00 -1.22 -4.84 116.55 112.97 3juy n ASP 225 Ca 0.06 -0.99 -0.43 0.00 0.71 0.00 0.00 54.79 54.14 3juy n ASP 225 Cb 0.20 0.01 -0.03 0.00 -0.02 0.00 0.00 41.12 41.29 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 -2.28 2.76 0.00 1.24 2.99 -1.21 -4.89 117.98 116.59 3juy s PHE 226 Ca 0.33 0.48 0.00 0.00 0.00 0.00 0.00 56.93 57.74 3juy s PHE 226 Cb 0.20 -4.35 0.00 0.00 0.00 0.00 0.00 43.02 38.87 3juy s PHE 226 CO 0.43 -1.36 0.00 0.00 -0.00 0.00 0.00 175.22 174.29 3juy n ALA 227 N 7.90 0.00 -2.68 5.36 0.00 -1.15 -4.96 120.51 124.98 3juy n ALA 227 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.15 3juy n ALA 227 Cb 0.49 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.88 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 4.43 -0.13 0.00 1.43 -0.11 -1.87 118.68 122.43 3juy s LEU 228 Ca 0.00 0.73 0.03 0.00 -1.03 0.00 0.00 54.13 53.86 3juy s LEU 228 Cb 0.00 -2.35 0.01 0.00 0.03 0.00 0.00 46.19 43.87 3juy s LEU 228 CO 0.00 0.35 -0.22 -0.31 0.23 0.00 0.00 176.35 176.41 3juy s TYR 229 N -1.00 2.66 -0.04 0.29 2.02 -0.91 0.13 117.35 120.50 3juy s TYR 229 Ca 0.20 -1.24 0.06 0.00 -0.37 0.00 0.00 57.07 55.71 3juy s TYR 229 Cb -0.14 -1.80 -0.01 0.00 -0.40 0.00 0.00 41.96 39.60 3juy s TYR 229 CO 0.09 -0.55 -0.23 0.71 -1.57 0.00 0.00 175.55 174.00 3juy s TYR 230 N 0.71 2.19 0.28 2.71 1.51 -0.30 -1.14 117.35 123.32 3juy s TYR 230 Ca -0.09 -0.58 0.06 0.00 -1.01 0.00 0.00 57.07 55.45 3juy s TYR 230 Cb -0.16 -1.44 -0.03 0.00 -0.11 0.00 0.00 41.96 40.23 3juy s TYR 230 CO 0.01 -0.15 0.33 0.00 -1.11 0.00 0.00 175.55 174.62 3juy s GLN 232 N -3.99 0.75 -0.22 0.00 0.74 -0.34 -1.51 119.66 115.09 3juy s GLN 232 Ca 0.38 0.68 -0.06 0.00 0.05 0.00 0.00 55.36 56.40 3juy s GLN 232 Cb -0.08 0.36 -0.03 0.00 1.10 0.00 0.00 33.01 34.36 3juy s GLN 232 CO 0.28 -0.13 0.04 0.08 -0.55 0.00 0.00 175.29 175.01 3juy s VAL 233 N -0.02 4.15 0.43 1.34 1.01 -0.89 -0.66 120.40 125.76 3juy s VAL 233 Ca -0.03 -0.23 0.01 0.00 0.00 0.00 0.00 61.98 61.73 3juy s VAL 233 Cb -0.04 -2.91 0.01 0.00 0.00 0.00 0.00 36.38 33.44 3juy s VAL 233 CO 0.02 0.39 0.07 0.00 0.00 0.00 0.00 175.10 175.58 3juy n TYR 234 N 4.56 0.66 0.00 5.22 0.18 -0.78 -2.48 117.16 124.52 3juy n TYR 234 Ca -0.17 -2.07 0.00 0.00 1.88 0.00 0.00 57.90 57.55 3juy n TYR 234 Cb 0.52 -0.30 0.00 0.00 -0.38 0.00 0.00 39.34 39.18 3juy n TYR 234 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 3juy n GLY 235 N -0.17 -0.60 0.14 -7.48 0.00 -1.23 -4.81 105.19 91.04 3juy n GLY 235 Ca -0.15 -0.49 -0.24 0.00 0.00 0.00 0.00 46.02 45.15 3juy n GLY 235 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3juy h ALA 236 N 0.00 -0.09 0.00 4.61 0.00 -1.93 -3.42 119.26 118.43 3juy h ALA 236 Ca 0.00 -0.90 0.00 0.00 0.00 0.00 0.00 54.91 54.01 3juy h ALA 236 Cb 0.00 0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3juy h ALA 236 CO 0.00 0.77 -0.18 0.43 0.00 0.00 0.00 179.25 180.27 3juy n SER 237 N -3.68 0.00 -3.61 0.00 7.64 -1.26 -5.03 113.62 107.68 3juy n SER 237 Ca -0.17 -1.36 -0.11 0.00 1.01 0.00 0.00 58.87 58.24 3juy n SER 237 Cb 1.10 -0.07 -0.11 0.00 -1.01 0.00 0.00 64.21 64.12 3juy n SER 237 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3juy s SER 238 N -0.36 0.12 -0.20 6.43 1.04 -1.26 -4.96 113.70 114.50 3juy s SER 238 Ca 0.00 0.68 -0.03 0.00 0.48 0.00 0.00 55.95 57.08 3juy s SER 238 Cb 0.00 1.04 0.07 0.00 0.10 0.00 0.00 66.02 67.22 3juy s SER 238 CO 0.00 -0.25 0.06 -0.31 0.98 0.00 0.00 173.24 173.72 3juy s TYR 239 N 2.52 0.87 0.05 5.02 1.51 -1.26 -3.50 117.35 122.56 3juy s TYR 239 Ca 0.02 -0.82 0.08 0.00 -1.01 0.00 0.00 57.07 55.34 3juy s TYR 239 Cb -0.13 -1.00 -0.03 0.00 -0.11 0.00 0.00 41.96 40.69 3juy s TYR 239 CO -0.12 -0.62 -0.21 0.95 -1.11 0.00 0.00 175.55 174.44 3juy s THR 240 N 1.91 2.54 0.20 -0.71 -4.23 -1.04 -4.49 115.64 109.82 3juy s THR 240 Ca 0.01 -1.29 0.07 0.00 -1.18 0.00 0.00 61.69 59.30 3juy s THR 240 Cb -0.17 -2.05 -0.04 0.00 1.34 0.00 0.00 72.50 71.58 3juy s THR 240 CO -0.11 0.33 0.06 -0.36 -0.54 0.00 0.00 174.62 174.00 3juy s PHE 241 N -0.89 2.92 0.77 3.99 0.40 -1.26 -2.10 117.98 121.81 3juy s PHE 241 Ca 0.14 -0.12 -0.08 0.00 -0.60 0.00 0.00 56.93 56.27 3juy s PHE 241 Cb -0.10 -1.38 0.11 0.00 0.51 0.00 0.00 43.02 42.15 3juy s PHE 241 CO 0.04 0.53 1.08 0.20 0.70 0.00 0.00 175.22 177.78 3juy s GLY 242 N -3.22 1.72 0.21 4.36 0.00 -0.57 -4.44 107.32 105.39 3juy s GLY 242 Ca 0.30 -1.15 0.25 0.00 0.00 0.00 0.00 44.72 44.12 3juy s GLY 242 CO 0.21 -0.63 1.76 0.61 0.00 0.00 0.00 173.10 175.05 3juy n GLN 243 N -3.11 0.22 0.00 2.90 0.00 -1.26 -4.73 117.38 111.40 3juy n GLN 243 Ca 0.11 0.27 0.00 0.00 0.00 0.00 0.00 57.00 57.38 3juy n GLN 243 Cb 0.60 -1.80 0.00 0.00 0.00 0.00 0.00 30.24 29.04 3juy n GLN 243 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3juy n GLY 244 N 0.85 0.26 2.78 2.61 0.00 -1.26 -4.95 105.19 105.49 3juy n GLY 244 Ca 0.04 -1.72 -0.21 0.00 0.00 0.00 0.00 46.02 44.14 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 -3.00 0.30 -0.21 2.61 2.01 -0.29 -4.79 115.64 112.27 3juy s THR 245 Ca 0.00 0.12 -0.23 0.00 0.31 0.00 0.00 61.69 61.89 3juy s THR 245 Cb 0.00 -0.44 -0.01 0.00 0.01 0.00 0.00 72.50 72.05 3juy s THR 245 CO 0.00 0.22 0.76 -0.75 -0.69 0.00 0.00 174.62 174.17 3juy s LYS 246 N 1.68 4.22 -0.52 4.92 2.20 -0.83 -2.15 119.74 129.26 3juy s LYS 246 Ca 0.00 0.85 -0.19 0.00 -0.36 0.00 0.00 55.97 56.28 3juy s LYS 246 Cb -0.13 -3.61 0.07 0.00 -1.51 0.00 0.00 37.83 32.65 3juy s LYS 246 CO -0.04 -0.39 0.61 -1.17 -0.36 0.00 0.00 175.35 174.00 3juy s LEU 247 N 2.39 5.16 0.11 5.43 2.96 -0.78 -1.14 118.68 132.81 3juy s LEU 247 Ca 0.34 -1.08 0.10 0.00 -0.22 0.00 0.00 54.13 53.27 3juy s LEU 247 Cb -0.16 -2.38 -0.04 0.00 0.50 0.00 0.00 46.19 44.11 3juy s LEU 247 CO 0.10 -0.90 -0.25 -1.83 -1.32 0.00 0.00 176.35 172.14 3juy s GLU 248 N 2.49 1.53 0.00 1.98 -1.05 -1.15 -2.94 118.70 119.56 3juy s GLU 248 Ca 0.13 -1.28 0.15 0.00 -0.15 0.00 0.00 54.97 53.82 3juy s GLU 248 Cb -0.21 -1.95 0.91 0.00 -0.44 0.00 0.00 34.13 32.43 3juy s GLU 248 CO 0.10 0.47 1.32 -2.13 0.95 0.00 0.00 175.26 175.97