#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 3.41 -0.02 -0.39 1.01 -1.26 -4.24 120.40 118.91 3juy s VAL 2 Ca 0.00 0.48 -0.01 0.00 0.00 0.00 0.00 61.98 62.46 3juy s VAL 2 Cb 0.00 -3.35 0.02 0.00 0.00 0.00 0.00 36.38 33.05 3juy s VAL 2 CO 0.00 -0.08 0.03 -1.58 0.00 0.00 0.00 175.10 173.47 3juy s GLN 3 N 4.45 0.00 -0.16 2.72 0.74 -0.69 -5.03 119.66 121.69 3juy s GLN 3 Ca 0.79 0.12 -0.01 0.00 0.05 0.00 0.00 55.36 56.31 3juy s GLN 3 Cb -0.34 -0.10 -0.01 0.00 1.10 0.00 0.00 33.01 33.65 3juy s GLN 3 CO 0.33 -0.08 -0.11 -0.51 -0.55 0.00 0.00 175.29 174.37 3juy s LEU 4 N 0.51 2.72 -0.15 3.68 1.43 -1.26 -1.54 118.68 124.07 3juy s LEU 4 Ca -0.04 -0.37 -0.02 0.00 -1.03 0.00 0.00 54.13 52.68 3juy s LEU 4 Cb -0.06 -1.63 -0.02 0.00 0.03 0.00 0.00 46.19 44.51 3juy s LEU 4 CO -0.02 0.11 -0.09 -0.69 0.23 0.00 0.00 176.35 175.89 3juy s VAL 5 N 0.69 3.32 0.17 -1.59 1.01 -0.09 -4.32 120.40 119.59 3juy s VAL 5 Ca -0.06 -0.55 0.05 0.00 0.00 0.00 0.00 61.98 61.42 3juy s VAL 5 Cb -0.15 -2.43 -0.04 0.00 0.00 0.00 0.00 36.38 33.76 3juy s VAL 5 CO 0.02 0.50 0.12 -1.10 0.00 0.00 0.00 175.10 174.64 3juy s GLN 6 N 0.56 2.83 1.23 2.72 -0.21 -1.26 -0.78 119.66 124.75 3juy s GLN 6 Ca -0.06 -0.91 -0.17 0.00 0.02 0.00 0.00 55.36 54.25 3juy s GLN 6 Cb -0.15 -2.60 0.30 0.00 1.00 0.00 0.00 33.01 31.55 3juy s GLN 6 CO 0.03 0.48 1.02 -1.54 -2.12 0.00 0.00 175.29 173.16 3juy s SER 7 N -3.09 0.58 0.86 5.90 1.04 -1.09 -5.02 113.70 112.89 3juy s SER 7 Ca 0.30 1.10 -0.11 0.00 0.48 0.00 0.00 55.95 57.72 3juy s SER 7 Cb -0.10 -1.66 0.15 0.00 0.10 0.00 0.00 66.02 64.51 3juy s SER 7 CO 0.23 -4.39 1.20 -0.83 0.98 0.00 0.00 173.24 170.43 3juy s GLY 8 N -3.09 1.73 0.66 7.32 0.00 -1.26 -4.74 107.32 107.94 3juy s GLY 8 Ca 0.68 -1.16 -0.17 0.00 0.00 0.00 0.00 44.72 44.07 3juy s GLY 8 CO 0.60 -0.53 1.26 0.00 0.00 0.00 0.00 173.10 174.43 3juy s ALA 9 N -3.62 2.35 -0.04 3.20 0.00 -1.26 -4.77 121.76 117.63 3juy s ALA 9 Ca 0.69 1.10 -0.02 0.00 0.00 0.00 0.00 51.96 53.72 3juy s ALA 9 Cb -0.06 -3.51 0.02 0.00 0.00 0.00 0.00 23.12 19.56 3juy s ALA 9 CO 0.50 -1.58 0.09 -1.21 0.00 0.00 0.00 175.76 173.56 3juy s GLU 10 N -3.49 0.08 -0.17 0.00 2.02 -0.39 -5.00 118.70 111.75 3juy s GLU 10 Ca 0.80 0.18 -0.03 0.00 0.02 0.00 0.00 54.97 55.94 3juy s GLU 10 Cb -0.34 -0.04 -0.02 0.00 0.10 0.00 0.00 34.13 33.83 3juy s GLU 10 CO 0.40 -0.06 -0.05 0.08 0.02 0.00 0.00 175.26 175.64 3juy s VAL 11 N 0.42 3.64 0.02 2.63 1.01 -1.26 -0.58 120.40 126.28 3juy s VAL 11 Ca -0.03 -0.44 0.04 0.00 0.00 0.00 0.00 61.98 61.55 3juy s VAL 11 Cb -0.05 -2.60 -0.02 0.00 0.00 0.00 0.00 36.38 33.72 3juy s VAL 11 CO -0.02 0.48 -0.13 -0.54 0.00 0.00 0.00 175.10 174.90 3juy s LYS 12 N 0.62 0.89 0.52 2.72 -0.14 0.85 -4.95 119.74 120.25 3juy s LYS 12 Ca -0.03 -0.63 -0.19 0.00 -1.36 0.00 0.00 55.97 53.75 3juy s LYS 12 Cb -0.15 -0.87 -0.07 0.00 -1.68 0.00 0.00 37.83 35.06 3juy s LYS 12 CO 0.03 0.22 1.06 0.15 -0.76 0.00 0.00 175.35 176.05 3juy s LYS 13 N -0.86 3.60 0.40 1.68 1.02 -1.26 -3.43 119.74 120.89 3juy s LYS 13 Ca 0.02 1.40 -0.27 0.00 0.02 0.00 0.00 55.97 57.14 3juy s LYS 13 Cb -0.07 -2.06 -0.10 0.00 -0.52 0.00 0.00 37.83 35.08 3juy s LYS 13 CO 0.01 -0.61 1.41 -2.30 -0.92 0.00 0.00 175.35 172.94 3juy n PRO 14 N -1.24 2.36 0.00 -1.68 -0.02 -1.26 -2.57 135.00 130.59 3juy n PRO 14 Ca 0.10 0.83 0.00 0.00 -2.02 0.00 0.00 63.50 62.41 3juy n PRO 14 Cb 0.52 -2.58 0.00 0.00 -0.02 0.00 0.00 33.50 31.43 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 0.58 2.89 0.74 -1.23 0.00 -0.05 -4.94 105.19 103.19 3juy n GLY 15 Ca 0.04 0.00 -0.06 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 -1.53 -0.27 -2.83 4.61 0.00 -1.06 -3.91 120.51 115.51 3juy n ALA 16 Ca 0.00 -0.34 -0.13 0.00 0.00 0.00 0.00 53.44 52.98 3juy n ALA 16 Cb 0.00 -0.01 -0.11 0.00 0.00 0.00 0.00 19.45 19.33 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 -1.92 0.85 -0.00 0.00 1.04 -1.26 -1.21 113.70 111.19 3juy s SER 17 Ca 0.14 -0.57 0.07 0.00 0.48 0.00 0.00 55.95 56.07 3juy s SER 17 Cb -0.00 0.04 -0.03 0.00 0.10 0.00 0.00 66.02 66.13 3juy s SER 17 CO 0.10 -0.22 -0.21 0.54 0.98 0.00 0.00 173.24 174.43 3juy s VAL 18 N -1.48 2.48 -0.17 5.02 0.11 -0.60 -4.98 120.40 120.78 3juy s VAL 18 Ca -0.09 -1.08 0.01 0.00 -2.93 0.00 0.00 61.98 57.88 3juy s VAL 18 Cb -0.09 -1.95 0.01 0.00 -1.53 0.00 0.00 36.38 32.82 3juy s VAL 18 CO 0.00 0.49 -0.19 -0.75 -3.33 0.00 0.00 175.10 171.32 3juy s LYS 19 N -0.94 3.05 -0.11 1.54 2.20 -1.26 -1.60 119.74 122.62 3juy s LYS 19 Ca 0.12 -0.82 -0.01 0.00 -0.36 0.00 0.00 55.97 54.90 3juy s LYS 19 Cb -0.10 -2.55 -0.03 0.00 -1.51 0.00 0.00 37.83 33.64 3juy s LYS 19 CO 0.01 -0.12 -0.08 0.08 -0.36 0.00 0.00 175.35 174.89 3juy s VAL 20 N 1.09 3.60 0.19 4.02 1.01 0.44 -4.94 120.40 125.80 3juy s VAL 20 Ca -0.00 -0.49 0.06 0.00 0.00 0.00 0.00 61.98 61.55 3juy s VAL 20 Cb -0.14 -2.51 -0.04 0.00 0.00 0.00 0.00 36.38 33.69 3juy s VAL 20 CO -0.07 0.55 0.15 -0.94 0.00 0.00 0.00 175.10 174.78 3juy s SER 21 N -0.17 5.48 -0.30 3.32 1.04 -1.26 -0.24 113.70 121.58 3juy s SER 21 Ca 0.02 -0.18 -0.02 0.00 0.48 0.00 0.00 55.95 56.25 3juy s SER 21 Cb -0.13 -1.41 0.12 0.00 0.10 0.00 0.00 66.02 64.70 3juy s SER 21 CO 0.03 0.04 0.21 0.00 0.98 0.00 0.00 173.24 174.50 3juy s GLN 23 N 2.11 4.07 0.08 0.00 0.74 0.04 -1.66 119.66 125.04 3juy s GLN 23 Ca 0.10 -0.21 -0.03 0.00 0.05 0.00 0.00 55.36 55.27 3juy s GLN 23 Cb -0.16 -3.55 -0.05 0.00 1.10 0.00 0.00 33.01 30.36 3juy s GLN 23 CO -0.31 0.02 0.28 0.00 -0.55 0.00 0.00 175.29 174.73 3juy s ALA 24 N 1.16 3.89 0.05 1.58 0.00 0.70 -0.92 121.76 128.23 3juy s ALA 24 Ca 0.09 -0.68 -0.16 0.00 0.00 0.00 0.00 51.96 51.22 3juy s ALA 24 Cb -0.14 -1.99 0.03 0.00 0.00 0.00 0.00 23.12 21.02 3juy s ALA 24 CO 0.05 0.73 0.35 -1.54 0.00 0.00 0.00 175.76 175.36 3juy s SER 25 N -2.29 -0.19 0.00 0.00 1.04 -0.59 -4.86 113.70 106.82 3juy s SER 25 Ca 0.35 -0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.65 3juy s SER 25 Cb -0.13 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.39 3juy s SER 25 CO 0.24 -0.66 0.00 0.61 0.98 0.00 0.00 173.24 174.41 3juy n GLY 26 N 0.47 0.76 3.77 7.32 0.00 -1.26 -1.71 105.19 114.53 3juy n GLY 26 Ca -0.18 -0.07 -0.03 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.10 -1.02 1.61 -0.85 -1.26 -4.30 117.35 109.42 3juy s TYR 27 Ca 0.00 -0.21 -0.21 0.00 -0.52 0.00 0.00 57.07 56.13 3juy s TYR 27 Cb 0.00 0.65 0.09 0.00 0.38 0.00 0.00 41.96 43.07 3juy s TYR 27 CO 0.00 -0.84 1.36 0.50 -1.52 0.00 0.00 175.55 175.05 3juy s ARG 28 N -3.16 3.65 0.24 -3.49 3.52 -1.26 -4.88 118.95 113.57 3juy s ARG 28 Ca 0.13 -1.51 0.06 0.00 -0.13 0.00 0.00 55.73 54.28 3juy s ARG 28 Cb -0.01 -5.20 0.69 0.00 -1.56 0.00 0.00 34.95 28.87 3juy s ARG 28 CO 0.03 -2.03 1.13 0.34 -0.81 0.00 0.00 175.30 173.95 3juy n PHE 29 N 7.82 0.59 0.20 5.12 7.35 -1.26 -0.87 117.46 136.40 3juy n PHE 29 Ca 0.31 0.86 0.07 0.00 -0.76 0.00 0.00 57.45 57.93 3juy n PHE 29 Cb 0.49 -1.12 0.39 0.00 0.35 0.00 0.00 39.48 39.59 3juy n PHE 29 CO 0.00 0.00 0.00 0.66 -0.76 0.00 0.00 176.76 176.66 3juy h SER 30 N 0.00 0.00 -0.09 -2.13 4.64 -1.93 -3.20 113.55 110.84 3juy h SER 30 Ca 0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.81 3juy h SER 30 Cb 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 3juy h SER 30 CO -0.63 0.32 0.00 1.41 -0.87 0.00 0.00 176.83 177.06 3juy n HIS 31 N -3.51 0.18 -3.69 4.77 8.25 -0.05 -3.05 115.22 118.11 3juy n HIS 31 Ca -0.00 -0.07 -0.16 0.00 -0.26 0.00 0.00 57.72 57.22 3juy n HIS 31 Cb 0.47 -0.05 -0.16 0.00 1.12 0.00 0.00 29.99 31.37 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 -1.66 -0.13 0.50 4.41 0.08 -1.21 -5.07 117.98 114.91 3juy s PHE 32 Ca 0.07 0.50 -0.23 0.00 0.12 0.00 0.00 56.93 57.39 3juy s PHE 32 Cb 0.04 -0.25 -0.06 0.00 -0.57 0.00 0.00 43.02 42.18 3juy s PHE 32 CO 0.04 -0.22 1.29 0.99 -0.10 0.00 0.00 175.22 177.22 3juy s THR 33 N 1.95 2.46 -0.13 0.64 2.01 -1.26 -4.46 115.64 116.84 3juy s THR 33 Ca -0.00 0.35 -0.01 0.00 0.31 0.00 0.00 61.69 62.35 3juy s THR 33 Cb -0.12 -3.18 -0.02 0.00 0.01 0.00 0.00 72.50 69.19 3juy s THR 33 CO -0.05 0.00 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.08 3juy s VAL 34 N -1.37 3.21 0.14 3.82 1.01 0.15 -1.92 120.40 125.44 3juy s VAL 34 Ca 0.67 -0.61 -0.07 0.00 0.00 0.00 0.00 61.98 61.97 3juy s VAL 34 Cb -0.37 -2.36 -0.06 0.00 0.00 0.00 0.00 36.38 33.60 3juy s VAL 34 CO 0.44 0.52 0.42 -1.00 0.00 0.00 0.00 175.10 175.48 3juy s HIS 35 N 0.27 3.50 -0.11 5.22 3.76 0.21 -0.87 115.29 127.26 3juy s HIS 35 Ca -0.08 0.68 0.03 0.00 -0.15 0.00 0.00 55.06 55.54 3juy s HIS 35 Cb -0.15 -2.10 -0.00 0.00 1.11 0.00 0.00 32.58 31.44 3juy s HIS 35 CO 0.05 0.43 -0.21 -1.58 -0.85 0.00 0.00 174.74 172.58 3juy s TRP 36 N -1.61 2.64 0.02 1.40 0.52 0.10 -0.77 118.94 121.24 3juy s TRP 36 Ca 0.40 -0.94 0.02 0.00 0.02 0.00 0.00 56.10 55.60 3juy s TRP 36 Cb -0.12 -1.75 -0.01 0.00 -1.15 0.00 0.00 33.47 30.43 3juy s TRP 36 CO 0.22 -0.36 -0.07 0.08 0.02 0.00 0.00 176.95 176.84 3juy s VAL 37 N 0.36 0.49 0.15 4.03 1.01 0.62 -0.58 120.40 126.47 3juy s VAL 37 Ca -0.16 -0.62 0.06 0.00 0.00 0.00 0.00 61.98 61.26 3juy s VAL 37 Cb -0.17 -0.48 -0.04 0.00 0.00 0.00 0.00 36.38 35.69 3juy s VAL 37 CO 0.08 -0.10 -0.13 0.00 0.00 0.00 0.00 175.10 174.94 3juy s ARG 38 N -0.78 1.11 -0.18 2.72 1.70 0.59 0.12 118.95 124.22 3juy s ARG 38 Ca -0.03 -1.38 -0.04 0.00 -0.47 0.00 0.00 55.73 53.80 3juy s ARG 38 Cb -0.06 -0.89 0.06 0.00 -0.57 0.00 0.00 34.95 33.49 3juy s ARG 38 CO 0.00 0.15 0.07 -1.14 -1.08 0.00 0.00 175.30 173.30 3juy s GLN 39 N -3.19 0.29 0.62 3.89 0.74 0.15 -0.36 119.66 121.80 3juy s GLN 39 Ca 0.14 -0.24 -0.17 0.00 0.05 0.00 0.00 55.36 55.15 3juy s GLN 39 Cb -0.02 -1.92 -0.02 0.00 1.10 0.00 0.00 33.01 32.15 3juy s GLN 39 CO 0.03 -0.67 1.12 0.00 -0.55 0.00 0.00 175.29 175.22 3juy s ALA 40 N 2.03 2.54 -0.09 1.58 0.00 -1.26 -1.14 121.76 125.41 3juy s ALA 40 Ca 0.01 0.68 -0.35 0.00 0.00 0.00 0.00 51.96 52.29 3juy s ALA 40 Cb -0.16 -3.34 -0.13 0.00 0.00 0.00 0.00 23.12 19.48 3juy s ALA 40 CO -0.10 -1.11 1.80 -2.30 0.00 0.00 0.00 175.76 174.06 3juy n PRO 41 N -1.99 1.95 -3.22 0.00 -0.02 -1.26 -1.95 135.00 128.50 3juy n PRO 41 Ca 0.11 0.71 -0.16 0.00 -2.02 0.00 0.00 63.50 62.15 3juy n PRO 41 Cb 0.51 -2.51 0.06 0.00 -0.02 0.00 0.00 33.50 31.54 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 4.19 -0.11 3.16 -1.23 0.00 -1.26 -5.05 105.19 104.90 3juy n GLY 42 Ca 0.23 -0.03 -0.09 0.00 0.00 0.00 0.00 46.02 46.13 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 -5.74 0.85 0.62 1.61 -1.52 -0.82 -5.15 119.66 109.51 3juy s GLN 43 Ca 0.33 -1.30 -0.16 0.00 -1.95 0.00 0.00 55.36 52.27 3juy s GLN 43 Cb -0.15 0.25 -0.02 0.00 -0.22 0.00 0.00 33.01 32.88 3juy s GLN 43 CO 0.51 -0.23 1.11 1.03 -0.25 0.00 0.00 175.29 177.46 3juy s ARG 44 N -3.99 3.00 0.55 2.91 0.52 -1.26 -4.71 118.95 115.98 3juy s ARG 44 Ca 0.17 1.45 -0.21 0.00 -0.52 0.00 0.00 55.73 56.61 3juy s ARG 44 Cb 0.07 -1.97 -0.05 0.00 0.52 0.00 0.00 34.95 33.52 3juy s ARG 44 CO -0.03 -1.10 1.25 1.19 0.02 0.00 0.00 175.30 176.63 3juy n PHE 45 N -2.04 1.92 -3.66 -0.53 3.01 -1.26 -4.58 117.46 110.32 3juy n PHE 45 Ca 0.11 0.44 -0.21 0.00 1.01 0.00 0.00 57.45 58.80 3juy n PHE 45 Cb 0.52 -2.31 -0.18 0.00 -0.01 0.00 0.00 39.48 37.50 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 -2.80 -0.02 0.09 -1.08 2.12 0.51 -4.50 118.70 113.02 3juy s GLU 46 Ca 0.72 0.27 -0.30 0.00 0.36 0.00 0.00 54.97 56.02 3juy s GLU 46 Cb -0.43 -0.80 -0.06 0.00 0.26 0.00 0.00 34.13 33.10 3juy s GLU 46 CO 0.49 -0.40 1.16 -0.46 -0.54 0.00 0.00 175.26 175.51 3juy s TRP 47 N 2.15 3.49 -0.17 5.30 -0.00 -1.26 -0.30 118.94 128.15 3juy s TRP 47 Ca 0.04 1.41 0.15 0.00 -0.00 0.00 0.00 56.10 57.71 3juy s TRP 47 Cb -0.13 -3.36 -0.21 0.00 -0.00 0.00 0.00 33.47 29.76 3juy s TRP 47 CO -0.04 -1.02 0.06 -1.33 -0.00 0.00 0.00 176.95 174.62 3juy n MET 48 N 3.44 1.18 0.00 5.86 2.81 0.25 -4.72 117.12 125.94 3juy n MET 48 Ca 0.07 -0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.95 3juy n MET 48 Cb 0.47 -1.44 0.00 0.00 -0.71 0.00 0.00 33.22 31.53 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 1.93 1.38 3.20 3.03 0.00 -1.20 -1.29 105.19 112.24 3juy n GLY 49 Ca -0.28 -1.49 -0.13 0.00 0.00 0.00 0.00 46.02 44.12 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 -1.79 1.07 -0.02 1.61 1.48 -0.28 -0.72 118.94 120.29 3juy s TRP 50 Ca 0.00 -0.79 0.03 0.00 -1.06 0.00 0.00 56.10 54.29 3juy s TRP 50 Cb 0.00 -0.58 -0.00 0.00 -1.16 0.00 0.00 33.47 31.73 3juy s TRP 50 CO 0.00 -0.03 -0.11 -1.50 -4.06 0.00 0.00 176.95 171.25 3juy s ILE 51 N -3.18 0.93 -0.38 0.66 2.07 -0.05 -1.97 121.20 119.27 3juy s ILE 51 Ca 0.12 -0.47 -0.14 0.00 -1.41 0.00 0.00 60.65 58.74 3juy s ILE 51 Cb 0.02 -0.79 0.00 0.00 0.13 0.00 0.00 42.46 41.82 3juy s ILE 51 CO -0.02 0.27 0.28 0.21 -1.91 0.00 0.00 174.94 173.78 3juy s ASN 52 N -0.09 6.10 0.53 4.50 3.84 0.16 -0.68 114.94 129.30 3juy s ASN 52 Ca 0.01 -0.64 0.31 0.00 0.21 0.00 0.00 52.86 52.75 3juy s ASN 52 Cb -0.06 -2.16 1.32 0.00 -0.55 0.00 0.00 41.25 39.80 3juy s ASN 52 CO 0.00 -0.36 1.97 -0.65 -2.79 0.00 0.00 177.10 175.28 3juy h PRO 53 N 8.56 0.00 -0.15 0.43 0.11 -1.78 -1.56 132.00 137.61 3juy h PRO 53 Ca -0.29 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.60 3juy h PRO 53 Cb 1.14 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.26 3juy h PRO 53 CO 0.69 0.07 -0.78 -0.92 -0.21 0.00 0.00 178.00 176.84 3juy h TYR 54 N 0.00 1.08 0.00 0.65 3.20 -1.89 -3.37 116.97 116.64 3juy h TYR 54 Ca -0.00 -0.48 0.00 0.00 3.14 0.00 0.00 58.73 61.39 3juy h TYR 54 Cb 0.53 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.63 3juy h TYR 54 CO 0.00 1.31 0.00 0.27 -1.64 0.00 0.00 178.16 178.10 3juy n ASN 55 N -3.93 1.10 0.00 -2.11 0.23 -1.19 -5.00 115.26 104.35 3juy n ASN 55 Ca -0.07 -1.48 0.00 0.00 -0.53 0.00 0.00 54.58 52.49 3juy n ASN 55 Cb 0.75 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.45 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 -0.24 1.11 3.76 4.83 0.00 -0.59 -5.00 105.19 109.05 3juy n GLY 56 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 3juy n GLY 56 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3juy s ASN 57 N -3.05 5.74 0.02 1.61 0.01 -1.21 -4.79 114.94 113.28 3juy s ASN 57 Ca 0.00 2.60 -0.02 0.00 -0.71 0.00 0.00 52.86 54.72 3juy s ASN 57 Cb 0.00 -2.63 -0.02 0.00 0.41 0.00 0.00 41.25 39.02 3juy s ASN 57 CO 0.00 -1.23 0.02 -0.54 -1.51 0.00 0.00 177.10 173.84 3juy s LYS 58 N -2.73 0.41 -0.02 -0.60 1.02 -1.26 -0.66 119.74 115.90 3juy s LYS 58 Ca 0.66 -0.64 0.00 0.00 0.02 0.00 0.00 55.97 56.01 3juy s LYS 58 Cb -0.36 0.16 0.03 0.00 -0.52 0.00 0.00 37.83 37.13 3juy s LYS 58 CO 0.44 -0.08 0.02 -2.00 -0.92 0.00 0.00 175.35 172.81 3juy s GLU 59 N -1.83 0.08 0.07 1.68 2.56 -0.83 -4.99 118.70 115.44 3juy s GLU 59 Ca -0.12 0.16 0.08 0.00 0.00 0.00 0.00 54.97 55.08 3juy s GLU 59 Cb -0.07 -0.34 -0.03 0.00 2.00 0.00 0.00 34.13 35.68 3juy s GLU 59 CO -0.02 -0.16 -0.19 -0.06 -0.56 0.00 0.00 175.26 174.27 3juy s PHE 60 N 1.10 2.53 0.45 5.30 0.40 -1.26 -1.13 117.98 125.38 3juy s PHE 60 Ca -0.09 -0.27 -0.22 0.00 -0.60 0.00 0.00 56.93 55.75 3juy s PHE 60 Cb -0.13 -1.41 -0.08 0.00 0.51 0.00 0.00 43.02 41.90 3juy s PHE 60 CO -0.03 0.30 1.08 0.45 0.70 0.00 0.00 175.22 177.73 3juy s SER 61 N -1.70 6.41 0.36 1.36 0.15 -0.42 -4.89 113.70 114.98 3juy s SER 61 Ca 0.16 2.10 0.05 0.00 0.70 0.00 0.00 55.95 58.95 3juy s SER 61 Cb -0.10 -2.58 0.70 0.00 -1.71 0.00 0.00 66.02 62.33 3juy s SER 61 CO 0.07 -0.74 1.98 0.00 1.20 0.00 0.00 173.24 175.75 3juy h ALA 62 N 2.05 1.65 0.00 5.45 0.00 -1.94 -0.85 119.26 125.61 3juy h ALA 62 Ca -0.49 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.39 3juy h ALA 62 Cb 1.23 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.80 3juy h ALA 62 CO 0.60 0.26 0.00 -0.22 0.00 0.00 0.00 179.25 179.90 3juy h LYS 63 N 0.79 0.00 0.00 0.00 3.64 -1.95 -3.30 116.57 115.75 3juy h LYS 63 Ca 0.29 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.67 3juy h LYS 63 Cb 0.14 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 3juy h LYS 63 CO -0.09 0.00 -0.43 1.19 -2.27 0.00 0.00 179.45 177.86 3juy n PHE 64 N -2.67 0.00 -0.34 1.91 3.01 -0.88 -4.77 117.46 113.72 3juy n PHE 64 Ca 0.00 0.00 0.21 0.00 1.01 0.00 0.00 57.45 58.67 3juy n PHE 64 Cb 0.19 0.00 0.45 0.00 -0.01 0.00 0.00 39.48 40.11 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 0.44 -0.41 -1.08 -0.00 -1.26 0.02 115.11 112.82 3juy h GLN 65 Ca 0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 58.65 58.62 3juy h GLN 65 Cb 0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 27.48 27.36 3juy h GLN 65 CO 0.00 0.29 0.26 0.22 0.00 0.00 0.00 178.83 179.59 3juy h ASP 66 N 0.45 0.48 -0.01 -0.69 -0.00 -1.86 -3.35 116.42 111.43 3juy h ASP 66 Ca 0.67 -0.04 0.00 0.00 -0.00 0.00 0.00 57.03 57.67 3juy h ASP 66 Cb 1.48 -0.12 0.00 0.00 -0.00 0.00 0.00 39.33 40.69 3juy h ASP 66 CO -0.48 0.37 -0.01 0.54 -0.00 0.00 0.00 179.24 179.66 3juy n ARG 67 N -4.78 0.53 -4.81 0.28 1.74 -0.12 -5.01 116.66 104.49 3juy n ARG 67 Ca 0.01 -1.07 -0.30 0.00 -0.77 0.00 0.00 57.85 55.72 3juy n ARG 67 Cb 0.04 -1.19 -0.14 0.00 -1.02 0.00 0.00 32.46 30.15 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 -0.88 2.11 -0.04 1.55 0.11 -0.56 -0.86 120.40 121.83 3juy s VAL 68 Ca 0.12 -1.43 0.02 0.00 -2.93 0.00 0.00 61.98 57.75 3juy s VAL 68 Cb 0.08 -1.82 0.01 0.00 -1.53 0.00 0.00 36.38 33.13 3juy s VAL 68 CO 0.13 0.31 -0.08 0.28 -3.33 0.00 0.00 175.10 172.41 3juy s THR 69 N -0.84 0.77 -0.07 5.04 -1.32 -0.03 -4.85 115.64 114.34 3juy s THR 69 Ca 0.12 -0.30 -0.00 0.00 -1.21 0.00 0.00 61.69 60.30 3juy s THR 69 Cb -0.10 -0.73 -0.03 0.00 -1.51 0.00 0.00 72.50 70.13 3juy s THR 69 CO 0.03 0.26 -0.04 -0.36 -2.21 0.00 0.00 174.62 172.30 3juy s PHE 70 N 0.60 3.03 0.05 9.09 2.99 -1.26 -1.64 117.98 130.84 3juy s PHE 70 Ca -0.10 0.10 -0.04 0.00 0.00 0.00 0.00 56.93 56.89 3juy s PHE 70 Cb -0.13 -1.74 -0.02 0.00 0.00 0.00 0.00 43.02 41.13 3juy s PHE 70 CO 0.01 0.39 0.05 0.95 -0.00 0.00 0.00 175.22 176.63 3juy s THR 71 N -0.85 0.16 0.00 0.64 -4.23 -1.01 -5.00 115.64 105.36 3juy s THR 71 Ca 0.13 -1.34 0.02 0.00 -1.18 0.00 0.00 61.69 59.31 3juy s THR 71 Cb -0.11 -1.13 -0.01 0.00 1.34 0.00 0.00 72.50 72.60 3juy s THR 71 CO 0.02 -0.74 -0.05 0.00 -0.54 0.00 0.00 174.62 173.31 3juy s ALA 72 N -3.16 0.41 -0.47 3.99 0.00 -1.26 -0.12 121.76 121.15 3juy s ALA 72 Ca -0.00 -0.27 0.03 0.00 0.00 0.00 0.00 51.96 51.72 3juy s ALA 72 Cb 0.02 -0.08 0.13 0.00 0.00 0.00 0.00 23.12 23.19 3juy s ALA 72 CO -0.07 0.08 0.23 0.34 0.00 0.00 0.00 175.76 176.34 3juy s ASP 73 N -0.29 4.09 0.62 0.00 -1.08 0.15 -4.96 116.67 115.20 3juy s ASP 73 Ca 0.00 -2.75 0.37 0.00 -0.52 0.00 0.00 52.55 49.65 3juy s ASP 73 Cb -0.03 -1.39 2.07 0.00 -1.46 0.00 0.00 42.92 42.11 3juy s ASP 73 CO -0.00 -0.26 2.29 0.71 0.52 0.00 0.00 175.17 178.42 3juy h THR 74 N 5.53 0.26 0.00 1.71 1.35 -1.93 0.35 112.91 120.18 3juy h THR 74 Ca -0.05 -0.07 -0.10 0.00 -0.55 0.00 0.00 66.41 65.64 3juy h THR 74 Cb 0.92 1.05 -0.01 0.00 -1.73 0.00 0.00 68.15 68.38 3juy h THR 74 CO 0.59 0.01 -0.47 -1.28 -0.25 0.00 0.00 175.52 174.12 3juy h SER 75 N 0.00 0.00 -0.01 5.36 0.87 -1.95 -3.15 113.55 114.67 3juy h SER 75 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 3juy h SER 75 Cb 0.05 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.01 3juy h SER 75 CO 0.00 0.47 -0.19 0.00 -0.53 0.00 0.00 176.83 176.58 3juy n ALA 76 N -2.41 2.87 -3.46 6.23 0.00 -0.07 -5.00 120.51 118.67 3juy n ALA 76 Ca -0.01 -0.57 -0.18 0.00 0.00 0.00 0.00 53.44 52.68 3juy n ALA 76 Cb 0.51 -0.54 0.08 0.00 0.00 0.00 0.00 19.45 19.50 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 0.29 -2.56 -3.72 0.00 4.13 -0.15 -4.78 115.26 108.48 3juy n ASN 77 Ca 0.08 -0.68 -0.13 0.00 1.68 0.00 0.00 54.58 55.53 3juy n ASN 77 Cb 0.36 -4.92 -0.13 0.00 -1.54 0.00 0.00 39.78 33.55 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 -3.42 -0.11 0.08 3.41 2.01 -1.12 -0.21 115.64 116.28 3juy s THR 78 Ca 0.07 0.18 0.01 0.00 0.31 0.00 0.00 61.69 62.26 3juy s THR 78 Cb -0.01 -0.38 -0.04 0.00 0.01 0.00 0.00 72.50 72.08 3juy s THR 78 CO 0.75 0.07 0.22 0.00 -0.69 0.00 0.00 174.62 174.97 3juy s ALA 79 N 1.47 3.98 0.18 7.40 0.00 -0.67 -0.68 121.76 133.45 3juy s ALA 79 Ca -0.07 -0.88 0.08 0.00 0.00 0.00 0.00 51.96 51.08 3juy s ALA 79 Cb -0.11 -1.80 -0.04 0.00 0.00 0.00 0.00 23.12 21.16 3juy s ALA 79 CO -0.08 0.77 -0.16 0.71 0.00 0.00 0.00 175.76 177.00 3juy s TYR 80 N -1.55 1.73 -0.03 0.00 1.51 0.83 -0.83 117.35 119.01 3juy s TYR 80 Ca 0.35 -0.52 -0.01 0.00 -1.01 0.00 0.00 57.07 55.88 3juy s TYR 80 Cb -0.13 -0.84 0.03 0.00 -0.11 0.00 0.00 41.96 40.91 3juy s TYR 80 CO 0.28 0.32 0.05 1.41 -1.11 0.00 0.00 175.55 176.50 3juy s MET 81 N -3.11 -0.05 -0.13 -0.62 1.75 0.67 -2.40 119.30 115.42 3juy s MET 81 Ca 0.18 0.29 0.02 0.00 -1.25 0.00 0.00 55.69 54.93 3juy s MET 81 Cb -0.04 -0.37 0.01 0.00 2.84 0.00 0.00 34.83 37.28 3juy s MET 81 CO 0.06 -0.25 -0.18 -2.00 -0.65 0.00 0.00 175.02 172.00 3juy s GLU 82 N 1.62 2.61 -0.14 4.11 2.12 -0.65 -0.42 118.70 127.95 3juy s GLU 82 Ca -0.02 -0.70 -0.00 0.00 0.36 0.00 0.00 54.97 54.60 3juy s GLU 82 Cb -0.12 -2.18 -0.01 0.00 0.26 0.00 0.00 34.13 32.08 3juy s GLU 82 CO -0.03 -0.06 -0.13 -1.17 -0.54 0.00 0.00 175.26 173.33 3juy s LEU 83 N 0.96 2.66 0.32 2.70 2.96 -0.62 -0.85 118.68 126.82 3juy s LEU 83 Ca -0.05 -0.37 0.07 0.00 -0.22 0.00 0.00 54.13 53.56 3juy s LEU 83 Cb -0.15 -1.60 -0.02 0.00 0.50 0.00 0.00 46.19 44.91 3juy s LEU 83 CO -0.03 0.14 0.33 0.00 -1.32 0.00 0.00 176.35 175.46 3juy s ARG 84 N 0.52 2.86 -1.27 1.98 1.70 -0.04 -1.56 118.95 123.15 3juy s ARG 84 Ca -0.09 -1.19 -0.01 0.00 -0.47 0.00 0.00 55.73 53.97 3juy s ARG 84 Cb -0.16 -2.58 -0.00 0.00 -0.57 0.00 0.00 34.95 31.64 3juy s ARG 84 CO 0.04 0.13 0.77 0.43 -1.08 0.00 0.00 175.30 175.59 3juy n SER 85 N -1.42 -1.65 -4.74 -2.89 7.64 -0.66 -4.90 113.62 105.00 3juy n SER 85 Ca -0.02 -0.78 -0.37 0.00 1.01 0.00 0.00 58.87 58.70 3juy n SER 85 Cb 0.59 -4.29 0.06 0.00 -1.01 0.00 0.00 64.21 59.56 3juy n SER 85 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3juy s LEU 86 N -6.56 3.64 0.09 -3.43 1.43 -0.35 -4.68 118.68 108.83 3juy s LEU 86 Ca 0.03 2.60 -0.05 0.00 -1.03 0.00 0.00 54.13 55.67 3juy s LEU 86 Cb -0.01 -4.56 -0.02 0.00 0.03 0.00 0.00 46.19 41.64 3juy s LEU 86 CO 0.79 -1.84 0.12 0.00 0.23 0.00 0.00 176.35 175.66 3juy s ARG 87 N -3.28 0.82 0.51 1.70 1.70 -1.26 -0.87 118.95 118.26 3juy s ARG 87 Ca 0.80 -1.12 0.37 0.00 -0.47 0.00 0.00 55.73 55.31 3juy s ARG 87 Cb -0.36 0.29 1.52 0.00 -0.57 0.00 0.00 34.95 35.83 3juy s ARG 87 CO 0.39 -0.24 1.70 0.77 -1.08 0.00 0.00 175.30 176.85 3juy h SER 88 N 2.86 0.10 0.68 -2.89 0.02 -1.96 0.43 113.55 112.80 3juy h SER 88 Ca -0.34 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.65 3juy h SER 88 Cb 1.18 0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.75 3juy h SER 88 CO 0.59 -0.03 0.00 0.00 -1.14 0.00 0.00 176.83 176.25 3juy n ALA 89 N -2.73 1.65 1.15 3.77 0.00 -1.26 -3.01 120.51 120.09 3juy n ALA 89 Ca 0.33 0.07 0.09 0.00 0.00 0.00 0.00 53.44 53.93 3juy n ALA 89 Cb 1.45 -1.36 0.32 0.00 0.00 0.00 0.00 19.45 19.86 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 -2.13 1.70 -4.60 0.00 8.00 0.15 -4.79 116.55 114.89 3juy n ASP 90 Ca 0.02 -1.77 -0.43 0.00 0.71 0.00 0.00 54.79 53.32 3juy n ASP 90 Cb 0.22 -0.14 -0.02 0.00 -0.02 0.00 0.00 41.12 41.16 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 -1.73 3.69 0.35 -3.53 2.01 -1.16 -4.80 115.64 110.48 3juy s THR 91 Ca 0.30 0.70 -0.17 0.00 0.31 0.00 0.00 61.69 62.83 3juy s THR 91 Cb 0.16 -3.95 0.06 0.00 0.01 0.00 0.00 72.50 68.77 3juy s THR 91 CO 0.24 -0.62 0.82 0.00 -0.69 0.00 0.00 174.62 174.37 3juy s ALA 92 N 6.17 -0.89 -0.20 7.40 0.00 -0.87 -4.24 121.76 129.14 3juy s ALA 92 Ca 0.70 -0.66 -0.17 0.00 0.00 0.00 0.00 51.96 51.82 3juy s ALA 92 Cb -0.17 0.69 -0.04 0.00 0.00 0.00 0.00 23.12 23.60 3juy s ALA 92 CO 0.33 -1.00 0.45 0.08 0.00 0.00 0.00 175.76 175.62 3juy s VAL 93 N -2.40 5.16 -0.24 0.00 1.01 -0.30 -1.00 120.40 122.64 3juy s VAL 93 Ca 0.16 0.82 -0.09 0.00 0.00 0.00 0.00 61.98 62.88 3juy s VAL 93 Cb -0.05 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.51 3juy s VAL 93 CO 0.10 0.22 0.11 -0.31 0.00 0.00 0.00 175.10 175.23 3juy s TYR 94 N 1.40 3.20 -0.08 5.22 1.51 0.89 -0.67 117.35 128.82 3juy s TYR 94 Ca 0.22 -0.06 0.03 0.00 -1.01 0.00 0.00 57.07 56.25 3juy s TYR 94 Cb -0.15 -2.24 -0.02 0.00 -0.11 0.00 0.00 41.96 39.44 3juy s TYR 94 CO 0.09 -0.11 -0.15 0.71 -1.11 0.00 0.00 175.55 174.97 3juy s TYR 95 N 1.26 2.70 0.02 2.71 2.02 0.32 -1.72 117.35 124.66 3juy s TYR 95 Ca 0.06 -0.38 -0.01 0.00 -0.37 0.00 0.00 57.07 56.37 3juy s TYR 95 Cb -0.14 -1.69 -0.04 0.00 -0.40 0.00 0.00 41.96 39.68 3juy s TYR 95 CO 0.05 0.01 0.17 0.00 -1.57 0.00 0.00 175.55 174.21 3juy s ALA 97 N -1.36 -0.56 0.04 0.00 0.00 0.05 -1.63 121.76 118.31 3juy s ALA 97 Ca 0.29 0.53 -0.06 0.00 0.00 0.00 0.00 51.96 52.72 3juy s ALA 97 Cb -0.13 -0.28 -0.05 0.00 0.00 0.00 0.00 23.12 22.66 3juy s ALA 97 CO 0.21 -0.13 0.30 0.50 0.00 0.00 0.00 175.76 176.63 3juy s ARG 98 N -0.19 3.60 0.86 0.00 3.52 -0.06 0.65 118.95 127.33 3juy s ARG 98 Ca -0.03 -0.08 -0.12 0.00 -0.13 0.00 0.00 55.73 55.37 3juy s ARG 98 Cb -0.03 -3.03 0.11 0.00 -1.56 0.00 0.00 34.95 30.45 3juy s ARG 98 CO 0.01 0.60 1.16 0.14 -0.81 0.00 0.00 175.30 176.41 3juy s VAL 99 N -1.39 2.00 0.76 7.11 -7.23 -0.81 -0.45 120.40 120.39 3juy s VAL 99 Ca 0.31 0.00 -0.09 0.00 -1.81 0.00 0.00 61.98 60.39 3juy s VAL 99 Cb -0.13 -2.89 0.08 0.00 0.56 0.00 0.00 36.38 34.00 3juy s VAL 99 CO 0.19 0.00 1.10 -0.83 -0.31 0.00 0.00 175.10 175.25 3juy s GLY 100 N -4.34 1.65 0.49 2.32 0.00 -0.07 -4.62 107.32 102.75 3juy s GLY 100 Ca 0.63 -0.85 -0.22 0.00 0.00 0.00 0.00 44.72 44.28 3juy s GLY 100 CO 0.51 -0.38 1.20 -0.54 0.00 0.00 0.00 173.10 173.89 3juy s GLU 101 N -5.42 3.58 -0.33 2.90 2.02 -1.26 -4.92 118.70 115.27 3juy s GLU 101 Ca 0.62 1.86 -0.29 0.00 0.02 0.00 0.00 54.97 57.18 3juy s GLU 101 Cb -0.10 -2.33 0.01 0.00 0.10 0.00 0.00 34.13 31.80 3juy s GLU 101 CO 0.47 -0.72 1.27 -0.46 0.02 0.00 0.00 175.26 175.84 3juy s TRP 102 N -1.51 2.72 0.54 1.61 -0.00 -1.26 -4.89 118.94 116.15 3juy s TRP 102 Ca 0.66 0.87 -0.19 0.00 -0.00 0.00 0.00 56.10 57.45 3juy s TRP 102 Cb -0.31 -3.97 -0.06 0.00 -0.00 0.00 0.00 33.47 29.14 3juy s TRP 102 CO 0.37 -1.60 1.08 0.20 -0.00 0.00 0.00 176.95 177.00 3juy s GLY 103 N 2.76 2.46 0.36 5.86 0.00 -1.26 -4.89 107.32 112.61 3juy s GLY 103 Ca 0.55 0.65 0.29 0.00 0.00 0.00 0.00 44.72 46.21 3juy s GLY 103 CO 0.24 0.99 1.19 0.79 0.00 0.00 0.00 173.10 176.31 3juy n TRP 104 N -1.41 0.36 -2.80 1.90 7.02 -1.26 -3.00 117.44 118.24 3juy n TRP 104 Ca 0.10 0.36 -0.04 0.00 -1.02 0.00 0.00 57.50 56.91 3juy n TRP 104 Cb 0.52 -0.76 0.01 0.00 -2.42 0.00 0.00 31.31 28.66 3juy n TRP 104 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 3juy s ASP 105 N -4.20 -1.44 0.53 -0.99 1.01 -1.26 -5.16 116.67 105.16 3juy s ASP 105 Ca -0.05 -1.66 0.06 0.00 0.71 0.00 0.00 52.55 51.61 3juy s ASP 105 Cb 0.23 1.89 0.04 0.00 1.01 0.00 0.00 42.92 46.09 3juy s ASP 105 CO 0.64 -0.06 0.46 -1.81 0.21 0.00 0.00 175.17 174.61 3juy s ASP 106 N 0.95 4.75 0.45 0.27 1.01 -1.16 -5.14 116.67 117.80 3juy s ASP 106 Ca 0.29 -1.12 0.01 0.00 0.71 0.00 0.00 52.55 52.45 3juy s ASP 106 Cb -0.00 0.26 0.00 0.00 1.01 0.00 0.00 42.92 44.19 3juy s ASP 106 CO -0.05 -1.08 0.66 -0.44 0.21 0.00 0.00 175.17 174.47 3juy s SER 107 N -4.32 5.76 0.23 0.27 0.01 -1.26 -5.03 113.70 109.37 3juy s SER 107 Ca 0.40 0.16 -0.32 0.00 1.31 0.00 0.00 55.95 57.51 3juy s SER 107 Cb -0.03 -1.37 -0.13 0.00 0.21 0.00 0.00 66.02 64.70 3juy s SER 107 CO 0.25 -0.73 1.50 -2.65 0.41 0.00 0.00 173.24 172.01 3juy n PRO 108 N -2.06 2.23 -0.90 12.44 -0.02 -1.26 -2.20 135.00 143.24 3juy n PRO 108 Ca 0.02 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 3juy n PRO 108 Cb 0.58 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 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 2.36 0.00 0.28 6.00 4.01 -1.26 -4.86 117.16 123.69 3juy n TYR 109 Ca 0.12 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.94 3juy n TYR 109 Cb 0.32 -0.35 0.34 0.00 -0.31 0.00 0.00 39.34 39.35 3juy n TYR 109 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3juy n ASP 110 N -0.02 0.30 -0.70 7.72 10.43 -0.93 -1.51 116.55 131.84 3juy n ASP 110 Ca 0.00 0.60 0.06 0.00 2.57 0.00 0.00 54.79 58.02 3juy n ASP 110 Cb 0.01 -0.66 0.17 0.00 1.84 0.00 0.00 41.12 42.49 3juy n ASP 110 CO 0.00 0.00 0.00 -0.46 -1.07 0.00 0.00 177.20 175.67 3juy n ASN 111 N -1.86 3.09 -1.45 -2.24 6.94 -1.26 -4.62 115.26 113.86 3juy n ASN 111 Ca 0.01 -2.12 -0.05 0.00 -0.02 0.00 0.00 54.58 52.40 3juy n ASN 111 Cb 0.11 -0.28 0.14 0.00 -2.36 0.00 0.00 39.78 37.40 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 0.44 1.34 -1.48 -2.53 4.02 -0.57 -0.89 117.16 117.49 3juy n TYR 112 Ca 0.13 -0.83 -0.30 0.00 -0.01 0.00 0.00 57.90 56.89 3juy n TYR 112 Cb 0.49 -0.48 0.23 0.00 -0.02 0.00 0.00 39.34 39.56 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 -1.76 0.77 -0.65 -0.72 1.13 -1.26 -4.75 117.35 110.11 3juy s TYR 113 Ca 0.28 0.33 -0.15 0.00 -1.41 0.00 0.00 57.07 56.13 3juy s TYR 113 Cb 0.23 -3.84 0.16 0.00 -1.10 0.00 0.00 41.96 37.42 3juy s TYR 113 CO 0.07 -3.44 0.59 -1.64 -2.51 0.00 0.00 175.55 168.62 3juy s MET 114 N -5.70 3.19 0.16 -3.49 -1.94 -1.26 -4.08 119.30 106.18 3juy s MET 114 Ca 0.74 -2.02 0.13 0.00 -1.71 0.00 0.00 55.69 52.83 3juy s MET 114 Cb -0.05 -4.32 -0.08 0.00 2.01 0.00 0.00 34.83 32.38 3juy s MET 114 CO 0.55 -1.31 1.19 0.22 -0.01 0.00 0.00 175.02 175.66 3juy h ASP 115 N 8.41 0.00 -3.44 3.03 3.58 -1.02 -3.41 116.42 123.57 3juy h ASP 115 Ca -0.13 0.00 -0.22 0.00 0.42 0.00 0.00 57.03 57.10 3juy h ASP 115 Cb 1.07 0.00 -0.30 0.00 1.72 0.00 0.00 39.33 41.82 3juy h ASP 115 CO 0.92 0.70 -0.54 -0.69 -2.88 0.00 0.00 179.24 176.74 3juy s VAL 116 N -2.85 -0.04 0.24 2.25 1.01 -1.19 -4.58 120.40 115.24 3juy s VAL 116 Ca 0.01 0.15 0.09 0.00 0.00 0.00 0.00 61.98 62.23 3juy s VAL 116 Cb 0.08 -0.30 -0.04 0.00 0.00 0.00 0.00 36.38 36.13 3juy s VAL 116 CO 0.79 0.06 -0.03 0.26 0.00 0.00 0.00 175.10 176.18 3juy s TRP 117 N 1.08 2.69 0.71 5.22 0.52 -1.26 -0.88 118.94 127.01 3juy s TRP 117 Ca -0.08 -0.21 -0.08 0.00 0.02 0.00 0.00 56.10 55.74 3juy s TRP 117 Cb -0.10 -1.23 0.05 0.00 -1.15 0.00 0.00 33.47 31.04 3juy s TRP 117 CO -0.06 0.59 1.04 0.20 0.02 0.00 0.00 176.95 178.73 3juy s GLY 118 N -3.40 1.65 0.54 0.98 0.00 -0.65 -4.61 107.32 101.84 3juy s GLY 118 Ca 0.29 -0.78 0.31 0.00 0.00 0.00 0.00 44.72 44.54 3juy s GLY 118 CO 0.19 -0.38 2.08 1.70 0.00 0.00 0.00 173.10 176.69 3juy h LYS 119 N -0.63 0.00 0.00 2.90 3.64 -1.90 -3.41 116.57 117.17 3juy h LYS 119 Ca -0.45 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 3juy h LYS 119 Cb 1.30 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.12 3juy h LYS 119 CO 0.62 0.09 0.00 0.41 -2.27 0.00 0.00 179.45 178.30 3juy n GLY 120 N -0.55 1.18 2.96 5.01 0.00 -1.26 -4.51 105.19 108.01 3juy n GLY 120 Ca -0.01 -1.69 -0.29 0.00 0.00 0.00 0.00 46.02 44.03 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 -2.58 1.30 -0.11 2.61 2.01 -0.70 -4.90 115.64 113.28 3juy s THR 121 Ca 0.00 -0.52 -0.27 0.00 0.31 0.00 0.00 61.69 61.22 3juy s THR 121 Cb 0.00 -1.29 -0.02 0.00 0.01 0.00 0.00 72.50 71.20 3juy s THR 121 CO 0.00 0.37 0.89 -0.89 -0.69 0.00 0.00 174.62 174.29 3juy s THR 122 N 1.59 4.87 -0.10 -0.82 2.01 -1.26 -0.08 115.64 121.85 3juy s THR 122 Ca 0.04 1.79 0.02 0.00 0.31 0.00 0.00 61.69 63.85 3juy s THR 122 Cb -0.13 -4.20 0.01 0.00 0.01 0.00 0.00 72.50 68.19 3juy s THR 122 CO -0.09 0.07 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.06 3juy s VAL 123 N 1.76 1.49 -0.14 3.82 1.01 -0.17 -1.26 120.40 126.91 3juy s VAL 123 Ca 0.43 -0.64 0.01 0.00 0.00 0.00 0.00 61.98 61.78 3juy s VAL 123 Cb -0.18 -1.35 -0.00 0.00 0.00 0.00 0.00 36.38 34.85 3juy s VAL 123 CO 0.17 0.44 -0.17 -0.63 0.00 0.00 0.00 175.10 174.91 3juy s ILE 124 N 0.91 2.54 -0.16 2.22 1.01 0.25 -2.04 121.20 125.93 3juy s ILE 124 Ca -0.08 -0.82 -0.01 0.00 0.00 0.00 0.00 60.65 59.73 3juy s ILE 124 Cb -0.15 -2.05 -0.01 0.00 0.01 0.00 0.00 42.46 40.25 3juy s ILE 124 CO -0.00 0.53 -0.11 -0.69 0.00 0.00 0.00 174.94 174.67 3juy s VAL 125 N 0.71 3.12 -0.14 2.92 1.01 -1.26 -0.11 120.40 126.65 3juy s VAL 125 Ca -0.08 -0.62 -0.17 0.00 0.00 0.00 0.00 61.98 61.12 3juy s VAL 125 Cb -0.16 -2.34 0.04 0.00 0.00 0.00 0.00 36.38 33.92 3juy s VAL 125 CO 0.01 0.50 0.45 -0.55 0.00 0.00 0.00 175.10 175.51 3juy s SER 126 N 0.73 -0.44 0.00 3.32 0.15 -1.22 -4.59 113.70 111.65 3juy s SER 126 Ca -0.05 0.79 0.00 0.00 0.70 0.00 0.00 55.95 57.39 3juy s SER 126 Cb -0.15 0.82 0.00 0.00 -1.71 0.00 0.00 66.02 64.98 3juy s SER 126 CO 0.02 -0.23 0.00 -1.20 1.20 0.00 0.00 173.24 173.03 3juy n SER 127 N 2.49 -1.49 -2.79 5.45 7.64 -1.26 -4.55 113.62 119.11 3juy n SER 127 Ca -0.15 0.00 -0.25 0.00 1.01 0.00 0.00 58.87 59.48 3juy n SER 127 Cb 0.57 -0.43 -0.02 0.00 -1.01 0.00 0.00 64.21 63.32 3juy n SER 127 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3juy n GLU 143 N -0.58 2.97 -1.91 1.43 4.71 -1.26 -4.80 120.64 121.21 3juy n GLU 143 Ca 0.00 -4.51 -0.41 0.00 -0.01 0.00 0.00 57.16 52.23 3juy n GLU 143 Cb 0.43 -2.13 -0.00 0.00 -1.01 0.00 0.00 31.44 28.72 3juy n GLU 143 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 3juy s ILE 144 N -4.57 2.28 -0.06 -3.67 1.01 -1.26 -4.86 121.20 110.07 3juy s ILE 144 Ca 0.46 0.27 -0.03 0.00 0.00 0.00 0.00 60.65 61.36 3juy s ILE 144 Cb 0.34 -3.17 0.04 0.00 0.01 0.00 0.00 42.46 39.68 3juy s ILE 144 CO -0.14 0.06 0.13 -0.69 0.00 0.00 0.00 174.94 174.30 3juy s VAL 145 N -1.15 -0.09 -0.25 2.92 1.01 -1.26 -4.95 120.40 116.62 3juy s VAL 145 Ca 0.53 0.22 -0.09 0.00 0.00 0.00 0.00 61.98 62.65 3juy s VAL 145 Cb -0.44 -0.23 -0.04 0.00 0.00 0.00 0.00 36.38 35.68 3juy s VAL 145 CO 0.58 0.09 0.12 -0.76 0.00 0.00 0.00 175.10 175.13 3juy s LEU 146 N 1.39 3.74 -0.23 3.92 1.43 -1.26 -2.07 118.68 125.61 3juy s LEU 146 Ca -0.07 -0.08 -0.01 0.00 -1.03 0.00 0.00 54.13 52.95 3juy s LEU 146 Cb -0.12 -2.01 0.02 0.00 0.03 0.00 0.00 46.19 44.11 3juy s LEU 146 CO -0.05 -0.01 -0.10 -0.89 0.23 0.00 0.00 176.35 175.53 3juy s THR 147 N 1.46 2.65 0.24 5.49 2.01 -0.50 -4.04 115.64 122.95 3juy s THR 147 Ca 0.06 -1.01 -0.05 0.00 0.31 0.00 0.00 61.69 61.00 3juy s THR 147 Cb -0.15 -2.30 -0.05 0.00 0.01 0.00 0.00 72.50 70.01 3juy s THR 147 CO 0.06 0.28 0.49 -1.10 -0.69 0.00 0.00 174.62 173.67 3juy s GLN 148 N 1.31 3.65 -0.06 4.92 -0.21 -1.26 -1.59 119.66 126.41 3juy s GLN 148 Ca 0.01 -0.01 -0.10 0.00 0.02 0.00 0.00 55.36 55.28 3juy s GLN 148 Cb -0.16 -2.71 0.02 0.00 1.00 0.00 0.00 33.01 31.16 3juy s GLN 148 CO -0.07 0.31 0.25 0.00 -2.12 0.00 0.00 175.29 173.66 3juy s ALA 149 N -1.92 -0.61 0.92 6.09 0.00 -0.96 -4.57 121.76 120.72 3juy s ALA 149 Ca 0.43 0.50 -0.12 0.00 0.00 0.00 0.00 51.96 52.78 3juy s ALA 149 Cb -0.11 -0.24 0.20 0.00 0.00 0.00 0.00 23.12 22.97 3juy s ALA 149 CO 0.27 -0.16 1.22 -2.30 0.00 0.00 0.00 175.76 174.79 3juy n PRO 150 N 2.37 -0.93 0.29 0.00 -0.02 -1.26 -1.15 135.00 134.30 3juy n PRO 150 Ca -0.16 -2.25 -0.17 0.00 -2.02 0.00 0.00 63.50 58.90 3juy n PRO 150 Cb 0.57 -1.15 -0.09 0.00 -0.02 0.00 0.00 33.50 32.82 3juy n PRO 150 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3juy h GLY 151 N -1.39 -1.22 -1.74 -1.23 0.00 -1.87 -3.43 103.07 92.20 3juy h GLY 151 Ca -0.40 0.55 -0.61 0.00 0.00 0.00 0.00 47.33 46.87 3juy h GLY 151 CO 0.32 -0.38 -0.57 -1.59 0.00 0.00 0.00 176.54 174.32 3juy s THR 152 N -5.54 2.10 -0.27 4.70 2.01 -1.26 -2.42 115.64 114.96 3juy s THR 152 Ca -0.16 -1.90 -0.00 0.00 0.31 0.00 0.00 61.69 59.94 3juy s THR 152 Cb 0.03 -3.00 0.16 0.00 0.01 0.00 0.00 72.50 69.70 3juy s THR 152 CO 0.53 -0.00 0.44 -0.22 -0.69 0.00 0.00 174.62 174.69 3juy s LEU 153 N -3.77 -0.90 -0.24 4.42 2.96 -0.11 -4.85 118.68 116.19 3juy s LEU 153 Ca 0.37 0.12 -0.08 0.00 -0.22 0.00 0.00 54.13 54.32 3juy s LEU 153 Cb 0.08 1.37 -0.03 0.00 0.50 0.00 0.00 46.19 48.10 3juy s LEU 153 CO 0.19 -0.31 0.09 -0.55 -1.32 0.00 0.00 176.35 174.45 3juy s SER 154 N 2.62 5.37 0.11 3.68 0.15 -1.26 -1.17 113.70 123.20 3juy s SER 154 Ca 0.13 -0.13 0.01 0.00 0.70 0.00 0.00 55.95 56.67 3juy s SER 154 Cb -0.14 -1.96 -0.04 0.00 -1.71 0.00 0.00 66.02 62.16 3juy s SER 154 CO -0.22 -0.00 -0.04 -0.76 1.20 0.00 0.00 173.24 173.41 3juy s LEU 155 N 1.44 2.39 -0.04 3.45 1.43 -0.93 -4.99 118.68 121.43 3juy s LEU 155 Ca 0.06 -1.05 -0.02 0.00 -1.03 0.00 0.00 54.13 52.09 3juy s LEU 155 Cb -0.15 -0.04 -0.04 0.00 0.03 0.00 0.00 46.19 46.00 3juy s LEU 155 CO 0.05 -0.51 0.10 -0.44 0.23 0.00 0.00 176.35 175.78 3juy s SER 156 N -3.06 5.86 0.28 2.29 0.01 -1.26 -4.38 113.70 113.44 3juy s SER 156 Ca 0.15 0.24 -0.27 0.00 1.31 0.00 0.00 55.95 57.37 3juy s SER 156 Cb 0.06 -1.75 -0.15 0.00 0.21 0.00 0.00 66.02 64.39 3juy s SER 156 CO -0.03 0.32 0.83 -2.65 0.41 0.00 0.00 173.24 172.12 3juy n PRO 157 N 1.47 0.92 0.00 12.44 -0.02 -1.26 -1.42 135.00 147.12 3juy n PRO 157 Ca -0.15 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.65 3juy n PRO 157 Cb 0.53 -1.59 0.00 0.00 -0.02 0.00 0.00 33.50 32.42 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 1.48 2.92 3.81 -1.23 0.00 -0.87 -4.97 105.19 106.33 3juy n GLY 158 Ca 0.12 -0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 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 0.99 -0.19 1.61 2.02 -0.51 -4.50 118.70 118.12 3juy s GLU 159 Ca 0.00 0.13 -0.00 0.00 0.02 0.00 0.00 54.97 55.12 3juy s GLU 159 Cb 0.00 -1.84 0.01 0.00 0.10 0.00 0.00 34.13 32.41 3juy s GLU 159 CO 0.00 -2.27 -0.16 0.50 0.02 0.00 0.00 175.26 173.35 3juy s ARG 160 N -5.43 3.09 0.12 1.61 3.52 -1.23 -1.39 118.95 119.24 3juy s ARG 160 Ca 0.66 -0.78 0.02 0.00 -0.13 0.00 0.00 55.73 55.50 3juy s ARG 160 Cb -0.12 -2.69 -0.04 0.00 -1.56 0.00 0.00 34.95 30.54 3juy s ARG 160 CO 0.53 -0.21 0.24 0.00 -0.81 0.00 0.00 175.30 175.05 3juy s ALA 161 N 1.34 3.93 -0.06 6.12 0.00 -0.89 -5.01 121.76 127.18 3juy s ALA 161 Ca 0.05 -0.99 -0.04 0.00 0.00 0.00 0.00 51.96 50.98 3juy s ALA 161 Cb -0.13 -1.74 0.02 0.00 0.00 0.00 0.00 23.12 21.27 3juy s ALA 161 CO -0.10 0.63 0.15 0.99 0.00 0.00 0.00 175.76 177.43 3juy s THR 162 N -1.65 -0.02 -0.07 0.00 2.01 -1.26 -2.43 115.64 112.22 3juy s THR 162 Ca 0.34 0.07 0.05 0.00 0.31 0.00 0.00 61.69 62.45 3juy s THR 162 Cb -0.12 -0.23 -0.01 0.00 0.01 0.00 0.00 72.50 72.15 3juy s THR 162 CO 0.28 0.03 -0.22 -0.36 -0.69 0.00 0.00 174.62 173.66 3juy s PHE 163 N 0.49 2.54 0.02 4.92 0.08 0.10 -4.76 117.98 121.36 3juy s PHE 163 Ca -0.03 -0.64 -0.04 0.00 0.12 0.00 0.00 56.93 56.34 3juy s PHE 163 Cb -0.05 -1.64 -0.04 0.00 -0.57 0.00 0.00 43.02 40.71 3juy s PHE 163 CO -0.02 -0.16 0.23 -1.12 -0.10 0.00 0.00 175.22 174.05 3juy s SER 164 N -0.16 6.42 -0.05 1.36 0.01 -0.30 -2.25 113.70 118.74 3juy s SER 164 Ca -0.03 0.43 -0.01 0.00 1.31 0.00 0.00 55.95 57.65 3juy s SER 164 Cb -0.14 -2.04 0.03 0.00 0.21 0.00 0.00 66.02 64.09 3juy s SER 164 CO 0.04 0.23 0.02 0.00 0.41 0.00 0.00 173.24 173.94 3juy s ARG 166 N 1.75 3.59 0.06 0.00 3.52 -0.62 -0.50 118.95 126.75 3juy s ARG 166 Ca 0.01 -0.56 -0.04 0.00 -0.13 0.00 0.00 55.73 55.01 3juy s ARG 166 Cb -0.13 -2.84 -0.05 0.00 -1.56 0.00 0.00 34.95 30.38 3juy s ARG 166 CO -0.03 0.25 0.27 0.45 -0.81 0.00 0.00 175.30 175.42 3juy s SER 167 N 0.33 6.44 0.13 -2.12 0.15 -0.49 -1.41 113.70 116.73 3juy s SER 167 Ca -0.05 0.46 -0.05 0.00 0.70 0.00 0.00 55.95 57.00 3juy s SER 167 Cb -0.15 -2.04 -0.08 0.00 -1.71 0.00 0.00 66.02 62.05 3juy s SER 167 CO 0.04 0.18 1.33 0.77 1.20 0.00 0.00 173.24 176.75 3juy h SER 168 N 3.38 0.60 -5.03 5.45 4.64 -1.75 -3.46 113.55 117.39 3juy h SER 168 Ca -0.47 -0.45 -0.21 0.00 -0.47 0.00 0.00 61.79 60.19 3juy h SER 168 Cb 1.18 -0.18 0.02 0.00 -0.31 0.00 0.00 62.40 63.10 3juy h SER 168 CO 0.71 1.23 -0.02 1.41 -0.87 0.00 0.00 176.83 179.30 3juy n HIS 169 N -3.80 -2.75 -4.96 4.77 8.25 -1.26 -4.99 115.22 110.48 3juy n HIS 169 Ca -0.07 -0.91 -0.33 0.00 -0.26 0.00 0.00 57.72 56.16 3juy n HIS 169 Cb 0.80 -0.25 -0.15 0.00 1.12 0.00 0.00 29.99 31.50 3juy n HIS 169 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 3juy s SER 170 N -2.60 3.65 -1.19 0.41 0.01 -1.26 -4.67 113.70 108.05 3juy s SER 170 Ca 0.27 -0.41 -0.09 0.00 1.31 0.00 0.00 55.95 57.03 3juy s SER 170 Cb -0.02 -1.46 0.22 0.00 0.21 0.00 0.00 66.02 64.97 3juy s SER 170 CO 0.17 0.18 1.54 -0.38 0.41 0.00 0.00 173.24 175.16 3juy n ILE 171 N 3.43 4.60 -0.23 1.44 2.08 0.71 -4.79 119.36 126.60 3juy n ILE 171 Ca -0.18 -5.02 0.08 0.00 0.56 0.00 0.00 62.75 58.19 3juy n ILE 171 Cb 0.53 -2.36 0.35 0.00 -0.75 0.00 0.00 39.64 37.41 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 6.18 0.74 0.00 0.38 -0.00 -1.97 -1.20 114.38 118.51 3juy h ARG 172 Ca 0.29 -0.04 0.00 0.00 -0.00 0.00 0.00 59.98 60.23 3juy h ARG 172 Cb 0.73 -0.17 0.00 0.00 -0.00 0.00 0.00 29.97 30.53 3juy h ARG 172 CO 1.36 0.49 0.00 -1.13 -0.00 0.00 0.00 179.97 180.69 3juy n SER 173 N -4.51 0.13 -2.04 0.08 3.41 -1.26 -4.85 113.62 104.58 3juy n SER 173 Ca 0.13 0.53 -0.18 0.00 -0.26 0.00 0.00 58.87 59.09 3juy n SER 173 Cb 0.31 -0.55 -0.04 0.00 -0.26 0.00 0.00 64.21 63.67 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 -1.63 -1.69 -2.33 4.33 1.74 -0.45 -4.87 116.66 111.76 3juy n ARG 174 Ca 0.04 0.93 -0.42 0.00 -0.77 0.00 0.00 57.85 57.62 3juy n ARG 174 Cb 0.23 -5.44 0.00 0.00 -1.02 0.00 0.00 32.46 26.24 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 -2.62 3.62 -4.87 5.56 1.74 -1.26 -3.16 116.66 115.68 3juy n ARG 175 Ca -0.19 -3.52 -0.33 0.00 -0.77 0.00 0.00 57.85 53.04 3juy n ARG 175 Cb 0.62 -2.92 -0.14 0.00 -1.02 0.00 0.00 32.46 29.00 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 0.37 2.93 0.16 1.55 1.01 -1.26 -2.34 120.40 122.83 3juy s VAL 176 Ca 0.39 -0.73 0.07 0.00 0.00 0.00 0.00 61.98 61.72 3juy s VAL 176 Cb 0.10 -2.19 -0.04 0.00 0.00 0.00 0.00 36.38 34.24 3juy s VAL 176 CO 0.00 0.55 -0.15 0.00 0.00 0.00 0.00 175.10 175.51 3juy s ALA 177 N -0.03 1.79 -0.06 5.51 0.00 0.37 -0.81 121.76 128.52 3juy s ALA 177 Ca -0.04 -1.49 0.03 0.00 0.00 0.00 0.00 51.96 50.47 3juy s ALA 177 Cb -0.14 -0.09 0.00 0.00 0.00 0.00 0.00 23.12 22.89 3juy s ALA 177 CO 0.04 0.10 -0.15 -1.58 0.00 0.00 0.00 175.76 174.16 3juy s TRP 178 N -2.55 1.68 -0.01 0.00 0.52 0.08 -1.06 118.94 117.59 3juy s TRP 178 Ca 0.16 -0.57 0.08 0.00 0.02 0.00 0.00 56.10 55.78 3juy s TRP 178 Cb -0.03 -1.17 -0.02 0.00 -1.15 0.00 0.00 33.47 31.10 3juy s TRP 178 CO 0.05 -0.25 -0.24 0.71 0.02 0.00 0.00 176.95 177.24 3juy s TYR 179 N 0.37 2.38 -0.17 -1.98 1.51 0.76 -0.17 117.35 120.05 3juy s TYR 179 Ca -0.11 -0.40 -0.08 0.00 -1.01 0.00 0.00 57.07 55.48 3juy s TYR 179 Cb -0.14 -1.50 -0.04 0.00 -0.11 0.00 0.00 41.96 40.17 3juy s TYR 179 CO 0.04 0.02 0.10 -1.14 -1.11 0.00 0.00 175.55 173.46 3juy s GLN 180 N -0.75 3.88 -0.15 -0.62 0.74 -0.11 -1.05 119.66 121.61 3juy s GLN 180 Ca 0.11 -0.25 -0.02 0.00 0.05 0.00 0.00 55.36 55.24 3juy s GLN 180 Cb -0.10 -3.26 0.05 0.00 1.10 0.00 0.00 33.01 30.79 3juy s GLN 180 CO -0.00 0.42 0.01 -1.58 -0.55 0.00 0.00 175.29 173.59 3juy s HIS 181 N -0.02 0.98 -0.50 1.67 2.46 0.12 -0.88 115.29 119.12 3juy s HIS 181 Ca 0.08 -0.64 -0.16 0.00 0.47 0.00 0.00 55.06 54.82 3juy s HIS 181 Cb -0.12 -0.98 0.10 0.00 -0.13 0.00 0.00 32.58 31.45 3juy s HIS 181 CO 0.00 -0.51 0.45 0.15 -2.47 0.00 0.00 174.74 172.37 3juy s LYS 182 N 1.87 2.99 0.58 2.88 1.02 -1.26 -1.60 119.74 126.22 3juy s LYS 182 Ca 0.01 -1.48 -0.19 0.00 0.02 0.00 0.00 55.97 54.33 3juy s LYS 182 Cb -0.15 -4.20 -0.05 0.00 -0.52 0.00 0.00 37.83 32.90 3juy s LYS 182 CO -0.07 -1.17 1.02 -2.30 -0.92 0.00 0.00 175.35 171.91 3juy n PRO 183 N 5.29 1.03 0.00 -1.68 -0.02 -1.26 -0.92 135.00 137.43 3juy n PRO 183 Ca -0.13 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 3juy n PRO 183 Cb 0.42 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 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 1.21 3.13 3.88 -1.23 0.00 -1.26 -5.02 105.19 105.90 3juy n GLY 184 Ca 0.13 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.37 3.15 0.12 1.61 -0.21 -0.10 -5.00 119.66 118.86 3juy s GLN 185 Ca 0.00 -0.84 -0.31 0.00 0.02 0.00 0.00 55.36 54.23 3juy s GLN 185 Cb 0.00 -2.75 -0.07 0.00 1.00 0.00 0.00 33.01 31.19 3juy s GLN 185 CO 0.00 0.45 1.29 0.00 -2.12 0.00 0.00 175.29 174.92 3juy s ALA 186 N -1.92 3.50 0.94 6.09 0.00 -1.26 -4.66 121.76 124.45 3juy s ALA 186 Ca 0.33 1.01 -0.12 0.00 0.00 0.00 0.00 51.96 53.18 3juy s ALA 186 Cb -0.09 -3.48 0.07 0.00 0.00 0.00 0.00 23.12 19.61 3juy s ALA 186 CO 0.26 -0.52 0.64 -2.30 0.00 0.00 0.00 175.76 173.84 3juy n PRO 187 N 3.58 -0.35 -4.25 0.00 -0.02 -1.26 -4.84 135.00 127.86 3juy n PRO 187 Ca 0.09 -0.05 -0.23 0.00 -2.02 0.00 0.00 63.50 61.28 3juy n PRO 187 Cb 0.44 -2.02 -0.17 0.00 -0.02 0.00 0.00 33.50 31.73 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 -3.95 1.29 0.27 -0.52 3.52 -0.06 -4.21 118.95 115.29 3juy s ARG 188 Ca 0.60 -0.24 -0.29 0.00 -0.13 0.00 0.00 55.73 55.67 3juy s ARG 188 Cb -0.22 -1.22 -0.10 0.00 -1.56 0.00 0.00 34.95 31.86 3juy s ARG 188 CO 0.65 -0.09 1.36 -1.17 -0.81 0.00 0.00 175.30 175.23 3juy s LEU 189 N 1.05 4.41 -0.01 -0.88 2.96 -1.26 -0.93 118.68 124.02 3juy s LEU 189 Ca -0.08 2.62 -0.05 0.00 -0.22 0.00 0.00 54.13 56.40 3juy s LEU 189 Cb -0.14 -3.63 -0.02 0.00 0.50 0.00 0.00 46.19 42.90 3juy s LEU 189 CO -0.00 -0.59 -0.09 0.52 -1.32 0.00 0.00 176.35 174.86 3juy n VAL 190 N 1.77 0.88 -5.04 1.68 0.31 0.76 -4.82 118.33 113.87 3juy n VAL 190 Ca 0.04 0.27 -0.32 0.00 -0.01 0.00 0.00 64.34 64.31 3juy n VAL 190 Cb 0.41 -1.65 -0.14 0.00 -0.91 0.00 0.00 33.84 31.55 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 -1.89 2.67 0.30 2.52 -1.09 -1.03 -0.94 121.20 121.75 3juy s ILE 191 Ca -0.07 -0.87 0.05 0.00 -2.23 0.00 0.00 60.65 57.53 3juy s ILE 191 Cb 0.01 -2.01 -0.06 0.00 -1.58 0.00 0.00 42.46 38.82 3juy s ILE 191 CO 0.11 0.58 0.01 -1.38 -1.23 0.00 0.00 174.94 173.03 3juy s HIS 192 N -0.59 1.94 -1.56 3.97 -3.43 0.51 -0.74 115.29 115.40 3juy s HIS 192 Ca 0.09 -0.84 -0.12 0.00 -0.80 0.00 0.00 55.06 53.38 3juy s HIS 192 Cb -0.11 -1.21 0.09 0.00 -1.43 0.00 0.00 32.58 29.93 3juy s HIS 192 CO 0.01 0.12 0.81 0.41 -2.00 0.00 0.00 174.74 174.09 3juy n GLY 193 N -0.63 -0.42 5.00 -1.38 0.00 -0.94 -0.22 105.19 106.60 3juy n GLY 193 Ca -0.04 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 -4.50 0.00 -0.71 1.61 0.31 0.01 -3.84 118.33 111.21 3juy n VAL 194 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 3juy n VAL 194 Cb 0.55 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.48 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 2.07 0.25 -4.70 4.52 3.41 -1.15 -3.17 113.62 114.85 3juy n SER 195 Ca 0.00 -0.96 -0.42 0.00 -0.26 0.00 0.00 58.87 57.23 3juy n SER 195 Cb 0.00 0.01 -0.03 0.00 -0.26 0.00 0.00 64.21 63.93 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 -0.01 7.13 0.03 4.04 -0.87 0.69 -4.64 114.94 121.31 3juy s ASN 196 Ca 0.00 1.82 -0.21 0.00 -1.57 0.00 0.00 52.86 52.90 3juy s ASN 196 Cb 0.00 -2.57 -0.06 0.00 -0.02 0.00 0.00 41.25 38.61 3juy s ASN 196 CO 0.00 -0.48 0.61 -0.60 -2.57 0.00 0.00 177.10 174.06 3juy s ARG 197 N 1.66 4.31 0.38 -0.60 3.52 -1.26 -0.36 118.95 126.60 3juy s ARG 197 Ca 0.55 0.78 -0.16 0.00 -0.13 0.00 0.00 55.73 56.77 3juy s ARG 197 Cb -0.25 -3.31 -0.09 0.00 -1.56 0.00 0.00 34.95 29.74 3juy s ARG 197 CO 0.25 0.46 0.83 0.00 -0.81 0.00 0.00 175.30 176.02 3juy s ALA 198 N -0.51 3.22 -0.33 6.12 0.00 -0.11 -4.89 121.76 125.25 3juy s ALA 198 Ca 0.31 0.13 -0.44 0.00 0.00 0.00 0.00 51.96 51.97 3juy s ALA 198 Cb -0.19 -2.91 -0.20 0.00 0.00 0.00 0.00 23.12 19.82 3juy s ALA 198 CO 0.19 0.18 1.40 0.45 0.00 0.00 0.00 175.76 177.97 3juy n SER 199 N -0.68 0.80 0.00 0.00 2.88 -1.26 -1.15 113.62 114.20 3juy n SER 199 Ca 0.05 1.16 0.00 0.00 -1.33 0.00 0.00 58.87 58.74 3juy n SER 199 Cb 0.54 -0.88 0.00 0.00 -0.75 0.00 0.00 64.21 63.12 3juy n SER 199 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3juy n GLY 200 N 3.13 0.58 3.43 0.46 0.00 -1.26 -5.03 105.19 106.50 3juy n GLY 200 Ca 0.27 -0.21 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 3juy n GLY 200 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3juy s ILE 201 N -2.00 4.50 0.63 -0.61 -1.09 -0.30 -5.08 121.20 117.24 3juy s ILE 201 Ca 0.00 -0.39 -0.18 0.00 -2.23 0.00 0.00 60.65 57.85 3juy s ILE 201 Cb 0.00 -3.26 -0.02 0.00 -1.58 0.00 0.00 42.46 37.60 3juy s ILE 201 CO 0.00 0.12 1.21 -0.94 -1.23 0.00 0.00 174.94 174.10 3juy s SER 202 N 1.61 4.94 0.00 3.58 1.04 -1.26 -4.81 113.70 118.79 3juy s SER 202 Ca 0.05 2.39 0.00 0.00 0.48 0.00 0.00 55.95 58.87 3juy s SER 202 Cb -0.17 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.36 3juy s SER 202 CO 0.05 -1.76 0.94 -0.90 0.98 0.00 0.00 173.24 172.55 3juy n ASP 203 N -1.87 0.00 0.32 7.02 5.75 -1.26 -1.54 116.55 124.97 3juy n ASP 203 Ca 0.14 0.44 0.20 0.00 -0.01 0.00 0.00 54.79 55.55 3juy n ASP 203 Cb 0.50 -0.44 1.08 0.00 -1.03 0.00 0.00 41.12 41.22 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 -5.67 0.11 3.08 -1.94 -3.41 114.38 106.55 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 0.01 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 29.97 3juy h ARG 204 CO 0.00 0.00 -0.24 -0.06 -1.07 0.00 0.00 179.97 178.60 3juy s PHE 205 N -4.32 3.53 -0.03 3.04 0.40 -0.59 -2.32 117.98 117.69 3juy s PHE 205 Ca -0.05 0.77 0.00 0.00 -0.60 0.00 0.00 56.93 57.05 3juy s PHE 205 Cb 0.13 -2.40 0.03 0.00 0.51 0.00 0.00 43.02 41.29 3juy s PHE 205 CO 0.45 0.29 0.01 0.45 0.70 0.00 0.00 175.22 177.12 3juy s SER 206 N 0.24 0.35 -0.06 1.36 0.15 0.46 -4.97 113.70 111.23 3juy s SER 206 Ca 0.21 -0.00 0.05 0.00 0.70 0.00 0.00 55.95 56.90 3juy s SER 206 Cb -0.14 -0.18 -0.02 0.00 -1.71 0.00 0.00 66.02 63.97 3juy s SER 206 CO 0.08 -0.11 -0.19 -0.83 1.20 0.00 0.00 173.24 173.39 3juy s GLY 207 N 1.08 1.43 0.34 9.45 0.00 -1.26 0.29 107.32 118.64 3juy s GLY 207 Ca -0.09 -1.01 -0.12 0.00 0.00 0.00 0.00 44.72 43.50 3juy s GLY 207 CO -0.02 -0.70 0.64 -1.35 0.00 0.00 0.00 173.10 171.67 3juy s SER 208 N -0.44 0.21 0.00 1.64 1.04 -0.43 -4.24 113.70 111.49 3juy s SER 208 Ca 0.05 -1.14 0.00 0.00 0.48 0.00 0.00 55.95 55.34 3juy s SER 208 Cb -0.12 0.74 0.00 0.00 0.10 0.00 0.00 66.02 66.74 3juy s SER 208 CO 0.02 -1.45 0.00 0.61 0.98 0.00 0.00 173.24 173.39 3juy n GLY 209 N -0.51 1.15 3.57 7.32 0.00 -1.26 -0.72 105.19 114.74 3juy n GLY 209 Ca -0.04 -2.02 -0.06 0.00 0.00 0.00 0.00 46.02 43.90 3juy n GLY 209 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3juy s SER 210 N 0.00 -0.22 0.00 1.61 0.15 -0.59 -4.98 113.70 109.67 3juy s SER 210 Ca 0.00 0.03 0.00 0.00 0.70 0.00 0.00 55.95 56.68 3juy s SER 210 Cb 0.00 0.23 0.00 0.00 -1.71 0.00 0.00 66.02 64.54 3juy s SER 210 CO 0.00 -0.36 0.00 0.61 1.20 0.00 0.00 173.24 174.69 3juy n GLY 211 N -0.06 0.88 0.00 9.45 0.00 -1.26 -2.36 105.19 111.84 3juy n GLY 211 Ca -0.03 0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.52 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 -4.95 2.61 -1.04 -1.26 -0.21 114.28 109.43 3juy n THR 212 Ca 0.00 -0.13 -0.28 0.00 -2.04 0.00 0.00 64.05 61.60 3juy n THR 212 Cb 0.00 1.03 -0.17 0.00 -1.82 0.00 0.00 70.33 69.38 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 -0.25 2.49 0.14 8.00 1.01 -0.99 -1.39 116.67 125.68 3juy s ASP 213 Ca 0.00 -0.43 0.05 0.00 0.71 0.00 0.00 52.55 52.88 3juy s ASP 213 Cb 0.00 -1.04 -0.04 0.00 1.01 0.00 0.00 42.92 42.85 3juy s ASP 213 CO 0.00 0.12 -0.12 -0.36 0.21 0.00 0.00 175.17 175.03 3juy s PHE 214 N 0.37 1.30 -0.12 4.23 0.08 0.35 -1.54 117.98 122.65 3juy s PHE 214 Ca -0.14 -0.67 -0.08 0.00 0.12 0.00 0.00 56.93 56.16 3juy s PHE 214 Cb -0.16 -0.67 0.04 0.00 -0.57 0.00 0.00 43.02 41.66 3juy s PHE 214 CO 0.06 0.11 0.29 0.95 -0.10 0.00 0.00 175.22 176.52 3juy s THR 215 N -2.81 -0.02 -0.09 0.64 -4.23 0.10 0.40 115.64 109.64 3juy s THR 215 Ca 0.13 0.07 -0.04 0.00 -1.18 0.00 0.00 61.69 60.67 3juy s THR 215 Cb -0.01 -0.42 -0.04 0.00 1.34 0.00 0.00 72.50 73.37 3juy s THR 215 CO 0.02 0.03 0.09 -0.22 -0.54 0.00 0.00 174.62 174.00 3juy s LEU 216 N 0.77 4.07 -0.07 4.79 2.96 -0.95 -1.31 118.68 128.93 3juy s LEU 216 Ca -0.05 0.32 0.01 0.00 -0.22 0.00 0.00 54.13 54.19 3juy s LEU 216 Cb -0.06 -2.05 0.02 0.00 0.50 0.00 0.00 46.19 44.60 3juy s LEU 216 CO -0.05 0.37 -0.07 -0.89 -1.32 0.00 0.00 176.35 174.39 3juy s THR 217 N -1.02 0.81 -0.07 3.68 2.01 0.14 -0.72 115.64 120.47 3juy s THR 217 Ca 0.16 -0.25 -0.02 0.00 0.31 0.00 0.00 61.69 61.90 3juy s THR 217 Cb -0.12 -0.81 -0.04 0.00 0.01 0.00 0.00 72.50 71.55 3juy s THR 217 CO 0.06 0.30 0.04 -0.63 -0.69 0.00 0.00 174.62 173.69 3juy s ILE 218 N 1.09 4.55 -0.24 1.82 1.01 -1.02 -0.40 121.20 128.01 3juy s ILE 218 Ca -0.08 -0.25 -0.18 0.00 0.00 0.00 0.00 60.65 60.14 3juy s ILE 218 Cb -0.14 -2.97 -0.16 0.00 0.01 0.00 0.00 42.46 39.21 3juy s ILE 218 CO -0.01 0.54 -0.04 0.35 0.00 0.00 0.00 174.94 175.78 3juy n THR 219 N 1.86 1.53 -3.93 2.92 -2.24 -0.98 -2.10 114.28 111.34 3juy n THR 219 Ca -0.17 -0.17 -0.30 0.00 -2.27 0.00 0.00 64.05 61.14 3juy n THR 219 Cb 0.54 -1.98 -0.14 0.00 -2.10 0.00 0.00 70.33 66.64 3juy n THR 219 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3juy s ARG 220 N -2.43 1.84 -0.27 -0.78 1.04 -1.26 -3.55 118.95 113.55 3juy s ARG 220 Ca -0.33 -2.47 -0.33 0.00 -1.04 0.00 0.00 55.73 51.56 3juy s ARG 220 Cb 0.10 -3.18 -0.10 0.00 -2.04 0.00 0.00 34.95 29.73 3juy s ARG 220 CO 0.54 -1.10 2.15 0.28 -0.04 0.00 0.00 175.30 177.13 3juy n VAL 221 N 3.28 0.30 -2.48 4.99 0.31 -0.49 -4.74 118.33 119.50 3juy n VAL 221 Ca 0.05 -0.29 -0.24 0.00 -0.01 0.00 0.00 64.34 63.85 3juy n VAL 221 Cb 0.33 -1.95 0.10 0.00 -0.91 0.00 0.00 33.84 31.41 3juy n VAL 221 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 3juy s GLU 222 N 5.89 1.75 0.08 5.55 2.02 -1.26 -2.05 118.70 130.67 3juy s GLU 222 Ca 1.04 -0.89 -0.18 0.00 0.02 0.00 0.00 54.97 54.96 3juy s GLU 222 Cb -0.68 -2.28 -0.10 0.00 0.10 0.00 0.00 34.13 31.17 3juy s GLU 222 CO 0.46 -1.42 1.43 -1.35 0.02 0.00 0.00 175.26 174.40 3juy h PRO 223 N -0.57 0.50 -1.77 0.39 0.11 -2.01 -3.15 132.00 125.51 3juy h PRO 223 Ca -0.39 -0.22 0.00 0.00 0.11 0.00 0.00 66.00 65.50 3juy h PRO 223 Cb 1.27 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3juy h PRO 223 CO 0.44 0.77 0.00 -0.85 -0.21 0.00 0.00 178.00 178.15 3juy n GLU 224 N -4.49 0.59 0.00 1.05 0.00 -1.26 -2.69 120.64 113.84 3juy n GLU 224 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.12 3juy n GLU 224 Cb 0.35 -1.20 0.00 0.00 0.00 0.00 0.00 31.44 30.58 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 1.32 0.56 -4.64 -1.84 8.00 -1.19 -5.02 116.55 113.74 3juy n ASP 225 Ca 0.00 -1.15 -0.42 0.00 0.71 0.00 0.00 54.79 53.93 3juy n ASP 225 Cb 0.30 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.36 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 -0.15 3.26 0.00 1.24 0.40 -1.09 -4.93 117.98 116.72 3juy s PHE 226 Ca 0.00 1.10 0.00 0.00 -0.60 0.00 0.00 56.93 57.43 3juy s PHE 226 Cb 0.00 -3.21 0.00 0.00 0.51 0.00 0.00 43.02 40.32 3juy s PHE 226 CO 0.00 -0.51 0.00 0.00 0.70 0.00 0.00 175.22 175.41 3juy n ALA 227 N 6.22 0.00 -2.35 5.36 0.00 -0.84 -4.92 120.51 123.98 3juy n ALA 227 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.09 3juy n ALA 227 Cb 0.47 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.89 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 0.08 0.00 1.43 -0.62 -2.47 118.68 121.52 3juy s LEU 228 Ca 0.00 1.93 0.06 0.00 -1.03 0.00 0.00 54.13 55.09 3juy s LEU 228 Cb 0.00 -3.59 -0.04 0.00 0.03 0.00 0.00 46.19 42.60 3juy s LEU 228 CO 0.00 -0.29 -0.08 -0.31 0.23 0.00 0.00 176.35 175.90 3juy s TYR 229 N 0.49 2.81 -0.01 0.29 2.02 -0.64 0.15 117.35 122.45 3juy s TYR 229 Ca 0.53 -0.11 0.00 0.00 -0.37 0.00 0.00 57.07 57.12 3juy s TYR 229 Cb -0.27 -1.49 0.02 0.00 -0.40 0.00 0.00 41.96 39.82 3juy s TYR 229 CO 0.31 0.42 0.01 0.71 -1.57 0.00 0.00 175.55 175.43 3juy s TYR 230 N -1.18 0.11 0.35 2.71 1.51 -0.21 -1.46 117.35 119.17 3juy s TYR 230 Ca 0.21 0.05 0.07 0.00 -1.01 0.00 0.00 57.07 56.39 3juy s TYR 230 Cb -0.11 -0.20 -0.02 0.00 -0.11 0.00 0.00 41.96 41.51 3juy s TYR 230 CO 0.13 -0.06 0.37 0.00 -1.11 0.00 0.00 175.55 174.88 3juy s GLN 232 N -4.08 0.76 -0.26 0.00 0.74 -0.22 -1.50 119.66 115.09 3juy s GLN 232 Ca 0.44 0.97 -0.10 0.00 0.05 0.00 0.00 55.36 56.72 3juy s GLN 232 Cb -0.07 0.33 -0.05 0.00 1.10 0.00 0.00 33.01 34.33 3juy s GLN 232 CO 0.28 -0.10 0.15 0.08 -0.55 0.00 0.00 175.29 175.16 3juy s VAL 233 N 0.58 5.12 0.29 1.34 1.01 -0.85 -0.48 120.40 127.42 3juy s VAL 233 Ca -0.01 0.10 0.08 0.00 0.00 0.00 0.00 61.98 62.15 3juy s VAL 233 Cb -0.05 -3.41 -0.04 0.00 0.00 0.00 0.00 36.38 32.88 3juy s VAL 233 CO -0.04 0.30 0.13 -0.72 0.00 0.00 0.00 175.10 174.78 3juy s TYR 234 N 1.46 2.85 0.00 5.22 -0.85 -0.99 -2.29 117.35 122.76 3juy s TYR 234 Ca 0.07 -0.24 0.00 0.00 -0.52 0.00 0.00 57.07 56.38 3juy s TYR 234 Cb -0.15 -1.45 0.00 0.00 0.38 0.00 0.00 41.96 40.74 3juy s TYR 234 CO 0.07 0.46 0.00 0.41 -1.52 0.00 0.00 175.55 174.97 3juy n GLY 235 N -1.11 3.40 0.13 5.49 0.00 -1.07 -4.80 105.19 107.22 3juy n GLY 235 Ca -0.05 -0.51 -0.20 0.00 0.00 0.00 0.00 46.02 45.26 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 1.97 0.17 0.00 4.61 0.00 -1.92 -3.43 119.26 120.66 3juy h ALA 236 Ca 0.00 -1.07 -0.10 0.00 0.00 0.00 0.00 54.91 53.73 3juy h ALA 236 Cb 0.00 0.30 -0.16 0.00 0.00 0.00 0.00 17.79 17.93 3juy h ALA 236 CO 0.00 1.03 -0.47 -1.13 0.00 0.00 0.00 179.25 178.69 3juy n SER 237 N -3.54 -0.15 -3.62 0.00 3.41 -1.26 -5.04 113.62 103.43 3juy n SER 237 Ca -0.19 -1.82 -0.07 0.00 -0.26 0.00 0.00 58.87 56.53 3juy n SER 237 Cb 1.06 0.02 -0.08 0.00 -0.26 0.00 0.00 64.21 64.95 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 -1.09 -0.35 -0.03 4.04 1.04 -1.26 -4.99 113.70 111.06 3juy s SER 238 Ca 0.09 1.00 0.03 0.00 0.48 0.00 0.00 55.95 57.55 3juy s SER 238 Cb 0.11 1.47 0.00 0.00 0.10 0.00 0.00 66.02 67.70 3juy s SER 238 CO -0.05 -0.24 -0.10 -0.31 0.98 0.00 0.00 173.24 173.53 3juy s TYR 239 N 2.65 1.08 -0.05 5.02 1.51 -1.26 -2.61 117.35 123.68 3juy s TYR 239 Ca -0.00 -0.29 -0.05 0.00 -1.01 0.00 0.00 57.07 55.72 3juy s TYR 239 Cb -0.12 -0.77 0.01 0.00 -0.11 0.00 0.00 41.96 40.97 3juy s TYR 239 CO -0.14 -0.13 0.14 0.95 -1.11 0.00 0.00 175.55 175.26 3juy s THR 240 N 0.27 -0.00 0.27 -0.71 -4.23 -0.97 -4.61 115.64 105.66 3juy s THR 240 Ca -0.05 0.01 0.08 0.00 -1.18 0.00 0.00 61.69 60.55 3juy s THR 240 Cb -0.10 -0.21 -0.04 0.00 1.34 0.00 0.00 72.50 73.49 3juy s THR 240 CO 0.01 0.00 0.09 -0.36 -0.54 0.00 0.00 174.62 173.83 3juy s PHE 241 N 0.12 2.86 0.92 3.99 0.40 -1.26 -2.00 117.98 123.01 3juy s PHE 241 Ca -0.00 -0.19 -0.16 0.00 -0.60 0.00 0.00 56.93 55.98 3juy s PHE 241 Cb -0.01 -1.33 0.22 0.00 0.51 0.00 0.00 43.02 42.41 3juy s PHE 241 CO -0.00 0.55 1.15 0.41 0.70 0.00 0.00 175.22 178.02 3juy n GLY 242 N -1.04 -1.74 0.06 4.36 0.00 -0.56 -4.38 105.19 101.88 3juy n GLY 242 Ca -0.07 -1.66 0.12 0.00 0.00 0.00 0.00 46.02 44.41 3juy n GLY 242 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3juy n GLN 243 N -3.73 0.28 0.00 1.61 0.00 -1.26 -4.70 117.38 109.58 3juy n GLN 243 Ca 0.15 0.07 0.00 0.00 0.00 0.00 0.00 57.00 57.21 3juy n GLN 243 Cb 0.52 -1.66 0.00 0.00 0.00 0.00 0.00 30.24 29.10 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 1.35 2.20 2.85 2.61 0.00 -1.26 -4.91 105.19 108.03 3juy n GLY 244 Ca 0.03 -1.93 -0.19 0.00 0.00 0.00 0.00 46.02 43.93 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 -2.80 0.35 -0.48 2.61 2.01 -0.54 -4.80 115.64 111.99 3juy s THR 245 Ca 0.00 -0.00 -0.20 0.00 0.31 0.00 0.00 61.69 61.80 3juy s THR 245 Cb 0.00 -0.42 0.05 0.00 0.01 0.00 0.00 72.50 72.14 3juy s THR 245 CO 0.00 0.19 0.63 -0.75 -0.69 0.00 0.00 174.62 173.99 3juy s LYS 246 N 1.04 3.16 -0.50 4.92 2.20 -1.01 -1.63 119.74 127.93 3juy s LYS 246 Ca -0.09 -0.73 -0.25 0.00 -0.36 0.00 0.00 55.97 54.53 3juy s LYS 246 Cb -0.14 -4.05 0.03 0.00 -1.51 0.00 0.00 37.83 32.16 3juy s LYS 246 CO -0.01 -1.15 0.95 -1.17 -0.36 0.00 0.00 175.35 173.61 3juy s LEU 247 N 2.69 3.99 -0.03 5.43 2.96 -1.03 -0.93 118.68 131.75 3juy s LEU 247 Ca 0.17 -0.03 0.06 0.00 -0.22 0.00 0.00 54.13 54.11 3juy s LEU 247 Cb -0.18 -3.08 -0.02 0.00 0.50 0.00 0.00 46.19 43.41 3juy s LEU 247 CO 0.14 -1.14 -0.22 -1.83 -1.32 0.00 0.00 176.35 171.97 3juy s GLU 248 N 3.92 2.26 0.00 1.98 -1.05 -0.32 -1.99 118.70 123.50 3juy s GLU 248 Ca 0.35 -0.85 0.00 0.00 -0.15 0.00 0.00 54.97 54.32 3juy s GLU 248 Cb -0.11 -2.15 0.00 0.00 -0.44 0.00 0.00 34.13 31.43 3juy s GLU 248 CO 0.24 0.57 0.47 -2.13 0.95 0.00 0.00 175.26 175.36