#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jey n GLY 2 N 0.00 2.41 0.14 8.31 0.00 -1.26 -4.86 105.19 109.93 2jey n GLY 2 Ca 0.00 -0.55 0.10 0.00 0.00 0.00 0.00 46.02 45.57 2jey n GLY 2 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2jey h ARG 3 N 0.00 0.00 0.00 1.61 -0.00 -2.10 -3.48 114.38 110.40 2jey h ARG 3 Ca 0.00 0.00 -0.44 0.00 -0.50 0.00 0.00 59.98 59.04 2jey h ARG 3 Cb 0.00 0.00 0.10 0.00 0.00 0.00 0.00 29.97 30.07 2jey h ARG 3 CO 0.00 0.05 0.18 -0.85 0.00 0.00 0.00 179.97 179.35 2jey n GLU 4 N -2.82 -0.36 -2.55 0.04 0.28 -1.26 -5.01 120.64 108.96 2jey n GLU 4 Ca -0.00 -2.48 -0.43 0.00 -0.16 0.00 0.00 57.16 54.09 2jey n GLU 4 Cb 0.58 -0.80 -0.02 0.00 1.43 0.00 0.00 31.44 32.63 2jey n GLU 4 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 2jey s ASP 5 N -5.11 6.62 0.60 -1.84 -1.08 -1.26 -4.90 116.67 109.70 2jey s ASP 5 Ca 0.66 0.64 0.29 0.00 -0.52 0.00 0.00 52.55 53.62 2jey s ASP 5 Cb -0.03 -2.55 1.54 0.00 -1.46 0.00 0.00 42.92 40.43 2jey s ASP 5 CO 0.44 -1.23 1.95 1.55 0.52 0.00 0.00 175.17 178.40 2jey h PRO 6 N 9.36 0.00 -0.06 4.34 0.13 -1.96 -0.86 132.00 142.95 2jey h PRO 6 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 2jey h PRO 6 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 2jey h PRO 6 CO 1.10 0.00 0.00 1.04 -0.23 0.00 0.00 178.00 179.91 2jey n GLN 7 N -3.59 1.42 -0.02 0.86 6.02 -1.26 -3.61 117.38 117.19 2jey n GLN 7 Ca 0.05 -0.63 0.02 0.00 -0.01 0.00 0.00 57.00 56.43 2jey n GLN 7 Cb 0.54 -1.41 0.03 0.00 1.02 0.00 0.00 30.24 30.42 2jey n GLN 7 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2jey n LEU 8 N -0.19 1.72 -4.38 1.08 4.77 -0.33 -4.74 117.00 114.92 2jey n LEU 8 Ca 0.18 -1.44 -0.37 0.00 -0.03 0.00 0.00 56.01 54.34 2jey n LEU 8 Cb 0.24 -0.03 -0.13 0.00 -2.33 0.00 0.00 43.42 41.17 2jey n LEU 8 CO 0.14 0.41 -0.28 -0.76 -1.33 0.00 0.00 177.39 175.57 2jey s LEU 9 N -0.59 3.65 0.01 2.23 1.43 -1.24 0.19 118.68 124.36 2jey s LEU 9 Ca 0.05 -0.49 0.04 0.00 -1.03 0.00 0.00 54.13 52.70 2jey s LEU 9 Cb 0.03 -1.89 -0.01 0.00 0.03 0.00 0.00 46.19 44.34 2jey s LEU 9 CO 0.04 -0.12 -0.12 -0.69 0.23 0.00 0.00 176.35 175.69 2jey s VAL 10 N 1.55 0.93 -0.05 -1.59 1.01 -0.23 -4.99 120.40 117.03 2jey s VAL 10 Ca 0.04 -0.72 -0.09 0.00 0.00 0.00 0.00 61.98 61.21 2jey s VAL 10 Cb -0.16 -0.82 -0.05 0.00 0.00 0.00 0.00 36.38 35.35 2jey s VAL 10 CO 0.03 0.10 0.25 -0.60 0.00 0.00 0.00 175.10 174.88 2jey s ARG 11 N -0.70 3.61 0.42 2.72 3.52 -1.26 0.75 118.95 128.01 2jey s ARG 11 Ca 0.02 0.03 0.04 0.00 -0.13 0.00 0.00 55.73 55.69 2jey s ARG 11 Cb -0.06 -3.16 -0.04 0.00 -1.56 0.00 0.00 34.95 30.13 2jey s ARG 11 CO 0.00 0.71 0.04 0.14 -0.81 0.00 0.00 175.30 175.39 2jey s VAL 12 N -1.13 1.27 0.30 7.11 -7.23 0.30 -4.78 120.40 116.23 2jey s VAL 12 Ca 0.21 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.44 2jey s VAL 12 Cb -0.14 -2.57 0.30 0.00 0.56 0.00 0.00 36.38 34.54 2jey s VAL 12 CO 0.10 0.00 1.77 -0.09 -0.31 0.00 0.00 175.10 176.57 2jey h ARG 13 N 1.73 0.70 0.00 4.82 9.65 -1.92 0.76 114.38 130.12 2jey h ARG 13 Ca -0.41 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.42 2jey h ARG 13 Cb 1.27 -0.16 0.00 0.00 -1.39 0.00 0.00 29.97 29.69 2jey h ARG 13 CO 0.71 0.46 0.00 0.41 2.80 0.00 0.00 179.97 184.36 2jey n GLY 14 N -1.33 -1.18 0.00 2.80 0.00 -1.26 -4.84 105.19 99.38 2jey n GLY 14 Ca 0.23 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.22 2jey n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jey n GLY 15 N 0.36 0.70 3.75 -0.02 0.00 0.26 -0.38 105.19 109.87 2jey n GLY 15 Ca 0.04 -1.91 -0.37 0.00 0.00 0.00 0.00 46.02 43.78 2jey n GLY 15 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2jey s GLN 16 N -1.26 4.19 0.02 1.61 0.74 -1.25 0.11 119.66 123.82 2jey s GLN 16 Ca 0.00 0.26 0.08 0.00 0.05 0.00 0.00 55.36 55.76 2jey s GLN 16 Cb 0.00 -3.38 -0.02 0.00 1.10 0.00 0.00 33.01 30.70 2jey s GLN 16 CO 0.00 0.32 -0.25 -0.51 -0.55 0.00 0.00 175.29 174.30 2jey s LEU 17 N 0.17 2.12 -0.23 3.68 1.43 0.23 0.74 118.68 126.82 2jey s LEU 17 Ca 0.21 -0.52 -0.04 0.00 -1.03 0.00 0.00 54.13 52.75 2jey s LEU 17 Cb -0.14 -1.23 -0.01 0.00 0.03 0.00 0.00 46.19 44.84 2jey s LEU 17 CO 0.08 0.26 -0.04 -0.60 0.23 0.00 0.00 176.35 176.28 2jey s ARG 18 N -0.97 3.33 0.00 1.70 3.52 0.40 -1.07 118.95 125.87 2jey s ARG 18 Ca 0.10 -0.65 0.00 0.00 -0.13 0.00 0.00 55.73 55.05 2jey s ARG 18 Cb -0.10 -3.03 0.00 0.00 -1.56 0.00 0.00 34.95 30.27 2jey s ARG 18 CO 0.01 -0.22 0.00 0.41 -0.81 0.00 0.00 175.30 174.69 2jey n GLY 19 N 4.79 1.45 2.92 8.12 0.00 0.13 0.26 105.19 122.86 2jey n GLY 19 Ca -0.18 -2.03 -0.19 0.00 0.00 0.00 0.00 46.02 43.63 2jey n GLY 19 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2jey s ILE 20 N 1.04 0.54 -0.35 -0.61 2.07 0.23 -4.75 121.20 119.37 2jey s ILE 20 Ca 0.00 -0.18 -0.29 0.00 -1.41 0.00 0.00 60.65 58.77 2jey s ILE 20 Cb 0.00 -0.53 0.00 0.00 0.13 0.00 0.00 42.46 42.07 2jey s ILE 20 CO 0.00 0.20 1.35 -0.60 -1.91 0.00 0.00 174.94 173.98 2jey s ARG 21 N 0.55 3.76 -0.06 3.50 3.52 -1.26 -0.14 118.95 128.81 2jey s ARG 21 Ca -0.07 1.11 -0.03 0.00 -0.13 0.00 0.00 55.73 56.61 2jey s ARG 21 Cb -0.11 -3.95 -0.04 0.00 -1.56 0.00 0.00 34.95 29.30 2jey s ARG 21 CO 0.00 -1.32 0.07 -0.51 -0.81 0.00 0.00 175.30 172.73 2jey s LEU 22 N 4.85 3.90 -0.14 -0.88 1.43 0.15 -4.91 118.68 123.08 2jey s LEU 22 Ca 0.59 0.23 -0.29 0.00 -1.03 0.00 0.00 54.13 53.62 2jey s LEU 22 Cb -0.15 -2.06 -0.02 0.00 0.03 0.00 0.00 46.19 43.99 2jey s LEU 22 CO 0.28 0.35 1.27 -0.54 0.23 0.00 0.00 176.35 177.93 2jey s LYS 23 N -1.24 4.25 0.18 1.70 1.02 -1.26 0.66 119.74 125.05 2jey s LYS 23 Ca 0.17 1.69 0.07 0.00 0.02 0.00 0.00 55.97 57.92 2jey s LYS 23 Cb -0.12 -3.73 -0.04 0.00 -0.52 0.00 0.00 37.83 33.42 2jey s LYS 23 CO 0.07 -0.66 0.03 0.00 -0.92 0.00 0.00 175.35 173.87 2jey s ALA 24 N 3.27 3.27 0.16 5.17 0.00 0.11 -4.90 121.76 128.83 2jey s ALA 24 Ca 0.56 -1.36 -0.15 0.00 0.00 0.00 0.00 51.96 51.01 2jey s ALA 24 Cb -0.23 -1.05 0.13 0.00 0.00 0.00 0.00 23.12 21.97 2jey s ALA 24 CO 0.17 0.47 1.13 -2.30 0.00 0.00 0.00 175.76 175.23 2jey n PRO 25 N -0.23 -0.20 0.00 0.00 -0.02 -1.26 0.39 135.00 133.68 2jey n PRO 25 Ca -0.09 1.12 0.10 0.00 -2.02 0.00 0.00 63.50 62.61 2jey n PRO 25 Cb 0.55 -1.66 0.60 0.00 -0.02 0.00 0.00 33.50 32.98 2jey n PRO 25 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jey n GLY 26 N -1.31 -0.98 0.00 -1.23 0.00 -1.26 -4.99 105.19 95.42 2jey n GLY 26 Ca 0.06 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.96 2jey n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jey n GLY 27 N 0.79 0.58 3.83 -0.02 0.00 0.16 -5.07 105.19 105.47 2jey n GLY 27 Ca 0.15 -2.17 -0.33 0.00 0.00 0.00 0.00 46.02 43.68 2jey n GLY 27 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2jey s PRO 28 N -0.66 4.11 0.07 1.61 0.04 -1.26 0.06 135.00 138.98 2jey s PRO 28 Ca 0.00 0.97 0.06 0.00 0.04 0.00 0.00 61.00 62.07 2jey s PRO 28 Cb 0.00 -2.23 -0.03 0.00 0.04 0.00 0.00 34.50 32.28 2jey s PRO 28 CO 0.00 -0.04 -0.17 0.14 0.04 0.00 0.00 177.00 176.97 2jey s VAL 29 N -2.24 1.34 0.21 -0.36 -7.23 0.21 -3.49 120.40 108.84 2jey s VAL 29 Ca 0.59 -1.32 -0.27 0.00 -1.81 0.00 0.00 61.98 59.17 2jey s VAL 29 Cb -0.09 -1.24 -0.09 0.00 0.56 0.00 0.00 36.38 35.52 2jey s VAL 29 CO 0.18 -0.11 0.85 -0.44 -0.31 0.00 0.00 175.10 175.28 2jey s SER 30 N -1.66 7.47 -0.01 4.85 0.01 0.11 0.29 113.70 124.76 2jey s SER 30 Ca 0.02 1.77 0.00 0.00 1.31 0.00 0.00 55.95 59.05 2jey s SER 30 Cb -0.10 -2.54 0.01 0.00 0.21 0.00 0.00 66.02 63.60 2jey s SER 30 CO 0.03 0.16 0.00 0.00 0.41 0.00 0.00 173.24 173.84 2jey s ALA 31 N -1.21 0.13 -0.40 1.44 0.00 0.80 -1.65 121.76 120.87 2jey s ALA 31 Ca 0.39 0.10 0.01 0.00 0.00 0.00 0.00 51.96 52.47 2jey s ALA 31 Cb -0.24 -0.15 0.12 0.00 0.00 0.00 0.00 23.12 22.86 2jey s ALA 31 CO 0.28 -0.03 0.18 -0.06 0.00 0.00 0.00 175.76 176.13 2jey s PHE 32 N 0.51 2.05 0.07 0.00 0.40 0.16 0.76 117.98 121.93 2jey s PHE 32 Ca -0.04 -2.28 0.02 0.00 -0.60 0.00 0.00 56.93 54.02 2jey s PHE 32 Cb -0.07 -1.93 -0.04 0.00 0.51 0.00 0.00 43.02 41.49 2jey s PHE 32 CO -0.01 -0.82 0.14 -0.51 0.70 0.00 0.00 175.22 174.72 2jey s LEU 33 N 0.75 4.08 -1.34 -0.37 1.43 0.13 -0.85 118.68 122.50 2jey s LEU 33 Ca 0.15 0.13 -0.03 0.00 -1.03 0.00 0.00 54.13 53.35 2jey s LEU 33 Cb -0.22 -2.72 0.02 0.00 0.03 0.00 0.00 46.19 43.30 2jey s LEU 33 CO -0.07 0.17 0.81 0.61 0.23 0.00 0.00 176.35 178.10 2jey n GLY 34 N 0.36 -0.35 3.68 -3.19 0.00 -1.11 -3.88 105.19 100.70 2jey n GLY 34 Ca -0.07 0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 2jey n GLY 34 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jey s ILE 35 N -3.55 4.77 0.30 -0.61 1.01 0.14 -4.76 121.20 118.50 2jey s ILE 35 Ca 0.16 2.01 -0.29 0.00 0.00 0.00 0.00 60.65 62.53 2jey s ILE 35 Cb -0.08 -4.30 -0.10 0.00 0.01 0.00 0.00 42.46 37.99 2jey s ILE 35 CO 0.80 -0.03 1.38 -2.16 0.00 0.00 0.00 174.94 174.93 2jey s PRO 36 N 2.27 4.30 0.00 2.79 0.04 -1.26 0.09 135.00 143.22 2jey s PRO 36 Ca 0.47 2.28 0.00 0.00 0.04 0.00 0.00 61.00 63.79 2jey s PRO 36 Cb -0.17 -3.08 0.00 0.00 0.04 0.00 0.00 34.50 31.29 2jey s PRO 36 CO 0.15 -0.32 0.22 1.97 0.04 0.00 0.00 177.00 179.06 2jey n PHE 37 N 1.43 0.00 -3.82 0.56 1.16 -1.00 -4.86 117.46 110.93 2jey n PHE 37 Ca 0.03 0.00 -0.11 0.00 -1.87 0.00 0.00 57.45 55.50 2jey n PHE 37 Cb 0.41 0.00 -0.08 0.00 -1.61 0.00 0.00 39.48 38.20 2jey n PHE 37 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2jey s ALA 38 N -0.21 -0.46 0.28 1.98 0.00 -1.22 -2.58 121.76 119.55 2jey s ALA 38 Ca 0.00 -0.17 -0.30 0.00 0.00 0.00 0.00 51.96 51.49 2jey s ALA 38 Cb 0.00 0.27 -0.12 0.00 0.00 0.00 0.00 23.12 23.28 2jey s ALA 38 CO 0.00 -0.36 1.62 0.39 0.00 0.00 0.00 175.76 177.41 2jey n GLU 39 N 0.73 2.74 -1.68 0.00 -0.58 -0.08 -4.52 120.64 117.25 2jey n GLU 39 Ca -0.19 0.98 -0.59 0.00 -0.42 0.00 0.00 57.16 56.94 2jey n GLU 39 Cb 0.59 -2.78 -0.08 0.00 -0.57 0.00 0.00 31.44 28.60 2jey n GLU 39 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 2jey n PRO 40 N 2.41 0.81 -1.00 3.49 -0.02 -1.26 -4.58 135.00 134.85 2jey n PRO 40 Ca 0.09 0.30 -0.27 0.00 -2.02 0.00 0.00 63.50 61.60 2jey n PRO 40 Cb 0.37 -1.92 -0.05 0.00 -0.02 0.00 0.00 33.50 31.88 2jey n PRO 40 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2jey n PRO 41 N 4.23 2.69 -3.35 0.52 -0.04 -1.26 -4.87 135.00 132.92 2jey n PRO 41 Ca 0.25 -1.65 -0.22 0.00 -0.04 0.00 0.00 63.50 61.85 2jey n PRO 41 Cb 0.10 -2.49 0.03 0.00 -0.04 0.00 0.00 33.50 31.09 2jey n PRO 41 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2jey s VAL 42 N 2.48 2.12 0.00 0.52 -7.23 -1.26 -3.48 120.40 113.55 2jey s VAL 42 Ca 0.55 -1.19 0.00 0.00 -1.81 0.00 0.00 61.98 59.53 2jey s VAL 42 Cb 0.17 -2.31 0.00 0.00 0.56 0.00 0.00 36.38 34.79 2jey s VAL 42 CO -0.04 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.36 2jey n GLY 43 N -1.99 3.20 0.12 2.32 0.00 -1.26 0.61 105.19 108.18 2jey n GLY 43 Ca 0.08 0.26 0.12 0.00 0.00 0.00 0.00 46.02 46.48 2jey n GLY 43 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2jey n SER 44 N 6.30 0.63 -0.70 1.61 3.41 -1.26 -2.62 113.62 121.00 2jey n SER 44 Ca 0.00 0.65 0.12 0.00 -0.26 0.00 0.00 58.87 59.37 2jey n SER 44 Cb 0.00 -0.78 0.35 0.00 -0.26 0.00 0.00 64.21 63.51 2jey n SER 44 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2jey n ARG 45 N -2.19 1.93 -1.76 4.33 1.74 0.20 -4.82 116.66 116.10 2jey n ARG 45 Ca 0.03 -1.39 -0.41 0.00 -0.77 0.00 0.00 57.85 55.30 2jey n ARG 45 Cb 0.24 -1.45 -0.00 0.00 -1.02 0.00 0.00 32.46 30.24 2jey n ARG 45 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 2jey n ARG 46 N 0.63 2.60 0.00 5.56 0.63 -1.08 -1.77 116.66 123.24 2jey n ARG 46 Ca 0.17 0.91 0.00 0.00 -0.92 0.00 0.00 57.85 58.01 2jey n ARG 46 Cb 0.42 -2.62 0.00 0.00 0.45 0.00 0.00 32.46 30.71 2jey n ARG 46 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 2jey n PHE 47 N 0.55 0.00 -3.11 -0.14 3.72 -1.25 -4.92 117.46 112.30 2jey n PHE 47 Ca 0.02 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.11 2jey n PHE 47 Cb 0.38 -0.46 -0.05 0.00 -0.94 0.00 0.00 39.48 38.42 2jey n PHE 47 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 176.76 175.07 2jey s MET 48 N 0.00 3.89 0.63 -1.08 -1.94 -0.73 -4.33 119.30 115.73 2jey s MET 48 Ca 0.00 0.52 -0.17 0.00 -1.71 0.00 0.00 55.69 54.32 2jey s MET 48 Cb 0.00 -2.46 -0.06 0.00 2.01 0.00 0.00 34.83 34.32 2jey s MET 48 CO 0.00 0.13 0.69 -2.30 -0.01 0.00 0.00 175.02 173.53 2jey n PRO 49 N -0.62 0.57 -2.24 2.03 -0.02 -1.26 -4.90 135.00 128.56 2jey n PRO 49 Ca 0.02 0.23 -0.36 0.00 -2.02 0.00 0.00 63.50 61.38 2jey n PRO 49 Cb 0.53 -1.91 0.00 0.00 -0.02 0.00 0.00 33.50 32.10 2jey n PRO 49 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2jey s PRO 50 N -2.54 3.45 -0.07 0.52 0.04 -1.26 -5.03 135.00 130.11 2jey s PRO 50 Ca 0.71 1.68 -0.03 0.00 0.04 0.00 0.00 61.00 63.40 2jey s PRO 50 Cb -0.41 -2.12 -0.04 0.00 0.04 0.00 0.00 34.50 31.98 2jey s PRO 50 CO 0.52 -0.79 0.08 -1.21 0.04 0.00 0.00 177.00 175.64 2jey s GLU 51 N -3.11 3.17 0.24 4.56 2.02 -1.26 -4.98 118.70 119.33 2jey s GLU 51 Ca 0.70 -0.34 -0.29 0.00 0.02 0.00 0.00 54.97 55.06 2jey s GLU 51 Cb -0.26 -2.95 -0.15 0.00 0.10 0.00 0.00 34.13 30.87 2jey s GLU 51 CO 0.30 0.71 0.94 -2.30 0.02 0.00 0.00 175.26 174.92 2jey n PRO 52 N 1.75 0.99 -1.77 0.39 -0.02 -1.26 -0.91 135.00 134.17 2jey n PRO 52 Ca -0.17 0.35 -0.42 0.00 -2.02 0.00 0.00 63.50 61.24 2jey n PRO 52 Cb 0.54 -1.67 -0.03 0.00 -0.02 0.00 0.00 33.50 32.32 2jey n PRO 52 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2jey s LYS 53 N -1.13 4.15 0.19 -0.52 2.47 -1.07 -3.94 119.74 119.88 2jey s LYS 53 Ca 0.64 2.55 -0.31 0.00 -1.56 0.00 0.00 55.97 57.29 2jey s LYS 53 Cb -0.80 -3.36 -0.09 0.00 -1.46 0.00 0.00 37.83 32.12 2jey s LYS 53 CO 0.57 -0.77 1.40 1.03 0.16 0.00 0.00 175.35 177.73 2jey s ARG 54 N 2.00 4.32 0.37 4.03 0.52 -1.26 -4.85 118.95 124.08 2jey s ARG 54 Ca 0.77 2.16 -0.25 0.00 -0.52 0.00 0.00 55.73 57.88 2jey s ARG 54 Cb -0.46 -3.18 -0.12 0.00 0.52 0.00 0.00 34.95 31.70 2jey s ARG 54 CO 0.34 -0.39 0.91 -2.30 0.02 0.00 0.00 175.30 173.88 2jey n PRO 55 N 3.06 1.17 -3.67 3.54 -0.02 -1.26 -4.99 135.00 132.83 2jey n PRO 55 Ca 0.09 0.42 -0.22 0.00 -2.02 0.00 0.00 63.50 61.76 2jey n PRO 55 Cb 0.41 -1.84 -0.03 0.00 -0.02 0.00 0.00 33.50 32.02 2jey n PRO 55 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 2jey s TRP 56 N -1.22 2.54 0.22 6.00 -2.14 0.49 -5.01 118.94 119.82 2jey s TRP 56 Ca 0.62 -0.55 0.07 0.00 2.66 0.00 0.00 56.10 58.89 2jey s TRP 56 Cb -0.63 -2.11 -0.04 0.00 -3.10 0.00 0.00 33.47 27.59 2jey s TRP 56 CO 0.58 -0.14 0.12 -1.54 -2.66 0.00 0.00 176.95 173.31 2jey s SER 57 N -4.13 5.25 0.74 -2.66 1.04 -1.26 -4.66 113.70 108.02 2jey s SER 57 Ca 0.46 -0.31 0.00 0.00 0.48 0.00 0.00 55.95 56.58 2jey s SER 57 Cb -0.02 -1.26 0.00 0.00 0.10 0.00 0.00 66.02 64.84 2jey s SER 57 CO 0.27 0.01 0.00 0.61 0.98 0.00 0.00 173.24 175.11 2jey n GLY 58 N -0.80 -0.01 3.67 7.32 0.00 -1.26 -4.67 105.19 109.44 2jey n GLY 58 Ca -0.08 -0.99 -0.36 0.00 0.00 0.00 0.00 46.02 44.59 2jey n GLY 58 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jey s VAL 59 N 0.00 5.36 0.09 1.61 1.01 -1.26 -3.80 120.40 123.42 2jey s VAL 59 Ca 0.00 0.20 -0.30 0.00 0.00 0.00 0.00 61.98 61.88 2jey s VAL 59 Cb 0.00 -3.50 -0.05 0.00 0.00 0.00 0.00 36.38 32.82 2jey s VAL 59 CO 0.00 0.36 0.99 -0.22 0.00 0.00 0.00 175.10 176.22 2jey s LEU 60 N 0.94 4.46 -0.42 3.92 0.20 0.23 -4.87 118.68 123.15 2jey s LEU 60 Ca 0.08 1.80 -0.28 0.00 0.69 0.00 0.00 54.13 56.41 2jey s LEU 60 Cb -0.13 -3.59 0.02 0.00 -0.43 0.00 0.00 46.19 42.07 2jey s LEU 60 CO 0.03 -0.14 1.08 -0.62 -0.29 0.00 0.00 176.35 176.42 2jey s ASP 61 N 0.25 6.72 -0.53 3.68 -1.08 -1.26 -0.46 116.67 124.00 2jey s ASP 61 Ca 0.49 0.64 0.03 0.00 -0.52 0.00 0.00 52.55 53.19 2jey s ASP 61 Cb -0.23 -2.53 0.42 0.00 -1.46 0.00 0.00 42.92 39.11 2jey s ASP 61 CO 0.30 -1.08 1.45 0.00 0.52 0.00 0.00 175.17 176.35 2jey n ALA 62 N 7.38 5.54 0.12 3.66 0.00 0.14 -4.68 120.51 132.67 2jey n ALA 62 Ca 0.11 -4.06 0.08 0.00 0.00 0.00 0.00 53.44 49.57 2jey n ALA 62 Cb 0.48 -0.97 -0.11 0.00 0.00 0.00 0.00 19.45 18.85 2jey n ALA 62 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2jey n THR 63 N -0.60 0.00 -4.35 0.00 -2.24 -1.24 0.17 114.28 106.02 2jey n THR 63 Ca 0.46 -0.32 -0.19 0.00 -2.27 0.00 0.00 64.05 61.74 2jey n THR 63 Cb 0.63 0.30 -0.10 0.00 -2.10 0.00 0.00 70.33 69.06 2jey n THR 63 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2jey s THR 64 N -2.96 1.64 0.50 4.28 -4.23 -1.26 -4.79 115.64 108.82 2jey s THR 64 Ca -0.04 -2.18 -0.21 0.00 -1.18 0.00 0.00 61.69 58.09 2jey s THR 64 Cb 0.10 -2.12 -0.07 0.00 1.34 0.00 0.00 72.50 71.75 2jey s THR 64 CO 0.64 -0.54 1.12 -0.36 -0.54 0.00 0.00 174.62 174.94 2jey s PHE 65 N -3.03 2.82 0.65 3.99 0.08 -1.26 -3.22 117.98 118.00 2jey s PHE 65 Ca 0.24 1.55 -0.04 0.00 0.12 0.00 0.00 56.93 58.80 2jey s PHE 65 Cb 0.01 -3.28 0.14 0.00 -0.57 0.00 0.00 43.02 39.31 2jey s PHE 65 CO 0.07 -1.39 0.88 1.04 -0.10 0.00 0.00 175.22 175.73 2jey n GLN 66 N -0.91 -0.27 -1.69 0.44 1.13 -1.26 -4.80 117.38 110.02 2jey n GLN 66 Ca 0.09 -2.06 -0.38 0.00 -1.94 0.00 0.00 57.00 52.72 2jey n GLN 66 Cb 0.50 -0.70 0.05 0.00 0.11 0.00 0.00 30.24 30.20 2jey n GLN 66 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 2jey n ASN 67 N -3.14 1.85 -4.81 1.08 3.02 -1.26 -4.76 115.26 107.24 2jey n ASN 67 Ca 0.13 0.91 -0.38 0.00 -0.03 0.00 0.00 54.58 55.22 2jey n ASN 67 Cb 0.48 -1.49 -0.06 0.00 -0.61 0.00 0.00 39.78 38.10 2jey n ASN 67 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2jey s VAL 68 N -1.37 4.69 0.50 2.41 1.01 0.47 -4.56 120.40 123.55 2jey s VAL 68 Ca 0.73 1.24 -0.23 0.00 0.00 0.00 0.00 61.98 63.72 2jey s VAL 68 Cb -0.43 -3.91 -0.06 0.00 0.00 0.00 0.00 36.38 31.98 2jey s VAL 68 CO 0.48 0.49 1.37 0.00 0.00 0.00 0.00 175.10 177.44 2jey s TYR 70 N -1.28 2.92 0.08 0.00 5.04 -1.18 -4.64 117.35 118.30 2jey s TYR 70 Ca 0.66 0.37 -0.24 0.00 -2.44 0.00 0.00 57.07 55.43 2jey s TYR 70 Cb -0.41 -4.12 0.06 0.00 0.35 0.00 0.00 41.96 37.84 2jey s TYR 70 CO 0.50 -4.23 0.58 1.14 -1.34 0.00 0.00 175.55 172.19 2jey s GLN 71 N 1.15 1.15 0.15 4.97 -2.07 -1.26 -4.60 119.66 119.14 2jey s GLN 71 Ca 0.74 -0.28 -0.31 0.00 -1.82 0.00 0.00 55.36 53.69 2jey s GLN 71 Cb -0.49 0.53 -0.11 0.00 -1.09 0.00 0.00 33.01 31.85 2jey s GLN 71 CO 0.32 -0.45 1.74 -0.47 -1.32 0.00 0.00 175.29 175.12 2jey s TYR 72 N -2.88 2.54 -0.29 9.60 6.14 -1.24 -5.00 117.35 126.22 2jey s TYR 72 Ca -0.03 0.21 -0.17 0.00 0.64 0.00 0.00 57.07 57.73 2jey s TYR 72 Cb -0.00 -4.11 -0.02 0.00 0.42 0.00 0.00 41.96 38.24 2jey s TYR 72 CO -0.05 -4.40 0.46 0.08 0.64 0.00 0.00 175.55 172.28 2jey s VAL 73 N 2.01 5.09 0.20 3.14 1.01 -1.26 -4.83 120.40 125.77 2jey s VAL 73 Ca 0.77 0.61 -0.31 0.00 0.00 0.00 0.00 61.98 63.05 2jey s VAL 73 Cb -0.46 -3.82 -0.10 0.00 0.00 0.00 0.00 36.38 32.00 2jey s VAL 73 CO 0.34 0.03 1.53 -1.81 0.00 0.00 0.00 175.10 175.19 2jey s ASP 74 N 1.64 6.59 -0.05 3.32 1.01 -1.26 -4.90 116.67 123.02 2jey s ASP 74 Ca 0.18 2.66 0.08 0.00 0.71 0.00 0.00 52.55 56.18 2jey s ASP 74 Cb -0.16 -2.61 0.13 0.00 1.01 0.00 0.00 42.92 41.30 2jey s ASP 74 CO 0.11 -0.79 1.07 0.35 0.21 0.00 0.00 175.17 176.11 2jey n THR 75 N 3.29 0.65 -0.12 -1.27 -2.24 -1.26 -4.84 114.28 108.49 2jey n THR 75 Ca 0.11 -0.87 -0.11 0.00 -2.27 0.00 0.00 64.05 60.91 2jey n THR 75 Cb 0.39 0.28 -0.03 0.00 -2.10 0.00 0.00 70.33 68.88 2jey n THR 75 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2jey h LEU 76 N 0.11 0.63 -7.13 3.22 5.85 -2.01 -3.32 115.31 112.65 2jey h LEU 76 Ca -0.02 -0.34 -0.62 0.00 0.84 0.00 0.00 57.88 57.74 2jey h LEU 76 Cb 1.30 -0.17 -0.42 0.00 0.37 0.00 0.00 40.66 41.74 2jey h LEU 76 CO 0.01 0.82 -0.59 -0.31 -0.34 0.00 0.00 178.44 178.03 2jey s TYR 77 N -4.88 3.48 0.21 1.25 2.02 -1.26 -5.09 117.35 113.08 2jey s TYR 77 Ca -0.13 -3.31 -0.30 0.00 -0.37 0.00 0.00 57.07 52.96 2jey s TYR 77 Cb 0.09 -2.72 -0.10 0.00 -0.40 0.00 0.00 41.96 38.84 2jey s TYR 77 CO 0.79 -0.58 1.44 -2.14 -1.57 0.00 0.00 175.55 173.48 2jey s PRO 78 N -1.24 4.28 0.00 -1.71 0.02 -1.25 -2.38 135.00 132.73 2jey s PRO 78 Ca 0.23 2.25 0.00 0.00 0.02 0.00 0.00 61.00 63.51 2jey s PRO 78 Cb -0.08 -3.15 0.00 0.00 0.02 0.00 0.00 34.50 31.29 2jey s PRO 78 CO -0.14 -0.43 0.00 0.41 -0.33 0.00 0.00 177.00 176.51 2jey n GLY 79 N 2.65 2.92 3.68 0.52 0.00 -1.26 -5.02 105.19 108.68 2jey n GLY 79 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 2jey n GLY 79 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2jey s PHE 80 N -2.30 2.41 0.48 1.61 5.36 -1.00 -4.88 117.98 119.66 2jey s PHE 80 Ca 0.00 0.40 0.31 0.00 -0.96 0.00 0.00 56.93 56.68 2jey s PHE 80 Cb 0.00 -3.89 1.68 0.00 -0.34 0.00 0.00 43.02 40.47 2jey s PHE 80 CO 0.00 -3.55 2.16 1.49 -1.46 0.00 0.00 175.22 173.86 2jey h GLU 81 N 8.49 0.00 0.00 10.12 4.57 -1.95 0.24 114.58 136.05 2jey h GLU 81 Ca -0.41 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 57.74 2jey h GLU 81 Cb 1.19 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.78 2jey h GLU 81 CO 0.93 0.06 -0.18 0.78 -1.18 0.00 0.00 179.01 179.43 2jey h GLY 82 N 0.56 0.00 0.00 1.92 0.00 -1.93 -2.33 103.07 101.29 2jey h GLY 82 Ca -0.00 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.04 2jey h GLY 82 CO 0.01 0.00 -2.09 -1.30 0.00 0.00 0.00 176.54 173.15 2jey n THR 83 N -3.19 1.09 -0.21 4.70 -2.24 -0.89 -4.59 114.28 108.95 2jey n THR 83 Ca 0.02 -0.65 -0.04 0.00 -2.27 0.00 0.00 64.05 61.11 2jey n THR 83 Cb 0.53 -0.63 0.06 0.00 -2.10 0.00 0.00 70.33 68.19 2jey n THR 83 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2jey h GLU 84 N 0.00 0.70 0.00 -0.78 4.39 -0.48 -2.21 114.58 116.19 2jey h GLU 84 Ca -0.43 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.23 2jey h GLU 84 Cb 1.96 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 30.45 2jey h GLU 84 CO 0.02 0.46 0.08 0.00 -1.16 0.00 0.00 179.01 178.41 2jey h MET 85 N 0.72 0.00 0.00 2.33 -0.00 -1.66 0.24 114.93 116.56 2jey h MET 85 Ca 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.95 2jey h MET 85 Cb 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.64 2jey h MET 85 CO -0.11 0.00 -1.89 0.91 -0.00 0.00 0.00 176.91 175.82 2jey n TRP 86 N -2.48 0.00 -2.22 -0.10 7.02 -0.84 -4.65 117.44 114.17 2jey n TRP 86 Ca -0.02 0.00 -0.35 0.00 -1.02 0.00 0.00 57.50 56.11 2jey n TRP 86 Cb 0.12 -0.45 0.01 0.00 -2.42 0.00 0.00 31.31 28.57 2jey n TRP 86 CO 0.00 0.00 0.00 -0.80 -2.02 0.00 0.00 177.69 174.87 2jey s ASN 87 N -4.34 5.69 0.25 -0.99 0.01 0.84 -4.55 114.94 111.84 2jey s ASN 87 Ca -0.06 2.23 -0.31 0.00 -0.71 0.00 0.00 52.86 54.01 2jey s ASN 87 Cb 0.14 -2.59 -0.13 0.00 0.41 0.00 0.00 41.25 39.08 2jey s ASN 87 CO 0.89 -1.25 1.41 -2.65 -1.51 0.00 0.00 177.10 173.99 2jey n PRO 88 N -1.25 2.06 -0.20 -0.60 -0.02 -1.26 -4.86 135.00 128.87 2jey n PRO 88 Ca 0.11 0.73 0.06 0.00 -2.02 0.00 0.00 63.50 62.38 2jey n PRO 88 Cb 0.50 -2.39 0.15 0.00 -0.02 0.00 0.00 33.50 31.75 2jey n PRO 88 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 2jey n ASN 89 N 2.07 2.97 -3.94 2.55 6.94 -1.26 -4.96 115.26 119.63 2jey n ASN 89 Ca 0.11 -2.23 -0.15 0.00 -0.02 0.00 0.00 54.58 52.28 2jey n ASN 89 Cb 0.32 -0.27 -0.09 0.00 -2.36 0.00 0.00 39.78 37.38 2jey n ASN 89 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 2jey s ARG 90 N -1.42 1.43 0.36 -3.83 1.81 -1.26 -5.06 118.95 110.99 2jey s ARG 90 Ca 0.24 -1.79 -0.28 0.00 -1.72 0.00 0.00 55.73 52.18 2jey s ARG 90 Cb 0.15 0.19 -0.12 0.00 -0.45 0.00 0.00 34.95 34.73 2jey s ARG 90 CO 0.12 -0.47 1.40 -1.91 -0.68 0.00 0.00 175.30 173.77 2jey n GLU 91 N -0.43 2.44 -2.65 3.54 2.13 -1.26 -4.42 120.64 119.99 2jey n GLU 91 Ca 0.03 0.86 -0.43 0.00 0.66 0.00 0.00 57.16 58.28 2jey n GLU 91 Cb 0.65 -2.52 -0.02 0.00 0.27 0.00 0.00 31.44 29.81 2jey n GLU 91 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2jey s LEU 92 N -1.60 4.10 -0.07 4.31 1.43 -1.26 -0.40 118.68 125.20 2jey s LEU 92 Ca 0.54 1.39 -0.17 0.00 -1.03 0.00 0.00 54.13 54.86 2jey s LEU 92 Cb -0.52 -3.54 0.04 0.00 0.03 0.00 0.00 46.19 42.20 2jey s LEU 92 CO 0.63 -0.67 0.41 -0.55 0.23 0.00 0.00 176.35 176.40 2jey s SER 93 N 1.23 -0.35 0.50 2.29 0.15 0.60 -4.89 113.70 113.23 2jey s SER 93 Ca 0.44 0.45 0.24 0.00 0.70 0.00 0.00 55.95 57.78 2jey s SER 93 Cb -0.15 0.54 1.32 0.00 -1.71 0.00 0.00 66.02 66.02 2jey s SER 93 CO 0.06 -0.37 2.04 -0.33 1.20 0.00 0.00 173.24 175.85 2jey h GLU 94 N 4.27 0.00 -5.83 5.44 5.08 -1.93 -3.11 114.58 118.50 2jey h GLU 94 Ca -0.28 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 57.47 2jey h GLU 94 Cb 1.17 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 30.30 2jey h GLU 94 CO 0.34 0.14 0.99 0.34 -1.00 0.00 0.00 179.01 179.83 2jey s ASP 95 N -6.38 6.32 0.00 1.42 2.15 -1.26 -4.19 116.67 114.73 2jey s ASP 95 Ca -0.03 -1.10 0.00 0.00 0.43 0.00 0.00 52.55 51.85 2jey s ASP 95 Cb 0.14 -2.50 0.00 0.00 -0.30 0.00 0.00 42.92 40.26 2jey s ASP 95 CO 0.62 -1.53 0.19 0.00 -0.17 0.00 0.00 175.17 174.28 2jey n LEU 97 N 0.00 5.61 -4.13 0.00 4.77 -1.26 -4.48 117.00 117.51 2jey n LEU 97 Ca 0.00 -4.22 -0.13 0.00 -0.03 0.00 0.00 56.01 51.63 2jey n LEU 97 Cb 0.49 -1.66 -0.11 0.00 -2.33 0.00 0.00 43.42 39.81 2jey n LEU 97 CO 0.00 0.66 -0.40 -0.31 -1.33 0.00 0.00 177.39 176.01 2jey s TYR 98 N 2.72 0.88 0.15 -1.77 2.02 -1.26 -2.37 117.35 117.72 2jey s TYR 98 Ca 0.47 -0.66 0.01 0.00 -0.37 0.00 0.00 57.07 56.53 2jey s TYR 98 Cb 0.05 -0.50 -0.04 0.00 -0.40 0.00 0.00 41.96 41.06 2jey s TYR 98 CO 0.02 -0.07 -0.00 -0.48 -1.57 0.00 0.00 175.55 173.44 2jey s LEU 99 N -2.27 2.14 -0.02 -1.29 0.05 0.11 -0.46 118.68 116.94 2jey s LEU 99 Ca 0.01 -1.15 0.04 0.00 0.05 0.00 0.00 54.13 53.09 2jey s LEU 99 Cb -0.03 -0.01 -0.01 0.00 -2.05 0.00 0.00 46.19 44.09 2jey s LEU 99 CO -0.01 -0.57 -0.15 0.20 -0.55 0.00 0.00 176.35 175.27 2jey s ASN 100 N -3.13 1.79 -0.15 1.48 0.01 0.36 0.27 114.94 115.57 2jey s ASN 100 Ca 0.22 -0.28 0.00 0.00 -0.71 0.00 0.00 52.86 52.09 2jey s ASN 100 Cb 0.06 -0.34 0.03 0.00 0.41 0.00 0.00 41.25 41.41 2jey s ASN 100 CO 0.02 0.16 -0.12 -0.69 -1.51 0.00 0.00 177.10 174.96 2jey s VAL 101 N -0.15 1.44 -0.09 1.60 1.01 -0.03 -0.27 120.40 123.91 2jey s VAL 101 Ca 0.02 -0.60 -0.03 0.00 0.00 0.00 0.00 61.98 61.36 2jey s VAL 101 Cb -0.08 -1.40 -0.03 0.00 0.00 0.00 0.00 36.38 34.87 2jey s VAL 101 CO 0.00 0.39 0.03 0.26 0.00 0.00 0.00 175.10 175.78 2jey s TRP 102 N 1.53 3.26 0.06 5.22 0.51 0.24 0.36 118.94 130.13 2jey s TRP 102 Ca 0.04 0.27 -0.06 0.00 -2.12 0.00 0.00 56.10 54.22 2jey s TRP 102 Cb -0.13 -1.82 -0.01 0.00 -0.81 0.00 0.00 33.47 30.69 2jey s TRP 102 CO -0.10 0.53 0.12 0.95 -0.51 0.00 0.00 176.95 177.94 2jey s THR 103 N -0.90 0.15 1.00 2.01 -4.23 -0.66 0.44 115.64 113.45 2jey s THR 103 Ca 0.13 -1.22 -0.16 0.00 -1.18 0.00 0.00 61.69 59.26 2jey s THR 103 Cb -0.11 -1.17 -0.03 0.00 1.34 0.00 0.00 72.50 72.52 2jey s THR 103 CO 0.03 -0.68 -0.21 -2.65 -0.54 0.00 0.00 174.62 170.57 2jey n PRO 104 N 0.34 -0.38 -4.02 3.99 -0.02 -1.26 0.05 135.00 133.69 2jey n PRO 104 Ca -0.17 -0.09 -0.25 0.00 -2.02 0.00 0.00 63.50 60.98 2jey n PRO 104 Cb 0.60 -1.49 -0.17 0.00 -0.02 0.00 0.00 33.50 32.42 2jey n PRO 104 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 2jey s TYR 105 N -2.21 1.23 1.01 6.00 5.04 -1.23 -2.67 117.35 124.53 2jey s TYR 105 Ca 0.50 -0.53 -0.12 0.00 -2.44 0.00 0.00 57.07 54.48 2jey s TYR 105 Cb -0.16 -1.05 0.20 0.00 0.35 0.00 0.00 41.96 41.30 2jey s TYR 105 CO 0.72 -0.40 1.08 -1.25 -1.34 0.00 0.00 175.55 174.36 2jey s PRO 106 N 1.49 0.28 0.57 4.97 0.04 -1.26 -4.77 135.00 136.31 2jey s PRO 106 Ca -0.00 1.01 -0.20 0.00 0.04 0.00 0.00 61.00 61.85 2jey s PRO 106 Cb -0.13 -1.68 -0.06 0.00 0.04 0.00 0.00 34.50 32.67 2jey s PRO 106 CO -0.05 -2.97 1.05 0.54 0.04 0.00 0.00 177.00 175.62 2jey n ARG 107 N -4.41 1.11 -1.76 4.56 1.74 -1.09 -4.86 116.66 111.95 2jey n ARG 107 Ca 0.07 0.42 -0.41 0.00 -0.77 0.00 0.00 57.85 57.15 2jey n ARG 107 Cb 0.54 -2.23 -0.00 0.00 -1.02 0.00 0.00 32.46 29.75 2jey n ARG 107 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2jey n PRO 108 N -0.86 2.64 0.40 5.56 -0.04 -1.26 -4.93 135.00 136.52 2jey n PRO 108 Ca 0.12 0.93 -0.19 0.00 -0.04 0.00 0.00 63.50 64.33 2jey n PRO 108 Cb 0.46 -2.66 -0.09 0.00 -0.04 0.00 0.00 33.50 31.17 2jey n PRO 108 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jey h ALA 109 N 3.24 -1.00 -2.66 0.55 0.00 -1.93 -3.44 119.26 114.02 2jey h ALA 109 Ca -0.50 -0.22 -0.57 0.00 0.00 0.00 0.00 54.91 53.62 2jey h ALA 109 Cb 1.24 0.39 -0.04 0.00 0.00 0.00 0.00 17.79 19.39 2jey h ALA 109 CO 0.66 -1.06 -0.25 -1.54 0.00 0.00 0.00 179.25 177.06 2jey s SER 110 N -4.32 6.57 0.03 0.00 1.04 -1.26 -5.04 113.70 110.73 2jey s SER 110 Ca -0.18 0.72 -0.36 0.00 0.48 0.00 0.00 55.95 56.61 2jey s SER 110 Cb 0.03 -2.15 -0.15 0.00 0.10 0.00 0.00 66.02 63.85 2jey s SER 110 CO 0.62 0.06 1.51 -0.81 0.98 0.00 0.00 173.24 175.60 2jey n PRO 111 N 0.30 1.49 -4.79 4.02 -0.04 -1.26 -4.90 135.00 129.82 2jey n PRO 111 Ca -0.04 0.54 -0.33 0.00 -0.04 0.00 0.00 63.50 63.64 2jey n PRO 111 Cb 0.52 -2.24 -0.13 0.00 -0.04 0.00 0.00 33.50 31.61 2jey n PRO 111 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2jey s THR 112 N 1.37 3.19 0.39 0.52 2.01 0.28 -4.69 115.64 118.72 2jey s THR 112 Ca 0.86 -0.65 -0.27 0.00 0.31 0.00 0.00 61.69 61.94 2jey s THR 112 Cb -0.88 -2.30 -0.11 0.00 0.01 0.00 0.00 72.50 69.23 2jey s THR 112 CO 0.48 0.56 1.41 -2.65 -0.69 0.00 0.00 174.62 173.73 2jey n PRO 113 N 2.80 2.37 -3.64 4.92 -0.02 -1.26 0.36 135.00 140.52 2jey n PRO 113 Ca -0.18 0.83 -0.37 0.00 -2.02 0.00 0.00 63.50 61.77 2jey n PRO 113 Cb 0.52 -2.55 -0.07 0.00 -0.02 0.00 0.00 33.50 31.38 2jey n PRO 113 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2jey s VAL 114 N -1.14 5.31 -0.21 -1.45 1.01 0.37 -3.05 120.40 121.23 2jey s VAL 114 Ca 0.56 0.48 -0.07 0.00 0.00 0.00 0.00 61.98 62.96 2jey s VAL 114 Cb -0.49 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.28 2jey s VAL 114 CO 0.61 0.50 0.06 -0.76 0.00 0.00 0.00 175.10 175.51 2jey s LEU 115 N -0.32 3.62 -0.30 3.92 1.43 0.70 -0.09 118.68 127.65 2jey s LEU 115 Ca 0.17 -0.05 -0.06 0.00 -1.03 0.00 0.00 54.13 53.16 2jey s LEU 115 Cb -0.13 -1.93 0.02 0.00 0.03 0.00 0.00 46.19 44.17 2jey s LEU 115 CO 0.05 0.09 0.06 -0.63 0.23 0.00 0.00 176.35 176.16 2jey s ILE 116 N 0.88 3.71 0.03 -0.59 1.01 0.17 0.59 121.20 127.01 2jey s ILE 116 Ca 0.03 -0.89 -0.28 0.00 0.00 0.00 0.00 60.65 59.51 2jey s ILE 116 Cb -0.14 -2.97 -0.04 0.00 0.01 0.00 0.00 42.46 39.32 2jey s ILE 116 CO 0.02 0.02 0.91 0.86 0.00 0.00 0.00 174.94 176.75 2jey s TRP 117 N 1.44 3.71 -0.23 3.97 -0.11 0.14 -0.93 118.94 126.93 2jey s TRP 117 Ca 0.01 1.64 0.01 0.00 1.22 0.00 0.00 56.10 58.98 2jey s TRP 117 Cb -0.18 -3.01 0.04 0.00 -1.50 0.00 0.00 33.47 28.82 2jey s TRP 117 CO 0.01 0.12 -0.14 0.42 -4.62 0.00 0.00 176.95 172.74 2jey s ILE 118 N 0.49 2.26 0.58 5.86 1.01 0.45 -3.72 121.20 128.12 2jey s ILE 118 Ca 0.46 -1.25 -0.18 0.00 0.00 0.00 0.00 60.65 59.69 2jey s ILE 118 Cb -0.21 -2.15 -0.04 0.00 0.01 0.00 0.00 42.46 40.07 2jey s ILE 118 CO 0.27 0.24 1.10 -0.72 0.00 0.00 0.00 174.94 175.83 2jey s TYR 119 N 1.22 2.75 0.00 3.97 -0.85 -1.26 -3.25 117.35 119.92 2jey s TYR 119 Ca -0.02 1.55 0.00 0.00 -0.52 0.00 0.00 57.07 58.08 2jey s TYR 119 Cb -0.17 -3.18 0.00 0.00 0.38 0.00 0.00 41.96 39.00 2jey s TYR 119 CO -0.08 -1.44 0.00 0.41 -1.52 0.00 0.00 175.55 172.92 2jey n GLY 120 N -0.28 -0.15 0.00 5.49 0.00 -1.03 -2.35 105.19 106.87 2jey n GLY 120 Ca 0.10 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.34 2jey n GLY 120 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jey n GLY 121 N 5.00 0.69 2.91 -0.02 0.00 -1.26 -4.17 105.19 108.35 2jey n GLY 121 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2jey n GLY 121 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jey n GLY 122 N 0.00 0.24 3.28 -0.02 0.00 -1.26 -0.89 105.19 106.54 2jey n GLY 122 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2jey n GLY 122 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2jey n PHE 123 N -2.27 0.00 0.43 1.61 3.72 -1.26 -4.75 117.46 114.95 2jey n PHE 123 Ca 0.00 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.45 2jey n PHE 123 Cb 0.22 -0.46 0.02 0.00 -0.94 0.00 0.00 39.48 38.32 2jey n PHE 123 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 176.76 179.19 2jey n TYR 124 N -2.01 0.00 -3.86 1.38 0.18 -0.75 0.41 117.16 112.51 2jey n TYR 124 Ca 0.00 0.00 -0.10 0.00 1.88 0.00 0.00 57.90 59.68 2jey n TYR 124 Cb 0.00 0.00 0.01 0.00 -0.38 0.00 0.00 39.34 38.97 2jey n TYR 124 CO 0.00 0.00 0.00 -1.54 -2.08 0.00 0.00 176.86 173.24 2jey s SER 125 N -1.15 0.16 0.00 9.48 1.04 -0.07 -3.73 113.70 119.43 2jey s SER 125 Ca 0.09 -1.19 0.00 0.00 0.48 0.00 0.00 55.95 55.33 2jey s SER 125 Cb 0.08 0.82 0.00 0.00 0.10 0.00 0.00 66.02 67.02 2jey s SER 125 CO 0.20 -1.61 0.00 0.61 0.98 0.00 0.00 173.24 173.42 2jey n GLY 126 N -0.53 2.59 3.61 7.32 0.00 -1.26 -4.03 105.19 112.89 2jey n GLY 126 Ca -0.07 -1.98 -0.11 0.00 0.00 0.00 0.00 46.02 43.87 2jey n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jey s ALA 127 N -2.76 -1.92 -2.12 4.61 0.00 -1.26 -4.62 121.76 113.69 2jey s ALA 127 Ca 0.00 1.78 0.25 0.00 0.00 0.00 0.00 51.96 53.98 2jey s ALA 127 Cb 0.00 -1.10 1.30 0.00 0.00 0.00 0.00 23.12 23.32 2jey s ALA 127 CO 0.00 -0.28 1.86 0.00 0.00 0.00 0.00 175.76 177.34 2jey n ALA 128 N 1.80 2.62 0.88 0.00 0.00 -1.26 -3.03 120.51 121.51 2jey n ALA 128 Ca -0.13 -0.26 0.10 0.00 0.00 0.00 0.00 53.44 53.15 2jey n ALA 128 Cb 0.56 -1.32 -0.03 0.00 0.00 0.00 0.00 19.45 18.67 2jey n ALA 128 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2jey n SER 129 N -0.53 1.63 -4.64 0.00 3.41 -1.26 -4.71 113.62 107.52 2jey n SER 129 Ca 0.18 -1.32 -0.45 0.00 -0.26 0.00 0.00 58.87 57.03 2jey n SER 129 Cb 0.17 0.60 -0.02 0.00 -0.26 0.00 0.00 64.21 64.69 2jey n SER 129 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2jey n LEU 130 N -0.38 2.60 -0.30 1.04 4.77 -1.17 -4.88 117.00 118.68 2jey n LEU 130 Ca 0.07 1.17 0.21 0.00 -0.03 0.00 0.00 56.01 57.43 2jey n LEU 130 Cb 0.39 -1.37 0.50 0.00 -2.33 0.00 0.00 43.42 40.61 2jey n LEU 130 CO 0.28 -0.87 1.22 0.44 -1.33 0.00 0.00 177.39 177.13 2jey h ASP 131 N 3.02 0.45 0.31 -1.43 3.32 -1.93 0.32 116.42 120.49 2jey h ASP 131 Ca -0.43 0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.69 2jey h ASP 131 Cb 1.31 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.85 2jey h ASP 131 CO 0.67 0.12 0.00 1.33 -1.72 0.00 0.00 179.24 179.65 2jey n VAL 132 N -4.59 0.55 0.68 -1.35 0.24 -1.26 -2.09 118.33 110.51 2jey n VAL 132 Ca 0.23 0.14 0.08 0.00 -2.04 0.00 0.00 64.34 62.75 2jey n VAL 132 Cb 0.81 -0.87 0.06 0.00 -1.47 0.00 0.00 33.84 32.36 2jey n VAL 132 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 2jey n TYR 133 N -1.29 0.00 -1.52 6.34 4.01 0.11 -4.53 117.16 120.28 2jey n TYR 133 Ca 0.07 0.00 -0.48 0.00 -0.16 0.00 0.00 57.90 57.34 2jey n TYR 133 Cb 0.13 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.11 2jey n TYR 133 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 2jey n ASP 134 N 0.81 2.65 -0.36 7.72 2.03 -0.89 -4.82 116.55 123.69 2jey n ASP 134 Ca 0.09 0.37 0.06 0.00 0.52 0.00 0.00 54.79 55.82 2jey n ASP 134 Cb 0.40 -1.38 0.21 0.00 -0.72 0.00 0.00 41.12 39.63 2jey n ASP 134 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2jey n GLY 135 N 6.11 -0.12 0.35 0.27 0.00 -1.26 -4.21 105.19 106.33 2jey n GLY 135 Ca 0.36 -0.25 0.09 0.00 0.00 0.00 0.00 46.02 46.22 2jey n GLY 135 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2jey h ARG 136 N 1.22 0.61 -0.03 1.61 0.11 -1.88 -1.44 114.38 114.57 2jey h ARG 136 Ca 0.00 -0.04 -0.15 0.00 0.10 0.00 0.00 59.98 59.89 2jey h ARG 136 Cb 0.28 -0.14 0.01 0.00 1.11 0.00 0.00 29.97 31.23 2jey h ARG 136 CO 0.00 0.40 -0.57 0.74 0.10 0.00 0.00 179.97 180.64 2jey h PHE 137 N 0.62 0.63 -0.11 4.08 0.04 -1.75 0.40 116.94 120.85 2jey h PHE 137 Ca 0.31 -0.32 -0.07 0.00 2.80 0.00 0.00 57.97 60.68 2jey h PHE 137 Cb 0.39 -0.08 -0.01 0.00 2.20 0.00 0.00 35.95 38.45 2jey h PHE 137 CO -0.00 1.13 -0.27 -0.07 -0.60 0.00 0.00 178.31 178.50 2jey h LEU 138 N -0.05 0.19 0.57 1.54 3.38 -1.66 0.90 115.31 120.18 2jey h LEU 138 Ca -0.06 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 2jey h LEU 138 Cb 1.26 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 41.97 2jey h LEU 138 CO 0.11 0.46 -0.27 0.00 0.09 0.00 0.00 178.44 178.83 2jey h ALA 139 N 1.55 -0.76 0.20 1.53 0.00 -1.12 -1.72 119.26 118.93 2jey h ALA 139 Ca 0.03 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 2jey h ALA 139 Cb 0.57 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.66 2jey h ALA 139 CO 0.04 -0.74 -0.09 0.37 0.00 0.00 0.00 179.25 178.82 2jey h GLN 140 N -1.14 -0.25 0.18 0.00 -0.00 -0.02 0.17 115.11 114.05 2jey h GLN 140 Ca -0.08 0.02 -0.31 0.00 -0.00 0.00 0.00 58.65 58.28 2jey h GLN 140 Cb 0.63 0.06 0.02 0.00 0.00 0.00 0.00 27.48 28.18 2jey h GLN 140 CO 0.13 -0.07 -1.50 0.28 0.00 0.00 0.00 178.83 177.67 2jey h VAL 141 N -0.39 1.11 -0.23 2.39 2.07 0.71 -3.29 116.25 118.62 2jey h VAL 141 Ca -0.03 -2.53 0.00 0.00 0.82 0.00 0.00 66.70 64.96 2jey h VAL 141 Cb 0.30 2.87 0.00 0.00 -1.52 0.00 0.00 31.29 32.94 2jey h VAL 141 CO 0.04 0.80 0.00 -0.62 0.02 0.00 0.00 177.57 177.81 2jey n GLU 142 N -3.77 2.42 -1.80 1.57 -0.58 -0.83 -4.94 120.64 112.71 2jey n GLU 142 Ca -0.22 -2.11 -0.20 0.00 -0.42 0.00 0.00 57.16 54.21 2jey n GLU 142 Cb 1.01 -1.49 -0.07 0.00 -0.57 0.00 0.00 31.44 30.32 2jey n GLU 142 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2jey n GLY 143 N 1.44 1.29 3.84 0.62 0.00 0.58 -4.94 105.19 108.01 2jey n GLY 143 Ca 0.17 -0.05 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 2jey n GLY 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jey s ALA 144 N -2.82 3.36 -0.19 4.61 0.00 -0.71 -4.69 121.76 121.32 2jey s ALA 144 Ca 0.00 0.08 -0.20 0.00 0.00 0.00 0.00 51.96 51.84 2jey s ALA 144 Cb 0.00 -2.78 -0.03 0.00 0.00 0.00 0.00 23.12 20.31 2jey s ALA 144 CO 0.00 0.33 0.59 0.08 0.00 0.00 0.00 175.76 176.77 2jey s VAL 145 N -1.82 5.05 -0.11 0.00 1.01 -1.17 -3.74 120.40 119.62 2jey s VAL 145 Ca 0.50 1.12 0.03 0.00 0.00 0.00 0.00 61.98 63.63 2jey s VAL 145 Cb -0.12 -3.91 0.00 0.00 0.00 0.00 0.00 36.38 32.34 2jey s VAL 145 CO 0.19 0.15 -0.23 -0.22 0.00 0.00 0.00 175.10 174.98 2jey s LEU 146 N 1.73 2.13 -0.10 3.92 0.20 0.17 -0.22 118.68 126.51 2jey s LEU 146 Ca 0.28 -0.56 0.04 0.00 0.69 0.00 0.00 54.13 54.58 2jey s LEU 146 Cb -0.16 -1.43 0.00 0.00 -0.43 0.00 0.00 46.19 44.18 2jey s LEU 146 CO 0.10 0.14 -0.23 -0.69 -0.29 0.00 0.00 176.35 175.39 2jey s VAL 147 N 0.44 1.99 -0.03 1.68 1.01 0.20 0.83 120.40 126.52 2jey s VAL 147 Ca -0.16 -0.97 0.05 0.00 0.00 0.00 0.00 61.98 60.89 2jey s VAL 147 Cb -0.17 -1.73 -0.01 0.00 0.00 0.00 0.00 36.38 34.47 2jey s VAL 147 CO 0.07 0.54 -0.17 -0.94 0.00 0.00 0.00 175.10 174.60 2jey s SER 148 N 0.44 2.06 -0.03 3.32 1.04 0.63 0.27 113.70 121.42 2jey s SER 148 Ca -0.17 -0.33 0.06 0.00 0.48 0.00 0.00 55.95 56.00 2jey s SER 148 Cb -0.17 -0.41 -0.02 0.00 0.10 0.00 0.00 66.02 65.51 2jey s SER 148 CO 0.07 0.18 -0.21 0.00 0.98 0.00 0.00 173.24 174.25 2jey s MET 149 N -0.16 2.27 0.49 4.02 0.23 -1.24 0.14 119.30 125.05 2jey s MET 149 Ca 0.01 -0.84 -0.21 0.00 -1.03 0.00 0.00 55.69 53.62 2jey s MET 149 Cb -0.09 -2.18 -0.07 0.00 -1.53 0.00 0.00 34.83 30.96 2jey s MET 149 CO 0.01 0.58 1.13 -0.80 -2.03 0.00 0.00 175.02 173.91 2jey s ASN 150 N -0.65 6.02 0.05 -1.18 0.01 0.39 -4.58 114.94 115.00 2jey s ASN 150 Ca 0.10 2.20 -0.01 0.00 -0.71 0.00 0.00 52.86 54.45 2jey s ASN 150 Cb -0.10 -2.59 -0.04 0.00 0.41 0.00 0.00 41.25 38.93 2jey s ASN 150 CO -0.00 -1.01 -0.03 -0.72 -1.51 0.00 0.00 177.10 173.82 2jey s TYR 151 N -1.69 0.49 0.04 2.20 1.13 -1.26 -4.44 117.35 113.82 2jey s TYR 151 Ca 0.68 -0.94 -0.30 0.00 -1.41 0.00 0.00 57.07 55.09 2jey s TYR 151 Cb -0.25 -0.35 -0.07 0.00 -1.10 0.00 0.00 41.96 40.18 2jey s TYR 151 CO 0.30 -0.32 1.59 1.03 -2.51 0.00 0.00 175.55 175.63 2jey s ARG 152 N -3.36 4.22 0.47 -3.49 0.52 -1.26 -4.79 118.95 111.26 2jey s ARG 152 Ca 0.02 2.22 0.08 0.00 -0.52 0.00 0.00 55.73 57.54 2jey s ARG 152 Cb 0.04 -3.63 0.03 0.00 0.52 0.00 0.00 34.95 31.91 2jey s ARG 152 CO -0.08 -0.70 0.57 0.14 0.02 0.00 0.00 175.30 175.25 2jey s VAL 153 N 2.71 2.60 0.00 3.52 -7.23 -1.26 -3.98 120.40 116.75 2jey s VAL 153 Ca 0.71 -1.11 0.00 0.00 -1.81 0.00 0.00 61.98 59.77 2jey s VAL 153 Cb -0.37 -2.71 0.00 0.00 0.56 0.00 0.00 36.38 33.86 2jey s VAL 153 CO 0.31 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.71 2jey n GLY 154 N -1.88 0.71 0.19 2.32 0.00 1.37 -2.75 105.19 105.15 2jey n GLY 154 Ca 0.08 -0.76 -0.02 0.00 0.00 0.00 0.00 46.02 45.32 2jey n GLY 154 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2jey h THR 155 N 0.00 0.67 -0.09 2.61 1.35 -1.86 0.27 112.91 115.86 2jey h THR 155 Ca 0.00 -0.06 0.03 0.00 -0.55 0.00 0.00 66.41 65.83 2jey h THR 155 Cb 0.00 0.49 -0.00 0.00 -1.73 0.00 0.00 68.15 66.90 2jey h THR 155 CO 0.00 0.03 0.17 -0.26 -0.25 0.00 0.00 175.52 175.21 2jey h PHE 156 N 0.17 0.00 0.00 4.73 0.04 -1.87 0.22 116.94 120.23 2jey h PHE 156 Ca 0.24 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.01 2jey h PHE 156 Cb 0.35 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.50 2jey h PHE 156 CO -0.27 0.00 -1.10 0.41 -0.60 0.00 0.00 178.31 176.75 2jey n GLY 157 N -1.28 -0.12 0.00 -1.45 0.00 -0.70 -3.82 105.19 97.82 2jey n GLY 157 Ca -0.01 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.90 2jey n GLY 157 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2jey n PHE 158 N -1.60 0.00 -1.80 1.61 3.72 0.86 0.10 117.46 120.35 2jey n PHE 158 Ca -0.01 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.97 2jey n PHE 158 Cb 0.12 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.63 2jey n PHE 158 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 2jey s LEU 159 N -0.01 4.38 -0.01 4.37 0.20 0.67 -4.43 118.68 123.85 2jey s LEU 159 Ca 0.00 2.68 0.02 0.00 0.69 0.00 0.00 54.13 57.52 2jey s LEU 159 Cb 0.00 -3.57 0.00 0.00 -0.43 0.00 0.00 46.19 42.19 2jey s LEU 159 CO 0.00 -0.94 -0.07 0.00 -0.29 0.00 0.00 176.35 175.05 2jey s ALA 160 N 2.27 0.63 -0.65 5.97 0.00 -1.26 -4.03 121.76 124.69 2jey s ALA 160 Ca 0.77 -0.25 -0.05 0.00 0.00 0.00 0.00 51.96 52.43 2jey s ALA 160 Cb -0.45 -0.22 0.17 0.00 0.00 0.00 0.00 23.12 22.62 2jey s ALA 160 CO 0.34 0.11 0.48 -0.51 0.00 0.00 0.00 175.76 176.18 2jey s LEU 161 N 0.08 5.47 0.34 0.00 1.02 0.98 -3.92 118.68 122.66 2jey s LEU 161 Ca -0.01 -2.79 -0.27 0.00 0.02 0.00 0.00 54.13 51.09 2jey s LEU 161 Cb -0.06 -1.91 -0.13 0.00 0.02 0.00 0.00 46.19 44.12 2jey s LEU 161 CO -0.00 -0.41 1.10 -2.65 0.02 0.00 0.00 176.35 174.40 2jey n PRO 162 N 3.62 1.60 0.00 1.29 -0.02 -1.26 -1.33 135.00 138.89 2jey n PRO 162 Ca 0.08 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 2jey n PRO 162 Cb 0.39 -2.05 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 2jey n PRO 162 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jey n GLY 163 N 1.07 2.77 3.62 -1.23 0.00 -1.26 -5.01 105.19 105.15 2jey n GLY 163 Ca 0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 2jey n GLY 163 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2jey s SER 164 N 0.08 2.07 -0.20 1.61 1.04 -0.45 -4.98 113.70 112.87 2jey s SER 164 Ca 0.00 1.25 0.15 0.00 0.48 0.00 0.00 55.95 57.83 2jey s SER 164 Cb 0.00 -1.95 -0.24 0.00 0.10 0.00 0.00 66.02 63.93 2jey s SER 164 CO 0.00 -3.49 0.06 -1.14 0.98 0.00 0.00 173.24 169.65 2jey n ARG 165 N -4.42 0.68 0.00 4.02 0.63 -1.26 -3.95 116.66 112.36 2jey n ARG 165 Ca 0.04 0.04 0.11 0.00 -0.92 0.00 0.00 57.85 57.13 2jey n ARG 165 Cb 0.57 -1.54 0.15 0.00 0.45 0.00 0.00 32.46 32.08 2jey n ARG 165 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 2jey n GLU 166 N -2.86 0.00 -2.78 -0.14 4.71 -1.26 -4.39 120.64 113.91 2jey n GLU 166 Ca -0.34 0.00 -0.08 0.00 -0.01 0.00 0.00 57.16 56.73 2jey n GLU 166 Cb 1.12 -1.50 0.03 0.00 -1.01 0.00 0.00 31.44 30.08 2jey n GLU 166 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2jey n ALA 167 N -1.50 -1.31 1.33 0.62 0.00 -1.26 -4.28 120.51 114.11 2jey n ALA 167 Ca 0.05 -1.42 0.13 0.00 0.00 0.00 0.00 53.44 52.21 2jey n ALA 167 Cb 0.33 -1.35 0.70 0.00 0.00 0.00 0.00 19.45 19.13 2jey n ALA 167 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2jey n PRO 168 N 2.00 0.45 -0.47 0.00 -0.04 -1.25 -0.01 135.00 135.68 2jey n PRO 168 Ca 0.12 0.03 0.06 0.00 -0.04 0.00 0.00 63.50 63.67 2jey n PRO 168 Cb 0.60 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.54 2jey n PRO 168 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2jey n GLY 169 N 0.96 -2.47 2.42 0.55 0.00 -1.26 -4.64 105.19 100.75 2jey n GLY 169 Ca 0.14 -1.35 -0.13 0.00 0.00 0.00 0.00 46.02 44.68 2jey n GLY 169 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2jey n ASN 170 N -2.95 -4.67 0.24 1.61 3.02 -1.26 -4.88 115.26 106.37 2jey n ASN 170 Ca -0.02 0.31 0.15 0.00 -0.03 0.00 0.00 54.58 54.99 2jey n ASN 170 Cb 0.22 -3.29 0.50 0.00 -0.61 0.00 0.00 39.78 36.60 2jey n ASN 170 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 2jey h VAL 171 N 0.00 0.00 -0.56 2.41 -1.51 -1.65 -0.68 116.25 114.26 2jey h VAL 171 Ca -0.26 -0.64 -0.08 0.00 -1.23 0.00 0.00 66.70 64.49 2jey h VAL 171 Cb 0.88 1.62 -0.02 0.00 -2.13 0.00 0.00 31.29 31.63 2jey h VAL 171 CO 0.38 0.00 0.03 1.23 -1.23 0.00 0.00 177.57 177.98 2jey h GLY 172 N 2.76 1.00 1.18 5.19 0.00 -0.53 0.79 103.07 113.47 2jey h GLY 172 Ca 0.00 -0.68 -0.15 0.00 0.00 0.00 0.00 47.33 46.50 2jey h GLY 172 CO 0.00 0.63 -0.34 1.41 0.00 0.00 0.00 176.54 178.24 2jey h LEU 173 N 0.87 0.96 -0.36 3.11 3.38 -1.41 -1.92 115.31 119.94 2jey h LEU 173 Ca 0.17 -0.41 -0.04 0.00 0.09 0.00 0.00 57.88 57.69 2jey h LEU 173 Cb 0.47 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 2jey h LEU 173 CO 0.02 1.20 0.08 -0.07 0.09 0.00 0.00 178.44 179.76 2jey h LEU 174 N 0.76 0.54 -0.70 1.67 3.38 -0.32 0.87 115.31 121.52 2jey h LEU 174 Ca 0.07 -0.24 0.15 0.00 0.09 0.00 0.00 57.88 57.96 2jey h LEU 174 Cb 0.92 -0.14 -0.12 0.00 0.09 0.00 0.00 40.66 41.40 2jey h LEU 174 CO 0.08 0.64 -0.01 0.44 0.09 0.00 0.00 178.44 179.68 2jey h ASP 175 N 0.42 -0.35 0.30 -0.43 3.32 0.63 0.96 116.42 121.28 2jey h ASP 175 Ca 0.11 0.18 -0.01 0.00 0.02 0.00 0.00 57.03 57.33 2jey h ASP 175 Cb 0.31 0.33 0.00 0.00 0.22 0.00 0.00 39.33 40.19 2jey h ASP 175 CO 0.00 -0.16 -0.14 1.56 -1.72 0.00 0.00 179.24 178.78 2jey h GLN 176 N 0.10 -0.39 -0.70 3.56 4.20 -0.21 0.52 115.11 122.19 2jey h GLN 176 Ca 0.37 0.03 0.15 0.00 0.06 0.00 0.00 58.65 59.26 2jey h GLN 176 Cb 0.63 0.09 -0.12 0.00 0.30 0.00 0.00 27.48 28.38 2jey h GLN 176 CO -0.62 -0.19 0.05 -0.09 -0.67 0.00 0.00 178.83 177.31 2jey h ARG 177 N -0.50 0.15 -0.32 1.46 2.43 0.13 0.65 114.38 118.38 2jey h ARG 177 Ca -0.04 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.14 2jey h ARG 177 Cb 0.38 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.86 2jey h ARG 177 CO 0.07 0.10 0.15 1.25 -1.51 0.00 0.00 179.97 180.03 2jey h LEU 178 N 0.15 0.22 -0.60 3.80 5.85 0.17 0.50 115.31 125.40 2jey h LEU 178 Ca 0.38 0.02 0.07 0.00 0.84 0.00 0.00 57.88 59.19 2jey h LEU 178 Cb 0.66 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.60 2jey h LEU 178 CO -0.58 0.16 0.28 0.00 -0.34 0.00 0.00 178.44 177.96 2jey h ALA 179 N 1.17 0.78 -0.50 1.25 0.00 -0.08 0.28 119.26 122.17 2jey h ALA 179 Ca 0.14 0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.13 2jey h ALA 179 Cb 0.06 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 2jey h ALA 179 CO -0.10 -0.10 0.27 -0.07 0.00 0.00 0.00 179.25 179.25 2jey h LEU 180 N 0.50 0.42 0.02 0.00 3.38 0.77 0.25 115.31 120.66 2jey h LEU 180 Ca 0.29 0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.30 2jey h LEU 180 Cb 0.27 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 2jey h LEU 180 CO -0.23 0.29 -0.24 1.56 0.09 0.00 0.00 178.44 179.91 2jey h GLN 181 N 0.54 -0.37 -1.03 1.13 4.20 0.60 -0.87 115.11 119.32 2jey h GLN 181 Ca 0.21 0.03 0.33 0.00 0.06 0.00 0.00 58.65 59.27 2jey h GLN 181 Cb 0.08 0.08 -0.14 0.00 0.30 0.00 0.00 27.48 27.80 2jey h GLN 181 CO -0.12 -0.25 0.60 2.35 -0.67 0.00 0.00 178.83 180.73 2jey h TRP 182 N -0.39 0.89 -0.06 2.96 7.01 0.11 0.15 115.95 126.63 2jey h TRP 182 Ca 0.06 0.04 -0.03 0.00 2.11 0.00 0.00 58.89 61.06 2jey h TRP 182 Cb 0.46 -0.24 -0.00 0.00 -2.10 0.00 0.00 29.16 27.28 2jey h TRP 182 CO -0.27 -0.17 -0.09 0.28 -2.79 0.00 0.00 178.44 175.41 2jey h VAL 183 N 0.31 1.41 -0.75 2.65 2.07 0.77 0.23 116.25 122.95 2jey h VAL 183 Ca 0.73 -1.35 0.07 0.00 0.82 0.00 0.00 66.70 66.98 2jey h VAL 183 Cb 1.73 2.18 -0.10 0.00 -1.52 0.00 0.00 31.29 33.57 2jey h VAL 183 CO -0.58 0.37 -0.57 1.56 0.02 0.00 0.00 177.57 178.37 2jey h GLN 184 N -0.33 -0.16 -0.23 1.57 1.08 -0.14 0.43 115.11 117.33 2jey h GLN 184 Ca 0.00 0.01 -0.05 0.00 -1.45 0.00 0.00 58.65 57.16 2jey h GLN 184 Cb 0.65 0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 28.11 2jey h GLN 184 CO 0.02 -0.11 -0.06 1.49 -0.95 0.00 0.00 178.83 179.22 2jey h GLU 185 N -0.17 0.44 0.00 1.46 4.81 -0.95 -3.38 114.58 116.80 2jey h GLU 185 Ca 0.13 -0.17 -0.05 0.00 -0.13 0.00 0.00 59.36 59.13 2jey h GLU 185 Cb 0.49 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.84 2jey h GLU 185 CO -0.79 0.68 -1.80 0.09 -0.73 0.00 0.00 179.01 176.46 2jey n ASN 186 N -4.58 1.31 0.24 1.04 3.02 0.81 -4.60 115.26 112.49 2jey n ASN 186 Ca -0.04 0.00 0.15 0.00 -0.03 0.00 0.00 54.58 54.65 2jey n ASN 186 Cb 0.29 1.56 0.82 0.00 -0.61 0.00 0.00 39.78 41.85 2jey n ASN 186 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 2jey h ILE 187 N 0.00 0.62 0.00 2.41 6.09 -0.24 0.97 117.51 127.36 2jey h ILE 187 Ca -0.08 0.00 -0.03 0.00 -1.37 0.00 0.00 64.86 63.38 2jey h ILE 187 Cb 0.98 0.93 -0.00 0.00 0.47 0.00 0.00 36.82 39.20 2jey h ILE 187 CO 0.00 0.00 -0.15 0.00 -3.07 0.00 0.00 178.15 174.93 2jey h ALA 188 N 1.91 1.26 -0.00 0.18 0.00 -1.76 0.75 119.26 121.60 2jey h ALA 188 Ca 0.04 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2jey h ALA 188 Cb 0.21 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 2jey h ALA 188 CO -0.00 0.19 0.02 0.00 0.00 0.00 0.00 179.25 179.47 2jey h ALA 189 N 1.85 1.07 -0.01 0.00 0.00 -1.09 0.03 119.26 121.10 2jey h ALA 189 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jey h ALA 189 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2jey h ALA 189 CO 0.02 -0.03 -0.27 1.19 0.00 0.00 0.00 179.25 180.16 2jey n PHE 190 N -3.13 0.00 -0.45 0.00 3.01 0.11 -4.87 117.46 112.13 2jey n PHE 190 Ca -0.03 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.43 2jey n PHE 190 Cb 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.56 2jey n PHE 190 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2jey n GLY 191 N 1.12 0.77 3.80 1.37 0.00 -0.00 -4.24 105.19 108.01 2jey n GLY 191 Ca 0.07 -0.07 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 2jey n GLY 191 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2jey s GLY 192 N -2.06 2.52 -0.43 -0.02 0.00 -0.33 1.00 107.32 108.00 2jey s GLY 192 Ca 0.00 0.52 -0.09 0.00 0.00 0.00 0.00 44.72 45.15 2jey s GLY 192 CO 0.00 0.85 0.27 -0.35 0.00 0.00 0.00 173.10 173.87 2jey s ASP 193 N -1.97 5.66 0.00 1.64 -1.08 0.16 -3.15 116.67 117.93 2jey s ASP 193 Ca 0.62 -1.53 0.04 0.00 -0.52 0.00 0.00 52.55 51.15 2jey s ASP 193 Cb -0.14 -2.00 0.17 0.00 -1.46 0.00 0.00 42.92 39.49 2jey s ASP 193 CO 0.18 -0.56 1.13 -2.65 0.52 0.00 0.00 175.17 173.80 2jey n PRO 194 N 4.93 0.00 -0.04 4.34 -0.02 -1.26 0.08 135.00 143.03 2jey n PRO 194 Ca -0.10 0.43 0.12 0.00 -2.02 0.00 0.00 63.50 61.93 2jey n PRO 194 Cb 0.43 -1.50 0.12 0.00 -0.02 0.00 0.00 33.50 32.53 2jey n PRO 194 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 2jey n MET 195 N -1.50 2.31 -3.42 -0.52 2.81 -1.26 -4.34 117.12 111.20 2jey n MET 195 Ca 0.01 -1.98 -0.27 0.00 -1.81 0.00 0.00 57.70 53.65 2jey n MET 195 Cb 0.05 -1.46 -0.10 0.00 -0.71 0.00 0.00 33.22 31.00 2jey n MET 195 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 2jey n SER 196 N 1.35 -0.09 -4.23 7.83 2.88 0.11 -4.92 113.62 116.56 2jey n SER 196 Ca 0.15 -2.48 -0.34 0.00 -1.33 0.00 0.00 58.87 54.87 2jey n SER 196 Cb 0.59 -0.58 -0.15 0.00 -0.75 0.00 0.00 64.21 63.32 2jey n SER 196 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2jey s VAL 197 N -0.20 2.71 -0.12 2.46 1.01 -1.26 0.14 120.40 125.13 2jey s VAL 197 Ca 0.33 -0.73 -0.02 0.00 0.00 0.00 0.00 61.98 61.56 2jey s VAL 197 Cb 0.04 -2.18 -0.03 0.00 0.00 0.00 0.00 36.38 34.21 2jey s VAL 197 CO -0.19 0.49 -0.04 -0.89 0.00 0.00 0.00 175.10 174.47 2jey s THR 198 N 1.26 3.88 -0.16 3.92 2.01 0.88 0.47 115.64 127.89 2jey s THR 198 Ca 0.03 -0.38 -0.15 0.00 0.31 0.00 0.00 61.69 61.50 2jey s THR 198 Cb -0.14 -2.66 -0.04 0.00 0.01 0.00 0.00 72.50 69.66 2jey s THR 198 CO -0.06 0.53 0.35 -0.76 -0.69 0.00 0.00 174.62 173.99 2jey s LEU 199 N -0.08 4.24 0.13 4.42 1.43 0.17 0.47 118.68 129.45 2jey s LEU 199 Ca 0.02 0.58 0.06 0.00 -1.03 0.00 0.00 54.13 53.76 2jey s LEU 199 Cb -0.13 -2.47 -0.04 0.00 0.03 0.00 0.00 46.19 43.58 2jey s LEU 199 CO 0.03 0.05 -0.15 0.72 0.23 0.00 0.00 176.35 177.22 2jey s PHE 200 N 0.64 1.48 0.15 0.29 -0.71 -0.11 0.19 117.98 119.92 2jey s PHE 200 Ca 0.19 -0.54 -0.24 0.00 -1.04 0.00 0.00 56.93 55.31 2jey s PHE 200 Cb -0.14 -0.77 0.07 0.00 -1.21 0.00 0.00 43.02 40.98 2jey s PHE 200 CO 0.06 0.18 1.03 0.20 -1.34 0.00 0.00 175.22 175.34 2jey s GLY 201 N -2.46 -0.08 0.15 1.99 0.00 -0.98 -0.41 107.32 105.52 2jey s GLY 201 Ca 0.10 -0.05 0.02 0.00 0.00 0.00 0.00 44.72 44.79 2jey s GLY 201 CO 0.04 1.17 -0.02 1.85 0.00 0.00 0.00 173.10 176.14 2jey s GLU 202 N -2.67 1.01 0.82 2.90 -6.30 -1.20 -0.31 118.70 112.94 2jey s GLU 202 Ca 0.17 -1.46 0.00 0.00 -2.50 0.00 0.00 54.97 51.18 2jey s GLU 202 Cb -0.01 -0.24 0.00 0.00 0.00 0.00 0.00 34.13 33.88 2jey s GLU 202 CO 0.03 -0.09 0.00 0.45 0.02 0.00 0.00 175.26 175.67 2jey n SER 203 N -0.17 0.00 -0.12 -1.70 2.88 -0.63 0.46 113.62 114.33 2jey n SER 203 Ca -0.08 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 57.55 2jey n SER 203 Cb 0.62 0.00 0.44 0.00 -0.75 0.00 0.00 64.21 64.52 2jey n SER 203 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jey h ALA 204 N -0.10 1.87 -0.21 -1.46 0.00 -1.85 -1.29 119.26 116.21 2jey h ALA 204 Ca 0.00 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.92 2jey h ALA 204 Cb 0.00 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 2jey h ALA 204 CO 0.00 0.00 0.05 0.78 0.00 0.00 0.00 179.25 180.08 2jey h GLY 205 N 0.56 0.24 0.69 0.00 0.00 0.40 0.58 103.07 105.54 2jey h GLY 205 Ca 0.29 -0.02 0.04 0.00 0.00 0.00 0.00 47.33 47.63 2jey h GLY 205 CO -0.09 0.00 0.05 0.00 0.00 0.00 0.00 176.54 176.50 2jey h ALA 206 N 1.15 0.27 -0.91 3.60 0.00 -0.84 0.59 119.26 123.12 2jey h ALA 206 Ca 0.10 0.05 0.12 0.00 0.00 0.00 0.00 54.91 55.18 2jey h ALA 206 Cb 0.09 0.07 -0.07 0.00 0.00 0.00 0.00 17.79 17.87 2jey h ALA 206 CO -0.12 -0.37 0.58 0.00 0.00 0.00 0.00 179.25 179.35 2jey h ALA 207 N 1.20 1.70 -0.33 0.00 0.00 -0.61 0.46 119.26 121.67 2jey h ALA 207 Ca 0.12 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 2jey h ALA 207 Cb 0.13 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2jey h ALA 207 CO -0.17 0.08 -0.05 0.77 0.00 0.00 0.00 179.25 179.89 2jey h SER 208 N 0.82 0.62 -0.56 0.00 0.02 0.14 0.18 113.55 114.77 2jey h SER 208 Ca 0.44 -0.34 0.11 0.00 -0.84 0.00 0.00 61.79 61.16 2jey h SER 208 Cb 0.56 -0.17 -0.09 0.00 0.14 0.00 0.00 62.40 62.84 2jey h SER 208 CO -0.21 0.82 0.04 0.58 -1.14 0.00 0.00 176.83 176.92 2jey h VAL 209 N 0.41 0.58 -0.45 2.27 2.07 0.28 -0.98 116.25 120.43 2jey h VAL 209 Ca 0.09 -0.05 -0.05 0.00 0.82 0.00 0.00 66.70 67.50 2jey h VAL 209 Cb 0.53 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 2jey h VAL 209 CO 0.03 0.03 0.05 1.23 0.02 0.00 0.00 177.57 178.93 2jey h GLY 210 N 0.16 0.76 2.00 2.17 0.00 0.73 -0.46 103.07 108.42 2jey h GLY 210 Ca 0.29 -0.45 -0.09 0.00 0.00 0.00 0.00 47.33 47.08 2jey h GLY 210 CO -0.45 0.42 -0.44 -0.33 0.00 0.00 0.00 176.54 175.74 2jey h MET 211 N 0.67 0.00 -0.35 4.80 2.86 0.34 0.64 114.93 123.90 2jey h MET 211 Ca 0.14 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.66 2jey h MET 211 Cb 0.34 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.99 2jey h MET 211 CO 0.01 0.44 -0.28 0.45 1.06 0.00 0.00 176.91 178.59 2jey h HIS 212 N 0.00 0.95 -0.65 -0.22 3.86 0.08 0.25 115.15 119.41 2jey h HIS 212 Ca -0.00 -0.27 0.12 0.00 -1.16 0.00 0.00 60.37 59.06 2jey h HIS 212 Cb 1.10 -0.21 -0.09 0.00 1.06 0.00 0.00 27.41 29.28 2jey h HIS 212 CO 0.00 1.04 0.20 0.82 0.86 0.00 0.00 177.93 180.86 2jey h ILE 213 N 0.59 0.67 -0.00 2.45 2.04 -0.43 -2.49 117.51 120.34 2jey h ILE 213 Ca 0.06 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.80 2jey h ILE 213 Cb 0.85 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 37.22 2jey h ILE 213 CO 0.07 0.06 -0.19 0.18 0.00 0.00 0.00 178.15 178.27 2jey n LEU 214 N -5.06 0.41 -4.42 1.44 4.77 0.15 -4.74 117.00 109.55 2jey n LEU 214 Ca 0.11 0.10 -0.36 0.00 -0.03 0.00 0.00 56.01 55.83 2jey n LEU 214 Cb 0.34 -0.27 -0.13 0.00 -2.33 0.00 0.00 43.42 41.04 2jey n LEU 214 CO 0.18 0.08 -0.29 -0.55 -1.33 0.00 0.00 177.39 175.48 2jey s SER 215 N -2.73 5.01 0.12 -1.43 0.15 0.81 -4.75 113.70 110.88 2jey s SER 215 Ca 0.20 -0.29 -0.24 0.00 0.70 0.00 0.00 55.95 56.33 2jey s SER 215 Cb 0.19 -1.89 -0.05 0.00 -1.71 0.00 0.00 66.02 62.56 2jey s SER 215 CO 0.55 -0.05 1.67 -0.07 1.20 0.00 0.00 173.24 176.53 2jey h LEU 216 N 8.22 -0.50 -1.97 3.45 3.38 -1.83 -0.46 115.31 125.60 2jey h LEU 216 Ca -0.38 0.08 0.16 0.00 0.09 0.00 0.00 57.88 57.83 2jey h LEU 216 Cb 1.17 0.22 -0.02 0.00 0.09 0.00 0.00 40.66 42.12 2jey h LEU 216 CO 0.59 -0.22 0.49 -0.65 0.09 0.00 0.00 178.44 178.73 2jey h PRO 217 N -0.25 0.00 0.00 1.13 0.11 -1.94 0.24 132.00 131.29 2jey h PRO 217 Ca 0.07 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.15 2jey h PRO 217 Cb 0.35 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.45 2jey h PRO 217 CO -0.19 0.00 -0.23 0.77 -0.21 0.00 0.00 178.00 178.13 2jey h SER 218 N 0.00 0.00 -0.90 -2.05 0.02 -1.33 -3.37 113.55 105.92 2jey h SER 218 Ca 0.26 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.21 2jey h SER 218 Cb 1.24 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.73 2jey h SER 218 CO -0.00 0.15 0.58 0.03 -1.14 0.00 0.00 176.83 176.45 2jey h ARG 219 N 0.00 1.19 0.00 3.45 2.47 -0.19 -0.18 114.38 121.12 2jey h ARG 219 Ca -0.00 -0.09 0.00 0.00 -1.26 0.00 0.00 59.98 58.63 2jey h ARG 219 Cb 1.12 -0.26 0.00 0.00 -1.65 0.00 0.00 29.97 29.18 2jey h ARG 219 CO 0.02 0.81 0.00 -1.13 0.56 0.00 0.00 179.97 180.23 2jey n SER 220 N -4.44 0.00 -0.13 7.04 3.41 -1.26 -3.37 113.62 114.87 2jey n SER 220 Ca 0.10 -0.86 0.04 0.00 -0.26 0.00 0.00 58.87 57.89 2jey n SER 220 Cb 0.03 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 63.96 2jey n SER 220 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2jey n LEU 221 N -0.65 0.89 -3.79 1.04 4.77 -0.08 -5.00 117.00 114.18 2jey n LEU 221 Ca 0.04 -0.68 -0.09 0.00 -0.03 0.00 0.00 56.01 55.25 2jey n LEU 221 Cb 0.02 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.07 2jey n LEU 221 CO 0.03 0.19 0.30 0.72 -1.33 0.00 0.00 177.39 177.29 2jey s PHE 222 N -1.43 -0.07 0.00 -1.77 -0.71 -1.22 -4.82 117.98 107.96 2jey s PHE 222 Ca 0.06 -0.29 0.00 0.00 -1.04 0.00 0.00 56.93 55.65 2jey s PHE 222 Cb 0.07 0.43 0.00 0.00 -1.21 0.00 0.00 43.02 42.31 2jey s PHE 222 CO 0.26 -0.99 0.00 0.72 -1.34 0.00 0.00 175.22 173.87 2jey n HIS 223 N -0.37 0.00 -3.78 3.49 8.25 0.18 -4.90 115.22 118.08 2jey n HIS 223 Ca -0.08 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.25 2jey n HIS 223 Cb 0.62 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.64 2jey n HIS 223 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2jey s ARG 224 N -1.73 0.62 0.01 -0.41 0.52 -1.15 -4.19 118.95 112.62 2jey s ARG 224 Ca 0.00 -0.19 0.02 0.00 -0.52 0.00 0.00 55.73 55.04 2jey s ARG 224 Cb 0.00 0.27 -0.01 0.00 0.52 0.00 0.00 34.95 35.73 2jey s ARG 224 CO 0.00 -0.16 -0.07 0.00 0.02 0.00 0.00 175.30 175.09 2jey s ALA 225 N -1.25 0.53 -0.10 2.13 0.00 -0.72 -0.65 121.76 121.70 2jey s ALA 225 Ca -0.13 -0.43 0.01 0.00 0.00 0.00 0.00 51.96 51.41 2jey s ALA 225 Cb -0.05 -0.07 0.02 0.00 0.00 0.00 0.00 23.12 23.01 2jey s ALA 225 CO 0.04 0.08 -0.13 0.08 0.00 0.00 0.00 175.76 175.83 2jey s VAL 226 N -0.55 1.31 -0.33 0.00 1.01 0.51 -0.66 120.40 121.70 2jey s VAL 226 Ca -0.02 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 61.45 2jey s VAL 226 Cb -0.05 -1.23 0.08 0.00 0.00 0.00 0.00 36.38 35.18 2jey s VAL 226 CO 0.00 0.41 0.03 -0.76 0.00 0.00 0.00 175.10 174.78 2jey s LEU 227 N 1.15 4.32 -0.32 3.92 1.02 0.72 -2.30 118.68 127.18 2jey s LEU 227 Ca -0.04 -1.69 -0.15 0.00 0.02 0.00 0.00 54.13 52.27 2jey s LEU 227 Cb -0.14 -1.68 -0.02 0.00 0.02 0.00 0.00 46.19 44.36 2jey s LEU 227 CO -0.03 -0.34 0.37 -1.10 0.02 0.00 0.00 176.35 175.28 2jey s GLN 228 N 1.11 3.73 -1.59 1.70 -0.21 0.58 -2.03 119.66 122.94 2jey s GLN 228 Ca 0.01 -0.24 -0.16 0.00 0.02 0.00 0.00 55.36 54.99 2jey s GLN 228 Cb -0.20 -3.75 0.11 0.00 1.00 0.00 0.00 33.01 30.17 2jey s GLN 228 CO -0.04 -0.44 0.93 0.43 -2.12 0.00 0.00 175.29 174.04 2jey n SER 229 N 5.39 -4.37 -3.52 5.90 7.64 0.67 -1.61 113.62 123.72 2jey n SER 229 Ca -0.09 -0.85 -0.13 0.00 1.01 0.00 0.00 58.87 58.81 2jey n SER 229 Cb 0.50 -3.52 -0.04 0.00 -1.01 0.00 0.00 64.21 60.14 2jey n SER 229 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2jey s GLY 230 N -3.29 -0.46 0.00 0.23 0.00 -1.26 -2.84 107.32 99.70 2jey s GLY 230 Ca 0.70 1.35 -0.19 0.00 0.00 0.00 0.00 44.72 46.58 2jey s GLY 230 CO 0.86 0.72 0.41 -0.51 0.00 0.00 0.00 173.10 174.58 2jey s THR 231 N -1.99 0.05 0.23 0.90 -4.23 -1.26 -4.35 115.64 104.98 2jey s THR 231 Ca -0.03 -0.40 0.08 0.00 -1.18 0.00 0.00 61.69 60.16 2jey s THR 231 Cb -0.01 -0.82 -0.07 0.00 1.34 0.00 0.00 72.50 72.94 2jey s THR 231 CO -0.00 -0.22 1.53 1.55 -0.54 0.00 0.00 174.62 176.93 2jey h PRO 232 N 3.37 0.08 -7.65 3.99 0.13 -1.81 -3.39 132.00 126.72 2jey h PRO 232 Ca -0.30 -0.07 -0.47 0.00 -0.87 0.00 0.00 66.00 64.30 2jey h PRO 232 Cb 1.18 0.01 0.11 0.00 0.13 0.00 0.00 31.00 32.44 2jey h PRO 232 CO 0.41 0.75 0.41 0.54 -0.23 0.00 0.00 178.00 179.88 2jey s ASN 233 N -6.85 4.30 0.00 1.44 4.22 -1.26 -4.35 114.94 112.43 2jey s ASN 233 Ca -0.02 0.70 0.00 0.00 -2.14 0.00 0.00 52.86 51.41 2jey s ASN 233 Cb 0.12 -1.13 0.00 0.00 1.28 0.00 0.00 41.25 41.52 2jey s ASN 233 CO 0.79 -2.03 0.00 0.61 -2.04 0.00 0.00 177.10 174.43 2jey n GLY 234 N -3.39 1.88 0.02 0.45 0.00 -1.26 -4.72 105.19 98.17 2jey n GLY 234 Ca 0.09 -2.05 0.14 0.00 0.00 0.00 0.00 46.02 44.20 2jey n GLY 234 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2jey n PRO 235 N 0.85 0.05 -0.04 1.61 -0.04 -1.26 -4.04 135.00 132.13 2jey n PRO 235 Ca 0.00 0.04 -0.03 0.00 -0.04 0.00 0.00 63.50 63.47 2jey n PRO 235 Cb 0.00 -1.55 -0.07 0.00 -0.04 0.00 0.00 33.50 31.84 2jey n PRO 235 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 2jey n TRP 236 N -1.64 0.00 0.16 0.54 4.27 -1.26 -4.72 117.44 114.80 2jey n TRP 236 Ca 0.07 0.00 0.02 0.00 -3.89 0.00 0.00 57.50 53.70 2jey n TRP 236 Cb 0.36 -0.40 0.26 0.00 -1.36 0.00 0.00 31.31 30.17 2jey n TRP 236 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2jey h ALA 237 N 0.51 1.01 -1.73 -1.67 0.00 -1.81 -3.43 119.26 112.15 2jey h ALA 237 Ca -0.20 -0.44 -0.53 0.00 0.00 0.00 0.00 54.91 53.74 2jey h ALA 237 Cb 1.35 -0.08 -0.13 0.00 0.00 0.00 0.00 17.79 18.93 2jey h ALA 237 CO 0.01 0.61 -0.56 0.95 0.00 0.00 0.00 179.25 180.26 2jey s THR 238 N -3.65 0.90 0.10 0.00 -4.23 -1.26 -3.45 115.64 104.06 2jey s THR 238 Ca -0.01 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.53 2jey s THR 238 Cb 0.12 -2.54 -0.04 0.00 1.34 0.00 0.00 72.50 71.38 2jey s THR 238 CO 0.72 0.00 -0.07 0.68 -0.54 0.00 0.00 174.62 175.41 2jey s VAL 239 N -3.23 0.78 1.09 2.29 -7.23 -0.02 -4.95 120.40 109.12 2jey s VAL 239 Ca 0.28 -1.92 -0.12 0.00 -1.81 0.00 0.00 61.98 58.41 2jey s VAL 239 Cb 0.05 -1.67 0.24 0.00 0.56 0.00 0.00 36.38 35.56 2jey s VAL 239 CO 0.14 -0.83 1.06 -0.94 -0.31 0.00 0.00 175.10 174.22 2jey s SER 240 N -3.00 1.70 0.15 4.85 1.04 -1.26 -0.74 113.70 116.44 2jey s SER 240 Ca 0.12 1.48 -0.10 0.00 0.48 0.00 0.00 55.95 57.92 2jey s SER 240 Cb 0.04 -2.20 -0.02 0.00 0.10 0.00 0.00 66.02 63.95 2jey s SER 240 CO -0.04 -3.75 1.50 0.00 0.98 0.00 0.00 173.24 171.94 2jey h ALA 241 N -2.31 0.61 -0.61 5.32 0.00 -1.95 -0.62 119.26 119.70 2jey h ALA 241 Ca -0.58 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 53.88 2jey h ALA 241 Cb 1.32 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 2jey h ALA 241 CO 0.52 0.68 0.31 0.78 0.00 0.00 0.00 179.25 181.54 2jey h GLY 242 N 0.81 0.93 0.52 0.00 0.00 -1.92 0.70 103.07 104.11 2jey h GLY 242 Ca 0.07 -0.45 -0.00 0.00 0.00 0.00 0.00 47.33 46.95 2jey h GLY 242 CO 0.09 0.43 -0.04 -2.09 0.00 0.00 0.00 176.54 174.92 2jey h GLU 243 N 0.83 -0.12 -0.73 4.80 4.57 -1.90 0.23 114.58 122.27 2jey h GLU 243 Ca 0.21 0.01 0.15 0.00 -1.18 0.00 0.00 59.36 58.55 2jey h GLU 243 Cb 0.09 0.03 -0.13 0.00 -0.16 0.00 0.00 28.75 28.57 2jey h GLU 243 CO -0.03 0.32 -0.11 0.00 -1.18 0.00 0.00 179.01 178.00 2jey h ALA 244 N 0.21 0.58 0.14 2.92 0.00 -0.88 0.52 119.26 122.75 2jey h ALA 244 Ca -0.01 0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2jey h ALA 244 Cb 0.49 0.50 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 2jey h ALA 244 CO 0.02 -0.42 -0.13 -0.09 0.00 0.00 0.00 179.25 178.63 2jey h ARG 245 N 0.03 -0.28 -0.75 0.00 2.43 0.81 0.32 114.38 116.94 2jey h ARG 245 Ca 0.37 0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.62 2jey h ARG 245 Cb 0.59 0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 30.15 2jey h ARG 245 CO -0.71 -0.19 0.44 -0.09 -1.51 0.00 0.00 179.97 177.92 2jey h ARG 246 N -0.29 0.79 -0.21 0.20 2.43 0.55 0.78 114.38 118.63 2jey h ARG 246 Ca 0.00 -0.05 -0.17 0.00 -0.81 0.00 0.00 59.98 58.96 2jey h ARG 246 Cb 0.28 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 29.65 2jey h ARG 246 CO -0.03 0.52 -0.55 0.00 -1.51 0.00 0.00 179.97 178.40 2jey h ARG 247 N 0.81 0.62 -0.27 0.20 3.08 0.52 0.14 114.38 119.49 2jey h ARG 247 Ca 0.33 -0.39 -0.11 0.00 0.07 0.00 0.00 59.98 59.88 2jey h ARG 247 Cb 0.19 0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.28 2jey h ARG 247 CO -0.18 1.01 -0.25 0.00 -1.07 0.00 0.00 179.97 179.48 2jey h ALA 248 N 0.91 0.39 -0.51 0.04 0.00 0.28 0.13 119.26 120.50 2jey h ALA 248 Ca 0.01 -0.38 -0.12 0.00 0.00 0.00 0.00 54.91 54.42 2jey h ALA 248 Cb 1.11 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 2jey h ALA 248 CO 0.11 0.37 -0.16 0.00 0.00 0.00 0.00 179.25 179.57 2jey h THR 249 N 0.37 1.27 -0.46 0.00 1.03 0.75 0.17 112.91 116.04 2jey h THR 249 Ca 0.04 -1.32 -0.05 0.00 -0.01 0.00 0.00 66.41 65.08 2jey h THR 249 Cb 0.81 1.06 -0.02 0.00 -1.07 0.00 0.00 68.15 68.93 2jey h THR 249 CO 0.06 0.46 0.10 0.25 -0.01 0.00 0.00 175.52 176.38 2jey h LEU 250 N 0.87 0.71 -0.34 0.00 5.85 -0.65 0.24 115.31 121.99 2jey h LEU 250 Ca 0.12 -0.24 0.03 0.00 0.84 0.00 0.00 57.88 58.63 2jey h LEU 250 Cb 0.73 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.54 2jey h LEU 250 CO 0.06 0.77 0.14 0.25 -0.34 0.00 0.00 178.44 179.32 2jey h LEU 251 N 0.62 0.17 -0.50 2.25 5.85 -0.52 0.18 115.31 123.36 2jey h LEU 251 Ca 0.14 0.03 0.07 0.00 0.84 0.00 0.00 57.88 58.96 2jey h LEU 251 Cb 0.35 0.01 -0.10 0.00 0.37 0.00 0.00 40.66 41.29 2jey h LEU 251 CO 0.00 0.14 -0.48 0.00 -0.34 0.00 0.00 178.44 177.76 2jey h ALA 252 N 1.21 -0.51 -0.62 1.25 0.00 -0.49 -1.09 119.26 119.00 2jey h ALA 252 Ca 0.15 0.06 0.12 0.00 0.00 0.00 0.00 54.91 55.25 2jey h ALA 252 Cb 0.11 1.02 -0.12 0.00 0.00 0.00 0.00 17.79 18.79 2jey h ALA 252 CO -0.14 -0.92 -0.17 0.00 0.00 0.00 0.00 179.25 178.02 2jey h ARG 253 N -0.30 -0.02 0.00 0.00 3.08 0.12 0.18 114.38 117.44 2jey h ARG 253 Ca 0.13 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.18 2jey h ARG 253 Cb 0.58 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.63 2jey h ARG 253 CO -0.64 -0.01 -0.03 -0.07 -1.07 0.00 0.00 179.97 178.15 2jey h LEU 254 N -0.02 0.00 -2.56 3.04 3.38 0.53 0.70 115.31 120.38 2jey h LEU 254 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 2jey h LEU 254 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 2jey h LEU 254 CO -0.64 0.03 0.00 1.33 0.09 0.00 0.00 178.44 179.24 2jey n VAL 255 N -3.21 0.77 -1.56 1.22 0.24 -0.31 -5.04 118.33 110.44 2jey n VAL 255 Ca -0.01 -0.89 -0.00 0.00 -2.04 0.00 0.00 64.34 61.40 2jey n VAL 255 Cb 0.20 0.68 0.00 0.00 -1.47 0.00 0.00 33.84 33.25 2jey n VAL 255 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2jey n GLY 256 N 0.74 -0.52 0.92 7.63 0.00 0.24 -5.05 105.19 109.15 2jey n GLY 256 Ca 0.13 -0.12 -0.04 0.00 0.00 0.00 0.00 46.02 45.99 2jey n GLY 256 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jey n ASN 265 N -1.85 -0.32 0.12 0.00 2.85 -1.26 -4.74 115.26 110.06 2jey n ASN 265 Ca -0.00 1.02 -0.20 0.00 -0.11 0.00 0.00 54.58 55.28 2jey n ASN 265 Cb 0.16 -1.63 -0.14 0.00 1.24 0.00 0.00 39.78 39.41 2jey n ASN 265 CO 0.00 0.00 0.00 0.44 -2.11 0.00 0.00 177.26 175.59 2jey h ASP 266 N 3.14 0.68 0.30 1.20 3.32 -2.00 -3.28 116.42 119.79 2jey h ASP 266 Ca 0.00 -0.70 0.00 0.00 0.02 0.00 0.00 57.03 56.35 2jey h ASP 266 Cb 0.00 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.29 2jey h ASP 266 CO 0.00 1.54 -0.51 0.74 -1.72 0.00 0.00 179.24 179.29 2jey h THR 267 N 0.15 0.02 -0.75 0.35 2.02 -2.00 0.16 112.91 112.86 2jey h THR 267 Ca -0.19 0.00 0.17 0.00 0.77 0.00 0.00 66.41 67.16 2jey h THR 267 Cb 2.02 0.02 -0.13 0.00 -1.74 0.00 0.00 68.15 68.33 2jey h THR 267 CO 0.24 0.00 0.05 -0.33 0.37 0.00 0.00 175.52 175.85 2jey h GLU 268 N -0.87 0.13 0.63 6.66 5.08 -1.98 0.95 114.58 125.18 2jey h GLU 268 Ca -0.03 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 2jey h GLU 268 Cb 0.81 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 30.03 2jey h GLU 268 CO -0.18 0.09 -0.30 1.25 -1.00 0.00 0.00 179.01 178.87 2jey h LEU 269 N 0.14 -0.71 -0.60 1.33 6.46 -1.54 -0.46 115.31 119.93 2jey h LEU 269 Ca 0.42 -0.02 0.02 0.00 -0.12 0.00 0.00 57.88 58.18 2jey h LEU 269 Cb 0.74 0.18 -0.04 0.00 -0.73 0.00 0.00 40.66 40.82 2jey h LEU 269 CO -0.63 -0.42 0.37 0.40 -0.62 0.00 0.00 178.44 177.54 2jey h ILE 270 N -0.99 1.08 -0.67 4.05 2.04 -0.54 0.35 117.51 122.84 2jey h ILE 270 Ca -0.09 -0.25 0.11 0.00 1.00 0.00 0.00 64.86 65.63 2jey h ILE 270 Cb 0.69 0.29 -0.04 0.00 -0.74 0.00 0.00 36.82 37.01 2jey h ILE 270 CO 0.14 0.13 0.45 0.00 0.00 0.00 0.00 178.15 178.88 2jey h ALA 271 N 1.25 2.00 -0.00 1.87 0.00 0.11 0.33 119.26 124.82 2jey h ALA 271 Ca 0.24 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 2jey h ALA 271 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2jey h ALA 271 CO -0.09 -0.15 -0.05 0.00 0.00 0.00 0.00 179.25 178.95 2jey h LEU 273 N -0.67 0.57 -0.13 0.00 3.38 0.91 0.86 115.31 120.23 2jey h LEU 273 Ca -0.01 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2jey h LEU 273 Cb 0.78 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.55 2jey h LEU 273 CO 0.01 0.11 0.00 0.54 0.09 0.00 0.00 178.44 179.19 2jey n ARG 274 N -4.75 0.07 0.05 1.13 1.74 0.99 -1.77 116.66 114.13 2jey n ARG 274 Ca 0.26 0.21 0.11 0.00 -0.77 0.00 0.00 57.85 57.66 2jey n ARG 274 Cb 0.79 -1.61 -0.02 0.00 -1.02 0.00 0.00 32.46 30.60 2jey n ARG 274 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2jey n THR 275 N -1.75 0.34 -2.29 0.55 -2.24 0.29 -4.90 114.28 104.28 2jey n THR 275 Ca 0.05 -0.43 -0.39 0.00 -2.27 0.00 0.00 64.05 61.01 2jey n THR 275 Cb 0.27 -0.09 -0.02 0.00 -2.10 0.00 0.00 70.33 68.39 2jey n THR 275 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2jey s ARG 276 N -3.34 4.18 0.38 -0.78 1.81 -0.73 -4.98 118.95 115.50 2jey s ARG 276 Ca -0.01 1.89 -0.27 0.00 -1.72 0.00 0.00 55.73 55.63 2jey s ARG 276 Cb 0.12 -2.80 -0.09 0.00 -0.45 0.00 0.00 34.95 31.73 2jey s ARG 276 CO 0.82 -0.22 1.29 -2.14 -0.68 0.00 0.00 175.30 174.36 2jey s PRO 277 N -2.11 4.10 0.26 3.54 0.02 -1.26 -4.91 135.00 134.64 2jey s PRO 277 Ca 0.54 2.15 -0.10 0.00 0.02 0.00 0.00 61.00 63.61 2jey s PRO 277 Cb -0.32 -2.85 0.41 0.00 0.02 0.00 0.00 34.50 31.76 2jey s PRO 277 CO 0.41 -0.38 1.57 0.00 -0.33 0.00 0.00 177.00 178.27 2jey h ALA 278 N 2.89 0.58 -0.87 -1.55 0.00 -1.94 -0.15 119.26 118.23 2jey h ALA 278 Ca -0.49 0.36 0.05 0.00 0.00 0.00 0.00 54.91 54.82 2jey h ALA 278 Cb 1.24 0.73 -0.06 0.00 0.00 0.00 0.00 17.79 19.70 2jey h ALA 278 CO 0.63 -0.40 0.56 0.37 0.00 0.00 0.00 179.25 180.41 2jey h GLN 279 N -0.00 1.02 -0.97 0.00 5.75 -1.99 -0.41 115.11 118.50 2jey h GLN 279 Ca 0.44 -0.06 0.04 0.00 -0.15 0.00 0.00 58.65 58.92 2jey h GLN 279 Cb 0.68 -0.23 -0.06 0.00 1.07 0.00 0.00 27.48 28.94 2jey h GLN 279 CO -0.96 0.67 0.63 -0.44 -2.65 0.00 0.00 178.83 176.09 2jey h ASP 280 N 1.05 1.05 -0.23 -0.69 5.19 -1.39 0.64 116.42 122.03 2jey h ASP 280 Ca 0.36 -0.01 -0.11 0.00 -0.62 0.00 0.00 57.03 56.65 2jey h ASP 280 Cb 0.08 -0.23 -0.00 0.00 0.18 0.00 0.00 39.33 39.35 2jey h ASP 280 CO -0.14 0.71 -0.30 -0.07 -3.12 0.00 0.00 179.24 176.32 2jey h LEU 281 N 1.21 0.67 0.55 1.55 3.38 -0.93 -2.68 115.31 119.06 2jey h LEU 281 Ca 0.39 -0.50 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 2jey h LEU 281 Cb 0.03 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.60 2jey h LEU 281 CO -0.13 1.03 -0.29 0.58 0.09 0.00 0.00 178.44 179.73 2jey h VAL 282 N 0.32 0.42 -1.25 1.22 2.07 -0.38 0.12 116.25 118.75 2jey h VAL 282 Ca 0.03 0.00 0.36 0.00 0.82 0.00 0.00 66.70 67.91 2jey h VAL 282 Cb 0.87 0.42 -0.05 0.00 -1.52 0.00 0.00 31.29 31.01 2jey h VAL 282 CO 0.07 0.00 1.14 0.44 0.02 0.00 0.00 177.57 179.24 2jey h ASP 283 N -0.77 0.00 -0.00 0.57 5.19 0.39 0.42 116.42 122.22 2jey h ASP 283 Ca -0.07 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.34 2jey h ASP 283 Cb 0.60 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.11 2jey h ASP 283 CO 0.11 0.00 -0.15 1.41 -3.12 0.00 0.00 179.24 177.49 2jey n HIS 284 N -3.62 0.00 -0.34 4.55 8.25 -0.60 -4.69 115.22 118.77 2jey n HIS 284 Ca 0.28 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.76 2jey n HIS 284 Cb 1.52 0.00 0.20 0.00 1.12 0.00 0.00 29.99 32.83 2jey n HIS 284 CO 0.00 0.00 0.00 1.05 0.64 0.00 0.00 176.34 178.03 2jey h GLU 285 N 0.77 1.10 0.00 -0.41 4.11 0.15 -1.79 114.58 118.51 2jey h GLU 285 Ca 0.00 -0.07 -0.19 0.00 0.07 0.00 0.00 59.36 59.18 2jey h GLU 285 Cb 0.24 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 2jey h GLU 285 CO 0.00 0.73 -0.88 2.35 0.07 0.00 0.00 179.01 181.28 2jey h TRP 286 N 1.14 0.01 0.00 2.06 7.01 -1.84 -2.94 115.95 121.39 2jey h TRP 286 Ca 0.41 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.40 2jey h TRP 286 Cb 0.15 -0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.21 2jey h TRP 286 CO -0.00 0.88 0.26 0.45 -2.79 0.00 0.00 178.44 177.24 2jey h HIS 287 N 0.00 0.00 -0.17 2.65 -0.00 -1.61 -3.13 115.15 112.90 2jey h HIS 287 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.36 2jey h HIS 287 Cb 1.56 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.97 2jey h HIS 287 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 177.93 179.26 2jey n VAL 288 N -2.79 0.29 -2.90 2.45 0.24 -1.11 -4.86 118.33 109.65 2jey n VAL 288 Ca -0.02 -0.24 -0.40 0.00 -2.04 0.00 0.00 64.34 61.63 2jey n VAL 288 Cb 0.30 0.03 -0.05 0.00 -1.47 0.00 0.00 33.84 32.66 2jey n VAL 288 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2jey s LEU 289 N -0.95 4.44 0.54 1.34 1.43 -1.18 -4.81 118.68 119.49 2jey s LEU 289 Ca 0.12 1.53 0.23 0.00 -1.03 0.00 0.00 54.13 54.97 2jey s LEU 289 Cb 0.07 -3.33 1.44 0.00 0.03 0.00 0.00 46.19 44.39 2jey s LEU 289 CO 0.07 -0.04 2.10 1.55 0.23 0.00 0.00 176.35 180.27 2jey h PRO 290 N 5.82 0.00 -4.69 1.29 0.13 -1.94 -3.44 132.00 129.16 2jey h PRO 290 Ca -0.43 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.42 2jey h PRO 290 Cb 1.21 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.19 2jey h PRO 290 CO 0.72 0.00 -0.62 -0.65 -0.23 0.00 0.00 178.00 177.21 2jey s GLN 291 N -4.93 1.24 -0.09 0.86 1.11 -1.26 -5.09 119.66 111.51 2jey s GLN 291 Ca -0.05 -1.65 -0.29 0.00 0.01 0.00 0.00 55.36 53.38 2jey s GLN 291 Cb 0.17 0.04 -0.06 0.00 -1.01 0.00 0.00 33.01 32.15 2jey s GLN 291 CO 0.65 -0.32 1.80 -2.00 0.01 0.00 0.00 175.29 175.43 2jey s GLU 292 N -4.08 3.96 0.07 2.91 2.12 -1.26 -4.96 118.70 117.45 2jey s GLU 292 Ca 0.36 2.17 0.04 0.00 0.36 0.00 0.00 54.97 57.89 2jey s GLU 292 Cb 0.07 -4.09 -0.03 0.00 0.26 0.00 0.00 34.13 30.34 2jey s GLU 292 CO 0.11 -1.12 -0.11 -1.12 -0.54 0.00 0.00 175.26 172.48 2jey s SER 293 N 4.41 1.32 0.25 -1.70 0.01 -1.26 -4.35 113.70 112.38 2jey s SER 293 Ca 0.80 -0.66 0.09 0.00 1.31 0.00 0.00 55.95 57.49 2jey s SER 293 Cb -0.34 0.00 -0.04 0.00 0.21 0.00 0.00 66.02 65.85 2jey s SER 293 CO 0.33 -0.19 0.01 0.27 0.41 0.00 0.00 173.24 174.08 2jey s ILE 294 N -1.72 3.56 -1.29 1.44 -4.36 -1.06 -4.69 121.20 113.08 2jey s ILE 294 Ca -0.02 -1.81 -0.03 0.00 -0.26 0.00 0.00 60.65 58.53 2jey s ILE 294 Cb -0.07 -2.89 0.02 0.00 1.25 0.00 0.00 42.46 40.77 2jey s ILE 294 CO 0.01 -0.34 0.23 0.33 0.24 0.00 0.00 174.94 175.41 2jey n PHE 295 N -0.81 -1.56 -4.94 1.37 -0.00 -1.26 -4.79 117.46 105.48 2jey n PHE 295 Ca -0.07 0.21 -0.27 0.00 -0.00 0.00 0.00 57.45 57.32 2jey n PHE 295 Cb 0.58 -3.26 -0.16 0.00 -0.00 0.00 0.00 39.48 36.64 2jey n PHE 295 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 2jey s ARG 296 N -5.40 1.80 0.04 -4.13 1.81 -1.26 -4.68 118.95 107.13 2jey s ARG 296 Ca 0.15 -0.68 0.05 0.00 -1.72 0.00 0.00 55.73 53.53 2jey s ARG 296 Cb -0.08 -1.62 -0.02 0.00 -0.45 0.00 0.00 34.95 32.78 2jey s ARG 296 CO 0.19 0.33 -0.15 -0.06 -0.68 0.00 0.00 175.30 174.93 2jey s PHE 297 N -0.18 1.31 0.04 -0.53 0.08 -1.26 -4.99 117.98 112.45 2jey s PHE 297 Ca 0.01 -0.36 -0.22 0.00 0.12 0.00 0.00 56.93 56.48 2jey s PHE 297 Cb -0.10 -0.78 -0.14 0.00 -0.57 0.00 0.00 43.02 41.43 2jey s PHE 297 CO 0.01 0.05 1.40 0.77 -0.10 0.00 0.00 175.22 177.35 2jey h SER 298 N 4.88 0.26 -3.67 1.36 0.02 -1.87 -3.39 113.55 111.15 2jey h SER 298 Ca -0.39 -0.40 -0.64 0.00 -0.84 0.00 0.00 61.79 59.52 2jey h SER 298 Cb 1.18 -0.07 -0.39 0.00 0.14 0.00 0.00 62.40 63.26 2jey h SER 298 CO 0.44 0.60 -0.76 -0.36 -1.14 0.00 0.00 176.83 175.61 2jey s PHE 299 N -4.61 3.13 0.29 3.45 0.08 -1.26 -4.98 117.98 114.07 2jey s PHE 299 Ca -0.14 -2.43 0.03 0.00 0.12 0.00 0.00 56.93 54.51 2jey s PHE 299 Cb 0.05 -2.24 -0.06 0.00 -0.57 0.00 0.00 43.02 40.20 2jey s PHE 299 CO 0.72 -0.89 0.07 0.14 -0.10 0.00 0.00 175.22 175.17 2jey s VAL 300 N 1.13 0.93 0.08 -0.44 -7.23 -1.26 -4.41 120.40 109.20 2jey s VAL 300 Ca 0.02 -2.00 -0.35 0.00 -1.81 0.00 0.00 61.98 57.83 2jey s VAL 300 Cb -0.19 -2.70 -0.19 0.00 0.56 0.00 0.00 36.38 33.86 2jey s VAL 300 CO -0.09 -0.02 0.87 -2.65 -0.31 0.00 0.00 175.10 172.90 2jey n PRO 301 N -0.58 0.04 -3.85 4.82 -0.02 -1.22 -4.62 135.00 129.57 2jey n PRO 301 Ca -0.01 0.01 -0.36 0.00 -2.02 0.00 0.00 63.50 61.12 2jey n PRO 301 Cb 0.66 -1.33 -0.07 0.00 -0.02 0.00 0.00 33.50 32.75 2jey n PRO 301 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2jey s VAL 302 N -0.38 5.45 -0.73 -1.45 0.11 -1.26 -0.84 120.40 121.30 2jey s VAL 302 Ca 0.80 0.19 -0.26 0.00 -2.93 0.00 0.00 61.98 59.79 2jey s VAL 302 Cb -1.13 -3.40 -0.05 0.00 -1.53 0.00 0.00 36.38 30.27 2jey s VAL 302 CO 0.56 0.57 2.03 -0.69 -3.33 0.00 0.00 175.10 174.24 2jey s VAL 303 N -0.64 3.31 -1.19 2.04 1.01 0.08 -4.58 120.40 120.42 2jey s VAL 303 Ca 0.13 -0.06 0.23 0.00 0.00 0.00 0.00 61.98 62.28 2jey s VAL 303 Cb -0.12 -3.74 -0.08 0.00 0.00 0.00 0.00 36.38 32.44 2jey s VAL 303 CO 0.02 -0.71 1.16 -0.90 0.00 0.00 0.00 175.10 174.67 2jey n ASP 304 N 14.31 0.96 -3.00 3.32 5.68 -1.24 -3.76 116.55 132.81 2jey n ASP 304 Ca 0.33 -0.80 -0.22 0.00 -0.50 0.00 0.00 54.79 53.60 2jey n ASP 304 Cb 0.49 0.60 0.04 0.00 -1.14 0.00 0.00 41.12 41.12 2jey n ASP 304 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2jey n GLY 305 N 1.48 -0.51 0.00 6.12 0.00 0.27 -4.83 105.19 107.71 2jey n GLY 305 Ca 0.06 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.21 2jey n GLY 305 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2jey n ASP 306 N -2.50 0.00 0.06 1.61 2.03 -1.26 -4.76 116.55 111.73 2jey n ASP 306 Ca -0.11 0.00 -0.11 0.00 0.52 0.00 0.00 54.79 55.09 2jey n ASP 306 Cb 0.62 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.97 2jey n ASP 306 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 2jey h PHE 307 N 0.00 -0.50 -3.54 -0.67 3.04 -1.90 -3.30 116.94 110.08 2jey h PHE 307 Ca 0.00 0.02 -0.71 0.00 3.98 0.00 0.00 57.97 61.25 2jey h PHE 307 Cb 0.00 0.22 -0.25 0.00 2.56 0.00 0.00 35.95 38.48 2jey h PHE 307 CO 0.00 -0.27 -0.49 -0.51 -2.02 0.00 0.00 178.31 175.01 2jey s LEU 308 N -10.34 4.88 0.39 0.59 1.43 -1.26 -4.46 118.68 109.90 2jey s LEU 308 Ca -0.15 -1.15 0.06 0.00 -1.03 0.00 0.00 54.13 51.86 2jey s LEU 308 Cb 0.09 -2.02 0.79 0.00 0.03 0.00 0.00 46.19 45.08 2jey s LEU 308 CO 0.66 -0.44 2.01 0.77 0.23 0.00 0.00 176.35 179.58 2jey h SER 309 N 8.44 0.58 -3.04 2.29 4.64 -1.85 0.78 113.55 125.39 2jey h SER 309 Ca -0.25 -0.01 -0.17 0.00 -0.47 0.00 0.00 61.79 60.90 2jey h SER 309 Cb 1.10 -0.13 -0.04 0.00 -0.31 0.00 0.00 62.40 63.01 2jey h SER 309 CO 0.70 0.40 -0.08 -0.67 -0.87 0.00 0.00 176.83 176.31 2jey n ASP 310 N -4.47 -0.89 -4.78 4.97 -0.08 -1.26 -4.21 116.55 105.84 2jey n ASP 310 Ca 0.07 -2.17 -0.41 0.00 -1.51 0.00 0.00 54.79 50.76 2jey n ASP 310 Cb 0.14 1.64 -0.01 0.00 2.34 0.00 0.00 41.12 45.23 2jey n ASP 310 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 2jey s THR 311 N -2.66 2.19 0.41 5.18 -4.23 -1.26 -4.78 115.64 110.50 2jey s THR 311 Ca 0.18 0.19 0.22 0.00 -1.18 0.00 0.00 61.69 61.10 2jey s THR 311 Cb -0.01 -3.12 0.42 0.00 1.34 0.00 0.00 72.50 71.13 2jey s THR 311 CO 0.13 0.05 1.73 -0.65 -0.54 0.00 0.00 174.62 175.34 2jey h PRO 312 N 3.10 0.29 -0.08 3.99 0.11 -1.97 0.12 132.00 137.56 2jey h PRO 312 Ca -0.50 -0.02 0.04 0.00 0.11 0.00 0.00 66.00 65.63 2jey h PRO 312 Cb 1.24 -0.06 -0.05 0.00 0.11 0.00 0.00 31.00 32.23 2jey h PRO 312 CO 0.65 0.19 -0.25 1.49 -0.21 0.00 0.00 178.00 179.86 2jey h GLU 313 N 0.30 -0.33 0.22 1.05 4.81 -1.89 0.06 114.58 118.79 2jey h GLU 313 Ca 0.65 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.89 2jey h GLU 313 Cb 1.81 0.08 0.00 0.00 0.63 0.00 0.00 28.75 31.27 2jey h GLU 313 CO -0.32 -0.22 -0.10 0.00 -0.73 0.00 0.00 179.01 177.63 2jey h ALA 314 N 0.55 -0.29 -0.79 2.92 0.00 -1.20 -0.89 119.26 119.56 2jey h ALA 314 Ca 0.09 -0.11 0.11 0.00 0.00 0.00 0.00 54.91 54.99 2jey h ALA 314 Cb 0.47 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.32 2jey h ALA 314 CO -0.28 -0.60 0.52 -0.07 0.00 0.00 0.00 179.25 178.81 2jey h LEU 315 N -0.42 0.62 0.11 0.00 3.38 -0.78 -0.31 115.31 117.91 2jey h LEU 315 Ca -0.03 0.02 -0.27 0.00 0.09 0.00 0.00 57.88 57.69 2jey h LEU 315 Cb 0.32 -0.11 0.03 0.00 0.09 0.00 0.00 40.66 40.99 2jey h LEU 315 CO 0.05 0.36 -1.11 0.16 0.09 0.00 0.00 178.44 177.99 2jey h ILE 316 N 0.68 1.33 -0.61 1.22 3.07 -0.82 -1.78 117.51 120.61 2jey h ILE 316 Ca 0.37 -2.42 0.12 0.00 1.55 0.00 0.00 64.86 64.48 2jey h ILE 316 Cb 0.51 2.76 -0.04 0.00 -0.27 0.00 0.00 36.82 39.79 2jey h ILE 316 CO -0.14 0.73 0.42 0.78 -1.05 0.00 0.00 178.15 178.88 2jey h ASN 317 N 0.14 0.28 0.00 2.16 2.35 0.34 -3.36 115.58 117.49 2jey h ASN 317 Ca -0.17 0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.57 2jey h ASN 317 Cb 1.81 -0.05 -0.00 0.00 0.05 0.00 0.00 38.32 40.13 2jey h ASN 317 CO 0.21 0.16 -1.07 0.35 -1.65 0.00 0.00 177.43 175.43 2jey n THR 318 N -4.45 0.07 -0.70 2.81 -2.24 -0.33 -5.04 114.28 104.40 2jey n THR 318 Ca 0.11 -0.03 -0.32 0.00 -2.27 0.00 0.00 64.05 61.54 2jey n THR 318 Cb 0.46 -0.69 0.16 0.00 -2.10 0.00 0.00 70.33 68.16 2jey n THR 318 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jey n GLY 319 N 3.36 -1.62 3.46 3.38 0.00 -0.67 -5.03 105.19 108.07 2jey n GLY 319 Ca -0.02 -0.80 -0.32 0.00 0.00 0.00 0.00 46.02 44.88 2jey n GLY 319 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2jey s ASP 320 N -2.21 3.89 -0.36 1.61 1.47 -1.26 -4.86 116.67 114.94 2jey s ASP 320 Ca 0.61 -0.31 0.10 0.00 1.18 0.00 0.00 52.55 54.13 2jey s ASP 320 Cb -0.21 -0.72 0.45 0.00 -0.34 0.00 0.00 42.92 42.10 2jey s ASP 320 CO 0.64 0.30 1.09 0.49 0.68 0.00 0.00 175.17 178.37 2jey n PHE 321 N 1.96 2.53 0.13 2.11 3.72 -0.04 -4.89 117.46 122.98 2jey n PHE 321 Ca -0.16 -2.77 -0.10 0.00 -0.05 0.00 0.00 57.45 54.37 2jey n PHE 321 Cb 0.52 -0.22 -0.05 0.00 -0.94 0.00 0.00 39.48 38.79 2jey n PHE 321 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 176.76 178.67 2jey h GLN 322 N 2.61 -0.49 0.00 -1.08 4.20 -1.69 -2.73 115.11 115.92 2jey h GLN 322 Ca 0.17 0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.92 2jey h GLN 322 Cb 1.14 0.11 0.00 0.00 0.30 0.00 0.00 27.48 29.03 2jey h GLN 322 CO 0.68 -0.33 0.00 -3.47 -0.67 0.00 0.00 178.83 175.04 2jey n ASP 323 N -4.04 0.00 -4.54 1.46 2.03 -1.26 -4.68 116.55 105.52 2jey n ASP 323 Ca -0.06 -0.92 -0.35 0.00 0.52 0.00 0.00 54.79 53.98 2jey n ASP 323 Cb 0.24 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 40.53 2jey n ASP 323 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 2jey s LEU 324 N -1.17 3.58 -0.11 -2.67 2.96 -1.05 -4.88 118.68 115.35 2jey s LEU 324 Ca 0.04 -0.06 0.01 0.00 -0.22 0.00 0.00 54.13 53.90 2jey s LEU 324 Cb 0.02 -1.92 -0.02 0.00 0.50 0.00 0.00 46.19 44.77 2jey s LEU 324 CO 0.03 0.09 -0.13 -1.10 -1.32 0.00 0.00 176.35 173.92 2jey s GLN 325 N 0.86 3.12 -0.05 1.98 1.11 -1.26 0.45 119.66 125.87 2jey s GLN 325 Ca 0.03 -0.68 -0.00 0.00 0.01 0.00 0.00 55.36 54.72 2jey s GLN 325 Cb -0.14 -2.56 0.03 0.00 -1.01 0.00 0.00 33.01 29.32 2jey s GLN 325 CO 0.02 0.35 -0.02 0.08 0.01 0.00 0.00 175.29 175.73 2jey s VAL 326 N 0.00 0.40 -0.28 1.09 1.01 0.23 -1.75 120.40 121.10 2jey s VAL 326 Ca -0.04 0.02 -0.10 0.00 0.00 0.00 0.00 61.98 61.86 2jey s VAL 326 Cb -0.14 -0.50 -0.05 0.00 0.00 0.00 0.00 36.38 35.69 2jey s VAL 326 CO 0.04 0.23 0.17 -0.22 0.00 0.00 0.00 175.10 175.32 2jey s LEU 327 N 1.40 3.92 0.15 3.92 2.96 0.16 -0.13 118.68 131.07 2jey s LEU 327 Ca -0.04 -0.05 0.07 0.00 -0.22 0.00 0.00 54.13 53.89 2jey s LEU 327 Cb -0.13 -2.08 -0.04 0.00 0.50 0.00 0.00 46.19 44.43 2jey s LEU 327 CO -0.03 -0.05 -0.17 0.68 -1.32 0.00 0.00 176.35 175.47 2jey s VAL 328 N 1.73 1.62 -0.01 1.68 -7.23 0.13 -0.20 120.40 118.13 2jey s VAL 328 Ca 0.07 -1.83 -0.28 0.00 -1.81 0.00 0.00 61.98 58.13 2jey s VAL 328 Cb -0.16 -1.72 0.09 0.00 0.56 0.00 0.00 36.38 35.16 2jey s VAL 328 CO 0.10 -0.35 1.25 0.61 -0.31 0.00 0.00 175.10 176.40 2jey n GLY 329 N 0.40 0.24 3.21 2.32 0.00 -0.86 -1.74 105.19 108.76 2jey n GLY 329 Ca -0.14 -1.05 -0.12 0.00 0.00 0.00 0.00 46.02 44.70 2jey n GLY 329 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2jey s VAL 330 N -2.02 0.58 0.51 1.61 -7.23 -0.75 -0.24 120.40 112.86 2jey s VAL 330 Ca 0.29 -1.96 0.03 0.00 -1.81 0.00 0.00 61.98 58.54 2jey s VAL 330 Cb -0.01 -2.03 0.02 0.00 0.56 0.00 0.00 36.38 34.93 2jey s VAL 330 CO -0.00 -0.55 0.71 0.68 -0.31 0.00 0.00 175.10 175.63 2jey s VAL 331 N -3.72 2.84 0.30 1.32 -7.23 -1.26 0.66 120.40 113.31 2jey s VAL 331 Ca 0.22 -0.76 -0.02 0.00 -1.81 0.00 0.00 61.98 59.61 2jey s VAL 331 Cb 0.06 -3.03 0.25 0.00 0.56 0.00 0.00 36.38 34.23 2jey s VAL 331 CO 0.02 -0.02 1.96 0.50 -0.31 0.00 0.00 175.10 177.25 2jey h LYS 332 N 0.26 1.07 -2.60 4.82 3.64 -0.90 -3.35 116.57 119.51 2jey h LYS 332 Ca -0.42 -0.07 -0.60 0.00 -1.27 0.00 0.00 60.65 58.29 2jey h LYS 332 Cb 1.29 -0.24 -0.40 0.00 -0.41 0.00 0.00 32.23 32.47 2jey h LYS 332 CO 0.50 0.72 -0.79 -0.25 -2.27 0.00 0.00 179.45 177.36 2jey n ASP 333 N -4.40 1.41 -0.01 4.20 9.92 0.11 -4.91 116.55 122.88 2jey n ASP 333 Ca 0.09 -2.85 -0.00 0.00 -0.53 0.00 0.00 54.79 51.50 2jey n ASP 333 Cb 0.04 -0.65 0.30 0.00 -0.64 0.00 0.00 41.12 40.16 2jey n ASP 333 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 2jey h GLU 334 N 5.22 0.54 0.01 -1.24 4.39 -1.75 -3.04 114.58 118.71 2jey h GLU 334 Ca 0.20 -0.11 -0.16 0.00 0.34 0.00 0.00 59.36 59.62 2jey h GLU 334 Cb 0.82 -0.08 0.01 0.00 -0.10 0.00 0.00 28.75 29.40 2jey h GLU 334 CO 0.57 0.55 -0.65 0.78 -1.16 0.00 0.00 179.01 179.10 2jey h GLY 335 N 0.83 0.47 -0.39 -3.84 0.00 -1.84 -3.35 103.07 94.95 2jey h GLY 335 Ca 0.11 -0.84 0.11 0.00 0.00 0.00 0.00 47.33 46.71 2jey h GLY 335 CO 0.01 0.74 -0.29 1.48 0.00 0.00 0.00 176.54 178.48 2jey h SER 336 N -0.09 -1.02 -0.79 0.19 4.64 -1.75 -0.55 113.55 114.18 2jey h SER 336 Ca -0.08 0.22 0.18 0.00 -0.47 0.00 0.00 61.79 61.64 2jey h SER 336 Cb 1.36 0.53 -0.14 0.00 -0.31 0.00 0.00 62.40 63.84 2jey h SER 336 CO 0.13 -0.29 -0.02 0.22 -0.87 0.00 0.00 176.83 176.00 2jey h TYR 337 N -0.13 -0.10 0.00 4.77 -0.00 -1.81 0.25 116.97 119.95 2jey h TYR 337 Ca 0.25 0.06 -0.02 0.00 -0.00 0.00 0.00 58.73 59.02 2jey h TYR 337 Cb 0.54 0.17 -0.00 0.00 -0.00 0.00 0.00 36.73 37.43 2jey h TYR 337 CO -0.61 -0.27 -0.08 0.74 -0.00 0.00 0.00 178.16 177.94 2jey h PHE 338 N 0.08 0.00 0.00 -3.82 -1.00 -1.35 -2.98 116.94 107.88 2jey h PHE 338 Ca 0.43 0.00 -0.06 0.00 2.81 0.00 0.00 57.97 61.15 2jey h PHE 338 Cb 0.76 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.31 2jey h PHE 338 CO -0.46 0.08 -0.27 -0.07 -1.61 0.00 0.00 178.31 175.98 2jey h LEU 339 N 0.00 0.00 -0.75 1.54 3.38 -0.46 -2.78 115.31 116.24 2jey h LEU 339 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2jey h LEU 339 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 2jey h LEU 339 CO 0.01 0.27 0.00 1.33 0.09 0.00 0.00 178.44 180.15 2jey n VAL 340 N -3.95 0.16 -1.13 1.22 0.24 -1.12 -2.43 118.33 111.31 2jey n VAL 340 Ca -0.02 -0.24 0.09 0.00 -2.04 0.00 0.00 64.34 62.14 2jey n VAL 340 Cb 0.35 0.15 0.15 0.00 -1.47 0.00 0.00 33.84 33.02 2jey n VAL 340 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 2jey n TYR 341 N -0.02 0.04 0.00 6.34 4.02 -1.05 -4.79 117.16 121.70 2jey n TYR 341 Ca 0.15 -1.05 0.00 0.00 -0.01 0.00 0.00 57.90 56.98 2jey n TYR 341 Cb 0.24 -0.17 0.00 0.00 -0.02 0.00 0.00 39.34 39.39 2jey n TYR 341 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2jey n GLY 342 N -1.37 0.00 3.48 2.72 0.00 -1.25 -4.99 105.19 103.79 2jey n GLY 342 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 2jey n GLY 342 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jey s VAL 343 N 0.00 4.95 0.21 1.61 1.01 -1.02 -4.98 120.40 122.18 2jey s VAL 343 Ca 0.00 -0.28 -0.32 0.00 0.00 0.00 0.00 61.98 61.38 2jey s VAL 343 Cb 0.00 -4.17 -0.12 0.00 0.00 0.00 0.00 36.38 32.09 2jey s VAL 343 CO 0.00 -0.59 1.69 -2.65 0.00 0.00 0.00 175.10 173.55 2jey n PRO 344 N 5.95 2.67 0.00 2.72 -0.02 -1.26 -0.93 135.00 144.12 2jey n PRO 344 Ca -0.06 0.96 0.00 0.00 -2.02 0.00 0.00 63.50 62.39 2jey n PRO 344 Cb 0.47 -2.79 0.00 0.00 -0.02 0.00 0.00 33.50 31.16 2jey n PRO 344 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jey n GLY 345 N 3.75 2.25 3.85 -1.23 0.00 -1.26 -4.87 105.19 107.69 2jey n GLY 345 Ca 0.16 -0.63 -0.36 0.00 0.00 0.00 0.00 46.02 45.19 2jey n GLY 345 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2jey s PHE 346 N -0.33 3.63 0.19 1.61 0.40 -0.11 -4.59 117.98 118.78 2jey s PHE 346 Ca 0.00 0.89 -0.20 0.00 -0.60 0.00 0.00 56.93 57.03 2jey s PHE 346 Cb 0.00 -2.23 0.04 0.00 0.51 0.00 0.00 43.02 41.34 2jey s PHE 346 CO 0.00 0.55 0.57 0.45 0.70 0.00 0.00 175.22 177.49 2jey s SER 347 N -1.53 -0.35 0.04 1.36 0.15 -1.26 -4.71 113.70 107.40 2jey s SER 347 Ca 0.31 -0.35 0.27 0.00 0.70 0.00 0.00 55.95 56.87 2jey s SER 347 Cb -0.15 0.60 0.85 0.00 -1.71 0.00 0.00 66.02 65.61 2jey s SER 347 CO 0.17 -1.06 1.68 2.29 1.20 0.00 0.00 173.24 177.51 2jey n LYS 348 N -0.36 0.07 0.00 5.44 2.85 -1.26 -4.23 118.16 120.67 2jey n LYS 348 Ca -0.11 0.04 0.08 0.00 -1.05 0.00 0.00 58.31 57.27 2jey n LYS 348 Cb 0.63 -1.57 -0.10 0.00 -0.65 0.00 0.00 35.03 33.34 2jey n LYS 348 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2jey n ASP 349 N -1.69 0.86 -1.93 -5.58 8.00 -1.26 -4.35 116.55 110.60 2jey n ASP 349 Ca 0.06 -0.93 -0.04 0.00 0.71 0.00 0.00 54.79 54.58 2jey n ASP 349 Cb 0.36 0.99 -0.01 0.00 -0.02 0.00 0.00 41.12 42.44 2jey n ASP 349 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 2jey n ASN 350 N -1.40 1.11 -0.45 -2.24 0.23 -1.26 -5.02 115.26 106.22 2jey n ASN 350 Ca 0.03 -1.37 0.11 0.00 -0.53 0.00 0.00 54.58 52.83 2jey n ASN 350 Cb 0.28 0.17 0.46 0.00 -2.08 0.00 0.00 39.78 38.60 2jey n ASN 350 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 2jey n GLU 351 N -0.16 1.60 -3.90 -3.83 -0.58 -1.26 -4.75 120.64 107.76 2jey n GLU 351 Ca -0.01 -0.90 -0.26 0.00 -0.42 0.00 0.00 57.16 55.56 2jey n GLU 351 Cb 0.11 -1.41 0.00 0.00 -0.57 0.00 0.00 31.44 29.57 2jey n GLU 351 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 2jey n SER 352 N 0.11 -1.86 -4.61 1.62 7.64 -1.26 -4.86 113.62 110.39 2jey n SER 352 Ca 0.17 -0.90 -0.43 0.00 1.01 0.00 0.00 58.87 58.72 2jey n SER 352 Cb 0.30 -3.51 -0.02 0.00 -1.01 0.00 0.00 64.21 59.97 2jey n SER 352 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2jey s LEU 353 N -6.98 3.76 0.50 -3.43 1.43 -1.26 -4.62 118.68 108.08 2jey s LEU 353 Ca 0.23 0.63 0.08 0.00 -1.03 0.00 0.00 54.13 54.04 2jey s LEU 353 Cb -0.12 -3.52 0.04 0.00 0.03 0.00 0.00 46.19 42.62 2jey s LEU 353 CO 0.86 -1.12 0.57 0.27 0.23 0.00 0.00 176.35 177.16 2jey s ILE 354 N 4.14 2.31 0.22 -0.59 -4.36 -1.18 -4.96 121.20 116.78 2jey s ILE 354 Ca 0.46 -1.19 0.05 0.00 -0.26 0.00 0.00 60.65 59.71 2jey s ILE 354 Cb -0.09 -2.50 -0.03 0.00 1.25 0.00 0.00 42.46 41.09 2jey s ILE 354 CO 0.26 0.00 0.31 -0.94 0.24 0.00 0.00 174.94 174.81 2jey s SER 355 N -4.40 6.19 0.31 4.36 1.04 -1.26 -3.83 113.70 116.11 2jey s SER 355 Ca 0.51 0.04 0.06 0.00 0.48 0.00 0.00 55.95 57.04 2jey s SER 355 Cb -0.05 -1.79 0.71 0.00 0.10 0.00 0.00 66.02 64.99 2jey s SER 355 CO 0.31 -0.03 1.80 -0.09 0.98 0.00 0.00 173.24 176.21 2jey h ARG 356 N 1.46 0.78 0.45 4.02 2.43 -1.84 0.35 114.38 122.03 2jey h ARG 356 Ca -0.51 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 58.61 2jey h ARG 356 Cb 1.22 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 30.58 2jey h ARG 356 CO 0.63 0.52 -0.39 0.00 -1.51 0.00 0.00 179.97 179.21 2jey h ALA 357 N 1.61 -0.89 -0.20 2.80 0.00 -1.97 0.20 119.26 120.81 2jey h ALA 357 Ca 0.54 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 55.36 2jey h ALA 357 Cb 0.79 0.54 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 2jey h ALA 357 CO -0.33 -1.03 0.15 1.96 0.00 0.00 0.00 179.25 180.01 2jey h GLN 358 N -0.84 0.00 0.31 0.00 4.20 -1.17 0.80 115.11 118.42 2jey h GLN 358 Ca -0.04 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.65 2jey h GLN 358 Cb 0.73 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.52 2jey h GLN 358 CO -0.03 0.00 -0.15 0.35 -0.67 0.00 0.00 178.83 178.33 2jey h PHE 359 N 0.00 -0.39 -0.85 2.96 3.04 0.03 -0.84 116.94 120.89 2jey h PHE 359 Ca 0.10 -0.01 0.17 0.00 3.98 0.00 0.00 57.97 62.21 2jey h PHE 359 Cb 0.40 0.13 -0.10 0.00 2.56 0.00 0.00 35.95 38.94 2jey h PHE 359 CO 0.00 -0.07 0.40 -0.07 -2.02 0.00 0.00 178.31 176.55 2jey h LEU 360 N -0.98 0.43 -0.12 0.59 3.38 0.78 0.23 115.31 119.63 2jey h LEU 360 Ca -0.04 0.11 0.01 0.00 0.09 0.00 0.00 57.88 58.05 2jey h LEU 360 Cb 0.49 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 2jey h LEU 360 CO 0.07 0.14 0.06 0.00 0.09 0.00 0.00 178.44 178.80 2jey h ALA 361 N 1.60 0.14 -0.27 1.53 0.00 -0.96 -3.11 119.26 118.19 2jey h ALA 361 Ca 0.49 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.33 2jey h ALA 361 Cb 0.78 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 2jey h ALA 361 CO -0.42 -0.39 -0.13 0.78 0.00 0.00 0.00 179.25 179.09 2jey h GLY 362 N 0.13 0.49 1.39 0.00 0.00 0.82 -1.69 103.07 104.22 2jey h GLY 362 Ca 0.05 -0.34 -0.02 0.00 0.00 0.00 0.00 47.33 47.02 2jey h GLY 362 CO -0.03 0.31 0.28 -2.08 0.00 0.00 0.00 176.54 175.02 2jey h VAL 363 N 0.42 1.19 -0.24 4.60 2.07 -0.68 1.29 116.25 124.90 2jey h VAL 363 Ca 0.08 -0.52 -0.16 0.00 0.82 0.00 0.00 66.70 66.91 2jey h VAL 363 Cb 0.49 0.46 -0.00 0.00 -1.52 0.00 0.00 31.29 30.71 2jey h VAL 363 CO 0.03 0.22 -0.51 0.03 0.02 0.00 0.00 177.57 177.35 2jey h ARG 364 N 0.80 0.68 -0.12 1.57 2.47 -1.26 0.49 114.38 119.00 2jey h ARG 364 Ca 0.20 -0.41 -0.09 0.00 -1.26 0.00 0.00 59.98 58.42 2jey h ARG 364 Cb 0.08 0.04 0.00 0.00 -1.65 0.00 0.00 29.97 28.44 2jey h ARG 364 CO -0.03 1.02 -0.27 0.82 0.56 0.00 0.00 179.97 182.07 2jey h ILE 365 N 0.53 1.38 -0.64 2.04 2.04 -0.84 -2.21 117.51 119.81 2jey h ILE 365 Ca 0.02 -1.56 -0.07 0.00 1.00 0.00 0.00 64.86 64.25 2jey h ILE 365 Cb 1.07 2.08 -0.03 0.00 -0.74 0.00 0.00 36.82 39.21 2jey h ILE 365 CO 0.10 0.46 0.13 1.23 0.00 0.00 0.00 178.15 180.08 2jey h GLY 366 N -0.02 1.10 -6.20 5.37 0.00 0.17 -2.81 103.07 100.68 2jey h GLY 366 Ca 0.00 -0.69 -0.61 0.00 0.00 0.00 0.00 47.33 46.03 2jey h GLY 366 CO 0.06 0.64 -0.52 -0.62 0.00 0.00 0.00 176.54 176.11 2jey n VAL 367 N -4.23 2.56 0.27 4.60 0.31 0.17 -4.76 118.33 117.24 2jey n VAL 367 Ca 0.05 -5.28 0.11 0.00 -0.01 0.00 0.00 64.34 59.20 2jey n VAL 367 Cb 0.26 -2.08 0.73 0.00 -0.91 0.00 0.00 33.84 31.84 2jey n VAL 367 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 2jey h PRO 368 N 4.20 0.00 0.00 5.55 0.13 -1.44 -1.26 132.00 139.18 2jey h PRO 368 Ca 0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 2jey h PRO 368 Cb 0.65 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.78 2jey h PRO 368 CO 0.87 0.06 0.00 1.04 -0.23 0.00 0.00 178.00 179.73 2jey n GLN 369 N -4.10 0.89 -3.00 0.86 3.00 -1.26 -4.83 117.38 108.94 2jey n GLN 369 Ca -0.03 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.57 2jey n GLN 369 Cb 0.14 -1.50 -0.05 0.00 0.00 0.00 0.00 30.24 28.84 2jey n GLN 369 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2jey s ALA 370 N -2.06 3.34 0.97 -1.58 0.00 -0.48 -5.04 121.76 116.92 2jey s ALA 370 Ca 0.44 0.22 -0.12 0.00 0.00 0.00 0.00 51.96 52.50 2jey s ALA 370 Cb 0.21 -2.99 0.17 0.00 0.00 0.00 0.00 23.12 20.51 2jey s ALA 370 CO 0.36 -0.04 1.08 -1.54 0.00 0.00 0.00 175.76 175.63 2jey s SER 371 N 0.45 2.73 0.20 0.00 1.04 -1.26 -4.72 113.70 112.15 2jey s SER 371 Ca 0.39 1.47 -0.10 0.00 0.48 0.00 0.00 55.95 58.19 2jey s SER 371 Cb -0.19 -2.15 0.26 0.00 0.10 0.00 0.00 66.02 64.04 2jey s SER 371 CO 0.21 -3.10 1.74 0.44 0.98 0.00 0.00 173.24 173.51 2jey h ASP 372 N -1.87 0.22 -0.29 7.02 5.19 -1.98 0.10 116.42 124.81 2jey h ASP 372 Ca -0.53 0.08 0.02 0.00 -0.62 0.00 0.00 57.03 55.98 2jey h ASP 372 Cb 1.30 0.06 -0.02 0.00 0.18 0.00 0.00 39.33 40.84 2jey h ASP 372 CO 0.53 0.13 0.14 0.25 -3.12 0.00 0.00 179.24 177.18 2jey h LEU 373 N 0.40 0.21 -0.51 1.55 5.85 -1.97 0.36 115.31 121.20 2jey h LEU 373 Ca 0.30 0.01 0.03 0.00 0.84 0.00 0.00 57.88 59.06 2jey h LEU 373 Cb 0.36 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.33 2jey h LEU 373 CO -0.30 0.16 0.29 0.00 -0.34 0.00 0.00 178.44 178.26 2jey h ALA 374 N 1.15 0.65 -0.69 1.25 0.00 -1.71 0.15 119.26 120.06 2jey h ALA 374 Ca 0.12 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 2jey h ALA 374 Cb 0.04 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 2jey h ALA 374 CO -0.09 -0.02 0.24 0.00 0.00 0.00 0.00 179.25 179.39 2jey h ALA 375 N 1.23 1.13 -0.21 0.00 0.00 -0.23 -0.22 119.26 120.96 2jey h ALA 375 Ca 0.21 -0.20 -0.16 0.00 0.00 0.00 0.00 54.91 54.76 2jey h ALA 375 Cb 0.04 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2jey h ALA 375 CO -0.10 0.61 -0.52 0.93 0.00 0.00 0.00 179.25 180.16 2jey h GLU 376 N 1.01 0.61 -0.61 0.00 4.39 0.38 -0.77 114.58 119.58 2jey h GLU 376 Ca 0.23 -0.37 0.00 0.00 0.34 0.00 0.00 59.36 59.56 2jey h GLU 376 Cb 0.24 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.90 2jey h GLU 376 CO -0.01 0.98 0.39 0.00 -1.16 0.00 0.00 179.01 179.21 2jey h ALA 377 N 0.95 0.77 -0.14 3.43 0.00 0.09 0.60 119.26 124.97 2jey h ALA 377 Ca 0.02 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.90 2jey h ALA 377 Cb 1.07 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 2jey h ALA 377 CO 0.10 0.23 -0.05 0.28 0.00 0.00 0.00 179.25 179.81 2jey h VAL 378 N 0.82 0.82 -0.38 0.00 2.07 -0.70 0.34 116.25 119.22 2jey h VAL 378 Ca 0.22 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.63 2jey h VAL 378 Cb -0.06 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 2jey h VAL 378 CO -0.05 0.00 -0.22 0.58 0.02 0.00 0.00 177.57 177.90 2jey h VAL 379 N -0.03 1.27 -0.78 2.57 2.07 -0.72 0.21 116.25 120.84 2jey h VAL 379 Ca 0.07 -1.33 -0.01 0.00 0.82 0.00 0.00 66.70 66.25 2jey h VAL 379 Cb 0.14 1.21 -0.04 0.00 -1.52 0.00 0.00 31.29 31.09 2jey h VAL 379 CO -0.16 0.44 0.43 -0.07 0.02 0.00 0.00 177.57 178.24 2jey h LEU 380 N 0.66 0.97 -0.10 2.57 -0.00 0.86 -0.59 115.31 119.69 2jey h LEU 380 Ca 0.09 -0.09 -0.23 0.00 -0.00 0.00 0.00 57.88 57.65 2jey h LEU 380 Cb 0.73 -0.25 -0.00 0.00 -0.00 0.00 0.00 40.66 41.13 2jey h LEU 380 CO 0.06 0.79 -1.02 -0.74 -0.00 0.00 0.00 178.44 177.52 2jey h HIS 381 N 1.08 0.41 0.00 1.13 2.76 0.61 -3.33 115.15 117.81 2jey h HIS 381 Ca 0.28 -0.25 -0.15 0.00 -2.20 0.00 0.00 60.37 58.04 2jey h HIS 381 Cb 0.03 -0.03 -0.03 0.00 1.55 0.00 0.00 27.41 28.93 2jey h HIS 381 CO 0.00 1.12 -1.51 0.66 -1.30 0.00 0.00 177.93 176.90 2jey n TYR 382 N -3.61 0.80 -1.69 5.26 4.02 -0.03 -4.81 117.16 117.10 2jey n TYR 382 Ca -0.06 0.26 -0.44 0.00 -0.01 0.00 0.00 57.90 57.65 2jey n TYR 382 Cb 0.90 -1.01 -0.03 0.00 -0.02 0.00 0.00 39.34 39.17 2jey n TYR 382 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 176.86 178.26 2jey n THR 383 N -2.79 0.40 -2.70 -0.72 -1.04 -0.24 -4.88 114.28 102.30 2jey n THR 383 Ca -0.10 -0.10 -0.43 0.00 -2.04 0.00 0.00 64.05 61.38 2jey n THR 383 Cb 0.81 -1.65 -0.03 0.00 -1.82 0.00 0.00 70.33 67.63 2jey n THR 383 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2jey s ASP 384 N 0.73 6.51 0.00 8.00 -1.08 -1.26 -4.92 116.67 124.65 2jey s ASP 384 Ca 0.73 0.17 0.23 0.00 -0.52 0.00 0.00 52.55 53.17 2jey s ASP 384 Cb -0.62 -2.50 1.40 0.00 -1.46 0.00 0.00 42.92 39.74 2jey s ASP 384 CO 0.42 -1.22 1.79 0.79 0.52 0.00 0.00 175.17 177.47 2jey n TRP 385 N 7.67 0.00 0.12 -5.34 7.02 -1.26 -0.55 117.44 125.10 2jey n TRP 385 Ca 0.08 0.00 -0.24 0.00 -1.02 0.00 0.00 57.50 56.32 2jey n TRP 385 Cb 0.49 0.00 -0.16 0.00 -2.42 0.00 0.00 31.31 29.22 2jey n TRP 385 CO 0.00 0.00 0.00 -0.07 -2.02 0.00 0.00 177.69 175.60 2jey h LEU 386 N 0.00 0.78 -5.82 -0.99 3.38 -2.03 -3.40 115.31 107.23 2jey h LEU 386 Ca 0.00 -0.93 -0.55 0.00 0.09 0.00 0.00 57.88 56.49 2jey h LEU 386 Cb 0.00 -0.25 -0.41 0.00 0.09 0.00 0.00 40.66 40.09 2jey h LEU 386 CO 0.00 1.74 -0.89 1.41 0.09 0.00 0.00 178.44 180.79 2jey n HIS 387 N -3.68 1.97 0.39 1.13 8.25 0.29 -4.91 115.22 118.65 2jey n HIS 387 Ca -0.20 -3.89 0.14 0.00 -0.26 0.00 0.00 57.72 53.51 2jey n HIS 387 Cb 1.10 -0.46 0.49 0.00 1.12 0.00 0.00 29.99 32.24 2jey n HIS 387 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2jey h PRO 388 N 3.42 0.00 -0.03 -0.41 0.13 -1.62 -2.17 132.00 131.33 2jey h PRO 388 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 2jey h PRO 388 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 2jey h PRO 388 CO 0.66 0.00 -0.04 0.39 -0.23 0.00 0.00 178.00 178.78 2jey n GLU 389 N -2.61 1.88 -2.00 0.86 -0.58 -1.26 -4.72 120.64 112.21 2jey n GLU 389 Ca 0.03 -1.68 -0.43 0.00 -0.42 0.00 0.00 57.16 54.66 2jey n GLU 389 Cb 0.33 -1.40 -0.03 0.00 -0.57 0.00 0.00 31.44 29.77 2jey n GLU 389 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 2jey s ASP 390 N -1.81 6.11 0.36 1.62 2.15 -0.82 -4.61 116.67 119.68 2jey s ASP 390 Ca 0.24 1.56 0.05 0.00 0.43 0.00 0.00 52.55 54.83 2jey s ASP 390 Cb 0.17 -2.53 0.68 0.00 -0.30 0.00 0.00 42.92 40.95 2jey s ASP 390 CO 0.29 -1.49 1.95 -0.65 -0.17 0.00 0.00 175.17 175.10 2jey h PRO 391 N 11.95 0.58 -0.13 4.34 0.11 -1.91 0.83 132.00 147.77 2jey h PRO 391 Ca -0.35 -0.08 -0.04 0.00 0.11 0.00 0.00 66.00 65.64 2jey h PRO 391 Cb 1.17 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 2jey h PRO 391 CO 1.01 0.50 -0.06 1.15 -0.21 0.00 0.00 178.00 180.39 2jey h THR 392 N 0.57 1.31 -0.55 -1.15 2.02 -1.90 -0.39 112.91 112.82 2jey h THR 392 Ca 0.14 -1.07 -0.03 0.00 0.77 0.00 0.00 66.41 66.21 2jey h THR 392 Cb 0.15 1.75 -0.03 0.00 -1.74 0.00 0.00 68.15 68.28 2jey h THR 392 CO -0.01 0.31 0.22 -0.74 0.37 0.00 0.00 175.52 175.67 2jey h HIS 393 N -0.06 0.80 -0.13 3.16 -0.00 -1.62 0.30 115.15 117.60 2jey h HIS 393 Ca 0.03 -0.04 -0.18 0.00 -0.00 0.00 0.00 60.37 60.18 2jey h HIS 393 Cb 0.51 -0.25 0.01 0.00 -0.00 0.00 0.00 27.41 27.68 2jey h HIS 393 CO 0.06 0.62 -0.63 -0.07 -0.00 0.00 0.00 177.93 177.92 2jey h LEU 394 N 0.79 0.78 -0.16 0.26 3.38 -0.61 0.40 115.31 120.16 2jey h LEU 394 Ca 0.19 -0.63 0.04 0.00 0.09 0.00 0.00 57.88 57.57 2jey h LEU 394 Cb 0.16 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 2jey h LEU 394 CO -0.02 1.29 -0.11 -0.09 0.09 0.00 0.00 178.44 179.59 2jey h ARG 395 N 0.33 -0.11 -0.25 1.13 1.12 -0.81 0.37 114.38 116.15 2jey h ARG 395 Ca -0.04 0.01 -0.11 0.00 -1.11 0.00 0.00 59.98 58.73 2jey h ARG 395 Cb 1.26 0.03 -0.01 0.00 -0.01 0.00 0.00 29.97 31.23 2jey h ARG 395 CO 0.13 -0.08 -0.29 -0.44 -3.11 0.00 0.00 179.97 176.18 2jey h ASP 396 N -0.12 0.52 -0.56 -3.80 3.32 -0.71 -0.99 116.42 114.08 2jey h ASP 396 Ca 0.10 -0.19 -0.02 0.00 0.02 0.00 0.00 57.03 56.94 2jey h ASP 396 Cb 0.26 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.64 2jey h ASP 396 CO -0.23 0.79 0.28 0.00 -1.72 0.00 0.00 179.24 178.36 2jey h ALA 397 N 1.25 0.72 -0.58 3.45 0.00 0.18 0.27 119.26 124.55 2jey h ALA 397 Ca 0.06 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2jey h ALA 397 Cb 0.74 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 2jey h ALA 397 CO 0.06 0.28 0.31 1.98 0.00 0.00 0.00 179.25 181.87 2jey h MET 398 N 0.76 0.81 0.24 0.00 1.85 0.39 0.67 114.93 119.64 2jey h MET 398 Ca 0.19 -0.10 0.01 0.00 -0.61 0.00 0.00 59.70 59.19 2jey h MET 398 Cb 0.11 -0.16 -0.03 0.00 0.43 0.00 0.00 31.60 31.95 2jey h MET 398 CO -0.03 0.63 -0.37 1.03 -0.40 0.00 0.00 176.91 177.78 2jey h SER 399 N 0.78 -1.05 -0.55 1.39 0.87 -1.02 -2.02 113.55 111.95 2jey h SER 399 Ca 0.20 0.11 0.08 0.00 -1.23 0.00 0.00 61.79 60.95 2jey h SER 399 Cb 0.06 0.38 -0.07 0.00 -0.44 0.00 0.00 62.40 62.34 2jey h SER 399 CO -0.03 -0.48 0.19 0.00 -0.53 0.00 0.00 176.83 175.97 2jey h ALA 400 N -0.18 0.68 0.01 6.23 0.00 0.03 0.22 119.26 126.25 2jey h ALA 400 Ca 0.00 0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.01 2jey h ALA 400 Cb 0.66 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 2jey h ALA 400 CO -0.15 -0.22 -0.14 0.28 0.00 0.00 0.00 179.25 179.03 2jey h VAL 401 N 0.36 0.67 -0.60 0.00 2.07 0.52 0.78 116.25 120.04 2jey h VAL 401 Ca 0.27 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.69 2jey h VAL 401 Cb 0.32 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 2jey h VAL 401 CO -0.28 0.00 -0.02 0.58 0.02 0.00 0.00 177.57 177.87 2jey h VAL 402 N -0.23 1.27 -0.17 2.57 2.07 -0.65 0.73 116.25 121.83 2jey h VAL 402 Ca 0.04 -1.18 -0.13 0.00 0.82 0.00 0.00 66.70 66.26 2jey h VAL 402 Cb 0.29 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 2jey h VAL 402 CO -0.13 0.43 -0.41 1.23 0.02 0.00 0.00 177.57 178.71 2jey h GLY 403 N 0.98 0.63 0.97 2.17 0.00 -0.29 -2.29 103.07 105.25 2jey h GLY 403 Ca 0.17 -0.78 -0.06 0.00 0.00 0.00 0.00 47.33 46.66 2jey h GLY 403 CO 0.03 0.70 0.06 -0.55 0.00 0.00 0.00 176.54 176.79 2jey h ASP 404 N 0.23 0.73 -0.13 0.19 5.19 0.75 0.22 116.42 123.60 2jey h ASP 404 Ca -0.00 -0.27 -0.17 0.00 -0.62 0.00 0.00 57.03 55.96 2jey h ASP 404 Cb 1.02 -0.19 -0.00 0.00 0.18 0.00 0.00 39.33 40.34 2jey h ASP 404 CO 0.09 0.82 -0.55 -0.74 -3.12 0.00 0.00 179.24 175.73 2jey h HIS 405 N 0.62 0.90 0.00 4.55 2.76 -0.87 0.18 115.15 123.30 2jey h HIS 405 Ca 0.14 -0.32 -0.08 0.00 -2.20 0.00 0.00 60.37 57.91 2jey h HIS 405 Cb 0.40 -0.17 -0.01 0.00 1.55 0.00 0.00 27.41 29.18 2jey h HIS 405 CO 0.03 1.11 -1.99 0.09 -1.30 0.00 0.00 177.93 175.87 2jey n ASN 406 N -3.98 0.09 0.07 3.26 3.02 -0.86 -4.47 115.26 112.39 2jey n ASN 406 Ca -0.04 0.04 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 2jey n ASN 406 Cb 0.62 1.64 0.00 0.00 -0.61 0.00 0.00 39.78 41.43 2jey n ASN 406 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 2jey n VAL 407 N -2.40 0.54 0.51 2.41 0.31 0.32 -4.70 118.33 115.31 2jey n VAL 407 Ca -0.09 0.18 -0.20 0.00 -0.01 0.00 0.00 64.34 64.21 2jey n VAL 407 Cb 0.69 -0.98 -0.10 0.00 -0.91 0.00 0.00 33.84 32.54 2jey n VAL 407 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 2jey h VAL 408 N 0.00 0.04 -0.84 2.52 2.07 -0.64 -0.24 116.25 119.16 2jey h VAL 408 Ca 0.00 -0.01 0.03 0.00 0.82 0.00 0.00 66.70 67.54 2jey h VAL 408 Cb 0.00 0.05 -0.05 0.00 -1.52 0.00 0.00 31.29 29.77 2jey h VAL 408 CO 0.00 0.00 0.54 0.00 0.02 0.00 0.00 177.57 178.13 2jey h PRO 410 N 1.05 0.96 -0.68 0.00 0.11 -1.69 0.39 132.00 132.15 2jey h PRO 410 Ca 0.33 -0.06 0.03 0.00 0.11 0.00 0.00 66.00 66.42 2jey h PRO 410 Cb 0.00 -0.22 -0.04 0.00 0.11 0.00 0.00 31.00 30.85 2jey h PRO 410 CO -0.11 0.63 0.41 0.28 -0.21 0.00 0.00 178.00 179.00 2jey h VAL 411 N 0.99 1.07 -0.30 3.15 2.07 -0.20 0.62 116.25 123.64 2jey h VAL 411 Ca 0.32 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.57 2jey h VAL 411 Cb 0.02 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 29.97 2jey h VAL 411 CO -0.12 0.15 0.20 0.00 0.02 0.00 0.00 177.57 177.82 2jey h ALA 412 N 1.30 0.38 -0.90 1.67 0.00 -0.23 0.37 119.26 121.85 2jey h ALA 412 Ca 0.28 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 2jey h ALA 412 Cb 0.05 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 2jey h ALA 412 CO -0.12 -0.15 0.50 0.37 0.00 0.00 0.00 179.25 179.85 2jey h GLN 413 N 0.40 1.24 -0.02 0.00 5.75 0.79 0.28 115.11 123.56 2jey h GLN 413 Ca 0.11 -0.14 -0.02 0.00 -0.15 0.00 0.00 58.65 58.46 2jey h GLN 413 Cb -0.04 -0.25 0.00 0.00 1.07 0.00 0.00 27.48 28.26 2jey h GLN 413 CO -0.02 0.90 -0.05 1.25 -2.65 0.00 0.00 178.83 178.26 2jey h LEU 414 N 1.25 0.08 -0.53 -2.39 5.85 0.83 0.23 115.31 120.63 2jey h LEU 414 Ca 0.32 -0.58 -0.03 0.00 0.84 0.00 0.00 57.88 58.43 2jey h LEU 414 Cb 0.01 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 2jey h LEU 414 CO -0.05 0.64 0.20 0.00 -0.34 0.00 0.00 178.44 178.89 2jey h ALA 415 N 0.44 0.68 0.02 1.25 0.00 -0.05 0.18 119.26 121.78 2jey h ALA 415 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2jey h ALA 415 Cb 0.63 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 2jey h ALA 415 CO 0.01 0.31 -0.05 0.78 0.00 0.00 0.00 179.25 180.30 2jey h GLY 416 N 0.71 -1.14 0.83 0.00 0.00 -0.25 0.24 103.07 103.46 2jey h GLY 416 Ca 0.17 0.50 0.05 0.00 0.00 0.00 0.00 47.33 48.05 2jey h GLY 416 CO -0.01 -0.42 0.64 3.21 0.00 0.00 0.00 176.54 179.96 2jey h ARG 417 N -0.07 1.18 0.05 4.80 2.47 -0.39 0.16 114.38 122.58 2jey h ARG 417 Ca -0.00 -0.07 0.01 0.00 -1.26 0.00 0.00 59.98 58.65 2jey h ARG 417 Cb 0.07 -0.27 -0.01 0.00 -1.65 0.00 0.00 29.97 28.11 2jey h ARG 417 CO -0.02 0.78 -0.07 -0.07 0.56 0.00 0.00 179.97 181.15 2jey h LEU 418 N 1.22 -0.20 0.02 3.04 4.07 -0.41 -0.15 115.31 122.90 2jey h LEU 418 Ca 0.40 0.02 0.01 0.00 0.08 0.00 0.00 57.88 58.40 2jey h LEU 418 Cb 0.06 0.08 -0.02 0.00 1.08 0.00 0.00 40.66 41.85 2jey h LEU 418 CO -0.14 -0.11 -0.11 0.00 -1.08 0.00 0.00 178.44 177.00 2jey h ALA 419 N 0.79 -0.14 -0.89 1.53 0.00 0.27 -1.84 119.26 118.97 2jey h ALA 419 Ca 0.01 -0.00 0.25 0.00 0.00 0.00 0.00 54.91 55.17 2jey h ALA 419 Cb 0.16 0.18 -0.15 0.00 0.00 0.00 0.00 17.79 17.99 2jey h ALA 419 CO -0.04 -0.61 0.25 0.00 0.00 0.00 0.00 179.25 178.85 2jey h ALA 420 N 0.76 1.33 -0.82 0.00 0.00 -0.60 0.41 119.26 120.34 2jey h ALA 420 Ca 0.03 0.23 -0.50 0.00 0.00 0.00 0.00 54.91 54.68 2jey h ALA 420 Cb 0.23 0.33 -0.24 0.00 0.00 0.00 0.00 17.79 18.10 2jey h ALA 420 CO -0.09 -0.49 0.64 1.04 0.00 0.00 0.00 179.25 180.34 2jey n GLN 421 N -5.24 2.22 -2.44 0.00 3.00 -0.10 -4.89 117.38 109.93 2jey n GLN 421 Ca 0.22 -2.58 -0.14 0.00 -0.01 0.00 0.00 57.00 54.49 2jey n GLN 421 Cb 0.72 -2.01 0.00 0.00 0.00 0.00 0.00 30.24 28.95 2jey n GLN 421 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2jey n GLY 422 N -0.64 -0.19 3.90 1.08 0.00 0.14 -0.86 105.19 108.63 2jey n GLY 422 Ca 0.50 -0.25 -0.30 0.00 0.00 0.00 0.00 46.02 45.97 2jey n GLY 422 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jey s ALA 423 N -2.80 3.77 -0.34 4.61 0.00 -0.75 -3.28 121.76 122.98 2jey s ALA 423 Ca 0.07 -0.61 -0.20 0.00 0.00 0.00 0.00 51.96 51.23 2jey s ALA 423 Cb -0.03 -2.13 -0.00 0.00 0.00 0.00 0.00 23.12 20.95 2jey s ALA 423 CO 0.09 0.56 0.60 0.50 0.00 0.00 0.00 175.76 177.51 2jey s ARG 424 N -2.92 3.75 -0.17 0.00 3.52 0.17 -4.30 118.95 118.99 2jey s ARG 424 Ca 0.41 0.09 0.01 0.00 -0.13 0.00 0.00 55.73 56.10 2jey s ARG 424 Cb -0.12 -3.78 0.01 0.00 -1.56 0.00 0.00 34.95 29.51 2jey s ARG 424 CO 0.26 -0.65 -0.18 0.08 -0.81 0.00 0.00 175.30 174.00 2jey s VAL 425 N 2.60 2.33 -0.03 7.11 1.01 -1.26 0.75 120.40 132.90 2jey s VAL 425 Ca 0.23 -0.86 -0.01 0.00 0.00 0.00 0.00 61.98 61.34 2jey s VAL 425 Cb -0.15 -1.98 -0.04 0.00 0.00 0.00 0.00 36.38 34.21 2jey s VAL 425 CO 0.13 0.52 0.06 -0.31 0.00 0.00 0.00 175.10 175.51 2jey s TYR 426 N 1.16 3.27 0.02 5.22 1.51 0.82 0.19 117.35 129.53 2jey s TYR 426 Ca 0.01 0.23 0.03 0.00 -1.01 0.00 0.00 57.07 56.33 2jey s TYR 426 Cb -0.14 -1.76 -0.01 0.00 -0.11 0.00 0.00 41.96 39.93 2jey s TYR 426 CO -0.08 0.55 -0.10 0.00 -1.11 0.00 0.00 175.55 174.81 2jey s ALA 427 N -1.10 0.82 0.07 3.71 0.00 -1.24 0.21 121.76 124.23 2jey s ALA 427 Ca 0.20 -0.57 -0.05 0.00 0.00 0.00 0.00 51.96 51.54 2jey s ALA 427 Cb -0.12 -0.14 -0.02 0.00 0.00 0.00 0.00 23.12 22.84 2jey s ALA 427 CO 0.10 0.16 0.08 1.52 0.00 0.00 0.00 175.76 177.62 2jey s TYR 428 N -0.59 0.36 -0.07 0.00 -0.85 -0.71 -1.03 117.35 114.45 2jey s TYR 428 Ca 0.01 -0.84 0.03 0.00 -0.52 0.00 0.00 57.07 55.74 2jey s TYR 428 Cb -0.06 -0.23 0.01 0.00 0.38 0.00 0.00 41.96 42.06 2jey s TYR 428 CO 0.00 -0.47 -0.15 -1.50 -1.52 0.00 0.00 175.55 171.91 2jey s ILE 429 N -3.90 1.35 -0.39 -3.49 2.07 -0.26 -1.81 121.20 114.78 2jey s ILE 429 Ca 0.07 -0.61 -0.15 0.00 -1.41 0.00 0.00 60.65 58.55 2jey s ILE 429 Cb 0.06 -1.21 0.01 0.00 0.13 0.00 0.00 42.46 41.45 2jey s ILE 429 CO -0.10 0.40 0.31 0.12 -1.91 0.00 0.00 174.94 173.76 2jey s PHE 430 N 0.57 3.22 -0.31 3.50 2.19 0.21 -0.33 117.98 127.04 2jey s PHE 430 Ca -0.15 -0.40 0.15 0.00 0.33 0.00 0.00 56.93 56.86 2jey s PHE 430 Cb -0.16 -2.61 0.47 0.00 -1.31 0.00 0.00 43.02 39.40 2jey s PHE 430 CO 0.05 -0.53 1.37 0.39 1.83 0.00 0.00 175.22 178.33 2jey n GLU 431 N 5.23 2.82 -3.83 10.12 1.02 0.16 -0.53 120.64 135.62 2jey n GLU 431 Ca -0.11 -2.66 -0.36 0.00 -0.02 0.00 0.00 57.16 54.02 2jey n GLU 431 Cb 0.48 -1.70 -0.10 0.00 -0.02 0.00 0.00 31.44 30.09 2jey n GLU 431 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2jey s HIS 432 N -2.46 3.23 -0.35 -0.32 2.46 -1.19 -4.88 115.29 111.79 2jey s HIS 432 Ca 0.37 0.02 -0.21 0.00 0.47 0.00 0.00 55.06 55.71 2jey s HIS 432 Cb 0.29 -2.19 0.00 0.00 -0.13 0.00 0.00 32.58 30.56 2jey s HIS 432 CO 0.10 0.00 0.68 0.50 -2.47 0.00 0.00 174.74 173.54 2jey s ARG 433 N 0.91 3.73 -0.11 2.88 3.52 -1.26 -4.88 118.95 123.74 2jey s ARG 433 Ca 0.05 0.17 -0.40 0.00 -0.13 0.00 0.00 55.73 55.41 2jey s ARG 433 Cb -0.13 -3.80 -0.18 0.00 -1.56 0.00 0.00 34.95 29.28 2jey s ARG 433 CO 0.03 -0.74 1.36 0.00 -0.81 0.00 0.00 175.30 175.14 2jey n ALA 434 N 6.12 -1.88 0.31 6.12 0.00 -1.26 -4.77 120.51 125.13 2jey n ALA 434 Ca 0.00 0.52 0.19 0.00 0.00 0.00 0.00 53.44 54.15 2jey n ALA 434 Cb 0.48 -1.96 0.97 0.00 0.00 0.00 0.00 19.45 18.94 2jey n ALA 434 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2jey h SER 435 N 4.51 0.00 0.22 0.00 4.64 -1.95 -1.11 113.55 119.85 2jey h SER 435 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 2jey h SER 435 Cb 1.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.46 2jey h SER 435 CO 0.80 0.02 -0.09 0.35 -0.87 0.00 0.00 176.83 177.05 2jey n THR 436 N -3.25 0.00 -1.88 2.95 -2.24 -1.26 -4.98 114.28 103.62 2jey n THR 436 Ca -0.02 -0.10 -0.39 0.00 -2.27 0.00 0.00 64.05 61.27 2jey n THR 436 Cb 0.17 0.02 0.02 0.00 -2.10 0.00 0.00 70.33 68.43 2jey n THR 436 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2jey s LEU 437 N -2.31 4.06 -0.02 3.22 2.96 -0.42 -4.92 118.68 121.25 2jey s LEU 437 Ca 0.33 2.78 0.15 0.00 -0.22 0.00 0.00 54.13 57.18 2jey s LEU 437 Cb 0.20 -4.03 -0.23 0.00 0.50 0.00 0.00 46.19 42.63 2jey s LEU 437 CO 0.44 -1.19 0.35 0.35 -1.32 0.00 0.00 176.35 174.98 2jey n THR 438 N -0.35 0.00 -1.10 3.68 -2.24 -1.26 -4.95 114.28 108.05 2jey n THR 438 Ca 0.06 -0.34 -0.33 0.00 -2.27 0.00 0.00 64.05 61.17 2jey n THR 438 Cb 0.43 0.20 0.13 0.00 -2.10 0.00 0.00 70.33 68.99 2jey n THR 438 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 2jey s TRP 439 N -3.03 1.83 0.80 4.78 0.52 -1.26 -4.98 118.94 117.59 2jey s TRP 439 Ca -0.05 1.68 -0.11 0.00 0.02 0.00 0.00 56.10 57.64 2jey s TRP 439 Cb 0.10 -3.45 0.07 0.00 -1.15 0.00 0.00 33.47 29.04 2jey s TRP 439 CO 0.64 -2.78 1.09 -1.25 0.02 0.00 0.00 176.95 174.67 2jey s PRO 440 N -4.21 2.09 0.48 4.98 0.04 -1.26 -4.91 135.00 132.21 2jey s PRO 440 Ca 0.72 0.81 0.15 0.00 0.04 0.00 0.00 61.00 62.72 2jey s PRO 440 Cb -0.27 -1.91 1.11 0.00 0.04 0.00 0.00 34.50 33.47 2jey s PRO 440 CO 0.51 -1.66 2.05 -0.07 0.04 0.00 0.00 177.00 177.88 2jey h LEU 441 N -1.12 0.00 -0.80 -3.56 3.38 -1.94 -2.74 115.31 108.54 2jey h LEU 441 Ca -0.46 0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.55 2jey h LEU 441 Cb 1.26 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.95 2jey h LEU 441 CO 0.57 0.11 0.49 4.11 0.09 0.00 0.00 178.44 183.81 2jey h TRP 442 N 0.00 0.91 0.00 1.13 5.08 -1.93 -0.41 115.95 120.74 2jey h TRP 442 Ca -0.00 0.03 0.00 0.00 1.08 0.00 0.00 58.89 60.00 2jey h TRP 442 Cb 0.20 -0.30 0.00 0.00 -3.00 0.00 0.00 29.16 26.06 2jey h TRP 442 CO 0.00 0.49 0.00 -1.33 -1.28 0.00 0.00 178.44 176.32 2jey n MET 443 N -4.64 0.14 0.00 0.12 2.81 -1.03 -4.90 117.12 109.62 2jey n MET 443 Ca 0.10 0.64 0.00 0.00 -1.81 0.00 0.00 57.70 56.63 2jey n MET 443 Cb 0.14 -1.97 0.00 0.00 -0.71 0.00 0.00 33.22 30.68 2jey n MET 443 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2jey n GLY 444 N -1.29 2.34 3.29 3.03 0.00 -0.16 -3.60 105.19 108.79 2jey n GLY 444 Ca -0.01 -0.36 -0.45 0.00 0.00 0.00 0.00 46.02 45.19 2jey n GLY 444 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jey s VAL 445 N 0.00 5.13 0.79 1.61 1.01 -1.26 -4.87 120.40 122.80 2jey s VAL 445 Ca 0.00 -1.96 -0.11 0.00 0.00 0.00 0.00 61.98 59.91 2jey s VAL 445 Cb 0.00 -4.26 0.07 0.00 0.00 0.00 0.00 36.38 32.19 2jey s VAL 445 CO 0.00 -0.91 1.15 -2.16 0.00 0.00 0.00 175.10 173.18 2jey s PRO 446 N 0.98 2.08 0.10 2.72 0.05 -1.24 -0.72 135.00 138.97 2jey s PRO 446 Ca 0.09 0.09 -0.36 0.00 0.05 0.00 0.00 61.00 60.87 2jey s PRO 446 Cb -0.22 -1.99 -0.16 0.00 0.05 0.00 0.00 34.50 32.18 2jey s PRO 446 CO -0.02 -1.50 1.39 1.58 0.05 0.00 0.00 177.00 178.50 2jey n HIS 447 N -3.23 1.66 -0.51 0.56 -0.00 -1.15 -1.66 115.22 110.89 2jey n HIS 447 Ca 0.08 0.57 0.00 0.00 -0.00 0.00 0.00 57.72 58.37 2jey n HIS 447 Cb 0.61 -2.37 0.00 0.00 -0.00 0.00 0.00 29.99 28.22 2jey n HIS 447 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2jey n GLY 448 N 2.70 0.75 1.63 1.57 0.00 -1.26 -4.94 105.19 105.64 2jey n GLY 448 Ca 0.18 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.13 2jey n GLY 448 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2jey n TYR 449 N -2.07 1.95 0.09 1.61 4.02 -0.66 -3.41 117.16 118.70 2jey n TYR 449 Ca 0.00 -1.39 0.05 0.00 -0.01 0.00 0.00 57.90 56.55 2jey n TYR 449 Cb 0.00 -0.63 -0.08 0.00 -0.02 0.00 0.00 39.34 38.62 2jey n TYR 449 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 176.86 175.00 2jey n GLU 450 N -0.68 0.99 -0.20 -0.72 0.00 -1.26 -4.66 120.64 114.11 2jey n GLU 450 Ca 0.39 -0.08 -0.02 0.00 0.00 0.00 0.00 57.16 57.45 2jey n GLU 450 Cb 1.27 -1.19 0.08 0.00 0.00 0.00 0.00 31.44 31.60 2jey n GLU 450 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.13 177.95 2jey h ILE 451 N 0.00 0.93 0.00 3.84 2.04 -1.94 -0.10 117.51 122.29 2jey h ILE 451 Ca 0.00 -0.20 -0.06 0.00 1.00 0.00 0.00 64.86 65.61 2jey h ILE 451 Cb 0.43 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 2jey h ILE 451 CO 0.00 0.10 -0.26 1.05 0.00 0.00 0.00 178.15 179.04 2jey h GLU 452 N 0.57 0.00 0.20 2.37 4.11 -1.81 -0.45 114.58 119.57 2jey h GLU 452 Ca 0.27 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.69 2jey h GLU 452 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 2jey h GLU 452 CO -0.19 0.26 -0.10 0.74 0.07 0.00 0.00 179.01 179.80 2jey h PHE 453 N 0.00 -0.25 -1.09 2.06 0.04 -1.57 0.25 116.94 116.39 2jey h PHE 453 Ca -0.00 -0.01 0.35 0.00 2.80 0.00 0.00 57.97 61.11 2jey h PHE 453 Cb 0.64 0.08 -0.14 0.00 2.20 0.00 0.00 35.95 38.74 2jey h PHE 453 CO 0.00 0.14 0.66 0.82 -0.60 0.00 0.00 178.31 179.33 2jey h ILE 454 N -0.90 0.27 -0.00 -0.55 1.08 -0.33 0.28 117.51 117.36 2jey h ILE 454 Ca -0.03 -0.09 0.00 0.00 -0.39 0.00 0.00 64.86 64.35 2jey h ILE 454 Cb 0.50 -0.01 0.00 0.00 -3.07 0.00 0.00 36.82 34.24 2jey h ILE 454 CO 0.04 0.05 -0.27 0.49 -0.69 0.00 0.00 178.15 177.77 2jey n PHE 455 N -4.91 0.00 -1.01 1.37 3.01 -0.25 -4.37 117.46 111.31 2jey n PHE 455 Ca 0.32 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.78 2jey n PHE 455 Cb 1.10 -0.30 0.00 0.00 -0.01 0.00 0.00 39.48 40.27 2jey n PHE 455 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2jey n GLY 456 N 1.45 0.40 0.29 1.37 0.00 0.98 -4.00 105.19 105.68 2jey n GLY 456 Ca 0.08 -1.05 0.07 0.00 0.00 0.00 0.00 46.02 45.12 2jey n GLY 456 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2jey h LEU 457 N 0.00 0.24 -1.17 0.99 4.07 -0.73 -1.18 115.31 117.53 2jey h LEU 457 Ca 0.00 0.13 0.23 0.00 0.08 0.00 0.00 57.88 58.32 2jey h LEU 457 Cb 0.05 0.12 -0.10 0.00 1.08 0.00 0.00 40.66 41.80 2jey h LEU 457 CO 0.00 0.05 0.63 -0.65 -1.08 0.00 0.00 178.44 177.39 2jey h PRO 458 N 0.40 0.54 -0.41 1.13 0.11 -1.86 0.47 132.00 132.39 2jey h PRO 458 Ca 0.45 -0.03 0.12 0.00 0.11 0.00 0.00 66.00 66.65 2jey h PRO 458 Cb 0.76 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.73 2jey h PRO 458 CO -0.46 0.36 0.71 -0.07 -0.21 0.00 0.00 178.00 178.33 2jey h LEU 459 N 0.56 0.00 -8.63 2.35 4.07 -1.51 -3.38 115.31 108.77 2jey h LEU 459 Ca 0.60 0.00 -0.55 0.00 0.08 0.00 0.00 57.88 58.00 2jey h LEU 459 Cb 1.22 0.00 -0.07 0.00 1.08 0.00 0.00 40.66 42.89 2jey h LEU 459 CO -0.36 0.00 0.97 -0.62 -1.08 0.00 0.00 178.44 177.34 2jey s ASP 460 N -4.22 6.50 0.30 -0.43 -1.08 0.16 -4.74 116.67 113.17 2jey s ASP 460 Ca -0.03 0.24 -0.01 0.00 -0.52 0.00 0.00 52.55 52.23 2jey s ASP 460 Cb 0.11 -2.55 0.46 0.00 -1.46 0.00 0.00 42.92 39.48 2jey s ASP 460 CO 0.37 -1.41 1.93 1.55 0.52 0.00 0.00 175.17 178.13 2jey h PRO 461 N 9.49 0.96 -0.05 4.34 0.13 -1.85 0.19 132.00 145.20 2jey h PRO 461 Ca -0.24 -0.10 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 2jey h PRO 461 Cb 1.06 -0.20 0.00 0.00 0.13 0.00 0.00 31.00 31.99 2jey h PRO 461 CO 1.17 0.70 0.00 -1.13 -0.23 0.00 0.00 178.00 178.51 2jey n SER 462 N -4.37 0.05 -0.53 1.44 3.41 -1.26 -2.30 113.62 110.06 2jey n SER 462 Ca 0.07 -0.52 0.05 0.00 -0.26 0.00 0.00 58.87 58.21 2jey n SER 462 Cb 0.09 -0.03 0.10 0.00 -0.26 0.00 0.00 64.21 64.11 2jey n SER 462 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2jey n LEU 463 N -0.32 2.44 0.00 1.04 4.77 0.65 -5.00 117.00 120.59 2jey n LEU 463 Ca 0.00 -1.56 0.00 0.00 -0.03 0.00 0.00 56.01 54.42 2jey n LEU 463 Cb 0.01 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 2jey n LEU 463 CO 0.00 0.56 0.00 0.59 -1.33 0.00 0.00 177.39 177.21 2jey n ASN 464 N 0.52 -2.38 -4.73 -1.43 3.02 -0.97 -4.98 115.26 104.31 2jey n ASN 464 Ca 0.09 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.30 2jey n ASN 464 Cb 0.35 -1.56 0.08 0.00 -0.61 0.00 0.00 39.78 38.04 2jey n ASN 464 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2jey s TYR 465 N -2.02 2.18 0.83 3.10 2.02 -1.26 -4.84 117.35 117.35 2jey s TYR 465 Ca 0.00 1.58 -0.12 0.00 -0.37 0.00 0.00 57.07 58.16 2jey s TYR 465 Cb 0.00 -3.44 0.09 0.00 -0.40 0.00 0.00 41.96 38.22 2jey s TYR 465 CO 0.00 -2.44 1.10 0.95 -1.57 0.00 0.00 175.55 173.59 2jey s THR 466 N -1.97 2.84 0.25 -0.71 -4.23 -1.26 -4.85 115.64 105.71 2jey s THR 466 Ca 0.74 0.27 -0.05 0.00 -1.18 0.00 0.00 61.69 61.47 2jey s THR 466 Cb -0.28 -2.96 0.19 0.00 1.34 0.00 0.00 72.50 70.79 2jey s THR 466 CO 0.43 -0.36 1.85 0.74 -0.54 0.00 0.00 174.62 176.74 2jey h THR 467 N -1.25 1.25 -0.37 3.99 2.02 -1.98 -1.32 112.91 115.25 2jey h THR 467 Ca -0.48 -0.69 -0.06 0.00 0.77 0.00 0.00 66.41 65.95 2jey h THR 467 Cb 1.28 0.22 -0.02 0.00 -1.74 0.00 0.00 68.15 67.89 2jey h THR 467 CO 0.58 0.29 -0.01 -0.33 0.37 0.00 0.00 175.52 176.43 2jey h GLU 468 N 1.13 0.59 -0.13 6.66 3.07 -1.99 -0.70 114.58 123.21 2jey h GLU 468 Ca 0.28 -0.14 -0.05 0.00 -0.50 0.00 0.00 59.36 58.94 2jey h GLU 468 Cb 0.11 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 27.93 2jey h GLU 468 CO -0.04 0.62 -0.17 0.93 -1.40 0.00 0.00 179.01 178.96 2jey h GLU 469 N 0.56 0.21 -0.38 2.33 5.08 -1.73 0.29 114.58 120.94 2jey h GLU 469 Ca 0.12 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.35 2jey h GLU 469 Cb 0.38 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 2jey h GLU 469 CO 0.01 0.38 -0.05 -0.09 -1.00 0.00 0.00 179.01 178.27 2jey h ARG 470 N 0.19 0.70 -0.52 2.33 2.43 -0.11 -0.04 114.38 119.36 2jey h ARG 470 Ca 0.04 -0.25 -0.07 0.00 -0.81 0.00 0.00 59.98 58.90 2jey h ARG 470 Cb 0.42 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.90 2jey h ARG 470 CO 0.03 0.82 0.07 0.82 -1.51 0.00 0.00 179.97 180.20 2jey h ILE 471 N 0.51 1.25 -0.41 1.20 5.03 -0.45 -1.58 117.51 123.05 2jey h ILE 471 Ca 0.10 -0.98 -0.02 0.00 -0.12 0.00 0.00 64.86 63.84 2jey h ILE 471 Cb 0.54 0.88 -0.02 0.00 -3.03 0.00 0.00 36.82 35.19 2jey h ILE 471 CO 0.03 0.35 0.17 0.15 -0.68 0.00 0.00 178.15 178.17 2jey h PHE 472 N 0.75 0.62 -0.43 1.37 3.57 -0.49 -0.83 116.94 121.49 2jey h PHE 472 Ca 0.16 -0.04 0.07 0.00 3.53 0.00 0.00 57.97 61.69 2jey h PHE 472 Cb 0.43 -0.19 -0.06 0.00 2.79 0.00 0.00 35.95 38.92 2jey h PHE 472 CO 0.03 0.54 0.06 0.00 -2.23 0.00 0.00 178.31 176.71 2jey h ALA 473 N 1.02 0.46 -0.22 2.41 0.00 -0.48 0.11 119.26 122.56 2jey h ALA 473 Ca 0.14 0.10 -0.05 0.00 0.00 0.00 0.00 54.91 55.10 2jey h ALA 473 Cb 0.17 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2jey h ALA 473 CO -0.01 -0.34 -0.10 1.96 0.00 0.00 0.00 179.25 180.76 2jey h GLN 474 N 0.19 0.35 -0.25 0.00 4.20 -0.95 0.18 115.11 118.82 2jey h GLN 474 Ca 0.21 -0.08 -0.03 0.00 0.06 0.00 0.00 58.65 58.81 2jey h GLN 474 Cb 0.28 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.01 2jey h GLN 474 CO -0.30 0.46 0.02 -0.09 -0.67 0.00 0.00 178.83 178.25 2jey h ARG 475 N 0.33 0.42 -0.33 1.46 2.43 0.23 0.63 114.38 119.55 2jey h ARG 475 Ca 0.07 -0.12 -0.08 0.00 -0.81 0.00 0.00 59.98 59.04 2jey h ARG 475 Cb 0.39 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.88 2jey h ARG 475 CO 0.02 0.57 -0.10 -0.07 -1.51 0.00 0.00 179.97 178.88 2jey h LEU 476 N 0.21 0.66 -1.03 3.80 3.38 -0.16 0.25 115.31 122.41 2jey h LEU 476 Ca 0.07 -0.37 0.04 0.00 0.09 0.00 0.00 57.88 57.71 2jey h LEU 476 Cb 0.36 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.88 2jey h LEU 476 CO 0.01 0.88 0.65 0.24 0.09 0.00 0.00 178.44 180.31 2jey h MET 477 N 0.42 1.20 0.64 1.13 2.86 -0.51 0.20 114.93 120.87 2jey h MET 477 Ca 0.08 -0.07 -0.03 0.00 -2.06 0.00 0.00 59.70 57.62 2jey h MET 477 Cb 0.60 -0.27 0.00 0.00 0.06 0.00 0.00 31.60 31.99 2jey h MET 477 CO 0.04 0.79 -0.35 0.87 1.06 0.00 0.00 176.91 179.31 2jey h LYS 478 N 1.23 -0.89 -0.32 1.72 1.79 0.15 -0.77 116.57 119.49 2jey h LYS 478 Ca 0.40 0.06 0.06 0.00 -2.18 0.00 0.00 60.65 59.00 2jey h LYS 478 Cb 0.04 0.20 -0.08 0.00 -1.58 0.00 0.00 32.23 30.81 2jey h LYS 478 CO -0.13 -0.59 -0.39 1.88 -1.08 0.00 0.00 179.45 179.13 2jey h TYR 479 N -0.93 -1.12 0.37 -1.35 0.05 0.53 0.86 116.97 115.38 2jey h TYR 479 Ca -0.08 0.06 -0.00 0.00 0.05 0.00 0.00 58.73 58.75 2jey h TYR 479 Cb 0.73 0.54 -0.02 0.00 1.01 0.00 0.00 36.73 38.99 2jey h TYR 479 CO -0.07 -0.43 -0.35 -1.49 -1.05 0.00 0.00 178.16 174.77 2jey h TRP 480 N -0.35 -0.95 -0.17 4.88 6.55 -0.59 0.28 115.95 125.60 2jey h TRP 480 Ca 0.13 0.01 -0.09 0.00 0.95 0.00 0.00 58.89 59.89 2jey h TRP 480 Cb 0.58 0.37 -0.01 0.00 -0.86 0.00 0.00 29.16 29.23 2jey h TRP 480 CO -0.55 -0.50 -0.28 1.79 -1.05 0.00 0.00 178.44 177.85 2jey h THR 481 N -0.74 1.26 -0.28 1.49 1.35 -0.69 0.23 112.91 115.53 2jey h THR 481 Ca -0.03 -1.24 0.01 0.00 -0.55 0.00 0.00 66.41 64.60 2jey h THR 481 Cb 0.66 1.44 -0.02 0.00 -1.73 0.00 0.00 68.15 68.51 2jey h THR 481 CO -0.05 0.38 0.16 0.78 -0.25 0.00 0.00 175.52 176.54 2jey h ASN 482 N 0.29 0.27 -0.72 5.36 2.35 0.12 0.11 115.58 123.35 2jey h ASN 482 Ca 0.04 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.76 2jey h ASN 482 Cb 0.65 -0.06 -0.03 0.00 0.05 0.00 0.00 38.32 38.93 2jey h ASN 482 CO 0.05 0.20 0.34 0.15 -1.65 0.00 0.00 177.43 176.52 2jey h PHE 483 N 0.34 1.06 -0.18 1.19 3.57 0.74 0.12 116.94 123.78 2jey h PHE 483 Ca 0.11 -0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.56 2jey h PHE 483 Cb -0.01 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 38.39 2jey h PHE 483 CO -0.07 0.78 0.11 0.00 -2.23 0.00 0.00 178.31 176.90 2jey h ALA 484 N 1.32 0.23 -0.67 2.41 0.00 -0.27 0.61 119.26 122.89 2jey h ALA 484 Ca 0.25 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.06 2jey h ALA 484 Cb 0.12 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 2jey h ALA 484 CO -0.03 -0.27 0.15 -0.09 0.00 0.00 0.00 179.25 179.00 2jey h ARG 485 N 0.22 1.09 0.00 0.00 2.43 0.41 -3.38 114.38 115.15 2jey h ARG 485 Ca 0.06 -0.27 0.00 0.00 -0.81 0.00 0.00 59.98 58.96 2jey h ARG 485 Cb 0.01 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.42 2jey h ARG 485 CO -0.01 0.98 0.00 0.25 -1.51 0.00 0.00 179.97 179.68 2jey n THR 486 N -4.26 0.00 -1.11 0.20 -2.24 0.29 -5.00 114.28 102.17 2jey n THR 486 Ca 0.04 -0.16 -0.04 0.00 -2.27 0.00 0.00 64.05 61.62 2jey n THR 486 Cb 0.27 1.18 -0.02 0.00 -2.10 0.00 0.00 70.33 69.66 2jey n THR 486 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jey n GLY 487 N 0.24 0.68 2.76 3.38 0.00 0.21 -5.01 105.19 107.45 2jey n GLY 487 Ca 0.00 -0.69 -0.18 0.00 0.00 0.00 0.00 46.02 45.16 2jey n GLY 487 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2jey s ASP 488 N -2.76 1.33 0.22 1.61 2.15 -1.25 -4.85 116.67 113.12 2jey s ASP 488 Ca 0.00 -0.22 0.18 0.00 0.43 0.00 0.00 52.55 52.94 2jey s ASP 488 Cb 0.00 0.43 0.87 0.00 -0.30 0.00 0.00 42.92 43.92 2jey s ASP 488 CO 0.00 -0.33 1.54 -0.81 -0.17 0.00 0.00 175.17 175.40 2jey n PRO 489 N 5.32 0.12 -2.49 4.34 -0.04 -1.26 -3.46 135.00 137.52 2jey n PRO 489 Ca -0.05 0.53 -0.39 0.00 -0.04 0.00 0.00 63.50 63.55 2jey n PRO 489 Cb 0.49 -1.82 -0.04 0.00 -0.04 0.00 0.00 33.50 32.09 2jey n PRO 489 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2jey s ASN 490 N -3.82 7.16 -0.22 3.54 0.01 -1.26 -4.07 114.94 116.28 2jey s ASN 490 Ca 0.00 2.22 -0.29 0.00 -0.71 0.00 0.00 52.86 54.08 2jey s ASN 490 Cb 0.06 -2.62 -0.02 0.00 0.41 0.00 0.00 41.25 39.08 2jey s ASN 490 CO 0.21 -0.22 1.54 -0.62 -1.51 0.00 0.00 177.10 176.50 2jey s ASP 491 N -1.02 6.49 0.21 -1.22 3.68 -1.26 -4.92 116.67 118.63 2jey s ASP 491 Ca 0.47 1.58 -0.09 0.00 2.13 0.00 0.00 52.55 56.65 2jey s ASP 491 Cb -0.30 -2.53 0.16 0.00 -1.45 0.00 0.00 42.92 38.80 2jey s ASP 491 CO 0.38 -1.17 1.82 -0.65 0.13 0.00 0.00 175.17 175.68 2jey h PRO 492 N 10.23 1.13 0.00 4.34 0.11 -1.94 -3.29 132.00 142.58 2jey h PRO 492 Ca -0.32 -0.15 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2jey h PRO 492 Cb 1.14 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.04 2jey h PRO 492 CO 1.00 0.86 0.00 -2.13 -0.21 0.00 0.00 178.00 177.52 2jey n ARG 493 N -4.39 0.00 -1.01 1.05 0.63 -1.26 -4.87 116.66 106.81 2jey n ARG 493 Ca 0.08 0.00 -0.44 0.00 -0.92 0.00 0.00 57.85 56.57 2jey n ARG 493 Cb 0.11 -0.15 -0.08 0.00 0.45 0.00 0.00 32.46 32.80 2jey n ARG 493 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 2jey n ASP 494 N 0.00 0.66 0.00 6.15 -0.08 -1.24 -4.83 116.55 117.21 2jey n ASP 494 Ca 0.00 0.63 0.00 0.00 -1.51 0.00 0.00 54.79 53.91 2jey n ASP 494 Cb 0.00 -0.61 0.00 0.00 2.34 0.00 0.00 41.12 42.85 2jey n ASP 494 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 2jey n SER 495 N 4.01 0.05 -0.07 1.67 3.41 -1.26 -4.46 113.62 116.97 2jey n SER 495 Ca 0.30 -1.01 -0.07 0.00 -0.26 0.00 0.00 58.87 57.83 2jey n SER 495 Cb -0.03 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 63.91 2jey n SER 495 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 2jey h LYS 496 N 0.00 -0.13 -6.87 4.33 6.56 -1.98 -3.42 116.57 115.07 2jey h LYS 496 Ca 0.00 0.01 -0.55 0.00 -1.06 0.00 0.00 60.65 59.05 2jey h LYS 496 Cb 0.56 0.03 0.10 0.00 -0.57 0.00 0.00 32.23 32.35 2jey h LYS 496 CO 0.00 -0.08 0.75 0.43 -2.06 0.00 0.00 179.45 178.48 2jey n SER 497 N -5.33 3.61 -4.78 0.86 7.64 -1.26 -4.98 113.62 109.38 2jey n SER 497 Ca 0.00 1.21 -0.35 0.00 1.01 0.00 0.00 58.87 60.73 2jey n SER 497 Cb 0.25 -1.59 -0.00 0.00 -1.01 0.00 0.00 64.21 61.85 2jey n SER 497 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 2jey s PRO 498 N -1.68 3.48 0.50 1.43 0.02 -1.26 -5.00 135.00 132.49 2jey s PRO 498 Ca 0.56 1.60 -0.19 0.00 0.02 0.00 0.00 61.00 62.99 2jey s PRO 498 Cb -0.50 -2.08 -0.08 0.00 0.02 0.00 0.00 34.50 31.86 2jey s PRO 498 CO 0.60 -0.74 1.04 -0.65 -0.33 0.00 0.00 177.00 176.91 2jey s GLN 499 N -3.19 3.75 -0.55 5.54 -1.52 -1.26 -4.84 119.66 117.59 2jey s GLN 499 Ca 0.71 1.32 -0.14 0.00 -1.95 0.00 0.00 55.36 55.30 2jey s GLN 499 Cb -0.23 -2.09 0.14 0.00 -0.22 0.00 0.00 33.01 30.60 2jey s GLN 499 CO 0.27 -0.47 0.48 -0.46 -0.25 0.00 0.00 175.29 174.86 2jey s TRP 500 N -2.08 3.36 0.56 0.91 -0.11 -1.26 -4.91 118.94 115.41 2jey s TRP 500 Ca 0.66 -1.56 -0.19 0.00 1.22 0.00 0.00 56.10 56.23 2jey s TRP 500 Cb -0.16 -3.70 -0.05 0.00 -1.50 0.00 0.00 33.47 28.06 2jey s TRP 500 CO 0.23 -1.01 1.14 -1.25 -4.62 0.00 0.00 176.95 171.44 2jey s PRO 501 N 1.34 3.25 0.48 5.86 0.04 -1.26 -4.86 135.00 139.85 2jey s PRO 501 Ca 0.06 1.62 -0.24 0.00 0.04 0.00 0.00 61.00 62.48 2jey s PRO 501 Cb -0.27 -1.99 -0.08 0.00 0.04 0.00 0.00 34.50 32.21 2jey s PRO 501 CO 0.01 -0.94 1.33 -2.30 0.04 0.00 0.00 177.00 175.14 2jey n PRO 502 N -1.45 1.90 -2.23 0.56 -0.02 -1.26 -4.63 135.00 127.86 2jey n PRO 502 Ca 0.12 0.68 -0.43 0.00 -2.02 0.00 0.00 63.50 61.85 2jey n PRO 502 Cb 0.51 -2.50 -0.02 0.00 -0.02 0.00 0.00 33.50 31.46 2jey n PRO 502 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 2jey s TYR 503 N -1.24 2.47 0.20 6.00 6.14 0.50 -4.41 117.35 127.01 2jey s TYR 503 Ca 0.65 0.64 0.11 0.00 0.64 0.00 0.00 57.07 59.11 2jey s TYR 503 Cb -0.46 -3.69 -0.04 0.00 0.42 0.00 0.00 41.96 38.18 2jey s TYR 503 CO 0.55 -2.69 -0.19 0.95 0.64 0.00 0.00 175.55 174.80 2jey s THR 504 N 3.65 2.60 0.37 4.34 -4.23 -1.26 -4.44 115.64 116.67 2jey s THR 504 Ca 0.63 -1.96 0.04 0.00 -1.18 0.00 0.00 61.69 59.22 2jey s THR 504 Cb -0.27 -2.27 0.27 0.00 1.34 0.00 0.00 72.50 71.56 2jey s THR 504 CO 0.22 -0.14 2.01 0.71 -0.54 0.00 0.00 174.62 176.88 2jey h THR 505 N 2.98 1.12 -0.12 3.99 1.35 -1.91 2.50 112.91 122.83 2jey h THR 505 Ca -0.46 -0.27 -0.08 0.00 -0.55 0.00 0.00 66.41 65.05 2jey h THR 505 Cb 1.21 0.28 0.00 0.00 -1.73 0.00 0.00 68.15 67.91 2jey h THR 505 CO 0.51 0.14 -0.24 0.00 -0.25 0.00 0.00 175.52 175.68 2jey h ALA 506 N 1.63 0.19 0.00 6.62 0.00 -2.00 -3.37 119.26 122.33 2jey h ALA 506 Ca 0.23 -0.39 -0.24 0.00 0.00 0.00 0.00 54.91 54.51 2jey h ALA 506 Cb -0.02 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 2jey h ALA 506 CO -0.06 0.16 -2.22 0.00 0.00 0.00 0.00 179.25 177.13 2jey n ALA 507 N -2.47 1.92 -3.97 0.00 0.00 -1.07 -5.00 120.51 109.92 2jey n ALA 507 Ca -0.07 -1.04 -0.30 0.00 0.00 0.00 0.00 53.44 52.03 2jey n ALA 507 Cb 0.44 -0.34 0.01 0.00 0.00 0.00 0.00 19.45 19.55 2jey n ALA 507 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2jey n GLN 508 N -2.57 -4.45 -2.81 0.00 6.02 0.84 -4.41 117.38 110.00 2jey n GLN 508 Ca -0.23 0.51 -0.37 0.00 -0.01 0.00 0.00 57.00 56.90 2jey n GLN 508 Cb 0.95 -5.18 -0.06 0.00 1.02 0.00 0.00 30.24 26.97 2jey n GLN 508 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2jey s GLN 509 N -6.60 4.56 0.10 -1.09 -0.21 -1.26 -0.36 119.66 114.80 2jey s GLN 509 Ca 0.47 1.29 -0.20 0.00 0.02 0.00 0.00 55.36 56.94 2jey s GLN 509 Cb -0.25 -2.82 0.05 0.00 1.00 0.00 0.00 33.01 30.99 2jey s GLN 509 CO 0.86 0.30 0.49 1.52 -2.12 0.00 0.00 175.29 176.34 2jey s TYR 510 N -1.59 -0.36 0.17 0.91 1.13 -0.07 -3.49 117.35 114.05 2jey s TYR 510 Ca 0.49 0.22 0.06 0.00 -1.41 0.00 0.00 57.07 56.44 2jey s TYR 510 Cb -0.19 0.35 -0.04 0.00 -1.10 0.00 0.00 41.96 40.98 2jey s TYR 510 CO 0.24 -0.70 0.05 0.14 -2.51 0.00 0.00 175.55 172.77 2jey s VAL 511 N -3.17 4.01 0.05 -3.49 -7.23 -0.20 -0.07 120.40 110.30 2jey s VAL 511 Ca -0.01 -1.28 -0.18 0.00 -1.81 0.00 0.00 61.98 58.69 2jey s VAL 511 Cb 0.00 -3.03 -0.06 0.00 0.56 0.00 0.00 36.38 33.85 2jey s VAL 511 CO -0.07 -0.10 0.53 -0.94 -0.31 0.00 0.00 175.10 174.21 2jey s SER 512 N -2.99 7.00 -0.47 4.85 1.04 0.00 -1.10 113.70 122.04 2jey s SER 512 Ca 0.29 1.19 -0.04 0.00 0.48 0.00 0.00 55.95 57.87 2jey s SER 512 Cb -0.10 -2.33 0.12 0.00 0.10 0.00 0.00 66.02 63.81 2jey s SER 512 CO 0.20 0.27 0.28 -0.76 0.98 0.00 0.00 173.24 174.22 2jey s LEU 513 N -1.03 5.31 0.00 2.42 1.43 0.55 -4.03 118.68 123.34 2jey s LEU 513 Ca 0.28 -2.23 0.00 0.00 -1.03 0.00 0.00 54.13 51.15 2jey s LEU 513 Cb -0.19 -1.86 0.00 0.00 0.03 0.00 0.00 46.19 44.17 2jey s LEU 513 CO 0.18 -0.52 0.00 -0.46 0.23 0.00 0.00 176.35 175.78 2jey n ASN 514 N 4.34 1.74 0.07 2.29 0.23 -1.26 0.35 115.26 123.03 2jey n ASN 514 Ca -0.00 -0.96 -0.05 0.00 -0.53 0.00 0.00 54.58 53.04 2jey n ASN 514 Cb 0.40 0.00 0.14 0.00 -2.08 0.00 0.00 39.78 38.24 2jey n ASN 514 CO 0.00 0.00 0.00 -0.07 -0.93 0.00 0.00 177.26 176.26 2jey h LEU 515 N 0.00 0.34-10.17 -4.53 3.38 -1.94 -3.44 115.31 98.95 2jey h LEU 515 Ca 0.00 -0.18 -0.54 0.00 0.09 0.00 0.00 57.88 57.26 2jey h LEU 515 Cb 0.00 -0.10 0.15 0.00 0.09 0.00 0.00 40.66 40.81 2jey h LEU 515 CO 0.00 0.80 0.40 -0.54 0.09 0.00 0.00 178.44 179.20 2jey s LYS 516 N -3.95 2.21 0.84 1.13 1.02 -1.26 -4.95 119.74 114.79 2jey s LYS 516 Ca -0.05 1.78 -0.13 0.00 0.02 0.00 0.00 55.97 57.58 2jey s LYS 516 Cb 0.12 -1.84 0.05 0.00 -0.52 0.00 0.00 37.83 35.65 2jey s LYS 516 CO 0.80 -1.78 0.83 -2.30 -0.92 0.00 0.00 175.35 171.98 2jey n PRO 517 N -2.61 -0.00 -1.57 -1.68 -0.02 -1.26 -4.83 135.00 123.02 2jey n PRO 517 Ca 0.14 0.06 -0.59 0.00 -2.02 0.00 0.00 63.50 61.09 2jey n PRO 517 Cb 0.50 -2.14 -0.09 0.00 -0.02 0.00 0.00 33.50 31.75 2jey n PRO 517 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2jey n LEU 518 N -2.22 1.77 -4.70 2.45 4.77 -1.26 -4.89 117.00 112.91 2jey n LEU 518 Ca 0.11 0.89 -0.35 0.00 -0.03 0.00 0.00 56.01 56.62 2jey n LEU 518 Cb 0.51 -1.06 -0.09 0.00 -2.33 0.00 0.00 43.42 40.46 2jey n LEU 518 CO 0.49 -0.64 -0.22 -0.70 -1.33 0.00 0.00 177.39 174.99 2jey s GLU 519 N 4.48 3.90 -0.21 3.23 2.12 -1.26 -4.80 118.70 126.16 2jey s GLU 519 Ca 1.06 -0.28 -0.15 0.00 0.36 0.00 0.00 54.97 55.96 2jey s GLU 519 Cb -1.21 -3.25 -0.04 0.00 0.26 0.00 0.00 34.13 29.90 2jey s GLU 519 CO 0.66 0.38 0.38 0.08 -0.54 0.00 0.00 175.26 176.22 2jey s VAL 520 N 0.09 5.20 0.33 3.70 1.01 -1.26 -0.82 120.40 128.65 2jey s VAL 520 Ca 0.07 0.66 0.10 0.00 0.00 0.00 0.00 61.98 62.80 2jey s VAL 520 Cb -0.12 -3.71 -0.06 0.00 0.00 0.00 0.00 36.38 32.49 2jey s VAL 520 CO 0.00 0.24 -0.05 -0.13 0.00 0.00 0.00 175.10 175.16 2jey s ARG 521 N 1.42 1.96 -0.11 2.72 0.52 0.89 -4.94 118.95 121.41 2jey s ARG 521 Ca 0.18 -1.80 0.03 0.00 -0.52 0.00 0.00 55.73 53.62 2jey s ARG 521 Cb -0.15 -1.85 0.01 0.00 0.52 0.00 0.00 34.95 33.48 2jey s ARG 521 CO 0.08 0.17 -0.21 1.03 0.02 0.00 0.00 175.30 176.39 2jey s ARG 522 N -3.66 2.76 0.00 3.54 0.52 -1.26 -0.89 118.95 119.97 2jey s ARG 522 Ca 0.33 -0.77 0.00 0.00 -0.52 0.00 0.00 55.73 54.77 2jey s ARG 522 Cb -0.00 -2.18 0.00 0.00 0.52 0.00 0.00 34.95 33.29 2jey s ARG 522 CO 0.18 0.06 0.00 0.41 0.02 0.00 0.00 175.30 175.97 2jey n GLY 523 N 3.84 -1.91 3.56 -3.53 0.00 0.51 -4.88 105.19 102.78 2jey n GLY 523 Ca -0.20 -0.56 -0.38 0.00 0.00 0.00 0.00 46.02 44.88 2jey n GLY 523 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jey s LEU 524 N 0.00 3.39 -0.68 0.99 2.01 -1.26 -3.72 118.68 119.41 2jey s LEU 524 Ca 0.00 1.02 -0.14 0.00 0.01 0.00 0.00 54.13 55.03 2jey s LEU 524 Cb 0.00 -2.77 0.02 0.00 0.01 0.00 0.00 46.19 43.45 2jey s LEU 524 CO 0.00 -2.49 0.26 0.54 1.01 0.00 0.00 176.35 175.66 2jey n ARG 525 N 8.96 -0.71 -0.27 1.70 5.12 -1.26 -4.68 116.66 125.52 2jey n ARG 525 Ca 0.30 -0.16 0.04 0.00 -1.93 0.00 0.00 57.85 56.11 2jey n ARG 525 Cb 0.52 -1.08 0.18 0.00 -1.16 0.00 0.00 32.46 30.92 2jey n ARG 525 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2jey h ALA 526 N 2.12 1.11 0.10 7.54 0.00 -1.90 0.30 119.26 128.52 2jey h ALA 526 Ca -0.36 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 2jey h ALA 526 Cb 0.73 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.52 2jey h ALA 526 CO 0.30 -0.10 -0.05 0.37 0.00 0.00 0.00 179.25 179.77 2jey h GLN 527 N 0.57 -0.12 -0.30 0.00 5.75 -1.93 -1.12 115.11 117.95 2jey h GLN 527 Ca 0.41 0.01 -0.08 0.00 -0.15 0.00 0.00 58.65 58.83 2jey h GLN 527 Cb 0.53 0.03 -0.02 0.00 1.07 0.00 0.00 27.48 29.10 2jey h GLN 527 CO -0.34 0.39 -0.16 1.15 -2.65 0.00 0.00 178.83 177.23 2jey h THR 528 N -0.77 1.24 0.00 2.39 2.02 -1.86 -1.91 112.91 114.03 2jey h THR 528 Ca -0.01 -1.10 -0.04 0.00 0.77 0.00 0.00 66.41 66.02 2jey h THR 528 Cb 0.57 1.19 -0.01 0.00 -1.74 0.00 0.00 68.15 68.16 2jey h THR 528 CO 0.02 0.36 -0.19 0.00 0.37 0.00 0.00 175.52 176.08 2jey h ALA 530 N 1.81 1.35 -0.42 0.00 0.00 -0.38 0.40 119.26 122.02 2jey h ALA 530 Ca -0.00 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 2jey h ALA 530 Cb 0.70 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 2jey h ALA 530 CO 0.02 0.60 0.17 0.35 0.00 0.00 0.00 179.25 180.39 2jey h PHE 531 N 1.23 0.64 0.20 0.00 3.57 -0.92 0.43 116.94 122.10 2jey h PHE 531 Ca 0.33 -0.05 -0.28 0.00 3.53 0.00 0.00 57.97 61.50 2jey h PHE 531 Cb -0.14 -0.19 0.03 0.00 2.79 0.00 0.00 35.95 38.43 2jey h PHE 531 CO 0.00 0.57 -1.28 -1.49 -2.23 0.00 0.00 178.31 173.87 2jey h TRP 532 N 0.54 0.77 0.00 0.41 4.06 -1.01 0.16 115.95 120.88 2jey h TRP 532 Ca 0.14 -0.57 -0.20 0.00 2.06 0.00 0.00 58.89 60.33 2jey h TRP 532 Cb 0.20 -0.03 -0.03 0.00 -1.00 0.00 0.00 29.16 28.29 2jey h TRP 532 CO 0.00 1.49 -1.32 -0.91 -3.56 0.00 0.00 178.44 174.15 2jey h ASN 533 N -0.07 0.00 0.00 -3.49 2.35 -0.27 -3.36 115.58 110.74 2jey h ASN 533 Ca -0.23 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.32 2jey h ASN 533 Cb 1.96 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 40.29 2jey h ASN 533 CO 0.21 0.72 -1.70 0.54 -1.65 0.00 0.00 177.43 175.55 2jey n ARG 534 N -3.02 0.29 -0.07 0.81 1.74 0.04 -4.73 116.66 111.72 2jey n ARG 534 Ca -0.09 0.09 -0.10 0.00 -0.77 0.00 0.00 57.85 56.98 2jey n ARG 534 Cb 0.89 -1.14 -0.08 0.00 -1.02 0.00 0.00 32.46 31.12 2jey n ARG 534 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 2jey h PHE 535 N -0.17 0.00 -0.82 -1.55 3.57 -0.97 -3.35 116.94 113.65 2jey h PHE 535 Ca -0.29 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.27 2jey h PHE 535 Cb 1.37 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 40.06 2jey h PHE 535 CO -0.01 0.68 0.53 1.25 -2.23 0.00 0.00 178.31 178.54 2jey h LEU 536 N -1.00 0.79 -0.27 0.59 7.12 -0.85 0.22 115.31 121.92 2jey h LEU 536 Ca -0.06 0.00 0.05 0.00 0.13 0.00 0.00 57.88 58.01 2jey h LEU 536 Cb 0.70 -0.16 -0.05 0.00 -0.53 0.00 0.00 40.66 40.62 2jey h LEU 536 CO -0.03 0.51 -0.07 -0.65 -0.13 0.00 0.00 178.44 178.06 2jey h PRO 537 N 0.89 -0.01 -0.05 5.25 0.11 -1.75 -1.65 132.00 134.79 2jey h PRO 537 Ca 0.35 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.45 2jey h PRO 537 Cb 0.23 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.34 2jey h PRO 537 CO -0.12 -0.01 -0.01 0.87 -0.21 0.00 0.00 178.00 178.52 2jey h LYS 538 N -0.01 0.07 0.00 1.05 1.57 -0.72 -0.88 116.57 117.65 2jey h LYS 538 Ca 0.13 -0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.85 2jey h LYS 538 Cb 0.20 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 2jey h LYS 538 CO -0.28 0.09 -0.25 1.25 -0.57 0.00 0.00 179.45 179.69 2jey h LEU 539 N 0.07 0.00 0.08 2.94 5.85 -0.45 -2.79 115.31 121.01 2jey h LEU 539 Ca 0.02 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 2jey h LEU 539 Cb 0.07 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.10 2jey h LEU 539 CO 0.00 0.25 -0.04 0.17 -0.34 0.00 0.00 178.44 178.48 2jey h LEU 540 N 0.00 -0.09 -6.54 2.25 8.10 -0.32 -3.34 115.31 115.38 2jey h LEU 540 Ca -0.00 -0.34 -0.36 0.00 0.11 0.00 0.00 57.88 57.29 2jey h LEU 540 Cb 0.68 0.02 0.08 0.00 -0.44 0.00 0.00 40.66 41.01 2jey h LEU 540 CO 0.03 0.31 1.32 -1.20 -4.11 0.00 0.00 178.44 174.79 2jey n SER 541 N -4.95 0.83 0.00 0.17 7.64 -1.01 -5.14 113.62 111.16 2jey n SER 541 Ca -0.08 -2.31 0.00 0.00 1.01 0.00 0.00 58.87 57.48 2jey n SER 541 Cb 0.22 -0.55 0.00 0.00 -1.01 0.00 0.00 64.21 62.87 2jey n SER 541 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03