#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1avg s VAL 17 N 0.00 5.36 -1.12 1.39 1.01 0.59 -3.84 120.40 123.80 1avg s VAL 17 Ca 0.00 0.32 -0.04 0.00 0.00 0.00 0.00 61.98 62.26 1avg s VAL 17 Cb 0.00 -3.54 0.00 0.00 0.00 0.00 0.00 36.38 32.85 1avg s VAL 17 CO 0.00 0.40 0.96 -0.62 0.00 0.00 0.00 175.10 175.84 1avg n GLU 18 N 3.68 -6.41 -2.73 2.72 -0.58 -1.26 -1.92 120.64 114.14 1avg n GLU 18 Ca -0.14 0.73 -0.09 0.00 -0.42 0.00 0.00 57.16 57.23 1avg n GLU 18 Cb 0.52 -5.43 -0.02 0.00 -0.57 0.00 0.00 31.44 25.94 1avg n GLU 18 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1avg n GLY 19 N -1.50 3.97 3.24 0.62 0.00 -1.26 -4.75 105.19 105.51 1avg n GLY 19 Ca -0.11 -2.25 -0.14 0.00 0.00 0.00 0.00 46.02 43.52 1avg n GLY 19 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1avg s GLN 20 N -2.53 1.04 0.15 1.61 -2.07 -0.61 -4.89 119.66 112.38 1avg s GLN 20 Ca 0.00 -1.45 -0.34 0.00 -1.82 0.00 0.00 55.36 51.76 1avg s GLN 20 Cb -0.00 -0.56 -0.14 0.00 -1.09 0.00 0.00 33.01 31.22 1avg s GLN 20 CO 0.00 0.05 1.58 -0.25 -1.32 0.00 0.00 175.29 175.35 1avg n ASP 21 N -0.18 3.05 -4.78 12.60 8.00 -1.26 -1.03 116.55 132.95 1avg n ASP 21 Ca -0.10 1.08 -0.39 0.00 0.71 0.00 0.00 54.79 56.09 1avg n ASP 21 Cb 0.61 -1.42 -0.06 0.00 -0.02 0.00 0.00 41.12 40.23 1avg n ASP 21 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1avg s ALA 22 N 0.97 3.42 0.90 2.24 0.00 0.35 -4.81 121.76 124.84 1avg s ALA 22 Ca 0.79 0.39 -0.11 0.00 0.00 0.00 0.00 51.96 53.04 1avg s ALA 22 Cb -0.69 -2.99 0.14 0.00 0.00 0.00 0.00 23.12 19.57 1avg s ALA 22 CO 0.38 0.28 1.11 -1.21 0.00 0.00 0.00 175.76 176.32 1avg s GLU 23 N -1.24 1.15 0.27 0.00 2.02 -1.26 -4.81 118.70 114.82 1avg s GLU 23 Ca 0.37 1.21 -0.29 0.00 0.02 0.00 0.00 54.97 56.28 1avg s GLU 23 Cb -0.23 -1.77 -0.10 0.00 0.10 0.00 0.00 34.13 32.14 1avg s GLU 23 CO 0.27 -2.43 1.33 0.54 0.02 0.00 0.00 175.26 174.98 1avg s VAL 24 N -2.75 2.90 -0.43 2.63 0.11 -1.26 -2.42 120.40 119.18 1avg s VAL 24 Ca 0.65 0.81 0.00 0.00 -2.93 0.00 0.00 61.98 60.51 1avg s VAL 24 Cb -0.21 -3.52 0.00 0.00 -1.53 0.00 0.00 36.38 31.13 1avg s VAL 24 CO 0.58 0.16 0.00 0.61 -3.33 0.00 0.00 175.10 173.12 1avg n GLY 25 N 1.64 0.66 0.24 6.54 0.00 -1.26 -4.91 105.19 108.10 1avg n GLY 25 Ca 0.03 -0.36 -0.06 0.00 0.00 0.00 0.00 46.02 45.63 1avg n GLY 25 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1avg h LEU 26 N 0.00 0.65 -6.54 0.99 5.85 -1.84 -3.35 115.31 111.07 1avg h LEU 26 Ca -0.08 -0.01 -0.59 0.00 0.84 0.00 0.00 57.88 58.04 1avg h LEU 26 Cb 0.44 -0.15 -0.39 0.00 0.37 0.00 0.00 40.66 40.93 1avg h LEU 26 CO 0.12 0.47 -0.88 -0.94 -0.34 0.00 0.00 178.44 176.86 1avg s SER 27 N -5.71 2.49 0.00 1.25 1.04 -1.26 -4.99 113.70 106.52 1avg s SER 27 Ca -0.13 -2.55 0.03 0.00 0.48 0.00 0.00 55.95 53.78 1avg s SER 27 Cb 0.13 -0.46 0.16 0.00 0.10 0.00 0.00 66.02 65.95 1avg s SER 27 CO 0.75 -0.25 0.59 -0.81 0.98 0.00 0.00 173.24 174.49 1avg n PRO 28 N 3.56 0.10 0.00 4.02 -0.04 -1.26 -1.43 135.00 139.95 1avg n PRO 28 Ca 0.18 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.74 1avg n PRO 28 Cb 0.41 -1.42 0.04 0.00 -0.04 0.00 0.00 33.50 32.48 1avg n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1avg n TRP 29 N -0.92 0.00 -2.25 0.54 2.14 -1.10 -1.08 117.44 114.76 1avg n TRP 29 Ca 0.02 0.00 -0.43 0.00 2.07 0.00 0.00 57.50 59.16 1avg n TRP 29 Cb 0.01 0.00 -0.02 0.00 -0.81 0.00 0.00 31.31 30.49 1avg n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1avg s GLN 30 N -1.87 3.66 0.19 -2.67 2.00 -0.52 -0.23 119.66 120.21 1avg s GLN 30 Ca 0.19 1.25 0.05 0.00 -2.00 0.00 0.00 55.36 54.85 1avg s GLN 30 Cb 0.16 -4.02 -0.04 0.00 0.80 0.00 0.00 33.01 29.91 1avg s GLN 30 CO 0.35 -1.46 0.19 0.08 -0.50 0.00 0.00 175.29 173.96 1avg s VAL 31 N 5.39 4.68 -0.14 1.34 1.01 -0.41 -4.24 120.40 128.04 1avg s VAL 31 Ca 0.66 -1.09 0.02 0.00 0.00 0.00 0.00 61.98 61.57 1avg s VAL 31 Cb -0.18 -3.44 0.01 0.00 0.00 0.00 0.00 36.38 32.77 1avg s VAL 31 CO 0.30 -0.18 -0.20 -0.32 0.00 0.00 0.00 175.10 174.70 1avg s MET 32 N -3.38 2.78 -0.19 2.72 1.75 -0.57 -1.44 119.30 120.97 1avg s MET 32 Ca 0.32 -0.76 -0.27 0.00 -1.25 0.00 0.00 55.69 53.73 1avg s MET 32 Cb -0.10 -2.31 -0.01 0.00 2.84 0.00 0.00 34.83 35.26 1avg s MET 32 CO 0.25 -0.07 0.92 -0.51 -0.65 0.00 0.00 175.02 174.96 1avg s LEU 33 N 0.97 4.15 0.03 4.11 1.43 0.66 -1.98 118.68 128.05 1avg s LEU 33 Ca -0.04 1.27 0.07 0.00 -1.03 0.00 0.00 54.13 54.39 1avg s LEU 33 Cb -0.15 -3.36 -0.02 0.00 0.03 0.00 0.00 46.19 42.69 1avg s LEU 33 CO -0.04 -0.50 -0.21 0.12 0.23 0.00 0.00 176.35 175.95 1avg s PHE 34 N 2.53 1.81 -0.14 0.29 5.36 -0.51 -0.90 117.98 126.41 1avg s PHE 34 Ca 0.41 -0.37 -0.13 0.00 -0.96 0.00 0.00 56.93 55.88 1avg s PHE 34 Cb -0.16 -1.11 -0.05 0.00 -0.34 0.00 0.00 43.02 41.37 1avg s PHE 34 CO 0.11 0.06 0.29 0.50 -1.46 0.00 0.00 175.22 174.72 1avg s ARG 35 N -0.98 4.18 0.10 10.12 3.52 -0.77 -1.21 118.95 133.91 1avg s ARG 35 Ca 0.08 0.11 -0.26 0.00 -0.13 0.00 0.00 55.73 55.53 1avg s ARG 35 Cb -0.09 -3.39 -0.12 0.00 -1.56 0.00 0.00 34.95 29.79 1avg s ARG 35 CO 0.01 0.31 1.68 0.87 -0.81 0.00 0.00 175.30 177.36 1avg h LYS 36 N 6.40 -0.32 -2.24 5.12 1.57 -1.58 -3.26 116.57 122.26 1avg h LYS 36 Ca -0.43 0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.32 1avg h LYS 36 Cb 1.17 0.07 -0.25 0.00 0.08 0.00 0.00 32.23 33.30 1avg h LYS 36 CO 0.73 -0.21 -0.32 0.45 -0.57 0.00 0.00 179.45 179.53 1avg s SER 36 N -4.91 -0.49 0.70 0.86 0.15 -1.26 -3.69 113.70 105.06 1avg s SER 36 Ca -0.15 1.05 -0.14 0.00 0.70 0.00 0.00 55.95 57.42 1avg s SER 36 Cb 0.07 1.61 0.02 0.00 -1.71 0.00 0.00 66.02 66.00 1avg s SER 36 CO 0.65 -0.24 1.10 -2.16 1.20 0.00 0.00 173.24 173.80 1avg s PRO 37 N 2.69 2.63 0.12 5.44 0.04 -1.26 -5.09 135.00 139.57 1avg s PRO 37 Ca 0.00 1.32 -0.31 0.00 0.04 0.00 0.00 61.00 62.05 1avg s PRO 37 Cb -0.13 -1.93 -0.09 0.00 0.04 0.00 0.00 34.50 32.39 1avg s PRO 37 CO -0.15 -1.37 1.59 -0.65 0.04 0.00 0.00 177.00 176.46 1avg s GLN 38 N -4.36 4.21 -0.28 4.56 -0.21 -1.24 -4.60 119.66 117.74 1avg s GLN 38 Ca 0.65 2.34 -0.25 0.00 0.02 0.00 0.00 55.36 58.11 1avg s GLN 38 Cb -0.19 -3.33 0.12 0.00 1.00 0.00 0.00 33.01 30.60 1avg s GLN 38 CO 0.46 -0.65 0.99 -2.00 -2.12 0.00 0.00 175.29 171.97 1avg s GLU 39 N 1.73 0.55 -0.11 2.91 2.12 -1.23 -4.98 118.70 119.68 1avg s GLU 39 Ca 0.71 0.64 -0.30 0.00 0.36 0.00 0.00 54.97 56.39 1avg s GLU 39 Cb -0.42 0.27 -0.01 0.00 0.26 0.00 0.00 34.13 34.23 1avg s GLU 39 CO 0.32 -0.07 1.02 -1.17 -0.54 0.00 0.00 175.26 174.82 1avg s LEU 40 N 0.23 4.24 -0.26 2.70 0.20 -1.26 -1.85 118.68 122.68 1avg s LEU 40 Ca 0.03 1.53 -0.07 0.00 0.69 0.00 0.00 54.13 56.31 1avg s LEU 40 Cb -0.05 -3.56 -0.16 0.00 -0.43 0.00 0.00 46.19 42.00 1avg s LEU 40 CO -0.05 -0.47 -0.22 0.18 -0.29 0.00 0.00 176.35 175.50 1avg n LEU 41 N 5.09 2.46 0.00 -0.68 4.77 -0.08 -4.97 117.00 123.59 1avg n LEU 41 Ca 0.09 0.12 -0.03 0.00 -0.03 0.00 0.00 56.01 56.16 1avg n LEU 41 Cb 0.48 -0.89 0.02 0.00 -2.33 0.00 0.00 43.42 40.70 1avg n LEU 41 CO 0.52 0.74 0.57 0.00 -1.33 0.00 0.00 177.39 177.89 1avg s GLY 43 N -2.95 2.12 0.32 0.00 0.00 -1.26 -0.25 107.32 105.30 1avg s GLY 43 Ca 0.16 -1.67 -0.18 0.00 0.00 0.00 0.00 44.72 43.03 1avg s GLY 43 CO 0.05 -1.80 0.88 0.00 0.00 0.00 0.00 173.10 172.23 1avg s ALA 44 N -2.66 -1.04 -0.01 3.20 0.00 -0.52 -3.47 121.76 117.26 1avg s ALA 44 Ca 0.46 -0.62 0.01 0.00 0.00 0.00 0.00 51.96 51.82 1avg s ALA 44 Cb -0.04 0.70 0.00 0.00 0.00 0.00 0.00 23.12 23.79 1avg s ALA 44 CO 0.28 -1.01 -0.05 0.45 0.00 0.00 0.00 175.76 175.43 1avg s SER 45 N -3.20 0.64 -0.34 0.00 0.15 0.40 -1.29 113.70 110.06 1avg s SER 45 Ca 0.18 -0.09 -0.22 0.00 0.70 0.00 0.00 55.95 56.52 1avg s SER 45 Cb -0.04 -0.13 0.00 0.00 -1.71 0.00 0.00 66.02 64.14 1avg s SER 45 CO 0.09 0.03 0.71 -0.22 1.20 0.00 0.00 173.24 175.06 1avg s LEU 46 N 0.12 4.17 -0.01 3.45 2.96 0.67 -0.00 118.68 130.04 1avg s LEU 46 Ca -0.01 0.35 0.22 0.00 -0.22 0.00 0.00 54.13 54.47 1avg s LEU 46 Cb -0.05 -2.92 -0.30 0.00 0.50 0.00 0.00 46.19 43.43 1avg s LEU 46 CO -0.00 -0.62 0.56 2.30 -1.32 0.00 0.00 176.35 177.27 1avg n ILE 47 N 5.61 0.05 -3.64 6.68 -5.35 -0.39 -1.68 119.36 120.64 1avg n ILE 47 Ca 0.01 -0.46 -0.07 0.00 -0.27 0.00 0.00 62.75 61.96 1avg n ILE 47 Cb 0.48 0.05 0.02 0.00 -1.74 0.00 0.00 39.64 38.45 1avg n ILE 47 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1avg n SER 48 N -2.23 -1.69 0.00 7.28 3.41 -1.13 -4.62 113.62 114.64 1avg n SER 48 Ca -0.03 -2.24 0.09 0.00 -0.26 0.00 0.00 58.87 56.43 1avg n SER 48 Cb 0.55 2.84 0.42 0.00 -0.26 0.00 0.00 64.21 67.76 1avg n SER 48 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1avg n ASP 49 N -1.44 0.00 0.00 4.04 5.75 -1.26 -3.58 116.55 120.06 1avg n ASP 49 Ca -0.06 0.41 0.00 0.00 -0.01 0.00 0.00 54.79 55.13 1avg n ASP 49 Cb 0.45 -0.46 0.00 0.00 -1.03 0.00 0.00 41.12 40.08 1avg n ASP 49 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 1avg n ARG 50 N -1.46 0.49 -4.66 0.11 1.85 -1.26 -1.35 116.66 110.38 1avg n ARG 50 Ca 0.05 -0.59 -0.25 0.00 -1.00 0.00 0.00 57.85 56.07 1avg n ARG 50 Cb 0.21 -0.62 -0.16 0.00 -1.05 0.00 0.00 32.46 30.84 1avg n ARG 50 CO 0.00 0.00 0.00 -1.58 -0.01 0.00 0.00 177.63 176.04 1avg s TRP 51 N -0.18 1.51 -0.04 2.89 0.52 -1.23 -1.95 118.94 120.45 1avg s TRP 51 Ca 0.00 -0.51 0.03 0.00 0.02 0.00 0.00 56.10 55.64 1avg s TRP 51 Cb 0.00 -1.08 0.00 0.00 -1.15 0.00 0.00 33.47 31.25 1avg s TRP 51 CO 0.00 -0.24 -0.14 0.54 0.02 0.00 0.00 176.95 177.14 1avg s VAL 52 N 0.44 1.17 -0.07 4.03 0.11 -0.34 -1.26 120.40 124.48 1avg s VAL 52 Ca -0.11 -0.55 -0.04 0.00 -2.93 0.00 0.00 61.98 58.35 1avg s VAL 52 Cb -0.14 -1.03 -0.04 0.00 -1.53 0.00 0.00 36.38 33.64 1avg s VAL 52 CO 0.03 0.35 0.12 -0.22 -3.33 0.00 0.00 175.10 172.05 1avg s LEU 53 N 0.24 4.18 0.00 2.54 2.96 1.00 -0.48 118.68 129.12 1avg s LEU 53 Ca -0.06 0.34 -0.04 0.00 -0.22 0.00 0.00 54.13 54.14 1avg s LEU 53 Cb -0.12 -2.20 0.02 0.00 0.50 0.00 0.00 46.19 44.39 1avg s LEU 53 CO 0.02 0.35 0.26 1.07 -1.32 0.00 0.00 176.35 176.73 1avg n THR 54 N 1.61 0.00 -3.68 3.68 5.66 -0.37 -0.45 114.28 120.73 1avg n THR 54 Ca -0.16 -0.45 -0.34 0.00 -3.05 0.00 0.00 64.05 60.05 1avg n THR 54 Cb 0.54 0.38 -0.05 0.00 -1.55 0.00 0.00 70.33 69.64 1avg n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1avg s ALA 55 N -1.57 3.80 0.21 1.79 0.00 -1.26 -0.70 121.76 124.02 1avg s ALA 55 Ca 0.07 -0.51 -0.09 0.00 0.00 0.00 0.00 51.96 51.43 1avg s ALA 55 Cb -0.01 -2.15 0.15 0.00 0.00 0.00 0.00 23.12 21.11 1avg s ALA 55 CO 0.05 0.63 1.81 0.00 0.00 0.00 0.00 175.76 178.25 1avg h ALA 56 N 3.59 0.99 0.00 0.00 0.00 -1.69 -2.93 119.26 119.22 1avg h ALA 56 Ca -0.49 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.28 1avg h ALA 56 Cb 1.19 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1avg h ALA 56 CO 0.68 0.53 0.00 -2.39 0.00 0.00 0.00 179.25 178.08 1avg n HIS 57 N -4.40 0.00 0.30 0.00 1.44 -1.26 -1.46 115.22 109.85 1avg n HIS 57 Ca 0.07 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.90 1avg n HIS 57 Cb 0.12 -0.27 0.22 0.00 0.12 0.00 0.00 29.99 30.17 1avg n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1avg n LEU 59 N -2.92 0.58 -4.17 0.00 4.77 -0.58 -4.86 117.00 109.81 1avg n LEU 59 Ca 0.04 0.10 -0.34 0.00 -0.03 0.00 0.00 56.01 55.78 1avg n LEU 59 Cb 0.51 -0.24 -0.14 0.00 -2.33 0.00 0.00 43.42 41.22 1avg n LEU 59 CO 0.33 0.16 -0.40 -0.22 -1.33 0.00 0.00 177.39 175.94 1avg s LEU 60 N -6.45 3.47 0.08 2.23 2.96 -0.54 -1.35 118.68 119.08 1avg s LEU 60 Ca -0.11 -1.08 -0.26 0.00 -0.22 0.00 0.00 54.13 52.46 1avg s LEU 60 Cb 0.04 -1.67 0.09 0.00 0.50 0.00 0.00 46.19 45.15 1avg s LEU 60 CO 0.14 -0.18 0.76 -0.47 -1.32 0.00 0.00 176.35 175.28 1avg s TYR 60 N 1.27 -0.43 0.00 5.38 5.04 -0.19 -4.02 117.35 124.40 1avg s TYR 60 Ca -0.03 0.25 0.00 0.00 -2.44 0.00 0.00 57.07 54.85 1avg s TYR 60 Cb -0.18 0.55 0.00 0.00 0.35 0.00 0.00 41.96 42.68 1avg s TYR 60 CO -0.03 -0.70 0.00 -2.30 -1.34 0.00 0.00 175.55 171.18 1avg n PRO 60 N -0.31 0.00 0.00 4.97 -0.02 -1.26 -2.11 135.00 136.27 1avg n PRO 60 Ca -0.12 0.00 0.09 0.00 -2.02 0.00 0.00 63.50 61.45 1avg n PRO 60 Cb 0.63 -0.13 0.05 0.00 -0.02 0.00 0.00 33.50 34.03 1avg n PRO 60 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1avg n TRP 60 N -0.00 0.00 -1.00 6.00 8.01 -1.26 -4.96 117.44 124.22 1avg n TRP 60 Ca 0.00 0.00 -0.00 0.00 -1.31 0.00 0.00 57.50 56.19 1avg n TRP 60 Cb 0.00 0.00 -0.00 0.00 -2.01 0.00 0.00 31.31 29.30 1avg n TRP 60 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 1avg n ASP 60 N 0.64 -3.02 -4.68 -0.99 8.00 -1.12 -5.02 116.55 110.36 1avg n ASP 60 Ca 0.10 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.18 1avg n ASP 60 Cb 0.44 -0.53 -0.03 0.00 -0.02 0.00 0.00 41.12 40.99 1avg n ASP 60 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1avg s LYS 60 N -1.65 4.38 -0.46 -1.24 1.02 -0.90 -4.92 119.74 115.97 1avg s LYS 60 Ca 0.00 1.36 0.05 0.00 0.02 0.00 0.00 55.97 57.40 1avg s LYS 60 Cb 0.00 -3.56 0.27 0.00 -0.52 0.00 0.00 37.83 34.02 1avg s LYS 60 CO 0.00 -0.37 1.01 -1.71 -0.92 0.00 0.00 175.35 173.36 1avg n ASN 60 N 5.26 -2.55 -4.80 2.83 5.15 -0.90 -1.02 115.26 119.23 1avg n ASN 60 Ca 0.09 -3.27 -0.34 0.00 -0.60 0.00 0.00 54.58 50.46 1avg n ASN 60 Cb 0.48 1.76 -0.05 0.00 -0.53 0.00 0.00 39.78 41.45 1avg n ASN 60 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 1avg s PHE 60 N 0.49 3.15 0.41 1.20 0.08 -0.46 -5.01 117.98 117.85 1avg s PHE 60 Ca 0.28 1.60 0.07 0.00 0.12 0.00 0.00 56.93 59.00 1avg s PHE 60 Cb 0.25 -3.01 -0.08 0.00 -0.57 0.00 0.00 43.02 39.61 1avg s PHE 60 CO -0.17 -0.57 0.03 0.95 -0.10 0.00 0.00 175.22 175.36 1avg s THR 60 N -1.96 2.04 0.62 0.64 -4.23 -1.26 -4.88 115.64 106.61 1avg s THR 60 Ca 0.64 -1.97 0.32 0.00 -1.18 0.00 0.00 61.69 59.50 1avg s THR 60 Cb -0.15 -2.99 0.37 0.00 1.34 0.00 0.00 72.50 71.06 1avg s THR 60 CO 0.19 -0.00 2.11 -0.37 -0.54 0.00 0.00 174.62 176.01 1avg h VAL 61 N 1.73 0.28 -0.00 2.29 -1.51 -1.93 -0.64 116.25 116.47 1avg h VAL 61 Ca -0.44 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.03 1avg h VAL 61 Cb 1.24 0.83 0.00 0.00 -2.13 0.00 0.00 31.29 31.23 1avg h VAL 61 CO 0.79 0.00 -0.15 0.47 -1.23 0.00 0.00 177.57 177.45 1avg n ASP 62 N -3.47 0.62 -0.00 4.19 8.00 -1.26 -3.90 116.55 120.72 1avg n ASP 62 Ca 0.00 -0.64 0.11 0.00 0.71 0.00 0.00 54.79 54.97 1avg n ASP 62 Cb 0.29 -0.02 -0.16 0.00 -0.02 0.00 0.00 41.12 41.22 1avg n ASP 62 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1avg n ASP 63 N -0.88 0.09 -4.47 -2.24 8.00 -0.25 -4.95 116.55 111.85 1avg n ASP 63 Ca 0.14 -0.04 -0.26 0.00 0.71 0.00 0.00 54.79 55.34 1avg n ASP 63 Cb 0.30 1.87 -0.10 0.00 -0.02 0.00 0.00 41.12 43.17 1avg n ASP 63 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1avg s LEU 64 N -4.47 2.31 -0.07 0.64 1.43 -1.23 -1.47 118.68 115.81 1avg s LEU 64 Ca -0.07 -1.49 -0.21 0.00 -1.03 0.00 0.00 54.13 51.33 1avg s LEU 64 Cb 0.14 -0.50 0.05 0.00 0.03 0.00 0.00 46.19 45.91 1avg s LEU 64 CO 0.90 -0.69 0.49 -1.48 0.23 0.00 0.00 176.35 175.80 1avg s LEU 65 N -3.63 0.12 -0.19 1.79 0.05 -0.35 -4.60 118.68 111.87 1avg s LEU 65 Ca 0.28 0.55 -0.08 0.00 0.05 0.00 0.00 54.13 54.92 1avg s LEU 65 Cb 0.06 1.83 -0.04 0.00 -2.05 0.00 0.00 46.19 45.99 1avg s LEU 65 CO 0.14 -0.43 0.09 0.68 -0.55 0.00 0.00 176.35 176.27 1avg s VAL 66 N -0.87 5.04 -0.27 1.48 -7.23 -0.60 -1.43 120.40 116.53 1avg s VAL 66 Ca -0.09 0.05 -0.06 0.00 -1.81 0.00 0.00 61.98 60.07 1avg s VAL 66 Cb -0.03 -3.28 -0.00 0.00 0.56 0.00 0.00 36.38 33.63 1avg s VAL 66 CO 0.05 0.46 0.05 -0.13 -0.31 0.00 0.00 175.10 175.22 1avg s ARG 67 N 0.34 3.28 0.14 4.82 0.52 -0.84 -0.89 118.95 126.31 1avg s ARG 67 Ca 0.05 -0.72 0.08 0.00 -0.52 0.00 0.00 55.73 54.62 1avg s ARG 67 Cb -0.12 -3.28 -0.04 0.00 0.52 0.00 0.00 34.95 32.03 1avg s ARG 67 CO -0.01 -0.33 -0.13 0.42 0.02 0.00 0.00 175.30 175.27 1avg s ILE 68 N 1.52 3.08 0.00 1.52 1.01 -0.15 -1.51 121.20 126.67 1avg s ILE 68 Ca 0.04 -1.50 0.00 0.00 0.00 0.00 0.00 60.65 59.19 1avg s ILE 68 Cb -0.16 -2.46 0.00 0.00 0.01 0.00 0.00 42.46 39.85 1avg s ILE 68 CO 0.01 0.03 0.00 0.61 0.00 0.00 0.00 174.94 175.59 1avg n GLY 69 N 0.52 0.80 3.70 6.18 0.00 -1.26 -0.97 105.19 114.16 1avg n GLY 69 Ca -0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.59 1avg n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1avg s LYS 70 N -0.40 0.87 0.11 1.61 1.02 -1.26 -4.37 119.74 117.32 1avg s LYS 70 Ca 0.00 0.63 0.00 0.00 0.02 0.00 0.00 55.97 56.62 1avg s LYS 70 Cb 0.00 -1.78 0.00 0.00 -0.52 0.00 0.00 37.83 35.53 1avg s LYS 70 CO 0.00 -2.46 0.00 1.58 -0.92 0.00 0.00 175.35 173.55 1avg n HIS 71 N -4.00 -0.98 -2.41 3.18 -0.00 -1.26 -4.92 115.22 104.82 1avg n HIS 71 Ca 0.06 0.17 -0.32 0.00 -0.00 0.00 0.00 57.72 57.63 1avg n HIS 71 Cb 0.56 0.51 -0.03 0.00 -0.00 0.00 0.00 29.99 31.03 1avg n HIS 71 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1avg s SER 72 N -5.02 6.63 -0.13 0.26 0.15 -1.26 -0.85 113.70 113.47 1avg s SER 72 Ca 0.00 1.56 0.15 0.00 0.70 0.00 0.00 55.95 58.36 1avg s SER 72 Cb 0.00 -2.51 -0.24 0.00 -1.71 0.00 0.00 66.02 61.56 1avg s SER 72 CO 0.00 -0.58 0.34 -2.11 1.20 0.00 0.00 173.24 172.09 1avg n ARG 73 N -1.56 0.66 -0.01 5.44 1.85 -0.21 -4.48 116.66 118.36 1avg n ARG 73 Ca 0.06 0.13 0.06 0.00 -1.00 0.00 0.00 57.85 57.11 1avg n ARG 73 Cb 0.54 -1.65 -0.14 0.00 -1.05 0.00 0.00 32.46 30.16 1avg n ARG 73 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 1avg n THR 74 N -2.90 0.43 -3.37 8.89 -2.24 -1.26 -4.98 114.28 108.86 1avg n THR 74 Ca -0.26 -0.59 -0.38 0.00 -2.27 0.00 0.00 64.05 60.55 1avg n THR 74 Cb 1.11 -0.18 -0.06 0.00 -2.10 0.00 0.00 70.33 69.10 1avg n THR 74 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1avg s ARG 75 N -3.26 4.07 -0.26 -0.78 3.52 -1.26 -5.05 118.95 115.93 1avg s ARG 75 Ca -0.07 0.59 -0.24 0.00 -0.13 0.00 0.00 55.73 55.87 1avg s ARG 75 Cb 0.12 -3.19 -0.00 0.00 -1.56 0.00 0.00 34.95 30.31 1avg s ARG 75 CO 0.87 0.64 0.83 -0.47 -0.81 0.00 0.00 175.30 176.36 1avg s TYR 76 N -1.15 3.28 -0.62 5.12 5.04 -1.26 -4.76 117.35 122.99 1avg s TYR 76 Ca 0.28 1.06 -0.10 0.00 -2.44 0.00 0.00 57.07 55.88 1avg s TYR 76 Cb -0.18 -3.12 0.16 0.00 0.35 0.00 0.00 41.96 39.17 1avg s TYR 76 CO 0.17 -0.46 0.51 -1.21 -1.34 0.00 0.00 175.55 173.22 1avg s GLU 77 N 2.91 2.88 0.32 4.97 2.02 -1.26 -4.96 118.70 125.58 1avg s GLU 77 Ca 0.35 -2.16 0.09 0.00 0.02 0.00 0.00 54.97 53.27 1avg s GLU 77 Cb -0.15 -4.06 0.88 0.00 0.10 0.00 0.00 34.13 30.90 1avg s GLU 77 CO 0.09 -1.23 1.73 -0.09 0.02 0.00 0.00 175.26 175.78 1avg h ARG 77 N 7.93 0.58 0.00 1.61 2.43 -1.95 0.18 114.38 125.15 1avg h ARG 77 Ca -0.07 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.04 1avg h ARG 77 Cb 1.03 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 30.45 1avg h ARG 77 CO 0.81 0.38 -0.10 0.87 -1.51 0.00 0.00 179.97 180.42 1avg h LYS 78 N 0.59 0.00 0.00 0.20 1.57 -2.01 -3.40 116.57 113.52 1avg h LYS 78 Ca 0.64 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.42 1avg h LYS 78 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.51 1avg h LYS 78 CO -0.46 0.10 -0.74 1.33 -0.57 0.00 0.00 179.45 179.11 1avg n VAL 79 N -3.14 0.00 -2.88 0.50 0.24 -0.88 -5.09 118.33 107.08 1avg n VAL 79 Ca 0.03 0.00 -0.38 0.00 -2.04 0.00 0.00 64.34 61.95 1avg n VAL 79 Cb 0.52 -0.53 -0.06 0.00 -1.47 0.00 0.00 33.84 32.30 1avg n VAL 79 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 1avg s GLU 80 N -1.69 4.56 -0.05 7.34 2.12 0.57 -4.51 118.70 127.04 1avg s GLU 80 Ca 0.00 1.23 0.02 0.00 0.36 0.00 0.00 54.97 56.58 1avg s GLU 80 Cb 0.00 -2.99 0.02 0.00 0.26 0.00 0.00 34.13 31.42 1avg s GLU 80 CO 0.00 0.40 -0.09 0.15 -0.54 0.00 0.00 175.26 175.18 1avg s LYS 81 N -1.71 1.27 -0.16 4.30 -0.14 -0.14 -4.82 119.74 118.33 1avg s LYS 81 Ca 0.44 -0.28 -0.06 0.00 -1.36 0.00 0.00 55.97 54.71 1avg s LYS 81 Cb -0.20 -1.12 -0.04 0.00 -1.68 0.00 0.00 37.83 34.79 1avg s LYS 81 CO 0.25 -0.01 0.05 0.42 -0.76 0.00 0.00 175.35 175.31 1avg s ILE 82 N 0.71 4.74 0.20 2.17 1.01 -1.26 -0.98 121.20 127.78 1avg s ILE 82 Ca -0.12 -0.06 0.04 0.00 0.00 0.00 0.00 60.65 60.51 1avg s ILE 82 Cb -0.15 -3.11 -0.05 0.00 0.01 0.00 0.00 42.46 39.17 1avg s ILE 82 CO 0.02 0.50 -0.04 -0.55 0.00 0.00 0.00 174.94 174.86 1avg s SER 83 N 0.08 1.83 0.24 3.58 0.15 -0.07 -5.00 113.70 114.50 1avg s SER 83 Ca 0.05 -1.14 0.11 0.00 0.70 0.00 0.00 55.95 55.67 1avg s SER 83 Cb -0.12 0.00 -0.05 0.00 -1.71 0.00 0.00 66.02 64.14 1avg s SER 83 CO 0.01 -0.44 -0.21 -0.04 1.20 0.00 0.00 173.24 173.76 1avg s MET 84 N -3.82 1.58 0.24 5.44 -1.94 -1.26 -1.55 119.30 117.99 1avg s MET 84 Ca 0.24 -1.65 -0.05 0.00 -1.71 0.00 0.00 55.69 52.52 1avg s MET 84 Cb 0.04 -1.73 -0.05 0.00 2.01 0.00 0.00 34.83 35.10 1avg s MET 84 CO 0.06 0.34 0.49 -0.51 -0.01 0.00 0.00 175.02 175.39 1avg s LEU 85 N -3.15 4.14 -0.08 -0.03 1.43 -1.26 -0.73 118.68 119.00 1avg s LEU 85 Ca 0.25 0.68 0.07 0.00 -1.03 0.00 0.00 54.13 54.10 1avg s LEU 85 Cb -0.06 -3.46 -0.10 0.00 0.03 0.00 0.00 46.19 42.60 1avg s LEU 85 CO 0.12 -0.10 0.02 -0.67 0.23 0.00 0.00 176.35 175.94 1avg n ASP 86 N -0.56 2.97 -3.65 2.29 2.03 0.13 -4.56 116.55 115.20 1avg n ASP 86 Ca -0.02 -0.01 -0.15 0.00 0.52 0.00 0.00 54.79 55.14 1avg n ASP 86 Cb 0.53 0.62 -0.08 0.00 -0.72 0.00 0.00 41.12 41.47 1avg n ASP 86 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 1avg s LYS 87 N -2.20 0.76 -0.14 -0.67 2.20 -1.17 -5.01 119.74 113.50 1avg s LYS 87 Ca -0.05 0.54 0.02 0.00 -0.36 0.00 0.00 55.97 56.12 1avg s LYS 87 Cb 0.03 0.36 0.00 0.00 -1.51 0.00 0.00 37.83 36.71 1avg s LYS 87 CO 0.33 -0.15 -0.20 0.42 -0.36 0.00 0.00 175.35 175.39 1avg s ILE 88 N -0.26 2.28 -0.22 5.43 1.01 -1.26 -0.95 121.20 127.24 1avg s ILE 88 Ca -0.04 -0.91 -0.00 0.00 0.00 0.00 0.00 60.65 59.69 1avg s ILE 88 Cb -0.03 -1.92 0.02 0.00 0.01 0.00 0.00 42.46 40.54 1avg s ILE 88 CO 0.03 0.54 -0.12 -0.31 0.00 0.00 0.00 174.94 175.08 1avg s TYR 89 N 0.72 2.96 -0.07 3.97 1.51 0.36 -5.01 117.35 121.79 1avg s TYR 89 Ca -0.09 -1.62 0.02 0.00 -1.01 0.00 0.00 57.07 54.37 1avg s TYR 89 Cb -0.16 -1.99 -0.03 0.00 -0.11 0.00 0.00 41.96 39.68 1avg s TYR 89 CO 0.01 -0.76 -0.10 0.42 -1.11 0.00 0.00 175.55 174.00 1avg s ILE 90 N 1.30 3.39 0.03 2.71 1.01 -1.26 -0.72 121.20 127.66 1avg s ILE 90 Ca 0.02 -0.59 -0.34 0.00 0.00 0.00 0.00 60.65 59.74 1avg s ILE 90 Cb -0.15 -2.37 -0.12 0.00 0.01 0.00 0.00 42.46 39.82 1avg s ILE 90 CO -0.08 0.58 1.76 1.57 0.00 0.00 0.00 174.94 178.77 1avg n HIS 91 N 2.42 2.33 -0.33 3.97 -0.00 -1.16 -4.87 115.22 117.59 1avg n HIS 91 Ca -0.18 0.08 0.14 0.00 -0.00 0.00 0.00 57.72 57.76 1avg n HIS 91 Cb 0.53 -2.62 0.36 0.00 -0.00 0.00 0.00 29.99 28.25 1avg n HIS 91 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 1avg h PRO 92 N 7.88 0.69 -0.52 1.57 0.11 -1.95 0.15 132.00 139.93 1avg h PRO 92 Ca -0.47 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1avg h PRO 92 Cb 1.26 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1avg h PRO 92 CO 0.92 0.46 0.00 0.54 -0.21 0.00 0.00 178.00 179.71 1avg n ARG 93 N -4.68 1.96 -1.68 1.05 3.00 -1.26 -4.92 116.66 110.13 1avg n ARG 93 Ca 0.22 -1.03 -0.42 0.00 -0.01 0.00 0.00 57.85 56.61 1avg n ARG 93 Cb 0.57 -1.46 -0.03 0.00 0.00 0.00 0.00 32.46 31.54 1avg n ARG 93 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.63 177.16 1avg s TYR 94 N -1.64 1.30 -0.74 -1.55 5.04 0.51 -4.73 117.35 115.53 1avg s TYR 94 Ca 0.18 -0.04 -0.15 0.00 -2.44 0.00 0.00 57.07 54.63 1avg s TYR 94 Cb 0.12 -4.11 0.19 0.00 0.35 0.00 0.00 41.96 38.50 1avg s TYR 94 CO 0.09 -4.86 0.71 1.21 -1.34 0.00 0.00 175.55 171.35 1avg s ASN 95 N 5.77 6.58 0.07 4.32 3.84 -0.60 -4.87 114.94 130.05 1avg s ASN 95 Ca 0.91 -2.37 0.23 0.00 0.21 0.00 0.00 52.86 51.84 1avg s ASN 95 Cb -0.38 -2.22 0.01 0.00 -0.55 0.00 0.00 41.25 38.11 1avg s ASN 95 CO 0.38 -0.69 0.98 -2.67 -2.79 0.00 0.00 177.10 172.31 1avg n TRP 96 N 4.52 0.35 -0.04 0.43 4.27 -1.26 -0.17 117.44 125.53 1avg n TRP 96 Ca 0.06 0.10 -0.13 0.00 -3.89 0.00 0.00 57.50 53.64 1avg n TRP 96 Cb 0.45 -0.52 -0.08 0.00 -1.36 0.00 0.00 31.31 29.80 1avg n TRP 96 CO 0.00 0.00 0.00 0.87 -2.29 0.00 0.00 177.69 176.27 1avg h LYS 97 N 0.00 0.25 0.00 -2.67 6.56 -2.00 -3.43 116.57 115.27 1avg h LYS 97 Ca 0.00 -0.12 0.00 0.00 -1.06 0.00 0.00 60.65 59.47 1avg h LYS 97 Cb 0.79 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.45 1avg h LYS 97 CO 0.00 0.64 0.00 0.39 -2.06 0.00 0.00 179.45 178.42 1avg n GLU 97 N -4.66 0.00 -0.49 3.15 1.02 -1.26 -4.94 120.64 113.46 1avg n GLU 97 Ca -0.07 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.15 1avg n GLU 97 Cb 0.31 0.00 0.28 0.00 -0.02 0.00 0.00 31.44 32.01 1avg n GLU 97 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1avg n ASN 98 N 0.00 4.12 -3.56 1.62 6.94 -1.26 -4.96 115.26 118.16 1avg n ASN 98 Ca 0.00 -2.75 -0.23 0.00 -0.02 0.00 0.00 54.58 51.58 1avg n ASN 98 Cb 0.00 -0.52 0.08 0.00 -2.36 0.00 0.00 39.78 36.98 1avg n ASN 98 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1avg n LEU 99 N 0.06 -3.51 -4.77 -4.53 4.77 0.76 -4.95 117.00 104.82 1avg n LEU 99 Ca 0.21 -0.55 -0.39 0.00 -0.03 0.00 0.00 56.01 55.26 1avg n LEU 99 Cb 0.86 -3.05 -0.03 0.00 -2.33 0.00 0.00 43.42 38.87 1avg n LEU 99 CO 0.18 0.61 0.82 -0.62 -1.33 0.00 0.00 177.39 177.05 1avg s ASP 100 N -3.49 6.77 -1.38 -1.43 2.15 -1.04 -3.29 116.67 114.96 1avg s ASP 100 Ca 0.49 2.29 -0.01 0.00 0.43 0.00 0.00 52.55 55.75 1avg s ASP 100 Cb -0.22 -2.61 0.00 0.00 -0.30 0.00 0.00 42.92 39.79 1avg s ASP 100 CO 0.73 -0.50 0.53 0.54 -0.17 0.00 0.00 175.17 176.31 1avg n ARG 101 N 0.37 -3.93 -2.52 4.34 1.74 -1.26 -1.55 116.66 113.86 1avg n ARG 101 Ca 0.03 0.49 -0.41 0.00 -0.77 0.00 0.00 57.85 57.19 1avg n ARG 101 Cb 0.46 -4.79 -0.01 0.00 -1.02 0.00 0.00 32.46 27.10 1avg n ARG 101 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1avg s ASP 102 N -4.34 6.56 -0.06 0.55 2.15 -1.21 -4.39 116.67 115.94 1avg s ASP 102 Ca 0.02 -2.14 -0.13 0.00 0.43 0.00 0.00 52.55 50.74 1avg s ASP 102 Cb -0.01 -2.58 0.03 0.00 -0.30 0.00 0.00 42.92 40.05 1avg s ASP 102 CO 0.86 -1.45 0.31 -0.51 -0.17 0.00 0.00 175.17 174.20 1avg s ILE 103 N 5.15 0.03 0.00 4.11 2.07 -1.26 -3.70 121.20 127.61 1avg s ILE 103 Ca 0.54 -0.28 -0.06 0.00 -1.41 0.00 0.00 60.65 59.45 1avg s ILE 103 Cb 0.03 -0.53 -0.00 0.00 0.13 0.00 0.00 42.46 42.08 1avg s ILE 103 CO 0.05 -0.15 0.10 0.00 -1.91 0.00 0.00 174.94 173.03 1avg s ALA 104 N -0.66 -0.23 -0.11 1.50 0.00 0.12 -2.97 121.76 119.40 1avg s ALA 104 Ca -0.08 -0.20 0.02 0.00 0.00 0.00 0.00 51.96 51.71 1avg s ALA 104 Cb -0.04 0.10 0.01 0.00 0.00 0.00 0.00 23.12 23.19 1avg s ALA 104 CO 0.02 -0.19 -0.16 -1.17 0.00 0.00 0.00 175.76 174.27 1avg s LEU 105 N -1.30 1.77 -0.07 0.00 2.96 0.10 -1.24 118.68 120.90 1avg s LEU 105 Ca -0.14 -0.44 0.03 0.00 -0.22 0.00 0.00 54.13 53.35 1avg s LEU 105 Cb -0.08 -1.12 -0.02 0.00 0.50 0.00 0.00 46.19 45.47 1avg s LEU 105 CO 0.01 0.03 -0.13 -0.76 -1.32 0.00 0.00 176.35 174.18 1avg s LEU 106 N 0.93 2.79 -0.17 -0.68 1.43 0.37 -0.49 118.68 122.85 1avg s LEU 106 Ca -0.07 -0.20 -0.04 0.00 -1.03 0.00 0.00 54.13 52.79 1avg s LEU 106 Cb -0.15 -1.58 -0.02 0.00 0.03 0.00 0.00 46.19 44.46 1avg s LEU 106 CO -0.01 0.31 -0.03 -0.75 0.23 0.00 0.00 176.35 176.11 1avg s LYS 107 N -0.53 3.63 0.47 1.70 2.20 -0.12 -1.20 119.74 125.88 1avg s LYS 107 Ca 0.07 -0.53 -0.20 0.00 -0.36 0.00 0.00 55.97 54.95 1avg s LYS 107 Cb -0.12 -2.97 -0.09 0.00 -1.51 0.00 0.00 37.83 33.14 1avg s LYS 107 CO 0.02 0.13 0.99 -0.51 -0.36 0.00 0.00 175.35 175.62 1avg s LEU 108 N 0.65 3.85 0.23 5.43 1.02 -0.82 0.21 118.68 129.26 1avg s LEU 108 Ca -0.02 1.77 -0.07 0.00 0.02 0.00 0.00 54.13 55.83 1avg s LEU 108 Cb -0.14 -4.54 0.22 0.00 0.02 0.00 0.00 46.19 41.74 1avg s LEU 108 CO 0.02 -0.57 1.88 0.11 0.02 0.00 0.00 176.35 177.81 1avg h LYS 109 N 1.61 1.25 -3.48 1.70 1.57 -1.17 -3.40 116.57 114.65 1avg h LYS 109 Ca -0.49 -0.12 -0.18 0.00 -1.87 0.00 0.00 60.65 57.99 1avg h LYS 109 Cb 1.20 -0.26 -0.25 0.00 0.08 0.00 0.00 32.23 33.00 1avg h LYS 109 CO 0.60 0.88 -0.56 0.50 -0.57 0.00 0.00 179.45 180.31 1avg s ARG 110 N -5.95 0.25 0.28 3.15 6.06 -1.26 -4.97 118.95 116.50 1avg s ARG 110 Ca -0.13 -0.03 -0.30 0.00 -2.50 0.00 0.00 55.73 52.77 1avg s ARG 110 Cb 0.17 0.11 -0.13 0.00 0.06 0.00 0.00 34.95 35.17 1avg s ARG 110 CO 0.82 -0.05 1.45 -0.35 -2.50 0.00 0.00 175.30 174.68 1avg n PRO 111 N 2.48 2.28 -1.59 5.12 -0.04 -1.26 -4.92 135.00 137.08 1avg n PRO 111 Ca -0.16 0.81 -0.29 0.00 -0.04 0.00 0.00 63.50 63.82 1avg n PRO 111 Cb 0.58 -2.50 0.13 0.00 -0.04 0.00 0.00 33.50 31.67 1avg n PRO 111 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1avg s ILE 112 N -0.23 2.00 -0.33 0.52 -5.25 -0.46 -5.01 121.20 112.43 1avg s ILE 112 Ca 0.64 0.00 -0.14 0.00 -0.99 0.00 0.00 60.65 60.16 1avg s ILE 112 Cb -0.58 -2.78 -0.02 0.00 2.95 0.00 0.00 42.46 42.03 1avg s ILE 112 CO 0.52 0.00 0.31 -1.61 -1.79 0.00 0.00 174.94 172.37 1avg s GLU 113 N -5.33 3.62 0.59 0.37 8.01 -1.26 -4.93 118.70 119.76 1avg s GLU 113 Ca 0.64 -0.43 -0.17 0.00 0.01 0.00 0.00 54.97 55.02 1avg s GLU 113 Cb -0.14 -3.78 -0.04 0.00 -4.31 0.00 0.00 34.13 25.86 1avg s GLU 113 CO 0.53 -0.45 1.08 -0.51 0.01 0.00 0.00 175.26 175.92 1avg s LEU 114 N 1.92 3.55 0.00 1.80 1.43 -1.26 -4.84 118.68 121.28 1avg s LEU 114 Ca 0.10 1.93 0.00 0.00 -1.03 0.00 0.00 54.13 55.13 1avg s LEU 114 Cb -0.17 -4.55 0.00 0.00 0.03 0.00 0.00 46.19 41.51 1avg s LEU 114 CO 0.11 -1.24 0.00 -1.54 0.23 0.00 0.00 176.35 173.91 1avg n SER 115 N -1.87 0.00 0.14 2.29 3.41 -0.62 -4.94 113.62 112.03 1avg n SER 115 Ca 0.10 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 58.84 1avg n SER 115 Cb 0.52 0.00 0.40 0.00 -0.26 0.00 0.00 64.21 64.87 1avg n SER 115 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1avg h ASP 116 N 0.00 0.00 0.00 4.04 3.32 -1.99 -3.24 116.42 118.55 1avg h ASP 116 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1avg h ASP 116 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1avg h ASP 116 CO 0.00 0.00 -1.37 -1.22 -1.72 0.00 0.00 179.24 174.93 1avg n TYR 117 N -2.46 0.00 -4.12 4.55 4.01 -1.26 -4.85 117.16 113.03 1avg n TYR 117 Ca 0.04 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.49 1avg n TYR 117 Cb 0.40 -0.23 -0.17 0.00 -0.31 0.00 0.00 39.34 39.04 1avg n TYR 117 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1avg s ILE 118 N -2.91 1.48 -0.28 -0.72 1.01 -1.22 -4.18 121.20 114.38 1avg s ILE 118 Ca -0.01 -0.59 -0.22 0.00 0.00 0.00 0.00 60.65 59.83 1avg s ILE 118 Cb 0.11 -1.39 0.11 0.00 0.01 0.00 0.00 42.46 41.30 1avg s ILE 118 CO 0.69 0.44 0.92 -2.28 0.00 0.00 0.00 174.94 174.71 1avg s HIS 119 N 1.39 -0.64 0.33 3.97 2.46 -0.24 -1.59 115.29 120.98 1avg s HIS 119 Ca 0.02 1.43 -0.28 0.00 0.47 0.00 0.00 55.06 56.70 1avg s HIS 119 Cb -0.13 0.38 -0.09 0.00 -0.13 0.00 0.00 32.58 32.60 1avg s HIS 119 CO -0.08 -0.31 1.18 -1.25 -2.47 0.00 0.00 174.74 171.81 1avg s PRO 120 N 0.71 4.37 0.38 2.88 0.04 -1.26 -2.71 135.00 139.40 1avg s PRO 120 Ca -0.02 1.94 -0.08 0.00 0.04 0.00 0.00 61.00 62.88 1avg s PRO 120 Cb -0.05 -2.99 -0.06 0.00 0.04 0.00 0.00 34.50 31.45 1avg s PRO 120 CO -0.09 -0.08 0.70 0.54 0.04 0.00 0.00 177.00 178.12 1avg s VAL 121 N -1.24 4.88 0.40 -0.36 0.11 -0.67 -4.97 120.40 118.54 1avg s VAL 121 Ca 0.50 0.39 -0.15 0.00 -2.93 0.00 0.00 61.98 59.79 1avg s VAL 121 Cb -0.34 -3.75 -0.08 0.00 -1.53 0.00 0.00 36.38 30.68 1avg s VAL 121 CO 0.44 -0.49 0.83 0.00 -3.33 0.00 0.00 175.10 172.54 1avg s LEU 123 N -3.48 4.40 0.47 0.00 1.43 -1.26 -1.05 118.68 119.18 1avg s LEU 123 Ca 0.55 0.61 -0.23 0.00 -1.03 0.00 0.00 54.13 54.03 1avg s LEU 123 Cb -0.10 -2.25 -0.09 0.00 0.03 0.00 0.00 46.19 43.78 1avg s LEU 123 CO 0.24 0.35 0.97 -0.81 0.23 0.00 0.00 176.35 177.33 1avg n PRO 124 N 2.13 1.21 -3.50 1.29 -0.04 -1.26 -4.91 135.00 129.93 1avg n PRO 124 Ca -0.17 0.44 -0.20 0.00 -0.04 0.00 0.00 63.50 63.53 1avg n PRO 124 Cb 0.54 -2.06 -0.02 0.00 -0.04 0.00 0.00 33.50 31.92 1avg n PRO 124 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1avg s ASP 125 N -0.87 5.39 0.30 3.54 2.15 -1.26 -4.96 116.67 120.95 1avg s ASP 125 Ca 0.66 -0.52 0.00 0.00 0.43 0.00 0.00 52.55 53.12 1avg s ASP 125 Cb -0.52 -0.80 0.46 0.00 -0.30 0.00 0.00 42.92 41.76 1avg s ASP 125 CO 0.55 -0.56 1.85 0.11 -0.17 0.00 0.00 175.17 176.94 1avg h LYS 126 N 0.98 0.77 0.25 4.34 6.56 -2.00 -2.92 116.57 124.55 1avg h LYS 126 Ca -0.43 -0.15 -0.34 0.00 -1.06 0.00 0.00 60.65 58.68 1avg h LYS 126 Cb 1.26 -0.12 0.03 0.00 -0.57 0.00 0.00 32.23 32.84 1avg h LYS 126 CO 0.54 0.69 -1.51 0.37 -2.06 0.00 0.00 179.45 177.49 1avg h GLN 127 N 0.74 0.52 -0.48 3.15 5.75 -2.03 -3.10 115.11 119.66 1avg h GLN 127 Ca 0.17 -0.89 0.00 0.00 -0.15 0.00 0.00 58.65 57.78 1avg h GLN 127 Cb 0.27 0.33 0.00 0.00 1.07 0.00 0.00 27.48 29.15 1avg h GLN 127 CO -0.00 1.42 0.00 2.41 -2.65 0.00 0.00 178.83 180.01 1avg n THR 128 N -3.70 0.01 0.00 2.39 -1.04 -1.10 -1.13 114.28 109.72 1avg n THR 128 Ca -0.17 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.84 1avg n THR 128 Cb 1.10 -0.14 0.00 0.00 -1.82 0.00 0.00 70.33 69.47 1avg n THR 128 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1avg n ALA 129 N 0.58 0.00 0.21 2.41 0.00 -1.17 -1.41 120.51 121.13 1avg n ALA 129 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 1avg n ALA 129 Cb 0.02 0.00 0.25 0.00 0.00 0.00 0.00 19.45 19.72 1avg n ALA 129 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1avg h LYS 129 N 0.00 0.00 0.00 0.00 1.79 -1.43 -3.39 116.57 113.54 1avg h LYS 129 Ca 0.00 0.00 -0.24 0.00 -2.18 0.00 0.00 60.65 58.23 1avg h LYS 129 Cb 0.00 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 30.60 1avg h LYS 129 CO 0.00 0.13 -1.95 1.28 -1.08 0.00 0.00 179.45 177.83 1avg n LEU 129 N -3.15 0.00 -4.04 2.94 4.77 -0.50 -4.78 117.00 112.23 1avg n LEU 129 Ca 0.03 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.58 1avg n LEU 129 Cb 0.53 0.32 -0.00 0.00 -2.33 0.00 0.00 43.42 41.94 1avg n LEU 129 CO 0.34 0.32 2.41 0.18 -1.33 0.00 0.00 177.39 179.31 1avg n LEU 130 N -2.48 6.08 -3.94 2.23 4.77 -1.26 -4.85 117.00 117.54 1avg n LEU 130 Ca -0.21 -4.02 -0.23 0.00 -0.03 0.00 0.00 56.01 51.51 1avg n LEU 130 Cb 0.92 -1.68 -0.17 0.00 -2.33 0.00 0.00 43.42 40.16 1avg n LEU 130 CO 0.30 0.70 -0.43 -2.28 -1.33 0.00 0.00 177.39 174.35 1avg s HIS 131 N 3.70 1.12 -0.35 -1.77 2.46 -1.26 -4.98 115.29 114.20 1avg s HIS 131 Ca 0.50 -0.40 -0.40 0.00 0.47 0.00 0.00 55.06 55.23 1avg s HIS 131 Cb 0.10 -0.91 -0.15 0.00 -0.13 0.00 0.00 32.58 31.50 1avg s HIS 131 CO -0.02 -0.28 1.95 0.00 -2.47 0.00 0.00 174.74 173.93 1avg n ALA 132 N 4.15 0.25 0.00 1.58 0.00 -1.26 -1.21 120.51 124.01 1avg n ALA 132 Ca -0.21 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1avg n ALA 132 Cb 0.51 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.67 1avg n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1avg n GLY 133 N 5.54 3.44 3.77 0.00 0.00 0.11 -4.95 105.19 113.11 1avg n GLY 133 Ca 0.37 -1.06 -0.40 0.00 0.00 0.00 0.00 46.02 44.92 1avg n GLY 133 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1avg s PHE 134 N 0.00 2.84 0.33 1.61 0.40 -0.35 -4.44 117.98 118.37 1avg s PHE 134 Ca 0.00 1.37 0.03 0.00 -0.60 0.00 0.00 56.93 57.73 1avg s PHE 134 Cb 0.00 -3.74 -0.02 0.00 0.51 0.00 0.00 43.02 39.77 1avg s PHE 134 CO 0.00 -2.19 0.49 0.15 0.70 0.00 0.00 175.22 174.37 1avg s LYS 135 N -2.08 3.34 0.29 0.44 1.02 -1.26 0.12 119.74 121.61 1avg s LYS 135 Ca 0.54 -0.62 0.03 0.00 0.02 0.00 0.00 55.97 55.94 1avg s LYS 135 Cb -0.40 -2.75 -0.04 0.00 -0.52 0.00 0.00 37.83 34.12 1avg s LYS 135 CO 0.53 0.16 0.17 0.20 -0.92 0.00 0.00 175.35 175.48 1avg s GLY 136 N -4.07 2.00 -0.02 -3.33 0.00 0.11 -4.80 107.32 97.20 1avg s GLY 136 Ca 0.40 -1.79 0.07 0.00 0.00 0.00 0.00 44.72 43.40 1avg s GLY 136 CO 0.33 -1.54 -0.22 -1.60 0.00 0.00 0.00 173.10 170.07 1avg s ARG 137 N -3.82 1.83 -0.04 2.90 3.52 0.97 -0.25 118.95 124.05 1avg s ARG 137 Ca 0.37 -0.79 0.05 0.00 -0.13 0.00 0.00 55.73 55.23 1avg s ARG 137 Cb 0.05 -1.75 -0.01 0.00 -1.56 0.00 0.00 34.95 31.68 1avg s ARG 137 CO 0.18 0.47 -0.20 0.08 -0.81 0.00 0.00 175.30 175.02 1avg s VAL 138 N -0.50 1.63 0.04 7.11 1.01 -0.27 -1.39 120.40 128.03 1avg s VAL 138 Ca 0.08 -0.84 0.04 0.00 0.00 0.00 0.00 61.98 61.26 1avg s VAL 138 Cb -0.09 -1.38 -0.02 0.00 0.00 0.00 0.00 36.38 34.89 1avg s VAL 138 CO -0.01 0.46 -0.12 0.42 0.00 0.00 0.00 175.10 175.85 1avg s THR 139 N -0.11 0.95 0.00 3.92 -4.23 -1.26 -1.94 115.64 112.98 1avg s THR 139 Ca -0.02 -0.97 0.00 0.00 -1.18 0.00 0.00 61.69 59.52 1avg s THR 139 Cb -0.11 -0.89 0.00 0.00 1.34 0.00 0.00 72.50 72.84 1avg s THR 139 CO 0.02 -0.07 0.00 0.61 -0.54 0.00 0.00 174.62 174.64 1avg n GLY 140 N 1.86 0.61 1.25 3.99 0.00 -1.10 -4.68 105.19 107.12 1avg n GLY 140 Ca -0.19 -0.85 -0.03 0.00 0.00 0.00 0.00 46.02 44.95 1avg n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1avg n TRP 141 N -0.15 1.34 -2.19 1.61 8.01 -1.26 -2.26 117.44 122.53 1avg n TRP 141 Ca 0.00 -1.41 -0.28 0.00 -1.31 0.00 0.00 57.50 54.50 1avg n TRP 141 Cb 0.00 -0.51 0.17 0.00 -2.01 0.00 0.00 31.31 28.96 1avg n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1avg s GLY 142 N -2.16 1.78 0.42 6.99 0.00 -1.25 -4.71 107.32 108.40 1avg s GLY 142 Ca 0.46 -1.47 -0.24 0.00 0.00 0.00 0.00 44.72 43.47 1avg s GLY 142 CO 0.04 -0.74 1.07 0.70 0.00 0.00 0.00 173.10 174.16 1avg n ASN 143 N -3.46 1.53 -0.35 1.64 5.03 -0.52 -2.21 115.26 116.92 1avg n ASN 143 Ca 0.16 1.05 0.14 0.00 0.87 0.00 0.00 54.58 56.80 1avg n ASN 143 Cb 0.60 -1.38 0.53 0.00 -1.02 0.00 0.00 39.78 38.50 1avg n ASN 143 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1avg n ARG 144 N 0.10 1.31 -3.57 3.52 1.74 0.36 0.19 116.66 120.31 1avg n ARG 144 Ca 0.09 -0.70 -0.13 0.00 -0.77 0.00 0.00 57.85 56.34 1avg n ARG 144 Cb 0.39 -1.49 -0.06 0.00 -1.02 0.00 0.00 32.46 30.29 1avg n ARG 144 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1avg s ARG 145 N -2.17 0.72 0.57 5.56 3.52 -1.26 -4.32 118.95 121.58 1avg s ARG 145 Ca 0.34 0.27 0.27 0.00 -0.13 0.00 0.00 55.73 56.48 1avg s ARG 145 Cb 0.21 0.34 1.69 0.00 -1.56 0.00 0.00 34.95 35.63 1avg s ARG 145 CO 0.40 -0.21 2.22 1.49 -0.81 0.00 0.00 175.30 178.39 1avg h GLU 146 N 2.99 0.00 -4.62 5.12 4.81 -1.91 -3.46 114.58 117.52 1avg h GLU 146 Ca -0.22 0.00 -0.39 0.00 -0.13 0.00 0.00 59.36 58.62 1avg h GLU 146 Cb 1.16 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 30.42 1avg h GLU 146 CO 0.30 0.00 -0.39 0.95 -0.73 0.00 0.00 179.01 179.13 1avg s THR 147 N -4.73 0.00 0.00 0.32 -4.23 -1.26 -4.99 115.64 100.75 1avg s THR 147 Ca -0.05 -1.86 0.00 0.00 -1.18 0.00 0.00 61.69 58.60 1avg s THR 147 Cb 0.16 -2.55 0.00 0.00 1.34 0.00 0.00 72.50 71.45 1avg s THR 147 CO 0.58 0.00 0.00 -2.67 -0.54 0.00 0.00 174.62 171.99 1avg n TRP 148 N -0.58 0.00 -0.19 3.99 2.14 -1.26 -4.81 117.44 116.72 1avg n TRP 148 Ca 0.05 0.00 -0.04 0.00 2.07 0.00 0.00 57.50 59.57 1avg n TRP 148 Cb 0.62 0.00 -0.04 0.00 -0.81 0.00 0.00 31.31 31.08 1avg n TRP 148 CO 0.00 0.00 0.00 2.41 2.07 0.00 0.00 177.69 182.17 1avg n THR 149 N 0.00 -0.31 -4.14 -1.67 -1.04 -1.26 -4.98 114.28 100.88 1avg n THR 149 Ca 0.00 1.12 -0.12 0.00 -2.04 0.00 0.00 64.05 63.01 1avg n THR 149 Cb 0.00 -1.40 -0.11 0.00 -1.82 0.00 0.00 70.33 67.01 1avg n THR 149 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1avg s SER 149 N -5.22 1.13 0.61 8.00 1.04 -1.26 -5.02 113.70 112.98 1avg s SER 149 Ca -0.06 -0.85 0.35 0.00 0.48 0.00 0.00 55.95 55.87 1avg s SER 149 Cb 0.06 0.06 2.00 0.00 0.10 0.00 0.00 66.02 68.24 1avg s SER 149 CO 0.29 -0.36 2.27 1.62 0.98 0.00 0.00 173.24 178.05 1avg h VAL 149 N 3.46 0.33 -0.94 5.02 3.04 -1.97 -2.24 116.25 122.95 1avg h VAL 149 Ca -0.36 -0.07 0.20 0.00 -1.01 0.00 0.00 66.70 65.47 1avg h VAL 149 Cb 1.18 1.05 -0.08 0.00 -2.01 0.00 0.00 31.29 31.43 1avg h VAL 149 CO 0.56 0.01 0.61 0.00 -1.01 0.00 0.00 177.57 177.75 1avg h ALA 149 N 1.99 2.09 -0.50 3.17 0.00 -1.95 0.20 119.26 124.25 1avg h ALA 149 Ca -0.00 0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.97 1avg h ALA 149 Cb 0.05 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1avg h ALA 149 CO 0.00 -0.40 0.33 0.93 0.00 0.00 0.00 179.25 180.12 1avg h GLU 149 N 0.49 0.57 -0.00 0.00 5.08 -1.82 -2.80 114.58 116.10 1avg h GLU 149 Ca 0.50 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.83 1avg h GLU 149 Cb 1.13 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.25 1avg h GLU 149 CO -0.23 0.38 -0.98 1.33 -1.00 0.00 0.00 179.01 178.51 1avg n VAL 150 N -4.47 0.00 -2.83 3.13 0.24 -0.01 -4.93 118.33 109.46 1avg n VAL 150 Ca 0.05 -0.01 -0.41 0.00 -2.04 0.00 0.00 64.34 61.93 1avg n VAL 150 Cb 0.13 1.00 -0.04 0.00 -1.47 0.00 0.00 33.84 33.46 1avg n VAL 150 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1avg s GLN 151 N -2.98 4.50 0.78 7.34 -0.21 -0.78 -0.49 119.66 127.81 1avg s GLN 151 Ca 0.08 1.22 -0.10 0.00 0.02 0.00 0.00 55.36 56.58 1avg s GLN 151 Cb 0.16 -3.47 0.08 0.00 1.00 0.00 0.00 33.01 30.78 1avg s GLN 151 CO 0.86 -0.04 1.13 -1.25 -2.12 0.00 0.00 175.29 173.86 1avg s PRO 152 N 1.06 1.99 -0.18 2.91 0.04 -1.26 -4.96 135.00 134.60 1avg s PRO 152 Ca 0.46 -0.05 0.14 0.00 0.04 0.00 0.00 61.00 61.59 1avg s PRO 152 Cb -0.20 -2.03 -0.21 0.00 0.04 0.00 0.00 34.50 32.11 1avg s PRO 152 CO 0.23 -1.50 0.02 -1.13 0.04 0.00 0.00 177.00 174.67 1avg n SER 153 N -3.19 0.81 -4.51 6.66 3.41 -1.26 -4.82 113.62 110.72 1avg n SER 153 Ca 0.08 -0.02 -0.28 0.00 -0.26 0.00 0.00 58.87 58.39 1avg n SER 153 Cb 0.61 0.76 -0.09 0.00 -0.26 0.00 0.00 64.21 65.22 1avg n SER 153 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1avg s VAL 154 N -2.44 1.18 0.23 -3.33 -7.23 -1.26 -1.04 120.40 106.51 1avg s VAL 154 Ca -0.12 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 57.75 1avg s VAL 154 Cb 0.06 -2.48 -0.10 0.00 0.56 0.00 0.00 36.38 34.42 1avg s VAL 154 CO 0.71 0.00 1.41 -0.22 -0.31 0.00 0.00 175.10 176.69 1avg s LEU 155 N -3.71 4.39 0.19 1.32 2.96 -0.03 -4.82 118.68 118.98 1avg s LEU 155 Ca 0.22 2.59 0.05 0.00 -0.22 0.00 0.00 54.13 56.77 1avg s LEU 155 Cb 0.05 -3.62 -0.04 0.00 0.50 0.00 0.00 46.19 43.08 1avg s LEU 155 CO 0.11 -0.66 0.21 -1.10 -1.32 0.00 0.00 176.35 173.59 1avg s GLN 156 N -0.24 3.08 -0.02 1.98 -1.52 -0.96 -0.50 119.66 121.48 1avg s GLN 156 Ca 0.59 -0.85 0.00 0.00 -1.95 0.00 0.00 55.36 53.16 1avg s GLN 156 Cb -0.40 -2.72 0.02 0.00 -0.22 0.00 0.00 33.01 29.69 1avg s GLN 156 CO 0.41 0.46 0.00 0.54 -0.25 0.00 0.00 175.29 176.46 1avg s VAL 157 N -1.87 0.12 0.00 1.09 0.11 -0.19 -2.70 120.40 116.96 1avg s VAL 157 Ca 0.33 0.06 0.00 0.00 -2.93 0.00 0.00 61.98 59.44 1avg s VAL 157 Cb -0.10 -0.19 -0.00 0.00 -1.53 0.00 0.00 36.38 34.56 1avg s VAL 157 CO 0.25 0.10 -0.01 0.54 -3.33 0.00 0.00 175.10 172.66 1avg s VAL 158 N 0.73 0.03 -0.22 2.04 0.11 -0.82 -1.57 120.40 120.71 1avg s VAL 158 Ca -0.07 -0.15 -0.04 0.00 -2.93 0.00 0.00 61.98 58.79 1avg s VAL 158 Cb -0.10 -0.06 -0.01 0.00 -1.53 0.00 0.00 36.38 34.68 1avg s VAL 158 CO -0.02 -0.07 -0.03 0.20 -3.33 0.00 0.00 175.10 171.86 1avg s ASN 159 N -0.23 4.47 0.01 3.54 0.01 -1.26 -1.11 114.94 120.36 1avg s ASN 159 Ca -0.02 -0.34 0.08 0.00 -0.71 0.00 0.00 52.86 51.87 1avg s ASN 159 Cb -0.02 -1.77 -0.02 0.00 0.41 0.00 0.00 41.25 39.85 1avg s ASN 159 CO -0.00 -0.00 -0.25 -0.76 -1.51 0.00 0.00 177.10 174.57 1avg s LEU 160 N 1.38 2.17 0.37 0.60 1.43 0.66 -4.88 118.68 120.41 1avg s LEU 160 Ca 0.05 -0.50 -0.14 0.00 -1.03 0.00 0.00 54.13 52.51 1avg s LEU 160 Cb -0.14 -1.34 -0.08 0.00 0.03 0.00 0.00 46.19 44.66 1avg s LEU 160 CO -0.01 0.29 0.77 -2.16 0.23 0.00 0.00 176.35 175.47 1avg s PRO 161 N -0.93 3.93 0.24 1.29 0.04 -1.26 0.04 135.00 138.34 1avg s PRO 161 Ca 0.11 0.63 -0.30 0.00 0.04 0.00 0.00 61.00 61.49 1avg s PRO 161 Cb -0.10 -2.39 -0.09 0.00 0.04 0.00 0.00 34.50 31.96 1avg s PRO 161 CO 0.01 0.05 1.11 -0.51 0.04 0.00 0.00 177.00 177.70 1avg s LEU 162 N -3.38 4.52 0.15 -3.56 1.43 0.12 -2.11 118.68 115.85 1avg s LEU 162 Ca 0.54 2.21 0.07 0.00 -1.03 0.00 0.00 54.13 55.92 1avg s LEU 162 Cb -0.10 -3.62 -0.04 0.00 0.03 0.00 0.00 46.19 42.46 1avg s LEU 162 CO 0.23 -0.19 -0.04 -0.69 0.23 0.00 0.00 176.35 175.90 1avg s VAL 163 N -0.78 3.60 0.34 -1.59 1.01 -1.12 0.09 120.40 121.94 1avg s VAL 163 Ca 0.47 -1.38 -0.28 0.00 0.00 0.00 0.00 61.98 60.79 1avg s VAL 163 Cb -0.31 -2.77 -0.10 0.00 0.00 0.00 0.00 36.38 33.20 1avg s VAL 163 CO 0.39 -0.04 1.22 -1.83 0.00 0.00 0.00 175.10 174.83 1avg s GLU 164 N -2.71 4.35 0.27 2.72 1.03 -1.26 -4.72 118.70 118.39 1avg s GLU 164 Ca 0.26 2.01 0.01 0.00 0.03 0.00 0.00 54.97 57.28 1avg s GLU 164 Cb -0.10 -3.00 0.62 0.00 -0.80 0.00 0.00 34.13 30.86 1avg s GLU 164 CO 0.17 -0.12 1.72 -0.09 -1.33 0.00 0.00 175.26 175.61 1avg h ARG 165 N 3.30 0.45 -0.74 -4.83 2.43 -1.99 -0.92 114.38 112.08 1avg h ARG 165 Ca -0.48 -0.03 0.05 0.00 -0.81 0.00 0.00 59.98 58.71 1avg h ARG 165 Cb 1.22 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 30.63 1avg h ARG 165 CO 0.65 0.30 0.49 -1.35 -1.51 0.00 0.00 179.97 178.55 1avg h PRO 166 N 0.47 0.82 -0.22 0.20 0.11 -1.99 0.11 132.00 131.50 1avg h PRO 166 Ca 0.51 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 66.49 1avg h PRO 166 Cb 0.87 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 31.79 1avg h PRO 166 CO -0.46 0.54 -0.15 0.28 -0.21 0.00 0.00 178.00 178.00 1avg h VAL 167 N 0.85 1.31 -0.89 3.15 2.07 -1.57 -1.14 116.25 120.03 1avg h VAL 167 Ca 0.31 -1.26 0.04 0.00 0.82 0.00 0.00 66.70 66.61 1avg h VAL 167 Cb 0.14 1.66 -0.05 0.00 -1.52 0.00 0.00 31.29 31.52 1avg h VAL 167 CO -0.10 0.39 0.58 0.00 0.02 0.00 0.00 177.57 178.46 1avg h LYS 169 N 1.08 0.35 -0.00 0.00 1.57 -0.68 -3.15 116.57 115.74 1avg h LYS 169 Ca 0.36 -0.26 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1avg h LYS 169 Cb 0.08 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.43 1avg h LYS 169 CO -0.12 0.89 -0.08 0.00 -0.57 0.00 0.00 179.45 179.57 1avg n ALA 170 N -2.49 2.63 1.05 3.86 0.00 -0.45 -3.51 120.51 121.60 1avg n ALA 170 Ca -0.03 -0.19 0.12 0.00 0.00 0.00 0.00 53.44 53.34 1avg n ALA 170 Cb 0.66 -1.41 0.25 0.00 0.00 0.00 0.00 19.45 18.96 1avg n ALA 170 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1avg n SER 171 N -1.25 0.67 -4.18 0.00 3.41 -0.67 -4.96 113.62 106.64 1avg n SER 171 Ca 0.12 -0.45 -0.11 0.00 -0.26 0.00 0.00 58.87 58.17 1avg n SER 171 Cb 0.28 0.28 -0.10 0.00 -0.26 0.00 0.00 64.21 64.41 1avg n SER 171 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1avg s THR 172 N -2.88 0.35 -0.61 6.66 -4.23 -1.23 -4.89 115.64 108.80 1avg s THR 172 Ca 0.14 -1.93 0.14 0.00 -1.18 0.00 0.00 61.69 58.86 1avg s THR 172 Cb 0.18 -2.03 0.46 0.00 1.34 0.00 0.00 72.50 72.45 1avg s THR 172 CO 0.67 -0.52 1.38 0.54 -0.54 0.00 0.00 174.62 176.16 1avg n ARG 173 N -0.14 3.04 -4.01 3.99 1.74 -1.26 -4.95 116.66 115.07 1avg n ARG 173 Ca -0.07 -2.52 -0.34 0.00 -0.77 0.00 0.00 57.85 54.15 1avg n ARG 173 Cb 0.63 -1.61 -0.06 0.00 -1.02 0.00 0.00 32.46 30.39 1avg n ARG 173 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1avg s ILE 174 N -1.94 5.11 -0.03 0.55 1.01 -1.26 -5.06 121.20 119.58 1avg s ILE 174 Ca 0.35 -0.15 -0.30 0.00 0.00 0.00 0.00 60.65 60.55 1avg s ILE 174 Cb 0.25 -3.31 -0.06 0.00 0.01 0.00 0.00 42.46 39.35 1avg s ILE 174 CO 0.14 0.44 1.69 -0.13 0.00 0.00 0.00 174.94 177.08 1avg s ARG 175 N -1.53 4.18 -0.10 2.79 0.52 -1.26 -5.01 118.95 118.54 1avg s ARG 175 Ca 0.21 2.25 -0.10 0.00 -0.52 0.00 0.00 55.73 57.57 1avg s ARG 175 Cb -0.12 -3.99 -0.05 0.00 0.52 0.00 0.00 34.95 31.32 1avg s ARG 175 CO 0.12 -0.85 0.23 0.42 0.02 0.00 0.00 175.30 175.23 1avg s ILE 176 N 4.00 5.35 0.40 1.52 -1.09 -1.26 -4.87 121.20 125.25 1avg s ILE 176 Ca 0.75 0.41 0.07 0.00 -2.23 0.00 0.00 60.65 59.65 1avg s ILE 176 Cb -0.35 -3.52 -0.08 0.00 -1.58 0.00 0.00 42.46 36.94 1avg s ILE 176 CO 0.31 0.56 0.01 0.42 -1.23 0.00 0.00 174.94 175.01 1avg s THR 177 N -0.72 1.94 0.24 2.92 -4.23 -1.26 -5.02 115.64 109.52 1avg s THR 177 Ca 0.17 -2.01 0.36 0.00 -1.18 0.00 0.00 61.69 59.03 1avg s THR 177 Cb -0.13 -2.97 0.37 0.00 1.34 0.00 0.00 72.50 71.11 1avg s THR 177 CO 0.06 -0.01 2.08 0.44 -0.54 0.00 0.00 174.62 176.65 1avg h ASP 178 N 1.81 0.00 -0.16 3.99 3.32 -2.03 -2.30 116.42 121.04 1avg h ASP 178 Ca -0.44 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.61 1avg h ASP 178 Cb 1.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.79 1avg h ASP 178 CO 0.80 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.91 1avg n ASN 179 N -2.86 2.31 -3.69 6.45 3.02 -1.26 -4.80 115.26 114.42 1avg n ASN 179 Ca -0.01 -2.26 -0.12 0.00 -0.03 0.00 0.00 54.58 52.16 1avg n ASN 179 Cb 0.15 -0.54 -0.06 0.00 -0.61 0.00 0.00 39.78 38.71 1avg n ASN 179 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1avg s MET 180 N -1.51 0.90 0.07 3.52 0.23 -0.87 -1.39 119.30 120.25 1avg s MET 180 Ca 0.15 -0.47 -0.05 0.00 -1.03 0.00 0.00 55.69 54.29 1avg s MET 180 Cb 0.12 0.40 -0.02 0.00 -1.53 0.00 0.00 34.83 33.80 1avg s MET 180 CO 0.05 -0.31 0.09 -0.59 -2.03 0.00 0.00 175.02 172.23 1avg s PHE 181 N -2.71 0.30 0.22 3.16 -0.12 -0.34 -4.79 117.98 113.70 1avg s PHE 181 Ca -0.04 -0.75 0.12 0.00 -0.05 0.00 0.00 56.93 56.21 1avg s PHE 181 Cb -0.00 -0.20 -0.05 0.00 -0.63 0.00 0.00 43.02 42.15 1avg s PHE 181 CO -0.04 -0.45 -0.23 0.00 -0.05 0.00 0.00 175.22 174.45 1avg s ALA 183 N -1.90 -0.23 0.00 0.00 0.00 -0.49 -2.81 121.76 116.33 1avg s ALA 183 Ca 0.23 -0.45 0.00 0.00 0.00 0.00 0.00 51.96 51.74 1avg s ALA 183 Cb -0.07 0.32 0.00 0.00 0.00 0.00 0.00 23.12 23.37 1avg s ALA 183 CO 0.11 -0.38 0.00 0.41 0.00 0.00 0.00 175.76 175.90 1avg n GLY 184 N 0.53 2.44 3.78 0.00 0.00 -0.90 -1.98 105.19 109.06 1avg n GLY 184 Ca -0.18 -1.53 -0.39 0.00 0.00 0.00 0.00 46.02 43.92 1avg n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1avg s TYR 184 N -1.91 3.84 0.55 1.61 2.02 -1.26 -4.56 117.35 117.64 1avg s TYR 184 Ca 0.00 1.49 -0.18 0.00 -0.37 0.00 0.00 57.07 58.01 1avg s TYR 184 Cb 0.00 -2.70 -0.06 0.00 -0.40 0.00 0.00 41.96 38.81 1avg s TYR 184 CO 0.00 0.48 1.06 0.15 -1.57 0.00 0.00 175.55 175.67 1avg s LYS 185 N -0.88 3.48 0.52 -0.62 1.02 -1.26 -4.75 119.74 117.25 1avg s LYS 185 Ca 0.34 1.33 0.25 0.00 0.02 0.00 0.00 55.97 57.91 1avg s LYS 185 Cb -0.21 -2.05 1.37 0.00 -0.52 0.00 0.00 37.83 36.42 1avg s LYS 185 CO 0.23 -0.69 1.96 -1.00 -0.92 0.00 0.00 175.35 174.93 1avg h PRO 186 N 0.95 0.05 0.00 -1.68 0.13 -1.96 -1.46 132.00 128.03 1avg h PRO 186 Ca -0.48 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1avg h PRO 186 Cb 1.23 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1avg h PRO 186 CO 0.58 0.03 0.00 0.41 -0.23 0.00 0.00 178.00 178.79 1avg n GLY 186 N -1.64 -1.09 3.71 1.56 0.00 -1.26 -4.68 105.19 101.77 1avg n GLY 186 Ca 0.12 -0.08 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 1avg n GLY 186 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1avg s GLU 186 N -2.86 4.21 0.00 1.61 2.02 -0.55 -4.96 118.70 118.16 1avg s GLU 186 Ca 0.13 0.03 0.00 0.00 0.02 0.00 0.00 54.97 55.14 1avg s GLU 186 Cb 0.13 -3.47 0.00 0.00 0.10 0.00 0.00 34.13 30.89 1avg s GLU 186 CO 0.34 0.16 0.41 0.41 0.02 0.00 0.00 175.26 176.60 1avg n GLY 186 N 3.65 0.79 3.26 -1.39 0.00 -1.26 -4.71 105.19 105.53 1avg n GLY 186 Ca -0.12 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.76 1avg n GLY 186 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1avg s LYS 186 N 0.80 1.25 0.25 1.61 1.02 -1.26 -5.17 119.74 118.23 1avg s LYS 186 Ca 0.00 -1.65 -0.20 0.00 0.02 0.00 0.00 55.97 54.15 1avg s LYS 186 Cb 0.00 -0.13 0.02 0.00 -0.52 0.00 0.00 37.83 37.20 1avg s LYS 186 CO 0.00 -0.26 0.65 -0.98 -0.92 0.00 0.00 175.35 173.84 1avg s ARG 187 N -4.02 1.66 0.00 1.68 1.70 -1.26 -4.77 118.95 113.93 1avg s ARG 187 Ca 0.33 -0.97 0.00 0.00 -0.47 0.00 0.00 55.73 54.62 1avg s ARG 187 Cb 0.07 0.58 0.00 0.00 -0.57 0.00 0.00 34.95 35.03 1avg s ARG 187 CO 0.09 -0.74 0.00 0.41 -1.08 0.00 0.00 175.30 173.98 1avg n GLY 188 N -0.43 3.56 3.70 3.88 0.00 -1.26 -4.85 105.19 109.79 1avg n GLY 188 Ca -0.06 -0.59 -0.04 0.00 0.00 0.00 0.00 46.02 45.33 1avg n GLY 188 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1avg s ASP 189 N 0.00 -0.20 0.42 1.61 2.15 -0.81 -4.64 116.67 115.20 1avg s ASP 189 Ca 0.00 -0.31 -0.01 0.00 0.43 0.00 0.00 52.55 52.66 1avg s ASP 189 Cb 0.00 0.44 -0.02 0.00 -0.30 0.00 0.00 42.92 43.04 1avg s ASP 189 CO 0.00 -0.80 0.65 0.00 -0.17 0.00 0.00 175.17 174.84 1avg s ALA 190 N -3.19 3.66 0.04 3.66 0.00 -1.26 -0.30 121.76 124.36 1avg s ALA 190 Ca 0.11 -0.89 -0.00 0.00 0.00 0.00 0.00 51.96 51.18 1avg s ALA 190 Cb -0.01 -2.22 0.00 0.00 0.00 0.00 0.00 23.12 20.89 1avg s ALA 190 CO -0.00 -0.24 0.05 0.00 0.00 0.00 0.00 175.76 175.56 1avg n GLU 192 N -0.06 2.83 0.00 0.00 4.71 -1.26 -2.09 120.64 124.77 1avg n GLU 192 Ca 0.00 1.03 0.00 0.00 -0.01 0.00 0.00 57.16 58.18 1avg n GLU 192 Cb 0.06 -3.02 0.00 0.00 -1.01 0.00 0.00 31.44 27.47 1avg n GLU 192 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1avg n GLY 193 N 4.61 0.91 0.08 0.62 0.00 -1.26 -1.44 105.19 108.71 1avg n GLY 193 Ca 0.21 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.28 1avg n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1avg n ASP 194 N 0.00 0.78 0.00 1.61 8.00 -0.89 -3.76 116.55 122.29 1avg n ASP 194 Ca 0.00 -0.89 0.00 0.00 0.71 0.00 0.00 54.79 54.61 1avg n ASP 194 Cb 0.00 0.85 0.00 0.00 -0.02 0.00 0.00 41.12 41.95 1avg n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1avg n SER 195 N -0.98 0.00 0.00 -2.24 7.64 -1.26 -1.04 113.62 115.74 1avg n SER 195 Ca 0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.91 1avg n SER 195 Cb 0.20 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.40 1avg n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1avg n GLY 196 N -0.36 0.73 3.61 0.23 0.00 -1.23 -4.07 105.19 104.11 1avg n GLY 196 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1avg n GLY 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1avg n GLY 197 N 0.38 -0.43 3.81 -0.02 0.00 -0.21 -3.69 105.19 105.04 1avg n GLY 197 Ca 0.00 -0.30 -0.36 0.00 0.00 0.00 0.00 46.02 45.36 1avg n GLY 197 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1avg s PRO 198 N -3.23 4.32 -0.37 1.61 0.04 -1.26 -1.73 135.00 134.39 1avg s PRO 198 Ca 0.74 1.02 -0.07 0.00 0.04 0.00 0.00 61.00 62.73 1avg s PRO 198 Cb -0.36 -2.72 0.06 0.00 0.04 0.00 0.00 34.50 31.52 1avg s PRO 198 CO 0.50 0.28 0.16 0.12 0.04 0.00 0.00 177.00 178.09 1avg s PHE 199 N -1.68 3.30 0.29 0.56 2.19 -0.28 -4.14 117.98 118.23 1avg s PHE 199 Ca 0.49 -1.52 0.09 0.00 0.33 0.00 0.00 56.93 56.32 1avg s PHE 199 Cb -0.16 -2.55 -0.04 0.00 -1.31 0.00 0.00 43.02 38.96 1avg s PHE 199 CO 0.21 -0.78 0.04 0.14 1.83 0.00 0.00 175.22 176.65 1avg s VAL 200 N 1.39 3.23 -0.01 3.12 -7.23 -0.49 -0.15 120.40 120.28 1avg s VAL 200 Ca 0.01 -1.87 0.00 0.00 -1.81 0.00 0.00 61.98 58.31 1avg s VAL 200 Cb -0.21 -2.87 0.01 0.00 0.56 0.00 0.00 36.38 33.87 1avg s VAL 200 CO 0.02 -0.30 0.00 -0.04 -0.31 0.00 0.00 175.10 174.47 1avg s MET 201 N -3.72 0.02 -0.19 4.82 -1.94 -0.34 -0.02 119.30 117.92 1avg s MET 201 Ca 0.33 0.04 -0.19 0.00 -1.71 0.00 0.00 55.69 54.16 1avg s MET 201 Cb -0.05 -0.10 -0.03 0.00 2.01 0.00 0.00 34.83 36.67 1avg s MET 201 CO 0.21 -0.04 0.55 0.21 -0.01 0.00 0.00 175.02 175.94 1avg s LYS 202 N 0.28 4.21 -0.04 2.03 2.20 -1.26 -1.38 119.74 125.78 1avg s LYS 202 Ca -0.02 0.49 -0.30 0.00 -0.36 0.00 0.00 55.97 55.77 1avg s LYS 202 Cb -0.04 -3.56 -0.04 0.00 -1.51 0.00 0.00 37.83 32.69 1avg s LYS 202 CO -0.01 -0.16 1.24 0.45 -0.36 0.00 0.00 175.35 176.52 1avg s SER 203 N 1.13 7.01 0.50 1.43 0.15 -0.30 -4.92 113.70 118.70 1avg s SER 203 Ca 0.26 1.89 0.32 0.00 0.70 0.00 0.00 55.95 59.11 1avg s SER 203 Cb -0.16 -2.56 1.26 0.00 -1.71 0.00 0.00 66.02 62.86 1avg s SER 203 CO 0.10 -0.61 1.93 -0.65 1.20 0.00 0.00 173.24 175.21 1avg h PRO 204 N 7.52 0.00 0.06 5.44 0.11 -1.96 0.12 132.00 143.29 1avg h PRO 204 Ca -0.35 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.64 1avg h PRO 204 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1avg h PRO 204 CO 0.88 0.00 -0.59 1.88 -0.21 0.00 0.00 178.00 179.96 1avg h TYR 204 N 0.00 0.25 0.00 0.65 0.05 -1.97 -3.41 116.97 112.53 1avg h TYR 204 Ca 0.00 -0.18 0.00 0.00 0.05 0.00 0.00 58.73 58.60 1avg h TYR 204 Cb 0.52 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.25 1avg h TYR 204 CO 0.00 1.23 0.00 0.27 -1.05 0.00 0.00 178.16 178.61 1avg n ASN 204 N -4.34 1.17 -1.22 3.88 6.94 -1.22 -5.02 115.26 115.46 1avg n ASN 204 Ca -0.16 -1.32 -0.15 0.00 -0.02 0.00 0.00 54.58 52.94 1avg n ASN 204 Cb 0.67 0.00 -0.05 0.00 -2.36 0.00 0.00 39.78 38.04 1avg n ASN 204 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 1avg n ASN 205 N -0.16 -4.71 -4.73 0.53 4.13 0.41 -5.00 115.26 105.72 1avg n ASN 205 Ca 0.00 0.30 -0.33 0.00 1.68 0.00 0.00 54.58 56.23 1avg n ASN 205 Cb 0.13 -3.56 -0.08 0.00 -1.54 0.00 0.00 39.78 34.73 1avg n ASN 205 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 1avg s ARG 206 N -3.50 2.95 -0.16 3.52 0.52 -1.25 -4.80 118.95 116.22 1avg s ARG 206 Ca 0.00 -0.52 -0.24 0.00 -0.52 0.00 0.00 55.73 54.45 1avg s ARG 206 Cb 0.00 -2.78 -0.02 0.00 0.52 0.00 0.00 34.95 32.67 1avg s ARG 206 CO 0.00 0.65 0.76 -1.58 0.02 0.00 0.00 175.30 175.14 1avg s TRP 207 N -1.12 3.43 -0.05 -0.53 0.52 -1.26 -1.15 118.94 118.78 1avg s TRP 207 Ca 0.20 1.16 0.03 0.00 0.02 0.00 0.00 56.10 57.52 1avg s TRP 207 Cb -0.12 -2.92 -0.03 0.00 -1.15 0.00 0.00 33.47 29.25 1avg s TRP 207 CO 0.11 -0.17 -0.12 0.71 0.02 0.00 0.00 176.95 177.49 1avg s TYR 208 N 1.89 2.75 -0.33 -1.98 1.51 -0.48 -1.53 117.35 119.19 1avg s TYR 208 Ca 0.36 -0.12 -0.22 0.00 -1.01 0.00 0.00 57.07 56.08 1avg s TYR 208 Cb -0.17 -1.64 -0.00 0.00 -0.11 0.00 0.00 41.96 40.05 1avg s TYR 208 CO 0.13 0.23 0.70 -1.14 -1.11 0.00 0.00 175.55 174.35 1avg s GLN 209 N -0.82 3.84 -0.07 -0.62 0.74 -0.22 -1.20 119.66 121.32 1avg s GLN 209 Ca 0.12 0.32 0.20 0.00 0.05 0.00 0.00 55.36 56.05 1avg s GLN 209 Cb -0.11 -3.76 -0.27 0.00 1.10 0.00 0.00 33.01 29.97 1avg s GLN 209 CO 0.01 -0.68 0.40 -1.33 -0.55 0.00 0.00 175.29 173.15 1avg n MET 210 N 6.09 0.66 -4.06 1.67 2.81 0.79 -4.08 117.12 120.99 1avg n MET 210 Ca 0.01 -0.07 -0.13 0.00 -1.81 0.00 0.00 57.70 55.69 1avg n MET 210 Cb 0.48 -1.57 -0.04 0.00 -0.71 0.00 0.00 33.22 31.39 1avg n MET 210 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1avg s GLY 211 N -4.87 1.28 -0.06 3.03 0.00 -0.74 -2.26 107.32 103.70 1avg s GLY 211 Ca -0.08 -1.38 0.01 0.00 0.00 0.00 0.00 44.72 43.27 1avg s GLY 211 CO 0.87 -0.91 -0.07 -0.42 0.00 0.00 0.00 173.10 172.57 1avg s ILE 212 N -3.17 0.75 -0.07 0.90 1.01 -1.01 -1.13 121.20 118.48 1avg s ILE 212 Ca 0.29 -0.23 -0.30 0.00 0.00 0.00 0.00 60.65 60.40 1avg s ILE 212 Cb -0.01 -0.75 -0.08 0.00 0.01 0.00 0.00 42.46 41.63 1avg s ILE 212 CO 0.18 0.28 2.04 0.52 0.00 0.00 0.00 174.94 177.96 1avg n VAL 213 N 4.12 0.59 -0.00 2.92 0.31 -0.71 -0.67 118.33 124.91 1avg n VAL 213 Ca -0.22 -0.23 -0.00 0.00 -0.01 0.00 0.00 64.34 63.87 1avg n VAL 213 Cb 0.51 -2.29 -0.00 0.00 -0.91 0.00 0.00 33.84 31.15 1avg n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1avg n SER 214 N 8.72 0.15 -2.93 4.52 2.88 -0.71 -3.87 113.62 122.36 1avg n SER 214 Ca 0.24 0.02 -0.13 0.00 -1.33 0.00 0.00 58.87 57.67 1avg n SER 214 Cb 0.39 -0.22 -0.01 0.00 -0.75 0.00 0.00 64.21 63.62 1avg n SER 214 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 1avg n TRP 215 N -2.64 -1.71 -1.38 0.66 4.27 -0.84 -4.91 117.44 110.89 1avg n TRP 215 Ca -0.01 -2.21 0.00 0.00 -3.89 0.00 0.00 57.50 51.39 1avg n TRP 215 Cb 0.02 0.65 0.00 0.00 -1.36 0.00 0.00 31.31 30.62 1avg n TRP 215 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1avg n GLY 216 N -0.56 -1.25 3.00 -1.67 0.00 -1.26 -1.15 105.19 102.29 1avg n GLY 216 Ca -0.02 -0.95 -0.31 0.00 0.00 0.00 0.00 46.02 44.74 1avg n GLY 216 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1avg s GLU 217 N -1.18 1.60 2.35 1.61 2.02 -1.26 -5.01 118.70 118.83 1avg s GLU 217 Ca 0.00 -2.06 0.00 0.00 0.02 0.00 0.00 54.97 52.93 1avg s GLU 217 Cb 0.00 -3.23 0.00 0.00 0.10 0.00 0.00 34.13 31.00 1avg s GLU 217 CO 0.00 -0.98 0.00 0.41 0.02 0.00 0.00 175.26 174.71 1avg n GLY 219 N 3.97 -0.67 3.22 -1.39 0.00 -1.26 -4.77 105.19 104.29 1avg n GLY 219 Ca 0.04 -1.27 -0.09 0.00 0.00 0.00 0.00 46.02 44.70 1avg n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1avg n ASP 221 N 5.34 -3.68 -4.78 0.00 2.03 -1.26 -4.54 116.55 109.66 1avg n ASP 221 Ca -0.09 -0.01 -0.37 0.00 0.52 0.00 0.00 54.79 54.85 1avg n ASP 221 Cb 0.50 -2.90 -0.06 0.00 -0.72 0.00 0.00 41.12 37.93 1avg n ASP 221 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1avg s ARG 221 N -4.56 4.50 0.10 -0.67 0.52 -1.26 -4.96 118.95 112.62 1avg s ARG 221 Ca 0.00 1.34 -0.31 0.00 -0.52 0.00 0.00 55.73 56.24 1avg s ARG 221 Cb 0.00 -2.71 -0.08 0.00 0.52 0.00 0.00 34.95 32.68 1avg s ARG 221 CO 0.00 0.20 1.40 -0.51 0.02 0.00 0.00 175.30 176.41 1avg s ASP 222 N -1.65 6.82 0.00 0.23 1.11 -1.26 -2.05 116.67 119.87 1avg s ASP 222 Ca 0.52 2.30 0.00 0.00 0.18 0.00 0.00 52.55 55.55 1avg s ASP 222 Cb -0.18 -2.58 0.00 0.00 1.07 0.00 0.00 42.92 41.23 1avg s ASP 222 CO 0.23 -0.67 0.00 0.61 1.18 0.00 0.00 175.17 176.52 1avg n GLY 223 N 3.53 0.82 3.59 0.21 0.00 -1.26 -5.03 105.19 107.06 1avg n GLY 223 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 1avg n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1avg s LYS 224 N -0.48 2.24 0.24 1.61 -0.14 -0.87 -4.79 119.74 117.56 1avg s LYS 224 Ca 0.00 -0.96 0.04 0.00 -1.36 0.00 0.00 55.97 53.70 1avg s LYS 224 Cb 0.00 -2.36 -0.05 0.00 -1.68 0.00 0.00 37.83 33.74 1avg s LYS 224 CO 0.00 0.53 -0.02 0.71 -0.76 0.00 0.00 175.35 175.80 1avg s TYR 225 N -1.19 1.67 -0.05 3.18 2.02 -1.26 -4.70 117.35 117.01 1avg s TYR 225 Ca 0.21 -0.85 -0.10 0.00 -0.37 0.00 0.00 57.07 55.97 1avg s TYR 225 Cb -0.11 -0.96 -0.05 0.00 -0.40 0.00 0.00 41.96 40.44 1avg s TYR 225 CO 0.13 0.06 0.26 0.20 -1.57 0.00 0.00 175.55 174.64 1avg s GLY 226 N -3.34 2.29 -0.19 0.71 0.00 -0.84 -4.65 107.32 101.30 1avg s GLY 226 Ca 0.28 -0.48 -0.05 0.00 0.00 0.00 0.00 44.72 44.47 1avg s GLY 226 CO 0.09 -0.20 0.01 -1.36 0.00 0.00 0.00 173.10 171.65 1avg s PHE 227 N -1.10 3.09 0.07 1.90 0.40 -0.30 -1.40 117.98 120.65 1avg s PHE 227 Ca 0.21 -0.26 0.07 0.00 -0.60 0.00 0.00 56.93 56.34 1avg s PHE 227 Cb -0.14 -2.06 -0.04 0.00 0.51 0.00 0.00 43.02 41.30 1avg s PHE 227 CO 0.10 -0.08 -0.14 0.71 0.70 0.00 0.00 175.22 176.51 1avg s TYR 228 N 0.70 2.66 0.08 0.36 1.51 0.76 -1.74 117.35 121.68 1avg s TYR 228 Ca 0.01 -0.19 -0.31 0.00 -1.01 0.00 0.00 57.07 55.56 1avg s TYR 228 Cb -0.14 -1.45 -0.07 0.00 -0.11 0.00 0.00 41.96 40.20 1avg s TYR 228 CO 0.02 0.36 1.27 0.99 -1.11 0.00 0.00 175.55 177.08 1avg s THR 229 N -1.08 3.74 -0.76 -0.71 2.01 0.16 -1.19 115.64 117.80 1avg s THR 229 Ca 0.18 1.25 -0.26 0.00 0.31 0.00 0.00 61.69 63.18 1avg s THR 229 Cb -0.11 -3.80 -0.01 0.00 0.01 0.00 0.00 72.50 68.59 1avg s THR 229 CO 0.10 0.10 1.73 -2.28 -0.69 0.00 0.00 174.62 173.58 1avg s HIS 230 N 1.06 1.91 0.11 4.92 2.46 -0.49 -2.41 115.29 122.85 1avg s HIS 230 Ca 0.61 0.41 -0.20 0.00 0.47 0.00 0.00 55.06 56.34 1avg s HIS 230 Cb -0.32 -4.25 -0.08 0.00 -0.13 0.00 0.00 32.58 27.80 1avg s HIS 230 CO 0.30 -2.07 1.74 0.28 -2.47 0.00 0.00 174.74 172.51 1avg h VAL 231 N 6.82 1.08 -0.37 0.89 2.07 -1.78 -2.66 116.25 122.30 1avg h VAL 231 Ca -0.11 -0.18 0.09 0.00 0.82 0.00 0.00 66.70 67.31 1avg h VAL 231 Cb 1.08 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 31.70 1avg h VAL 231 CO 1.25 0.07 0.26 0.15 0.02 0.00 0.00 177.57 179.33 1avg h PHE 232 N 0.22 0.08 0.00 1.57 3.57 -1.86 -0.38 116.94 120.13 1avg h PHE 232 Ca 0.07 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.47 1avg h PHE 232 Cb 0.02 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 1avg h PHE 232 CO -0.05 0.04 -0.49 -0.09 -2.23 0.00 0.00 178.31 175.49 1avg h ARG 233 N 0.07 0.00 -0.58 1.11 9.65 -1.84 -2.76 114.38 120.03 1avg h ARG 233 Ca 0.17 0.00 -0.14 0.00 -1.10 0.00 0.00 59.98 58.91 1avg h ARG 233 Cb 0.60 0.00 -0.08 0.00 -1.39 0.00 0.00 29.97 29.09 1avg h ARG 233 CO -0.01 0.49 0.15 1.28 2.80 0.00 0.00 179.97 184.67 1avg n LEU 234 N -3.85 5.39 -0.14 3.80 7.99 -0.19 -4.60 117.00 125.40 1avg n LEU 234 Ca -0.01 -3.21 -0.10 0.00 -0.01 0.00 0.00 56.01 52.68 1avg n LEU 234 Cb 0.52 -0.69 -0.01 0.00 -0.11 0.00 0.00 43.42 43.14 1avg n LEU 234 CO 0.40 0.81 0.84 0.50 -1.51 0.00 0.00 177.39 178.43 1avg h LYS 235 N 2.47 0.66 -0.62 3.23 1.63 -1.15 -2.69 116.57 120.10 1avg h LYS 235 Ca 0.17 -0.17 -0.01 0.00 -0.85 0.00 0.00 60.65 59.79 1avg h LYS 235 Cb 2.04 -0.08 -0.03 0.00 -0.60 0.00 0.00 32.23 33.56 1avg h LYS 235 CO 0.57 0.70 0.35 0.87 -3.45 0.00 0.00 179.45 178.49 1avg h LYS 236 N 0.51 0.84 -0.25 1.90 1.79 -1.82 -2.18 116.57 117.36 1avg h LYS 236 Ca 0.12 -0.08 -0.04 0.00 -2.18 0.00 0.00 60.65 58.47 1avg h LYS 236 Cb 0.36 -0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 30.82 1avg h LYS 236 CO 0.01 0.61 -0.01 2.35 -1.08 0.00 0.00 179.45 181.33 1avg h TRP 237 N 0.85 0.49 -0.13 -1.35 7.01 -1.86 -2.06 115.95 118.91 1avg h TRP 237 Ca 0.22 -0.09 0.05 0.00 2.11 0.00 0.00 58.89 61.18 1avg h TRP 237 Cb 0.00 -0.13 -0.06 0.00 -2.10 0.00 0.00 29.16 26.87 1avg h TRP 237 CO 0.00 0.62 -0.32 0.82 -2.79 0.00 0.00 178.44 176.77 1avg h ILE 238 N 0.22 0.28 -0.78 2.65 2.04 -1.13 0.47 117.51 121.26 1avg h ILE 238 Ca 0.07 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.05 1avg h ILE 238 Cb 0.43 0.28 -0.05 0.00 -0.74 0.00 0.00 36.82 36.74 1avg h ILE 238 CO 0.01 0.00 0.51 1.56 0.00 0.00 0.00 178.15 180.23 1avg h GLN 239 N -0.40 0.57 -0.60 2.37 4.20 -1.32 -1.52 115.11 118.41 1avg h GLN 239 Ca 0.09 -0.03 -0.08 0.00 0.06 0.00 0.00 58.65 58.69 1avg h GLN 239 Cb 0.55 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.18 1avg h GLN 239 CO -0.35 0.38 0.07 -0.22 -0.67 0.00 0.00 178.83 178.03 1avg h LYS 240 N 0.59 1.00 0.00 1.46 3.64 -0.19 -1.59 116.57 121.47 1avg h LYS 240 Ca 0.37 -0.27 -0.09 0.00 -1.27 0.00 0.00 60.65 59.39 1avg h LYS 240 Cb 0.64 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.32 1avg h LYS 240 CO -0.14 0.94 -0.99 -0.39 -2.27 0.00 0.00 179.45 176.60 1avg h VAL 241 N 0.93 0.39 0.15 2.00 -1.51 -0.47 -3.37 116.25 114.36 1avg h VAL 241 Ca 0.18 -1.67 -0.01 0.00 -1.23 0.00 0.00 66.70 63.98 1avg h VAL 241 Cb 0.45 1.96 0.00 0.00 -2.13 0.00 0.00 31.29 31.57 1avg h VAL 241 CO 0.02 0.22 -0.07 0.40 -1.23 0.00 0.00 177.57 176.91 1avg h ILE 242 N 0.00 0.95 -0.51 7.19 2.04 -1.28 -3.36 117.51 122.54 1avg h ILE 242 Ca -0.07 -1.12 -0.71 0.00 1.00 0.00 0.00 64.86 63.96 1avg h ILE 242 Cb 1.33 1.57 -0.07 0.00 -0.74 0.00 0.00 36.82 38.91 1avg h ILE 242 CO 0.03 0.24 2.65 0.47 0.00 0.00 0.00 178.15 181.54 1avg n ASP 243 N -4.92 4.39 -2.97 1.72 8.00 -0.60 -4.69 116.55 117.47 1avg n ASP 243 Ca -0.08 -2.90 -0.19 0.00 0.71 0.00 0.00 54.79 52.33 1avg n ASP 243 Cb 0.27 -1.67 -0.02 0.00 -0.02 0.00 0.00 41.12 39.68 1avg n ASP 243 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1avg n ARG 244 N 6.60 1.76 -2.97 -1.24 5.12 -1.14 -4.83 116.66 119.97 1avg n ARG 244 Ca 0.49 -3.81 0.04 0.00 -1.93 0.00 0.00 57.85 52.64 1avg n ARG 244 Cb 0.41 -1.80 0.00 0.00 -1.16 0.00 0.00 32.46 29.92 1avg n ARG 244 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 1avg s LEU 245 N -2.90 -0.41 0.00 0.55 2.96 -1.26 -4.93 118.68 112.69 1avg s LEU 245 Ca 0.40 -0.08 0.00 0.00 -0.22 0.00 0.00 54.13 54.24 1avg s LEU 245 Cb 0.36 0.88 0.00 0.00 0.50 0.00 0.00 46.19 47.93 1avg s LEU 245 CO -0.08 -0.06 0.00 0.61 -1.32 0.00 0.00 176.35 175.50 1avg n GLY 246 N 4.42 0.62 0.00 7.98 0.00 -1.26 -5.26 105.19 111.69 1avg n GLY 246 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1avg n GLY 246 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06