#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2roq s LEU 2 N 0.00 3.82 -1.02 -0.89 1.02 -1.26 -4.98 118.68 115.36 2roq s LEU 2 Ca 0.00 0.60 -0.24 0.00 0.02 0.00 0.00 54.13 54.51 2roq s LEU 2 Cb 0.00 -3.49 -0.07 0.00 0.02 0.00 0.00 46.19 42.65 2roq s LEU 2 CO 0.00 -0.46 1.94 -2.16 0.02 0.00 0.00 176.35 175.69 2roq s PRO 3 N -4.51 2.52 0.28 1.29 0.04 -1.26 -4.93 135.00 128.43 2roq s PRO 3 Ca 0.44 -0.66 0.10 0.00 0.04 0.00 0.00 61.00 60.91 2roq s PRO 3 Cb -0.10 -5.14 -0.05 0.00 0.04 0.00 0.00 34.50 29.26 2roq s PRO 3 CO 0.40 -3.64 -0.03 -1.21 0.04 0.00 0.00 177.00 172.55 2roq s GLU 4 N 6.79 2.16 -0.57 4.56 0.41 -1.26 -5.03 118.70 125.75 2roq s GLU 4 Ca 0.69 -1.52 -0.28 0.00 -0.41 0.00 0.00 54.97 53.45 2roq s GLU 4 Cb -0.04 -2.07 -0.11 0.00 -1.78 0.00 0.00 34.13 30.13 2roq s GLU 4 CO 0.05 0.33 2.44 1.28 -0.49 0.00 0.00 175.26 178.87 2roq n LEU 5 N -0.86 1.90 -3.15 1.80 4.77 -1.26 -4.84 117.00 115.36 2roq n LEU 5 Ca -0.06 -0.20 0.04 0.00 -0.03 0.00 0.00 56.01 55.77 2roq n LEU 5 Cb 0.60 -1.39 -0.01 0.00 -2.33 0.00 0.00 43.42 40.29 2roq n LEU 5 CO 0.40 -1.22 0.23 -0.54 -1.33 0.00 0.00 177.39 174.92 2roq s LYS 6 N 8.08 0.47 0.00 3.23 1.02 -1.26 -5.17 119.74 126.11 2roq s LYS 6 Ca 1.08 0.63 0.00 0.00 0.02 0.00 0.00 55.97 57.71 2roq s LYS 6 Cb -0.51 0.33 0.00 0.00 -0.52 0.00 0.00 37.83 37.12 2roq s LYS 6 CO 0.35 -0.71 0.00 0.00 -0.92 0.00 0.00 175.35 174.06 2roq n ALA 7 N 5.39 0.00 -3.09 5.17 0.00 -1.26 -5.16 120.51 121.57 2roq n ALA 7 Ca 0.02 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.27 2roq n ALA 7 Cb 0.53 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.83 2roq n ALA 7 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 2roq s GLN 8 N -1.64 0.83 0.08 0.00 -2.07 -1.26 -5.15 119.66 110.45 2roq s GLN 8 Ca 0.00 -0.25 -0.05 0.00 -1.82 0.00 0.00 55.36 53.24 2roq s GLN 8 Cb 0.00 -0.80 -0.02 0.00 -1.09 0.00 0.00 33.01 31.11 2roq s GLN 8 CO 0.00 0.08 0.10 0.00 -1.32 0.00 0.00 175.29 174.15 2roq s ALA 9 N 0.26 0.13 -0.54 2.60 0.00 -1.26 -5.03 121.76 117.92 2roq s ALA 9 Ca -0.04 -0.91 0.22 0.00 0.00 0.00 0.00 51.96 51.24 2roq s ALA 9 Cb -0.08 0.43 0.94 0.00 0.00 0.00 0.00 23.12 24.41 2roq s ALA 9 CO 0.00 -0.46 1.68 -0.35 0.00 0.00 0.00 175.76 176.63 2roq n PRO 10 N -0.00 0.17 -3.29 0.00 -0.04 -1.26 -3.98 135.00 126.60 2roq n PRO 10 Ca -0.14 0.41 -0.25 0.00 -0.04 0.00 0.00 63.50 63.47 2roq n PRO 10 Cb 0.62 -1.83 -0.08 0.00 -0.04 0.00 0.00 33.50 32.16 2roq n PRO 10 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2roq n GLY 11 N -0.02 2.52 3.36 0.55 0.00 -1.26 -1.79 105.19 108.55 2roq n GLY 11 Ca 0.02 -1.45 -0.19 0.00 0.00 0.00 0.00 46.02 44.41 2roq n GLY 11 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2roq s ARG 12 N -0.59 1.39 -0.80 1.61 1.04 -1.26 -4.60 118.95 115.74 2roq s ARG 12 Ca 0.34 -1.68 -0.05 0.00 -1.04 0.00 0.00 55.73 53.31 2roq s ARG 12 Cb 0.11 -0.93 0.20 0.00 -2.04 0.00 0.00 34.95 32.29 2roq s ARG 12 CO -0.15 0.03 0.68 0.00 -0.04 0.00 0.00 175.30 175.82 2roq s ALA 13 N -3.16 4.02 0.00 7.88 0.00 -1.26 -3.62 121.76 125.62 2roq s ALA 13 Ca 0.26 -3.56 -0.24 0.00 0.00 0.00 0.00 51.96 48.43 2roq s ALA 13 Cb 0.03 -2.93 -0.18 0.00 0.00 0.00 0.00 23.12 20.05 2roq s ALA 13 CO 0.09 -2.16 1.30 -1.00 0.00 0.00 0.00 175.76 173.99 2roq h PRO 14 N 6.69 0.15 -6.27 0.00 0.13 -1.95 -3.47 132.00 127.27 2roq h PRO 14 Ca 0.09 -0.08 -0.48 0.00 -0.87 0.00 0.00 66.00 64.66 2roq h PRO 14 Cb 0.90 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.98 2roq h PRO 14 CO 0.80 0.59 -0.75 1.17 -0.23 0.00 0.00 178.00 179.58 2roq n LYS 15 N -4.73 -5.20 -0.07 0.86 4.81 -1.26 -4.89 118.16 107.68 2roq n LYS 15 Ca -0.07 0.58 -0.12 0.00 -0.87 0.00 0.00 58.31 57.82 2roq n LYS 15 Cb 0.30 -5.45 -0.10 0.00 0.02 0.00 0.00 35.03 29.80 2roq n LYS 15 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2roq h ALA 16 N 0.97 0.03 0.00 3.14 0.00 -1.93 -3.45 119.26 118.02 2roq h ALA 16 Ca -0.57 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 53.86 2roq h ALA 16 Cb 1.37 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.27 2roq h ALA 16 CO 0.68 0.10 0.00 0.41 0.00 0.00 0.00 179.25 180.43 2roq n GLY 17 N 1.62 -1.81 0.23 0.00 0.00 -1.26 -4.89 105.19 99.08 2roq n GLY 17 Ca -0.10 0.67 0.07 0.00 0.00 0.00 0.00 46.02 46.66 2roq n GLY 17 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2roq h SER 18 N 0.00 0.00 0.31 1.61 4.64 -1.95 -2.87 113.55 115.28 2roq h SER 18 Ca 0.00 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 60.99 2roq h SER 18 Cb 0.00 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.06 2roq h SER 18 CO 0.00 0.22 -1.86 -0.62 -0.87 0.00 0.00 176.83 173.70 2roq n GLU 19 N -4.04 0.69 -0.16 4.77 4.71 -1.26 -4.06 120.64 121.30 2roq n GLU 19 Ca -0.02 0.28 0.17 0.00 -0.01 0.00 0.00 57.16 57.58 2roq n GLU 19 Cb 0.29 -1.75 0.53 0.00 -1.01 0.00 0.00 31.44 29.51 2roq n GLU 19 CO 0.00 0.00 0.00 1.15 0.09 0.00 0.00 177.13 178.37 2roq h THR 20 N 0.03 0.76 0.00 2.62 2.02 -1.82 0.26 112.91 116.79 2roq h THR 20 Ca -0.36 -0.12 -0.09 0.00 0.77 0.00 0.00 66.41 66.61 2roq h THR 20 Cb 2.03 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 68.81 2roq h THR 20 CO 0.08 0.06 -0.43 0.16 0.37 0.00 0.00 175.52 175.77 2roq h ILE 21 N 0.35 0.88 0.22 3.11 3.07 -1.68 -2.14 117.51 121.32 2roq h ILE 21 Ca 0.37 -1.79 -0.01 0.00 1.55 0.00 0.00 64.86 64.98 2roq h ILE 21 Cb 0.94 2.11 0.00 0.00 -0.27 0.00 0.00 36.82 39.61 2roq h ILE 21 CO -0.11 0.42 -0.10 0.40 -1.05 0.00 0.00 178.15 177.71 2roq h ILE 22 N 0.00 0.29 -0.38 0.16 1.08 -0.65 -2.16 117.51 115.85 2roq h ILE 22 Ca -0.00 -0.92 -0.02 0.00 -0.39 0.00 0.00 64.86 63.53 2roq h ILE 22 Cb 1.08 0.51 -0.02 0.00 -3.07 0.00 0.00 36.82 35.32 2roq h ILE 22 CO 0.06 0.08 0.17 0.00 -0.69 0.00 0.00 178.15 177.77 2roq h ALA 23 N -0.85 1.59 -0.37 1.87 0.00 -1.44 -1.94 119.26 118.12 2roq h ALA 23 Ca -0.03 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.68 2roq h ALA 23 Cb 0.36 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2roq h ALA 23 CO 0.05 0.33 -0.20 0.00 0.00 0.00 0.00 179.25 179.43 2roq h ALA 24 N 1.66 0.53 -0.08 0.00 0.00 -1.48 -2.10 119.26 117.79 2roq h ALA 24 Ca 0.13 -0.37 -0.07 0.00 0.00 0.00 0.00 54.91 54.60 2roq h ALA 24 Cb 0.08 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2roq h ALA 24 CO -0.02 0.48 -0.28 0.00 0.00 0.00 0.00 179.25 179.43 2roq h ALA 25 N 0.79 1.39 -0.11 0.00 0.00 -0.94 0.20 119.26 120.60 2roq h ALA 25 Ca 0.08 -0.29 -0.10 0.00 0.00 0.00 0.00 54.91 54.60 2roq h ALA 25 Cb 0.76 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2roq h ALA 25 CO 0.06 0.43 -0.31 0.74 0.00 0.00 0.00 179.25 180.17 2roq h PHE 26 N 0.12 0.53 0.00 0.00 0.04 -1.22 0.12 116.94 116.53 2roq h PHE 26 Ca 0.02 -0.21 -0.07 0.00 2.80 0.00 0.00 57.97 60.51 2roq h PHE 26 Cb 0.57 -0.09 -0.01 0.00 2.20 0.00 0.00 35.95 38.62 2roq h PHE 26 CO 0.01 0.93 -0.31 0.66 -0.60 0.00 0.00 178.31 178.99 2roq h SER 27 N -0.03 0.00 0.32 2.17 4.64 -1.25 0.71 113.55 120.11 2roq h SER 27 Ca -0.01 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 60.98 2roq h SER 27 Cb 0.93 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.03 2roq h SER 27 CO 0.07 0.31 -1.61 -1.28 -0.87 0.00 0.00 176.83 173.45 2roq h SER 28 N 0.00 0.55 0.00 4.97 0.87 -0.60 -2.32 113.55 117.03 2roq h SER 28 Ca -0.00 -0.76 -0.05 0.00 -1.23 0.00 0.00 61.79 59.76 2roq h SER 28 Cb 1.07 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.84 2roq h SER 28 CO 0.04 1.63 -0.29 -0.07 -0.53 0.00 0.00 176.83 177.61 2roq h LEU 29 N 0.10 0.00 0.00 2.23 3.38 -0.78 -3.32 115.31 116.91 2roq h LEU 29 Ca -0.29 -0.59 0.00 0.00 0.09 0.00 0.00 57.88 57.09 2roq h LEU 29 Cb 2.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.82 2roq h LEU 29 CO 0.19 0.96 0.00 0.18 0.09 0.00 0.00 178.44 179.86 2roq n LEU 30 N -4.61 0.00 -3.77 1.67 4.77 0.24 -4.89 117.00 110.41 2roq n LEU 30 Ca -0.12 0.29 -0.29 0.00 -0.03 0.00 0.00 56.01 55.86 2roq n LEU 30 Cb 0.39 -0.29 0.02 0.00 -2.33 0.00 0.00 43.42 41.21 2roq n LEU 30 CO 0.21 -0.06 0.07 0.61 -1.33 0.00 0.00 177.39 176.89 2roq n GLY 31 N 0.74 -0.50 0.00 -0.72 0.00 -0.90 -4.95 105.19 98.86 2roq n GLY 31 Ca 0.11 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.30 2roq n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2roq n ASP 33 N -1.78 6.36 -4.39 0.00 5.68 -1.26 -4.32 116.55 116.84 2roq n ASP 33 Ca 0.00 -3.43 -0.44 0.00 -0.50 0.00 0.00 54.79 50.42 2roq n ASP 33 Cb 0.00 -1.24 -0.08 0.00 -1.14 0.00 0.00 41.12 38.66 2roq n ASP 33 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 2roq s VAL 34 N -2.87 5.19 -0.29 2.12 1.01 -1.26 -4.88 120.40 119.41 2roq s VAL 34 Ca 0.32 -1.03 0.20 0.00 0.00 0.00 0.00 61.98 61.46 2roq s VAL 34 Cb 0.06 -4.08 0.48 0.00 0.00 0.00 0.00 36.38 32.84 2roq s VAL 34 CO 0.09 -0.54 1.16 1.67 0.00 0.00 0.00 175.10 177.48 2roq n GLN 35 N 5.18 1.52 -2.19 2.72 7.27 -1.26 -4.16 117.38 126.47 2roq n GLN 35 Ca -0.12 -2.98 -0.07 0.00 0.07 0.00 0.00 57.00 53.90 2roq n GLN 35 Cb 0.44 -1.11 -0.00 0.00 2.41 0.00 0.00 30.24 31.98 2roq n GLN 35 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 2roq n ASP 36 N -0.65 1.63 0.00 1.69 2.03 -1.26 -4.39 116.55 115.60 2roq n ASP 36 Ca 0.03 -1.47 0.00 0.00 0.52 0.00 0.00 54.79 53.87 2roq n ASP 36 Cb 0.82 0.01 0.00 0.00 -0.72 0.00 0.00 41.12 41.23 2roq n ASP 36 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2roq n ALA 37 N -2.70 1.47 -2.28 -1.67 0.00 -1.24 -4.60 120.51 109.49 2roq n ALA 37 Ca -0.04 -0.36 -0.04 0.00 0.00 0.00 0.00 53.44 53.00 2roq n ALA 37 Cb 0.15 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.67 2roq n ALA 37 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2roq n ASP 38 N -0.04 2.31 -4.91 0.00 2.03 -0.74 -2.90 116.55 112.30 2roq n ASP 38 Ca 0.00 -2.87 -0.27 0.00 0.52 0.00 0.00 54.79 52.17 2roq n ASP 38 Cb 0.14 -0.41 0.06 0.00 -0.72 0.00 0.00 41.12 40.19 2roq n ASP 38 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2roq s ALA 39 N -2.70 3.03 -0.16 -1.67 0.00 -1.26 -4.95 121.76 114.06 2roq s ALA 39 Ca 0.37 -0.72 0.01 0.00 0.00 0.00 0.00 51.96 51.61 2roq s ALA 39 Cb 0.37 -2.75 0.02 0.00 0.00 0.00 0.00 23.12 20.76 2roq s ALA 39 CO -0.06 -1.25 -0.16 0.34 0.00 0.00 0.00 175.76 174.63 2roq s ASP 40 N -4.46 2.80 0.18 0.00 -1.08 -1.26 -4.21 116.67 108.65 2roq s ASP 40 Ca 0.59 -0.53 -0.18 0.00 -0.52 0.00 0.00 52.55 51.91 2roq s ASP 40 Cb -0.11 -1.26 0.14 0.00 -1.46 0.00 0.00 42.92 40.23 2roq s ASP 40 CO 0.47 -0.04 1.62 0.15 0.52 0.00 0.00 175.17 177.89 2roq h PHE 41 N 8.00 -0.52 0.07 -5.34 3.04 -1.90 0.31 116.94 120.61 2roq h PHE 41 Ca -0.40 0.05 0.01 0.00 3.98 0.00 0.00 57.97 61.61 2roq h PHE 41 Cb 1.14 0.30 -0.02 0.00 2.56 0.00 0.00 35.95 39.93 2roq h PHE 41 CO 0.47 -0.29 -0.28 0.74 -2.02 0.00 0.00 178.31 176.93 2roq h PHE 42 N -0.10 -0.82 -0.68 0.41 0.04 -1.84 0.51 116.94 114.46 2roq h PHE 42 Ca 0.23 0.02 0.16 0.00 2.80 0.00 0.00 57.97 61.18 2roq h PHE 42 Cb 0.46 0.35 -0.04 0.00 2.20 0.00 0.00 35.95 38.91 2roq h PHE 42 CO -0.49 -0.32 0.47 0.00 -0.60 0.00 0.00 178.31 177.37 2roq h ALA 43 N -1.02 2.29 0.00 2.45 0.00 -1.72 0.27 119.26 121.52 2roq h ALA 43 Ca -0.00 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 2roq h ALA 43 Cb 0.41 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2roq h ALA 43 CO -0.15 -0.48 -0.26 -0.07 0.00 0.00 0.00 179.25 178.30 2roq h LEU 44 N 0.25 0.00 0.00 0.00 3.38 0.77 -3.46 115.31 116.24 2roq h LEU 44 Ca 0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.30 2roq h LEU 44 Cb 0.95 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.70 2roq h LEU 44 CO -0.07 0.26 0.00 0.61 0.09 0.00 0.00 178.44 179.32 2roq n GLY 45 N -0.25 1.21 3.70 0.83 0.00 0.94 -4.98 105.19 106.65 2roq n GLY 45 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 2roq n GLY 45 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2roq s GLY 46 N -2.00 2.45 0.00 -0.02 0.00 -0.03 -4.73 107.32 102.98 2roq s GLY 46 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 44.72 44.77 2roq s GLY 46 CO 0.00 1.26 0.00 1.57 0.00 0.00 0.00 173.10 175.93 2roq n HIS 47 N 4.19 -0.48 -4.68 1.90 -0.00 -1.26 -4.33 115.22 110.56 2roq n HIS 47 Ca -0.01 0.00 -0.25 0.00 0.46 0.00 0.00 57.72 57.93 2roq n HIS 47 Cb 0.51 0.10 -0.16 0.00 -0.12 0.00 0.00 29.99 30.31 2roq n HIS 47 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2roq s ALA 48 N -1.00 1.33 -0.50 1.57 0.00 -1.26 -4.55 121.76 117.35 2roq s ALA 48 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 51.96 51.43 2roq s ALA 48 Cb 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 23.12 22.61 2roq s ALA 48 CO 0.00 0.19 0.00 1.28 0.00 0.00 0.00 175.76 177.23 2roq n LEU 49 N 3.46 0.11 0.00 0.00 4.77 -1.26 -4.73 117.00 119.35 2roq n LEU 49 Ca -0.20 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 2roq n LEU 49 Cb 0.53 -1.95 0.00 0.00 -2.33 0.00 0.00 43.42 39.67 2roq n LEU 49 CO 0.25 -0.71 -0.37 0.18 -1.33 0.00 0.00 177.39 175.42 2roq n LEU 50 N -0.54 0.27 0.12 2.23 7.99 -1.26 -4.39 117.00 121.43 2roq n LEU 50 Ca -0.05 0.00 -0.02 0.00 -0.01 0.00 0.00 56.01 55.93 2roq n LEU 50 Cb 0.38 0.00 0.14 0.00 -0.11 0.00 0.00 43.42 43.83 2roq n LEU 50 CO 0.07 -0.07 0.46 0.00 -1.51 0.00 0.00 177.39 176.35 2roq h ALA 51 N 0.00 0.91 0.17 -1.18 0.00 -1.85 -2.15 119.26 115.16 2roq h ALA 51 Ca 0.00 -0.59 -0.31 0.00 0.00 0.00 0.00 54.91 54.01 2roq h ALA 51 Cb 0.74 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.44 2roq h ALA 51 CO 0.00 0.80 -1.53 1.98 0.00 0.00 0.00 179.25 180.50 2roq h MET 52 N 0.03 0.36 -0.60 0.00 4.05 -1.89 -2.18 114.93 114.70 2roq h MET 52 Ca -0.01 -0.62 -0.05 0.00 -0.28 0.00 0.00 59.70 58.74 2roq h MET 52 Cb 1.15 0.23 -0.03 0.00 -0.80 0.00 0.00 31.60 32.16 2roq h MET 52 CO 0.09 1.30 0.17 0.87 0.23 0.00 0.00 176.91 179.57 2roq h LYS 53 N -0.05 0.92 0.02 0.39 1.79 -1.76 -1.45 116.57 116.42 2roq h LYS 53 Ca -0.30 -0.18 -0.00 0.00 -2.18 0.00 0.00 60.65 57.98 2roq h LYS 53 Cb 1.97 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 32.48 2roq h LYS 53 CO 0.15 0.80 -0.01 1.25 -1.08 0.00 0.00 179.45 180.57 2roq h LEU 54 N 0.89 -0.02 -0.89 2.94 6.46 -1.52 -2.16 115.31 121.01 2roq h LEU 54 Ca 0.20 -0.69 0.19 0.00 -0.12 0.00 0.00 57.88 57.46 2roq h LEU 54 Cb 0.28 0.00 -0.11 0.00 -0.73 0.00 0.00 40.66 40.10 2roq h LEU 54 CO -0.01 0.80 0.44 0.00 -0.62 0.00 0.00 178.44 179.05 2roq h ALA 55 N -0.23 1.40 0.00 1.25 0.00 -1.40 0.33 119.26 120.61 2roq h ALA 55 Ca -0.00 0.12 -0.15 0.00 0.00 0.00 0.00 54.91 54.87 2roq h ALA 55 Cb 0.70 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 2roq h ALA 55 CO 0.00 -0.21 -0.74 0.00 0.00 0.00 0.00 179.25 178.31 2roq h ALA 56 N 1.64 0.66 -0.25 0.00 0.00 -1.37 -2.18 119.26 117.76 2roq h ALA 56 Ca 0.52 -0.67 -0.17 0.00 0.00 0.00 0.00 54.91 54.59 2roq h ALA 56 Cb 0.89 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2roq h ALA 56 CO -0.44 0.92 -0.52 0.37 0.00 0.00 0.00 179.25 179.57 2roq h GLN 57 N 0.00 0.79 -0.04 0.00 4.15 0.04 -2.16 115.11 117.89 2roq h GLN 57 Ca -0.01 -0.52 -0.07 0.00 0.77 0.00 0.00 58.65 58.82 2roq h GLN 57 Cb 1.41 0.07 0.00 0.00 0.21 0.00 0.00 27.48 29.17 2roq h GLN 57 CO 0.10 1.15 -0.26 -0.07 -1.93 0.00 0.00 178.83 177.81 2roq h LEU 58 N 0.54 0.31 -1.78 -2.39 3.38 -0.57 -0.37 115.31 114.42 2roq h LEU 58 Ca 0.01 -0.67 0.01 0.00 0.09 0.00 0.00 57.88 57.32 2roq h LEU 58 Cb 1.13 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 2roq h LEU 58 CO 0.12 0.93 0.17 0.77 0.09 0.00 0.00 178.44 180.51 2roq h SER 59 N -0.30 0.25 1.06 -0.43 4.64 -1.47 0.30 113.55 117.60 2roq h SER 59 Ca -0.02 -0.01 -0.12 0.00 -0.47 0.00 0.00 61.79 61.18 2roq h SER 59 Cb 0.93 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 62.94 2roq h SER 59 CO 0.05 0.18 -1.00 0.03 -0.87 0.00 0.00 176.83 175.22 2roq h ARG 60 N 0.30 0.00 0.00 4.77 2.47 -1.39 -0.48 114.38 120.05 2roq h ARG 60 Ca 0.10 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.80 2roq h ARG 60 Cb 0.03 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.35 2roq h ARG 60 CO -0.02 0.31 -0.54 1.96 0.56 0.00 0.00 179.97 182.23 2roq h GLN 61 N 0.00 0.00 -0.02 0.04 1.08 0.11 -3.28 115.11 113.05 2roq h GLN 61 Ca -0.08 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.12 2roq h GLN 61 Cb 1.41 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.84 2roq h GLN 61 CO 0.04 0.06 -0.22 1.33 -0.95 0.00 0.00 178.83 179.09 2roq n VAL 62 N -2.92 0.00 -1.82 -0.54 0.24 0.94 -4.96 118.33 109.27 2roq n VAL 62 Ca 0.01 -0.39 -0.16 0.00 -2.04 0.00 0.00 64.34 61.77 2roq n VAL 62 Cb 0.57 1.28 -0.04 0.00 -1.47 0.00 0.00 33.84 34.19 2roq n VAL 62 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2roq n ALA 63 N 0.38 -0.33 -4.01 2.33 0.00 -1.01 -4.98 120.51 112.88 2roq n ALA 63 Ca 0.09 0.20 -0.05 0.00 0.00 0.00 0.00 53.44 53.67 2roq n ALA 63 Cb 0.41 -1.71 -0.01 0.00 0.00 0.00 0.00 19.45 18.14 2roq n ALA 63 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2roq n ARG 64 N -2.53 1.56 -3.88 0.00 3.00 -0.22 -5.02 116.66 109.57 2roq n ARG 64 Ca -0.17 -0.63 -0.30 0.00 -0.00 0.00 0.00 57.85 56.75 2roq n ARG 64 Cb 0.57 0.21 -0.14 0.00 0.00 0.00 0.00 32.46 33.10 2roq n ARG 64 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.63 178.77 2roq s GLN 65 N -2.31 1.47 0.62 -0.14 -2.07 -1.26 -4.34 119.66 111.64 2roq s GLN 65 Ca 0.01 -2.02 -0.15 0.00 -1.82 0.00 0.00 55.36 51.37 2roq s GLN 65 Cb 0.00 -2.84 -0.02 0.00 -1.09 0.00 0.00 33.01 29.06 2roq s GLN 65 CO 0.01 -1.06 1.07 0.54 -1.32 0.00 0.00 175.29 174.53 2roq s VAL 66 N 0.50 3.67 0.22 3.63 0.11 -1.26 -5.06 120.40 122.20 2roq s VAL 66 Ca 0.14 0.76 0.05 0.00 -2.93 0.00 0.00 61.98 60.00 2roq s VAL 66 Cb -0.22 -3.30 -0.03 0.00 -1.53 0.00 0.00 36.38 31.30 2roq s VAL 66 CO -0.06 -0.50 0.30 0.42 -3.33 0.00 0.00 175.10 171.93 2roq s THR 67 N -2.49 5.08 0.14 5.04 -4.23 -1.26 -5.03 115.64 112.89 2roq s THR 67 Ca 0.64 -1.01 -0.11 0.00 -1.18 0.00 0.00 61.69 60.03 2roq s THR 67 Cb -0.17 -3.72 -0.04 0.00 1.34 0.00 0.00 72.50 69.91 2roq s THR 67 CO 0.40 -0.27 1.48 1.55 -0.54 0.00 0.00 174.62 177.24 2roq h PRO 68 N 1.50 0.94 -0.11 3.99 0.13 -1.98 -2.94 132.00 133.52 2roq h PRO 68 Ca -0.50 -0.50 0.00 0.00 -0.87 0.00 0.00 66.00 64.13 2roq h PRO 68 Cb 1.22 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2roq h PRO 68 CO 0.63 1.15 0.00 0.41 -0.23 0.00 0.00 178.00 179.96 2roq n GLY 69 N 0.13 -0.34 2.06 1.56 0.00 -1.26 -3.69 105.19 103.65 2roq n GLY 69 Ca -0.02 -0.22 -0.18 0.00 0.00 0.00 0.00 46.02 45.60 2roq n GLY 69 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2roq n GLN 70 N -0.17 3.16 0.11 1.61 1.13 -1.11 -3.93 117.38 118.17 2roq n GLN 70 Ca 0.11 -3.99 0.00 0.00 -1.94 0.00 0.00 57.00 51.18 2roq n GLN 70 Cb 0.16 -2.11 0.00 0.00 0.11 0.00 0.00 30.24 28.41 2roq n GLN 70 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 2roq n VAL 71 N -0.70 0.34 0.09 5.09 0.31 -1.24 -4.46 118.33 117.76 2roq n VAL 71 Ca 0.36 0.11 0.01 0.00 -0.01 0.00 0.00 64.34 64.82 2roq n VAL 71 Cb 0.93 -0.78 -0.03 0.00 -0.91 0.00 0.00 33.84 33.05 2roq n VAL 71 CO 0.00 0.00 0.00 0.24 -1.32 0.00 0.00 176.83 175.75 2roq h MET 72 N 0.00 0.00 -0.00 5.55 2.86 -1.87 -3.34 114.93 118.13 2roq h MET 72 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2roq h MET 72 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 2roq h MET 72 CO 0.00 0.44 -0.10 1.33 1.06 0.00 0.00 176.91 179.64 2roq n VAL 73 N -3.09 0.00 -0.03 -2.22 0.24 -1.26 -4.61 118.33 107.36 2roq n VAL 73 Ca -0.03 -0.45 -0.12 0.00 -2.04 0.00 0.00 64.34 61.70 2roq n VAL 73 Cb 0.78 1.08 -0.07 0.00 -1.47 0.00 0.00 33.84 34.17 2roq n VAL 73 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2roq h ALA 74 N 1.07 -0.62 0.00 2.33 0.00 -1.68 -3.38 119.26 116.97 2roq h ALA 74 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2roq h ALA 74 Cb 0.21 0.86 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2roq h ALA 74 CO 0.00 -0.95 0.00 0.45 0.00 0.00 0.00 179.25 178.75 2roq n SER 75 N -5.43 0.00 -2.77 0.00 2.88 -1.26 -4.71 113.62 102.33 2roq n SER 75 Ca -0.04 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.51 2roq n SER 75 Cb 0.36 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.83 2roq n SER 75 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 2roq n THR 76 N 0.00 0.00 0.13 2.46 5.66 -1.26 -4.95 114.28 116.32 2roq n THR 76 Ca 0.00 -0.13 -0.12 0.00 -3.05 0.00 0.00 64.05 60.75 2roq n THR 76 Cb 0.00 0.38 -0.07 0.00 -1.55 0.00 0.00 70.33 69.10 2roq n THR 76 CO 0.00 0.00 0.00 0.58 -3.05 0.00 0.00 175.07 172.60 2roq h VAL 77 N 1.64 0.00 -0.45 1.08 2.07 -1.73 0.41 116.25 119.26 2roq h VAL 77 Ca -0.14 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.47 2roq h VAL 77 Cb 0.75 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.43 2roq h VAL 77 CO 0.20 0.00 -0.29 0.00 0.02 0.00 0.00 177.57 177.50 2roq h ALA 78 N -0.99 -0.06 -0.91 1.67 0.00 -1.78 0.12 119.26 117.32 2roq h ALA 78 Ca -0.02 0.13 0.06 0.00 0.00 0.00 0.00 54.91 55.09 2roq h ALA 78 Cb 0.56 0.66 -0.06 0.00 0.00 0.00 0.00 17.79 18.94 2roq h ALA 78 CO -0.13 -0.66 0.57 -0.22 0.00 0.00 0.00 179.25 178.81 2roq h LYS 79 N -0.20 1.01 -1.00 0.00 3.11 -1.76 -1.49 116.57 116.24 2roq h LYS 79 Ca 0.20 -0.06 0.18 0.00 -2.81 0.00 0.00 60.65 58.16 2roq h LYS 79 Cb 0.52 -0.23 -0.10 0.00 -1.00 0.00 0.00 32.23 31.42 2roq h LYS 79 CO -0.56 0.67 0.62 1.25 -2.81 0.00 0.00 179.45 178.61 2roq h LEU 80 N 1.04 0.81 -0.21 5.20 7.12 0.19 0.36 115.31 129.82 2roq h LEU 80 Ca 0.40 0.09 -0.07 0.00 0.13 0.00 0.00 57.88 58.43 2roq h LEU 80 Cb 0.18 -0.06 -0.01 0.00 -0.53 0.00 0.00 40.66 40.24 2roq h LEU 80 CO -0.18 0.31 -0.31 0.00 -0.13 0.00 0.00 178.44 178.13 2roq h ALA 81 N 1.63 0.82 0.00 1.25 0.00 -0.85 -2.32 119.26 119.78 2roq h ALA 81 Ca 0.57 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 55.19 2roq h ALA 81 Cb 0.83 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2roq h ALA 81 CO -0.36 0.39 -0.38 0.25 0.00 0.00 0.00 179.25 179.15 2roq n THR 82 N -3.22 0.38 -0.09 0.00 -2.24 0.92 -1.95 114.28 108.07 2roq n THR 82 Ca 0.02 -0.24 -0.11 0.00 -2.27 0.00 0.00 64.05 61.46 2roq n THR 82 Cb 0.62 -0.26 -0.15 0.00 -2.10 0.00 0.00 70.33 68.44 2roq n THR 82 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 2roq n ILE 83 N -2.07 1.43 0.10 2.28 -5.35 0.79 -0.18 119.36 116.36 2roq n ILE 83 Ca 0.04 -0.83 0.11 0.00 -0.27 0.00 0.00 62.75 61.81 2roq n ILE 83 Cb 0.42 -0.62 -0.01 0.00 -1.74 0.00 0.00 39.64 37.69 2roq n ILE 83 CO 0.00 0.00 0.00 2.30 -1.76 0.00 0.00 176.55 177.09 2roq n ILE 84 N -2.83 0.63 -0.07 7.28 -5.35 -0.88 -1.60 119.36 116.54 2roq n ILE 84 Ca -0.32 -0.55 -0.06 0.00 -0.27 0.00 0.00 62.75 61.54 2roq n ILE 84 Cb 1.13 -0.34 -0.11 0.00 -1.74 0.00 0.00 39.64 38.57 2roq n ILE 84 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 2roq n ASP 85 N -2.67 1.47 -0.02 7.28 2.03 -0.82 -4.77 116.55 119.04 2roq n ASP 85 Ca -0.01 0.00 -0.02 0.00 0.52 0.00 0.00 54.79 55.28 2roq n ASP 85 Cb 0.56 0.90 -0.01 0.00 -0.72 0.00 0.00 41.12 41.85 2roq n ASP 85 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2roq n ALA 86 N -2.50 1.96 -3.02 -1.67 0.00 -1.00 -5.03 120.51 109.24 2roq n ALA 86 Ca -0.22 -0.14 -0.13 0.00 0.00 0.00 0.00 53.44 52.95 2roq n ALA 86 Cb 0.93 0.43 0.06 0.00 0.00 0.00 0.00 19.45 20.87 2roq n ALA 86 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2roq n GLU 87 N -2.61 -2.73 -1.90 0.00 2.13 0.75 -4.92 120.64 111.36 2roq n GLU 87 Ca -0.06 0.73 -0.09 0.00 0.66 0.00 0.00 57.16 58.40 2roq n GLU 87 Cb 0.56 -5.19 0.03 0.00 0.27 0.00 0.00 31.44 27.11 2roq n GLU 87 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 2roq n GLU 88 N -3.11 0.84 -4.52 5.31 2.13 -1.22 -4.99 120.64 115.08 2roq n GLU 88 Ca -0.10 -1.39 -0.21 0.00 0.66 0.00 0.00 57.16 56.12 2roq n GLU 88 Cb 0.61 -0.10 -0.15 0.00 0.27 0.00 0.00 31.44 32.07 2roq n GLU 88 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 2roq s ASP 89 N -2.58 1.41 -0.03 4.31 2.15 -1.26 -4.92 116.67 115.74 2roq s ASP 89 Ca 0.26 -0.22 -0.31 0.00 0.43 0.00 0.00 52.55 52.72 2roq s ASP 89 Cb -0.02 -0.23 0.12 0.00 -0.30 0.00 0.00 42.92 42.49 2roq s ASP 89 CO 0.17 0.13 1.23 -0.44 -0.17 0.00 0.00 175.17 176.08 2roq s SER 90 N -0.14 -0.09 0.17 -0.34 0.01 -1.26 -5.13 113.70 106.90 2roq s SER 90 Ca 0.02 -0.13 -0.34 0.00 1.31 0.00 0.00 55.95 56.81 2roq s SER 90 Cb -0.06 0.20 -0.14 0.00 0.21 0.00 0.00 66.02 66.23 2roq s SER 90 CO -0.00 -0.36 1.49 1.07 0.41 0.00 0.00 173.24 175.85 2roq n THR 91 N -0.40 0.23 0.00 1.44 5.66 -1.26 -4.86 114.28 115.08 2roq n THR 91 Ca -0.06 -0.06 0.00 0.00 -3.05 0.00 0.00 64.05 60.88 2roq n THR 91 Cb 0.62 -1.38 0.00 0.00 -1.55 0.00 0.00 70.33 68.02 2roq n THR 91 CO 0.00 0.00 0.00 -2.11 -3.05 0.00 0.00 175.07 169.91 2roq n ARG 92 N 2.92 0.00 -3.34 1.09 1.85 -1.26 -5.04 116.66 112.88 2roq n ARG 92 Ca 0.16 0.00 -0.18 0.00 -1.00 0.00 0.00 57.85 56.83 2roq n ARG 92 Cb 0.28 -0.80 0.07 0.00 -1.05 0.00 0.00 32.46 30.96 2roq n ARG 92 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 2roq n ARG 93 N -2.20 -6.30 -3.68 2.89 1.74 -1.26 -4.82 116.66 103.02 2roq n ARG 93 Ca 0.00 0.71 -0.12 0.00 -0.77 0.00 0.00 57.85 57.67 2roq n ARG 93 Cb 0.33 -5.37 -0.09 0.00 -1.02 0.00 0.00 32.46 26.31 2roq n ARG 93 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 2roq s MET 94 N -5.71 0.61 -1.55 5.56 -1.94 -1.26 -4.73 119.30 110.28 2roq s MET 94 Ca 0.29 0.83 0.00 0.00 -1.71 0.00 0.00 55.69 55.09 2roq s MET 94 Cb -0.13 0.24 0.00 0.00 2.01 0.00 0.00 34.83 36.95 2roq s MET 94 CO 0.62 -0.10 0.00 0.41 -0.01 0.00 0.00 175.02 175.94 2roq n GLY 95 N 3.21 0.80 0.20 -0.03 0.00 -1.26 -4.68 105.19 103.43 2roq n GLY 95 Ca -0.16 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.00 2roq n GLY 95 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2roq h PHE 96 N 0.00 0.00 -1.74 1.61 3.04 -1.90 -3.45 116.94 114.50 2roq h PHE 96 Ca -0.34 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.61 2roq h PHE 96 Cb 1.11 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.62 2roq h PHE 96 CO 0.51 0.00 0.00 -1.91 -2.02 0.00 0.00 178.31 174.89 2roq n GLU 97 N -2.50 0.00 0.32 1.11 2.13 -1.26 -5.00 120.64 115.43 2roq n GLU 97 Ca -0.01 0.00 0.19 0.00 0.66 0.00 0.00 57.16 58.01 2roq n GLU 97 Cb 0.12 0.00 1.03 0.00 0.27 0.00 0.00 31.44 32.86 2roq n GLU 97 CO 0.00 0.00 0.00 1.15 -0.41 0.00 0.00 177.13 177.87 2roq h THR 98 N 0.74 0.00 -3.27 6.31 2.02 -1.92 -3.38 112.91 113.40 2roq h THR 98 Ca 0.00 0.00 -0.67 0.00 0.77 0.00 0.00 66.41 66.51 2roq h THR 98 Cb 0.00 0.84 -0.32 0.00 -1.74 0.00 0.00 68.15 66.94 2roq h THR 98 CO 0.00 0.00 -0.83 0.27 0.37 0.00 0.00 175.52 175.33 2roq s ILE 99 N -4.07 2.41 0.05 3.11 -0.00 -1.26 -4.09 121.20 117.34 2roq s ILE 99 Ca -0.04 -0.87 0.05 0.00 -0.00 0.00 0.00 60.65 59.78 2roq s ILE 99 Cb 0.11 -1.98 -0.04 0.00 -0.00 0.00 0.00 42.46 40.55 2roq s ILE 99 CO 0.34 0.54 -0.07 -1.48 -0.00 0.00 0.00 174.94 174.27 2roq s LEU 100 N 0.66 3.16 -0.22 0.37 0.05 -1.26 -4.49 118.68 116.95 2roq s LEU 100 Ca -0.09 -0.23 -0.29 0.00 0.05 0.00 0.00 54.13 53.57 2roq s LEU 100 Cb -0.16 -1.87 -0.03 0.00 -2.05 0.00 0.00 46.19 42.08 2roq s LEU 100 CO 0.02 0.23 1.61 -2.16 -0.55 0.00 0.00 176.35 175.50 2roq s PRO 101 N -1.79 3.81 0.22 1.48 0.04 -1.26 -4.27 135.00 133.22 2roq s PRO 101 Ca 0.20 1.67 0.16 0.00 0.04 0.00 0.00 61.00 63.06 2roq s PRO 101 Cb -0.11 -4.03 0.01 0.00 0.04 0.00 0.00 34.50 30.42 2roq s PRO 101 CO 0.11 -1.27 1.25 -0.07 0.04 0.00 0.00 177.00 177.05 2roq h LEU 102 N 11.62 0.00 -6.55 -3.56 3.38 -1.84 -3.46 115.31 114.90 2roq h LEU 102 Ca -0.34 0.00 0.18 0.00 0.09 0.00 0.00 57.88 57.82 2roq h LEU 102 Cb 1.15 0.00 -0.26 0.00 0.09 0.00 0.00 40.66 41.64 2roq h LEU 102 CO 1.00 0.47 0.37 -0.60 0.09 0.00 0.00 178.44 179.77 2roq s ARG 103 N -2.99 0.23 -0.25 1.13 3.52 -1.05 -4.60 118.95 114.93 2roq s ARG 103 Ca 0.02 0.51 -0.03 0.00 -0.13 0.00 0.00 55.73 56.10 2roq s ARG 103 Cb 0.08 0.25 0.10 0.00 -1.56 0.00 0.00 34.95 33.82 2roq s ARG 103 CO 0.76 -0.07 0.19 -2.00 -0.81 0.00 0.00 175.30 173.38 2roq s GLU 104 N 2.02 0.21 0.00 5.12 2.12 -1.26 -1.55 118.70 125.36 2roq s GLU 104 Ca -0.04 -0.18 0.00 0.00 0.36 0.00 0.00 54.97 55.11 2roq s GLU 104 Cb -0.04 -1.13 0.00 0.00 0.26 0.00 0.00 34.13 33.22 2roq s GLU 104 CO -0.16 -0.88 0.00 0.41 -0.54 0.00 0.00 175.26 174.09 2roq n GLY 105 N 5.29 0.18 0.00 -1.50 0.00 -1.26 -5.04 105.19 102.85 2roq n GLY 105 Ca -0.05 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.87 2roq n GLY 105 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2roq n ASN 106 N -1.00 0.00 0.00 1.61 4.05 -1.26 -5.05 115.26 113.61 2roq n ASN 106 Ca 0.00 0.42 0.00 0.00 0.45 0.00 0.00 54.58 55.45 2roq n ASN 106 Cb 0.00 -0.24 0.00 0.00 1.23 0.00 0.00 39.78 40.77 2roq n ASN 106 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2roq n GLY 107 N 1.20 -2.06 3.71 8.20 0.00 -1.26 -5.00 105.19 109.98 2roq n GLY 107 Ca 0.00 0.68 -0.42 0.00 0.00 0.00 0.00 46.02 46.28 2roq n GLY 107 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2roq s PRO 108 N 0.00 4.32 -0.24 1.61 0.04 -1.26 -4.74 135.00 134.74 2roq s PRO 108 Ca 0.00 2.03 -0.08 0.00 0.04 0.00 0.00 61.00 62.99 2roq s PRO 108 Cb 0.00 -3.31 -0.04 0.00 0.04 0.00 0.00 34.50 31.19 2roq s PRO 108 CO 0.00 -0.44 0.10 -0.08 0.04 0.00 0.00 177.00 176.62 2roq s THR 109 N 1.32 4.75 -0.33 1.26 -1.32 -1.25 -0.40 115.64 119.67 2roq s THR 109 Ca 0.64 -0.03 -0.27 0.00 -1.21 0.00 0.00 61.69 60.82 2roq s THR 109 Cb -0.35 -3.21 0.01 0.00 -1.51 0.00 0.00 72.50 67.44 2roq s THR 109 CO 0.30 0.35 0.98 -0.22 -2.21 0.00 0.00 174.62 173.82 2roq s LEU 110 N 1.27 3.98 -0.74 9.08 0.20 0.12 -4.51 118.68 128.08 2roq s LEU 110 Ca 0.06 0.87 -0.26 0.00 0.69 0.00 0.00 54.13 55.49 2roq s LEU 110 Cb -0.14 -3.39 0.04 0.00 -0.43 0.00 0.00 46.19 42.27 2roq s LEU 110 CO 0.05 -0.82 1.22 -0.36 -0.29 0.00 0.00 176.35 176.14 2roq s PHE 111 N 3.48 2.39 -0.25 5.38 0.08 0.95 -0.45 117.98 129.56 2roq s PHE 111 Ca 0.41 -0.23 -0.16 0.00 0.12 0.00 0.00 56.93 57.08 2roq s PHE 111 Cb -0.12 -4.56 -0.04 0.00 -0.57 0.00 0.00 43.02 37.73 2roq s PHE 111 CO 0.16 -1.97 0.40 0.00 -0.10 0.00 0.00 175.22 173.71 2roq s PHE 113 N 1.88 2.29 0.34 0.00 -0.71 -1.23 -2.38 117.98 118.18 2roq s PHE 113 Ca 0.17 1.61 -0.26 0.00 -1.04 0.00 0.00 56.93 57.41 2roq s PHE 113 Cb -0.15 -3.13 -0.13 0.00 -1.21 0.00 0.00 43.02 38.39 2roq s PHE 113 CO 0.09 -2.12 0.94 -2.39 -1.34 0.00 0.00 175.22 170.40 2roq n HIS 114 N -3.75 0.98 -0.51 3.49 1.44 -1.21 -4.60 115.22 111.06 2roq n HIS 114 Ca 0.10 0.65 -0.01 0.00 -2.01 0.00 0.00 57.72 56.45 2roq n HIS 114 Cb 0.53 -2.20 0.01 0.00 0.12 0.00 0.00 29.99 28.44 2roq n HIS 114 CO 0.00 0.00 0.00 -0.35 -2.81 0.00 0.00 176.34 173.18 2roq n PRO 115 N 0.54 -1.12 -0.09 -1.40 -0.04 -1.26 -4.89 135.00 126.74 2roq n PRO 115 Ca 0.10 -0.08 -0.12 0.00 -0.04 0.00 0.00 63.50 63.36 2roq n PRO 115 Cb 0.35 -0.07 -0.05 0.00 -0.04 0.00 0.00 33.50 33.69 2roq n PRO 115 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2roq h ALA 116 N -2.03 0.36 -0.02 0.55 0.00 -1.93 -3.46 119.26 112.72 2roq h ALA 116 Ca -0.02 -0.33 0.29 0.00 0.00 0.00 0.00 54.91 54.85 2roq h ALA 116 Cb 0.06 -0.08 -0.24 0.00 0.00 0.00 0.00 17.79 17.52 2roq h ALA 116 CO 0.01 0.26 0.42 -1.54 0.00 0.00 0.00 179.25 178.40 2roq s SER 117 N -6.27 -0.02 0.00 0.00 1.04 -1.26 -4.52 113.70 102.67 2roq s SER 117 Ca -0.13 0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.32 2roq s SER 117 Cb 0.08 1.02 0.00 0.00 0.10 0.00 0.00 66.02 67.22 2roq s SER 117 CO 0.79 -0.00 0.00 0.61 0.98 0.00 0.00 173.24 175.61 2roq n GLY 118 N 5.10 0.55 3.77 7.32 0.00 -1.26 -4.81 105.19 115.86 2roq n GLY 118 Ca -0.08 -0.98 -0.25 0.00 0.00 0.00 0.00 46.02 44.71 2roq n GLY 118 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2roq s PHE 119 N 0.00 2.52 -0.14 1.61 0.08 -1.26 -4.47 117.98 116.32 2roq s PHE 119 Ca 0.00 -0.61 0.15 0.00 0.12 0.00 0.00 56.93 56.59 2roq s PHE 119 Cb 0.00 -1.97 0.33 0.00 -0.57 0.00 0.00 43.02 40.80 2roq s PHE 119 CO 0.00 0.10 1.17 0.00 -0.10 0.00 0.00 175.22 176.39 2roq n ALA 120 N -1.32 2.81 -0.03 5.36 0.00 -1.26 -4.69 120.51 121.38 2roq n ALA 120 Ca -0.01 -2.75 0.06 0.00 0.00 0.00 0.00 53.44 50.74 2roq n ALA 120 Cb 0.64 -0.40 0.26 0.00 0.00 0.00 0.00 19.45 19.95 2roq n ALA 120 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 2roq n TRP 121 N -1.07 1.12 -0.19 0.00 5.03 -1.26 -3.86 117.44 117.22 2roq n TRP 121 Ca 0.15 -0.44 0.07 0.00 3.03 0.00 0.00 57.50 60.31 2roq n TRP 121 Cb 0.70 -0.22 0.18 0.00 -1.03 0.00 0.00 31.31 30.94 2roq n TRP 121 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 2roq n GLN 122 N 0.71 2.78 0.00 -0.99 10.64 -1.26 -4.43 117.38 124.83 2roq n GLN 122 Ca 0.19 -2.14 0.08 0.00 -1.83 0.00 0.00 57.00 53.30 2roq n GLN 122 Cb 0.70 -1.32 0.35 0.00 -0.86 0.00 0.00 30.24 29.11 2roq n GLN 122 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42 2roq n PHE 123 N 0.72 0.00 0.24 2.61 3.72 -1.25 -3.00 117.46 120.50 2roq n PHE 123 Ca 0.14 0.00 0.18 0.00 -0.05 0.00 0.00 57.45 57.72 2roq n PHE 123 Cb 0.46 -0.45 0.86 0.00 -0.94 0.00 0.00 39.48 39.41 2roq n PHE 123 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 2roq h SER 124 N 0.00 0.00 -0.82 4.37 0.87 -1.85 -1.08 113.55 115.04 2roq h SER 124 Ca 0.00 0.00 0.08 0.00 -1.23 0.00 0.00 61.79 60.64 2roq h SER 124 Cb 0.24 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 62.13 2roq h SER 124 CO 0.00 0.00 0.49 1.62 -0.53 0.00 0.00 176.83 178.41 2roq h VAL 125 N 0.00 0.97 0.00 2.23 3.04 -1.92 -1.91 116.25 118.66 2roq h VAL 125 Ca 0.07 -0.29 -0.22 0.00 -1.01 0.00 0.00 66.70 65.25 2roq h VAL 125 Cb 0.61 0.04 -0.03 0.00 -2.01 0.00 0.00 31.29 29.90 2roq h VAL 125 CO -0.00 0.16 -1.15 0.25 -1.01 0.00 0.00 177.57 175.82 2roq h LEU 126 N 0.85 0.00 -2.07 3.16 6.46 -1.49 -2.14 115.31 120.09 2roq h LEU 126 Ca 0.37 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 58.13 2roq h LEU 126 Cb 0.26 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.19 2roq h LEU 126 CO -0.21 0.95 -0.03 -1.28 -0.62 0.00 0.00 178.44 177.26 2roq h SER 127 N 0.00 0.00 0.00 1.25 0.87 -1.14 0.25 113.55 114.78 2roq h SER 127 Ca -0.08 0.00 -0.37 0.00 -1.23 0.00 0.00 61.79 60.11 2roq h SER 127 Cb 1.80 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 63.69 2roq h SER 127 CO 0.11 0.03 -2.37 -1.14 -0.53 0.00 0.00 176.83 172.92 2roq n ARG 128 N -4.30 0.74 0.07 2.24 0.63 -0.82 -4.11 116.66 111.10 2roq n ARG 128 Ca -0.03 0.00 -0.07 0.00 -0.92 0.00 0.00 57.85 56.84 2roq n ARG 128 Cb 0.11 -1.51 0.09 0.00 0.45 0.00 0.00 32.46 31.60 2roq n ARG 128 CO 0.00 0.00 0.00 1.88 -2.51 0.00 0.00 177.63 177.00 2roq h TYR 129 N 0.00 0.41 0.00 -0.14 0.05 -1.05 -3.39 116.97 112.86 2roq h TYR 129 Ca -0.54 -0.16 0.00 0.00 0.05 0.00 0.00 58.73 58.07 2roq h TYR 129 Cb 2.20 -0.07 0.00 0.00 1.01 0.00 0.00 36.73 39.87 2roq h TYR 129 CO 0.00 0.86 0.00 1.28 -1.05 0.00 0.00 178.16 179.25 2roq n LEU 130 N -3.87 0.00 0.00 3.88 7.99 0.85 -4.91 117.00 120.94 2roq n LEU 130 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.97 2roq n LEU 130 Cb 0.64 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.95 2roq n LEU 130 CO 0.46 0.00 0.00 0.47 -1.51 0.00 0.00 177.39 176.81 2roq n ASP 131 N 0.00 0.00 0.01 -1.43 9.92 -1.26 -4.94 116.55 118.84 2roq n ASP 131 Ca 0.00 0.00 0.07 0.00 -0.53 0.00 0.00 54.79 54.33 2roq n ASP 131 Cb 0.00 0.00 0.31 0.00 -0.64 0.00 0.00 41.12 40.79 2roq n ASP 131 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 2roq n PRO 132 N 0.00 0.01 -2.88 -0.24 -0.04 -1.26 -4.86 135.00 125.73 2roq n PRO 132 Ca 0.00 0.26 -0.16 0.00 -0.04 0.00 0.00 63.50 63.56 2roq n PRO 132 Cb 0.00 -1.52 -0.00 0.00 -0.04 0.00 0.00 33.50 31.94 2roq n PRO 132 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2roq n GLN 133 N -1.53 -2.82 -0.71 0.54 6.02 -1.26 -4.89 117.38 112.73 2roq n GLN 133 Ca 0.03 0.47 -0.33 0.00 -0.01 0.00 0.00 57.00 57.16 2roq n GLN 133 Cb 0.17 -5.10 0.16 0.00 1.02 0.00 0.00 30.24 26.48 2roq n GLN 133 CO 0.00 0.00 0.00 -2.67 -1.01 0.00 0.00 177.06 173.38 2roq n TRP 134 N -3.53 -1.41 -1.75 1.08 2.14 -1.26 -4.71 117.44 108.00 2roq n TRP 134 Ca -0.07 0.20 -0.35 0.00 2.07 0.00 0.00 57.50 59.35 2roq n TRP 134 Cb 0.57 -1.54 0.06 0.00 -0.81 0.00 0.00 31.31 29.58 2roq n TRP 134 CO 0.00 0.00 0.00 0.45 2.07 0.00 0.00 177.69 180.21 2roq s SER 135 N -1.75 4.83 0.00 -0.67 0.15 0.47 -4.88 113.70 111.84 2roq s SER 135 Ca 0.54 2.27 -0.14 0.00 0.70 0.00 0.00 55.95 59.32 2roq s SER 135 Cb -0.09 -2.58 0.02 0.00 -1.71 0.00 0.00 66.02 61.65 2roq s SER 135 CO 0.66 -1.83 0.29 -0.63 1.20 0.00 0.00 173.24 172.92 2roq s ILE 136 N -1.93 0.07 -0.07 6.45 1.01 -0.59 0.15 121.20 126.28 2roq s ILE 136 Ca 0.73 -0.56 -0.07 0.00 0.00 0.00 0.00 60.65 60.76 2roq s ILE 136 Cb -0.27 -0.68 0.02 0.00 0.01 0.00 0.00 42.46 41.54 2roq s ILE 136 CO 0.39 -0.31 0.19 -0.63 0.00 0.00 0.00 174.94 174.58 2roq s ILE 137 N -1.65 0.00 -0.05 2.92 1.01 0.41 -2.21 121.20 121.63 2roq s ILE 137 Ca -0.12 -0.02 0.04 0.00 0.00 0.00 0.00 60.65 60.55 2roq s ILE 137 Cb -0.04 -0.28 -0.00 0.00 0.01 0.00 0.00 42.46 42.15 2roq s ILE 137 CO 0.02 -0.01 -0.18 -0.83 0.00 0.00 0.00 174.94 173.94 2roq s GLY 138 N 0.05 0.96 -0.78 6.18 0.00 -1.26 -0.02 107.32 112.46 2roq s GLY 138 Ca -0.00 -0.70 -0.19 0.00 0.00 0.00 0.00 44.72 43.83 2roq s GLY 138 CO 0.00 -0.31 0.94 -1.50 0.00 0.00 0.00 173.10 172.23 2roq s ILE 139 N 0.13 4.79 0.15 0.90 1.10 -1.00 -4.31 121.20 122.95 2roq s ILE 139 Ca -0.06 -1.32 -0.18 0.00 -0.51 0.00 0.00 60.65 58.58 2roq s ILE 139 Cb -0.13 -4.65 0.04 0.00 0.15 0.00 0.00 42.46 37.88 2roq s ILE 139 CO 0.03 -1.34 0.47 -1.58 -2.11 0.00 0.00 174.94 170.41 2roq s GLN 140 N 2.61 1.17 0.01 3.50 2.00 -1.26 -3.28 119.66 124.40 2roq s GLN 140 Ca 0.23 -0.69 -0.28 0.00 -2.00 0.00 0.00 55.36 52.63 2roq s GLN 140 Cb -0.13 0.51 0.10 0.00 0.80 0.00 0.00 33.01 34.29 2roq s GLN 140 CO -0.02 -0.48 0.86 -1.54 -0.50 0.00 0.00 175.29 173.61 2roq s SER 141 N -2.81 -0.39 0.10 6.67 1.04 -1.26 -4.65 113.70 112.39 2roq s SER 141 Ca 0.04 0.03 -0.31 0.00 0.48 0.00 0.00 55.95 56.19 2roq s SER 141 Cb 0.01 0.41 -0.07 0.00 0.10 0.00 0.00 66.02 66.46 2roq s SER 141 CO -0.11 -0.65 1.37 -2.16 0.98 0.00 0.00 173.24 172.68 2roq s PRO 142 N -3.06 4.33 -0.33 4.02 0.04 -1.26 -4.91 135.00 133.83 2roq s PRO 142 Ca 0.04 2.03 0.01 0.00 0.04 0.00 0.00 61.00 63.12 2roq s PRO 142 Cb -0.01 -3.30 0.14 0.00 0.04 0.00 0.00 34.50 31.38 2roq s PRO 142 CO -0.09 -0.43 0.32 0.50 0.04 0.00 0.00 177.00 177.34 2roq s ARG 143 N 1.24 0.46 0.22 4.56 6.06 -1.26 -5.01 118.95 125.22 2roq s ARG 143 Ca 0.64 -0.49 -0.01 0.00 -2.50 0.00 0.00 55.73 53.36 2roq s ARG 143 Cb -0.35 -0.72 0.21 0.00 0.06 0.00 0.00 34.95 34.15 2roq s ARG 143 CO 0.30 -1.11 1.58 -1.00 -2.50 0.00 0.00 175.30 172.57 2roq h PRO 144 N 7.72 0.56 0.00 5.12 0.13 -1.91 -3.43 132.00 140.19 2roq h PRO 144 Ca -0.05 -0.29 -0.04 0.00 -0.87 0.00 0.00 66.00 64.75 2roq h PRO 144 Cb 1.06 0.01 -0.05 0.00 0.13 0.00 0.00 31.00 32.15 2roq h PRO 144 CO 0.28 0.88 0.11 -1.71 -0.23 0.00 0.00 178.00 177.33 2roq n ASN 145 N -4.02 -0.61 -4.66 1.44 2.85 -1.26 -4.81 115.26 104.19 2roq n ASN 145 Ca -0.02 -1.35 -0.29 0.00 -0.11 0.00 0.00 54.58 52.82 2roq n ASN 145 Cb 0.53 0.54 0.17 0.00 1.24 0.00 0.00 39.78 42.26 2roq n ASN 145 CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 2roq s GLY 146 N -0.10 1.58 0.14 8.20 0.00 -1.26 -4.95 107.32 110.94 2roq s GLY 146 Ca 0.01 -0.19 -0.11 0.00 0.00 0.00 0.00 44.72 44.43 2roq s GLY 146 CO -0.01 0.39 1.47 -0.56 0.00 0.00 0.00 173.10 174.39 2roq h PRO 147 N -1.88 0.91 0.00 2.90 0.13 -2.02 -2.82 132.00 129.23 2roq h PRO 147 Ca -0.53 -0.48 0.00 0.00 -0.87 0.00 0.00 66.00 64.12 2roq h PRO 147 Cb 1.31 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.46 2roq h PRO 147 CO 0.55 1.13 0.00 -1.33 -0.23 0.00 0.00 178.00 178.12 2roq n MET 148 N -4.09 0.31 0.01 0.86 2.81 -1.26 -2.52 117.12 113.24 2roq n MET 148 Ca -0.02 0.07 0.13 0.00 -1.81 0.00 0.00 57.70 56.06 2roq n MET 148 Cb 0.54 -1.50 0.36 0.00 -0.71 0.00 0.00 33.22 31.91 2roq n MET 148 CO 0.00 0.00 0.00 0.94 1.51 0.00 0.00 175.97 178.42 2roq n GLN 149 N -1.30 0.04 0.09 0.03 7.27 -1.06 0.00 117.38 122.46 2roq n GLN 149 Ca 0.11 0.02 -0.04 0.00 0.07 0.00 0.00 57.00 57.16 2roq n GLN 149 Cb 0.19 -1.53 -0.02 0.00 2.41 0.00 0.00 30.24 31.29 2roq n GLN 149 CO 0.00 0.00 0.00 1.79 0.07 0.00 0.00 177.06 178.92 2roq h THR 150 N 0.00 0.00 0.00 1.69 1.35 -1.58 -3.43 112.91 110.95 2roq h THR 150 Ca 0.00 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.54 2roq h THR 150 Cb 0.54 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.96 2roq h THR 150 CO 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.27 2roq n ALA 151 N -2.38 0.72 -0.38 6.62 0.00 -1.26 -4.77 120.51 119.06 2roq n ALA 151 Ca -0.03 -0.28 0.11 0.00 0.00 0.00 0.00 53.44 53.24 2roq n ALA 151 Cb 0.10 0.00 0.31 0.00 0.00 0.00 0.00 19.45 19.87 2roq n ALA 151 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2roq n ALA 152 N -0.03 2.42 -0.59 0.00 0.00 -0.83 -4.69 120.51 116.79 2roq n ALA 152 Ca 0.00 -1.32 0.00 0.00 0.00 0.00 0.00 53.44 52.12 2roq n ALA 152 Cb 0.30 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 18.87 2roq n ALA 152 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2roq n ASN 153 N 1.49 0.00 -0.19 0.00 5.03 0.10 0.33 115.26 122.02 2roq n ASN 153 Ca 0.23 0.70 0.00 0.00 0.87 0.00 0.00 54.58 56.39 2roq n ASN 153 Cb 0.63 -0.20 0.10 0.00 -1.02 0.00 0.00 39.78 39.29 2roq n ASN 153 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.26 175.36 2roq h LEU 154 N 0.00 -0.16 -0.50 3.41 3.38 -1.88 -1.00 115.31 118.56 2roq h LEU 154 Ca 0.00 0.13 0.10 0.00 0.09 0.00 0.00 57.88 58.20 2roq h LEU 154 Cb 0.00 0.22 -0.09 0.00 0.09 0.00 0.00 40.66 40.88 2roq h LEU 154 CO 0.00 -0.06 -0.04 -0.78 0.09 0.00 0.00 178.44 177.64 2roq h ASP 155 N 0.17 -0.30 0.16 -0.43 1.82 -1.81 0.28 116.42 116.31 2roq h ASP 155 Ca 0.31 0.13 -0.01 0.00 -0.39 0.00 0.00 57.03 57.07 2roq h ASP 155 Cb 0.49 0.25 0.00 0.00 0.68 0.00 0.00 39.33 40.75 2roq h ASP 155 CO -0.46 -0.11 -0.09 -0.33 -1.61 0.00 0.00 179.24 176.64 2roq h GLU 156 N 0.07 -0.22 -1.15 0.28 4.39 0.12 -1.42 114.58 116.65 2roq h GLU 156 Ca 0.25 0.01 0.32 0.00 0.34 0.00 0.00 59.36 60.29 2roq h GLU 156 Cb 0.39 0.05 -0.08 0.00 -0.10 0.00 0.00 28.75 29.01 2roq h GLU 156 CO -0.46 -0.14 0.79 -0.39 -1.16 0.00 0.00 179.01 177.64 2roq h VAL 157 N -0.22 0.42 0.62 3.13 -1.51 -1.24 0.25 116.25 117.68 2roq h VAL 157 Ca -0.02 -0.06 -0.03 0.00 -1.23 0.00 0.00 66.70 65.36 2roq h VAL 157 Cb 0.18 0.23 0.01 0.00 -2.13 0.00 0.00 31.29 29.57 2roq h VAL 157 CO 0.03 0.03 -0.30 0.00 -1.23 0.00 0.00 177.57 176.11 2roq h GLU 159 N -1.00 0.06 0.02 0.00 4.39 -0.03 -2.12 114.58 115.90 2roq h GLU 159 Ca -0.08 -0.02 0.02 0.00 0.34 0.00 0.00 59.36 59.61 2roq h GLU 159 Cb 0.68 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.28 2roq h GLU 159 CO 0.14 0.31 -0.43 0.00 -1.16 0.00 0.00 179.01 177.87 2roq h ALA 160 N 0.75 -0.87 -0.17 3.43 0.00 -0.64 0.21 119.26 121.96 2roq h ALA 160 Ca 0.01 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 54.90 2roq h ALA 160 Cb 0.28 0.86 -0.07 0.00 0.00 0.00 0.00 17.79 18.86 2roq h ALA 160 CO 0.00 -1.00 -0.32 1.25 0.00 0.00 0.00 179.25 179.19 2roq h HIS 161 N -0.55 -0.87 -0.44 0.00 -0.00 -1.26 -1.94 115.15 110.08 2roq h HIS 161 Ca 0.01 0.04 0.09 0.00 -0.00 0.00 0.00 60.37 60.51 2roq h HIS 161 Cb 0.59 0.41 -0.09 0.00 -0.00 0.00 0.00 27.41 28.31 2roq h HIS 161 CO -0.48 -0.39 -0.16 -0.07 -0.00 0.00 0.00 177.93 176.83 2roq h LEU 162 N -0.37 -0.56 -0.64 0.26 -0.00 -1.03 0.35 115.31 113.31 2roq h LEU 162 Ca 0.11 0.15 0.13 0.00 -0.00 0.00 0.00 57.88 58.27 2roq h LEU 162 Cb 0.54 0.33 -0.10 0.00 -0.00 0.00 0.00 40.66 41.43 2roq h LEU 162 CO -0.37 -0.20 0.10 0.00 -0.00 0.00 0.00 178.44 177.97 2roq h ALA 163 N 1.31 0.74 0.00 1.53 0.00 0.12 0.79 119.26 123.75 2roq h ALA 163 Ca 0.21 0.16 -0.13 0.00 0.00 0.00 0.00 54.91 55.16 2roq h ALA 163 Cb 0.39 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 2roq h ALA 163 CO -0.49 -0.34 -0.60 1.15 0.00 0.00 0.00 179.25 178.97 2roq h THR 164 N 0.21 1.40 0.69 0.00 2.02 -0.48 -1.75 112.91 115.01 2roq h THR 164 Ca 0.34 -2.08 -0.03 0.00 0.77 0.00 0.00 66.41 65.41 2roq h THR 164 Cb 0.55 2.13 0.01 0.00 -1.74 0.00 0.00 68.15 69.09 2roq h THR 164 CO -0.47 0.59 -0.33 -0.07 0.37 0.00 0.00 175.52 175.61 2roq h LEU 165 N 0.00 -0.78 -0.44 2.58 4.07 0.20 -2.06 115.31 118.88 2roq h LEU 165 Ca -0.01 0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.97 2roq h LEU 165 Cb 1.08 0.20 0.00 0.00 1.08 0.00 0.00 40.66 43.02 2roq h LEU 165 CO 0.08 -0.52 0.00 -0.07 -1.08 0.00 0.00 178.44 176.84 2roq h LEU 166 N -0.98 0.00 -0.25 1.67 -0.00 -1.33 0.25 115.31 114.67 2roq h LEU 166 Ca -0.09 0.00 -0.16 0.00 -0.00 0.00 0.00 57.88 57.62 2roq h LEU 166 Cb 0.72 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.38 2roq h LEU 166 CO 0.16 0.00 -0.47 -0.08 -0.00 0.00 0.00 178.44 178.04 2roq h GLU 167 N 0.00 0.76 0.00 1.13 4.57 -0.98 -3.01 114.58 117.05 2roq h GLU 167 Ca 0.00 -0.48 -0.41 0.00 -1.18 0.00 0.00 59.36 57.28 2roq h GLU 167 Cb 0.55 0.06 -0.07 0.00 -0.16 0.00 0.00 28.75 29.13 2roq h GLU 167 CO 0.00 1.11 -2.50 1.04 -1.18 0.00 0.00 179.01 177.48 2roq n GLN 168 N -4.12 0.63 -3.61 1.92 1.13 -0.80 -4.75 117.38 107.78 2roq n GLN 168 Ca -0.05 0.18 -0.27 0.00 -1.94 0.00 0.00 57.00 54.92 2roq n GLN 168 Cb 0.58 -1.51 -0.10 0.00 0.11 0.00 0.00 30.24 29.33 2roq n GLN 168 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 2roq n GLN 169 N -3.57 1.97 0.21 -1.09 6.02 0.88 -4.90 117.38 116.90 2roq n GLN 169 Ca -0.49 -4.41 0.15 0.00 -0.01 0.00 0.00 57.00 52.24 2roq n GLN 169 Cb 0.96 -2.17 0.60 0.00 1.02 0.00 0.00 30.24 30.65 2roq n GLN 169 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 2roq h PRO 170 N 4.76 0.00 -2.28 -1.09 0.13 -1.62 -3.37 132.00 128.54 2roq h PRO 170 Ca 0.17 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.26 2roq h PRO 170 Cb 0.73 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 31.63 2roq h PRO 170 CO 0.73 0.00 -0.10 -3.38 -0.23 0.00 0.00 178.00 175.02 2roq s HIS 171 N -3.51 -0.85 0.00 1.56 -3.43 -1.26 -4.96 115.29 102.85 2roq s HIS 171 Ca 0.02 1.76 0.00 0.00 -0.80 0.00 0.00 55.06 56.04 2roq s HIS 171 Cb 0.09 0.45 0.00 0.00 -1.43 0.00 0.00 32.58 31.69 2roq s HIS 171 CO 0.47 -0.43 0.00 0.41 -2.00 0.00 0.00 174.74 173.18 2roq n GLY 172 N 4.11 1.11 3.61 -1.38 0.00 -1.26 -5.05 105.19 106.33 2roq n GLY 172 Ca -0.20 -2.01 -0.43 0.00 0.00 0.00 0.00 46.02 43.38 2roq n GLY 172 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2roq s PRO 173 N -1.05 3.56 0.36 1.61 0.04 -1.26 -4.74 135.00 133.52 2roq s PRO 173 Ca 0.00 1.46 0.01 0.00 0.04 0.00 0.00 61.00 62.51 2roq s PRO 173 Cb 0.00 -4.10 -0.02 0.00 0.04 0.00 0.00 34.50 30.41 2roq s PRO 173 CO 0.00 -1.58 0.56 0.71 0.04 0.00 0.00 177.00 176.73 2roq s TYR 174 N 5.96 3.39 -0.26 0.56 2.02 -1.26 -4.81 117.35 122.96 2roq s TYR 174 Ca 0.74 0.24 -0.02 0.00 -0.37 0.00 0.00 57.07 57.65 2roq s TYR 174 Cb -0.22 -1.98 0.08 0.00 -0.40 0.00 0.00 41.96 39.44 2roq s TYR 174 CO 0.32 0.01 0.08 0.71 -1.57 0.00 0.00 175.55 175.10 2roq s TYR 175 N -2.34 1.16 0.24 2.71 2.02 -1.26 -1.79 117.35 118.09 2roq s TYR 175 Ca 0.42 -1.21 0.05 0.00 -0.37 0.00 0.00 57.07 55.96 2roq s TYR 175 Cb -0.10 -1.28 -0.03 0.00 -0.40 0.00 0.00 41.96 40.15 2roq s TYR 175 CO 0.36 -0.76 0.31 -1.17 -1.57 0.00 0.00 175.55 172.72 2roq s LEU 176 N 1.81 4.19 -0.03 -1.29 2.96 0.53 -0.04 118.68 126.82 2roq s LEU 176 Ca 0.05 -0.01 -0.01 0.00 -0.22 0.00 0.00 54.13 53.94 2roq s LEU 176 Cb -0.17 -2.73 0.02 0.00 0.50 0.00 0.00 46.19 43.81 2roq s LEU 176 CO -0.21 -0.05 0.06 -0.22 -1.32 0.00 0.00 176.35 174.61 2roq s LEU 177 N -3.90 1.43 -0.01 -0.68 2.96 -1.17 -0.02 118.68 117.29 2roq s LEU 177 Ca 0.34 0.11 0.07 0.00 -0.22 0.00 0.00 54.13 54.43 2roq s LEU 177 Cb -0.09 0.13 -0.02 0.00 0.50 0.00 0.00 46.19 46.70 2roq s LEU 177 CO 0.28 -0.07 -0.22 -0.83 -1.32 0.00 0.00 176.35 174.19 2roq s GLY 178 N 0.51 1.40 -0.16 7.98 0.00 0.10 -3.57 107.32 113.58 2roq s GLY 178 Ca -0.04 -1.12 -0.05 0.00 0.00 0.00 0.00 44.72 43.52 2roq s GLY 178 CO -0.02 -0.94 0.29 -0.47 0.00 0.00 0.00 173.10 171.96 2roq s TYR 179 N -0.71 -0.48 0.00 1.90 5.04 -1.26 -2.91 117.35 118.92 2roq s TYR 179 Ca 0.11 0.93 0.00 0.00 -2.44 0.00 0.00 57.07 55.67 2roq s TYR 179 Cb -0.10 -0.04 0.00 0.00 0.35 0.00 0.00 41.96 42.17 2roq s TYR 179 CO 0.01 -0.43 0.00 0.43 -1.34 0.00 0.00 175.55 174.21 2roq n SER 180 N 5.35 0.00 -0.20 4.32 7.64 -1.14 -2.60 113.62 126.99 2roq n SER 180 Ca -0.06 0.00 0.13 0.00 1.01 0.00 0.00 58.87 59.95 2roq n SER 180 Cb 0.50 0.00 0.39 0.00 -1.01 0.00 0.00 64.21 64.09 2roq n SER 180 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2roq n LEU 181 N 0.00 0.90 0.12 -3.43 4.32 -1.26 -4.09 117.00 113.56 2roq n LEU 181 Ca 0.00 -0.20 0.20 0.00 -0.02 0.00 0.00 56.01 55.99 2roq n LEU 181 Cb 0.00 -0.15 0.75 0.00 -1.62 0.00 0.00 43.42 42.40 2roq n LEU 181 CO 0.00 0.17 1.17 1.23 -1.22 0.00 0.00 177.39 178.75 2roq h GLY 182 N 4.94 0.00 0.03 -0.72 0.00 -1.78 -2.10 103.07 103.44 2roq h GLY 182 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2roq h GLY 182 CO 0.00 0.00 -0.05 -1.33 0.00 0.00 0.00 176.54 175.16 2roq h GLY 183 N 0.00 -1.04 1.30 4.60 0.00 -1.75 0.45 103.07 106.62 2roq h GLY 183 Ca 0.17 0.46 -0.14 0.00 0.00 0.00 0.00 47.33 47.82 2roq h GLY 183 CO -0.00 -0.38 -0.37 -0.91 0.00 0.00 0.00 176.54 174.88 2roq h THR 184 N -0.08 1.28 0.01 4.70 1.35 -1.85 -2.14 112.91 116.18 2roq h THR 184 Ca -0.00 -1.53 -0.00 0.00 -0.55 0.00 0.00 66.41 64.33 2roq h THR 184 Cb 0.08 1.41 0.00 0.00 -1.73 0.00 0.00 68.15 67.91 2roq h THR 184 CO -0.02 0.50 -0.01 -0.07 -0.25 0.00 0.00 175.52 175.67 2roq h LEU 185 N 0.64 -0.02 -1.60 3.87 -0.00 -1.34 -2.09 115.31 114.78 2roq h LEU 185 Ca 0.06 0.00 0.23 0.00 -0.00 0.00 0.00 57.88 58.17 2roq h LEU 185 Cb 0.91 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 41.51 2roq h LEU 185 CO 0.08 -0.01 0.63 0.00 -0.00 0.00 0.00 178.44 179.14 2roq h ALA 186 N -1.99 2.38 0.51 1.53 0.00 -0.21 -1.58 119.26 119.90 2roq h ALA 186 Ca -0.00 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2roq h ALA 186 Cb 0.01 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2roq h ALA 186 CO 0.00 -0.69 -0.37 1.96 0.00 0.00 0.00 179.25 180.15 2roq h GLN 187 N 0.30 -0.83 -0.76 0.00 4.20 -1.25 0.28 115.11 117.05 2roq h GLN 187 Ca 0.49 0.06 0.00 0.00 0.06 0.00 0.00 58.65 59.26 2roq h GLN 187 Cb 1.39 0.19 -0.04 0.00 0.30 0.00 0.00 27.48 29.33 2roq h GLN 187 CO -0.16 -0.55 0.49 0.78 -0.67 0.00 0.00 178.83 178.72 2roq h GLY 188 N -0.86 1.09 0.87 3.46 0.00 -0.60 -2.10 103.07 104.93 2roq h GLY 188 Ca -0.06 -0.42 -0.01 0.00 0.00 0.00 0.00 47.33 46.84 2roq h GLY 188 CO 0.02 0.41 -0.11 -2.22 0.00 0.00 0.00 176.54 174.64 2roq h ILE 189 N 1.04 0.82 -0.15 2.60 2.04 -1.19 -1.97 117.51 120.70 2roq h ILE 189 Ca 0.28 -0.27 0.05 0.00 1.00 0.00 0.00 64.86 65.92 2roq h ILE 189 Cb -0.09 0.98 -0.06 0.00 -0.74 0.00 0.00 36.82 36.90 2roq h ILE 189 CO -0.06 0.06 -0.30 0.00 0.00 0.00 0.00 178.15 177.85 2roq h ALA 190 N 0.30 -0.32 -0.28 1.87 0.00 -0.33 0.56 119.26 121.05 2roq h ALA 190 Ca -0.03 0.03 0.08 0.00 0.00 0.00 0.00 54.91 54.99 2roq h ALA 190 Cb 0.34 0.58 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 2roq h ALA 190 CO 0.05 -0.77 0.22 0.00 0.00 0.00 0.00 179.25 178.75 2roq h ALA 191 N 0.49 2.20 -0.36 0.00 0.00 -1.36 -0.46 119.26 119.78 2roq h ALA 191 Ca 0.10 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 2roq h ALA 191 Cb 0.53 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2roq h ALA 191 CO -0.36 -0.37 -0.26 -0.09 0.00 0.00 0.00 179.25 178.17 2roq h ARG 192 N 0.00 0.74 0.21 0.00 9.65 -0.10 -2.13 114.38 122.75 2roq h ARG 192 Ca 0.14 -0.31 -0.01 0.00 -1.10 0.00 0.00 59.98 58.69 2roq h ARG 192 Cb 0.57 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 29.13 2roq h ARG 192 CO -0.00 0.92 -0.10 -0.07 2.80 0.00 0.00 179.97 183.52 2roq h LEU 193 N 0.64 -0.24 -2.03 3.80 3.38 -0.40 0.29 115.31 120.75 2roq h LEU 193 Ca 0.08 -0.24 0.13 0.00 0.09 0.00 0.00 57.88 57.93 2roq h LEU 193 Cb 0.77 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.57 2roq h LEU 193 CO 0.06 0.28 0.40 0.08 0.09 0.00 0.00 178.44 179.35 2roq h ARG 194 N -0.95 0.00 0.00 1.13 0.11 -1.43 0.95 114.38 114.19 2roq h ARG 194 Ca -0.03 0.00 -0.25 0.00 0.10 0.00 0.00 59.98 59.80 2roq h ARG 194 Cb 0.47 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.51 2roq h ARG 194 CO 0.05 0.00 -1.75 0.00 0.10 0.00 0.00 179.97 178.37 2roq n ALA 195 N -2.44 1.73 0.27 0.08 0.00 -0.80 -4.02 120.51 115.32 2roq n ALA 195 Ca 0.08 -0.79 0.15 0.00 0.00 0.00 0.00 53.44 52.88 2roq n ALA 195 Cb 0.59 -0.75 0.69 0.00 0.00 0.00 0.00 19.45 19.98 2roq n ALA 195 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2roq h ARG 196 N 0.00 0.00 0.00 0.00 2.47 0.21 -3.46 114.38 113.60 2roq h ARG 196 Ca -0.28 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.44 2roq h ARG 196 Cb 1.85 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 30.17 2roq h ARG 196 CO 0.05 0.09 0.00 0.41 0.56 0.00 0.00 179.97 181.08 2roq n GLY 197 N -0.23 1.62 3.75 0.04 0.00 -0.77 -5.06 105.19 104.54 2roq n GLY 197 Ca -0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.74 2roq n GLY 197 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2roq s GLU 198 N -0.04 2.18 -0.11 1.61 2.02 -0.81 -5.05 118.70 118.50 2roq s GLU 198 Ca 0.00 -2.03 0.02 0.00 0.02 0.00 0.00 54.97 52.98 2roq s GLU 198 Cb 0.00 -1.86 0.01 0.00 0.10 0.00 0.00 34.13 32.39 2roq s GLU 198 CO 0.00 -0.24 -0.16 1.14 0.02 0.00 0.00 175.26 176.02 2roq s GLN 199 N -3.93 2.28 0.25 1.61 0.00 -1.26 -4.04 119.66 114.57 2roq s GLN 199 Ca 0.32 -0.58 -0.24 0.00 -0.00 0.00 0.00 55.36 54.85 2roq s GLN 199 Cb 0.03 -1.92 -0.09 0.00 0.00 0.00 0.00 33.01 31.03 2roq s GLN 199 CO 0.18 -0.06 0.84 0.14 0.00 0.00 0.00 175.29 176.39 2roq s VAL 200 N 0.96 4.35 -0.22 3.63 -7.23 -1.26 -4.38 120.40 116.26 2roq s VAL 200 Ca -0.07 1.64 0.01 0.00 -1.81 0.00 0.00 61.98 61.75 2roq s VAL 200 Cb -0.15 -4.01 -0.20 0.00 0.56 0.00 0.00 36.38 32.58 2roq s VAL 200 CO -0.01 0.27 -0.06 0.00 -0.31 0.00 0.00 175.10 174.98 2roq n ALA 201 N 0.89 1.31 -3.41 1.32 0.00 -1.14 -4.71 120.51 114.76 2roq n ALA 201 Ca -0.01 -0.99 0.01 0.00 0.00 0.00 0.00 53.44 52.45 2roq n ALA 201 Cb 0.50 -0.25 -0.03 0.00 0.00 0.00 0.00 19.45 19.67 2roq n ALA 201 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 2roq s PHE 202 N -2.53 -1.34 -0.57 0.00 5.36 -0.74 -4.71 117.98 113.45 2roq s PHE 202 Ca -0.30 1.91 0.00 0.00 -0.96 0.00 0.00 56.93 57.57 2roq s PHE 202 Cb 0.08 0.65 0.15 0.00 -0.34 0.00 0.00 43.02 43.56 2roq s PHE 202 CO 0.65 -0.70 0.35 -0.51 -1.46 0.00 0.00 175.22 173.56 2roq s LEU 203 N 2.84 4.87 0.24 6.12 1.43 -1.22 -0.34 118.68 132.62 2roq s LEU 203 Ca 0.05 -2.88 -0.30 0.00 -1.03 0.00 0.00 54.13 49.96 2roq s LEU 203 Cb -0.12 -1.76 -0.10 0.00 0.03 0.00 0.00 46.19 44.23 2roq s LEU 203 CO -0.19 -0.32 1.50 -0.83 0.23 0.00 0.00 176.35 176.74 2roq s GLY 204 N 0.34 2.13 -0.04 -3.19 0.00 0.97 -3.08 107.32 104.44 2roq s GLY 204 Ca 0.17 1.39 -0.02 0.00 0.00 0.00 0.00 44.72 46.26 2roq s GLY 204 CO -0.02 2.41 0.05 1.08 0.00 0.00 0.00 173.10 176.62 2roq s LEU 205 N -0.11 0.23 -0.21 0.66 1.43 0.90 0.00 118.68 121.58 2roq s LEU 205 Ca 0.62 0.06 -0.06 0.00 -1.03 0.00 0.00 54.13 53.72 2roq s LEU 205 Cb -0.44 -0.16 -0.03 0.00 0.03 0.00 0.00 46.19 45.59 2roq s LEU 205 CO 0.42 -0.24 0.04 -0.76 0.23 0.00 0.00 176.35 176.04 2roq s LEU 206 N 2.10 3.46 0.00 1.79 1.02 -1.15 -1.78 118.68 124.13 2roq s LEU 206 Ca 0.04 -0.13 0.00 0.00 0.02 0.00 0.00 54.13 54.07 2roq s LEU 206 Cb -0.12 -1.89 0.00 0.00 0.02 0.00 0.00 46.19 44.20 2roq s LEU 206 CO -0.03 0.07 0.00 0.47 0.02 0.00 0.00 176.35 176.87 2roq n ASP 207 N 4.25 0.00 -3.10 2.29 8.00 -1.19 -4.07 116.55 122.74 2roq n ASP 207 Ca -0.17 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.22 2roq n ASP 207 Cb 0.52 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.61 2roq n ASP 207 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2roq s THR 208 N 0.00 0.00 -0.01 -3.53 2.01 -1.15 -3.86 115.64 109.10 2roq s THR 208 Ca 0.00 -1.27 -0.22 0.00 0.31 0.00 0.00 61.69 60.51 2roq s THR 208 Cb 0.00 -2.75 -0.13 0.00 0.01 0.00 0.00 72.50 69.63 2roq s THR 208 CO 0.00 0.00 0.95 -0.25 -0.69 0.00 0.00 174.62 174.63 2roq h TRP 209 N 2.05 -0.56 -2.82 4.92 7.01 -1.96 -3.43 115.95 121.17 2roq h TRP 209 Ca -0.30 -0.01 -0.57 0.00 2.11 0.00 0.00 58.89 60.11 2roq h TRP 209 Cb 1.25 0.18 -0.03 0.00 -2.10 0.00 0.00 29.16 28.46 2roq h TRP 209 CO 1.40 -0.26 1.20 -1.25 -2.79 0.00 0.00 178.44 176.74 2roq s PRO 210 N -4.07 3.51 0.00 2.65 0.04 -1.26 -5.00 135.00 130.87 2roq s PRO 210 Ca -0.12 1.40 0.00 0.00 0.04 0.00 0.00 61.00 62.32 2roq s PRO 210 Cb 0.01 -4.12 0.00 0.00 0.04 0.00 0.00 34.50 30.43 2roq s PRO 210 CO 0.40 -1.64 0.00 -0.35 0.04 0.00 0.00 177.00 175.45 2roq n PRO 211 N 8.15 0.22 0.00 0.56 -0.04 -1.26 -4.38 135.00 138.26 2roq n PRO 211 Ca 0.21 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.67 2roq n PRO 211 Cb 0.46 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.92 2roq n PRO 211 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2roq n GLU 212 N -0.58 0.00 -3.69 0.54 1.02 -1.26 -4.61 120.64 112.07 2roq n GLU 212 Ca 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.04 2roq n GLU 212 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 31.44 31.32 2roq n GLU 212 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 2roq s THR 213 N 0.00 -0.14 -0.32 2.62 -1.32 -1.26 -4.87 115.64 110.34 2roq s THR 213 Ca 0.00 0.10 0.03 0.00 -1.21 0.00 0.00 61.69 60.61 2roq s THR 213 Cb 0.00 -0.64 0.20 0.00 -1.51 0.00 0.00 72.50 70.54 2roq s THR 213 CO 0.00 0.04 1.22 1.67 -2.21 0.00 0.00 174.62 175.35 2roq n GLN 214 N 4.47 0.21 -1.24 7.08 0.00 -1.26 -4.97 117.38 121.67 2roq n GLN 214 Ca -0.20 -0.76 0.00 0.00 -0.00 0.00 0.00 57.00 56.03 2roq n GLN 214 Cb 0.54 -0.10 0.00 0.00 0.00 0.00 0.00 30.24 30.69 2roq n GLN 214 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.06 177.33 2roq n ASN 215 N -0.05 1.45 -0.90 1.69 0.23 -1.26 -4.59 115.26 111.83 2roq n ASN 215 Ca -0.16 -0.62 0.12 0.00 -0.53 0.00 0.00 54.58 53.39 2roq n ASN 215 Cb 0.70 0.00 0.17 0.00 -2.08 0.00 0.00 39.78 38.58 2roq n ASN 215 CO 0.00 0.00 0.00 -2.67 -0.93 0.00 0.00 177.26 173.66 2roq n TRP 216 N 0.00 0.04 1.02 -2.53 4.27 -1.26 -4.19 117.44 114.80 2roq n TRP 216 Ca 0.00 -0.02 0.09 0.00 -3.89 0.00 0.00 57.50 53.68 2roq n TRP 216 Cb 0.00 0.00 0.50 0.00 -1.36 0.00 0.00 31.31 30.45 2roq n TRP 216 CO 0.00 0.00 0.00 0.94 -2.29 0.00 0.00 177.69 176.34 2roq n GLN 217 N 1.18 0.46 0.00 -2.67 0.00 -1.26 -3.22 117.38 111.87 2roq n GLN 217 Ca 0.15 0.04 0.02 0.00 -0.00 0.00 0.00 57.00 57.21 2roq n GLN 217 Cb 0.56 -1.50 0.12 0.00 0.00 0.00 0.00 30.24 29.43 2roq n GLN 217 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 2roq n GLU 218 N -1.09 0.13 -0.81 3.69 1.02 -1.26 -4.77 120.64 117.54 2roq n GLU 218 Ca 0.12 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.27 2roq n GLU 218 Cb 0.09 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.01 2roq n GLU 218 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2roq n LYS 219 N -1.02 0.00 -0.13 3.49 4.81 -1.20 -5.05 118.16 119.07 2roq n LYS 219 Ca 0.03 0.27 -0.28 0.00 -0.87 0.00 0.00 58.31 57.46 2roq n LYS 219 Cb 0.02 -0.81 -0.10 0.00 0.02 0.00 0.00 35.03 34.15 2roq n LYS 219 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2roq n GLU 220 N -0.40 0.58 -3.47 1.64 -0.58 -1.25 -4.80 120.64 112.36 2roq n GLU 220 Ca 0.00 0.35 -0.27 0.00 -0.42 0.00 0.00 57.16 56.82 2roq n GLU 220 Cb 0.13 -1.56 -0.10 0.00 -0.57 0.00 0.00 31.44 29.34 2roq n GLU 220 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2roq n ALA 221 N -4.01 2.96 -0.49 0.62 0.00 0.12 -4.84 120.51 114.88 2roq n ALA 221 Ca -0.49 -3.45 0.00 0.00 0.00 0.00 0.00 53.44 49.51 2roq n ALA 221 Cb 0.83 -0.81 0.00 0.00 0.00 0.00 0.00 19.45 19.47 2roq n ALA 221 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2roq n ASN 222 N 2.48 0.00 0.00 0.00 2.85 -1.26 -3.12 115.26 116.21 2roq n ASN 222 Ca 0.27 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.74 2roq n ASN 222 Cb 0.46 -0.13 0.00 0.00 1.24 0.00 0.00 39.78 41.34 2roq n ASN 222 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2roq n GLY 223 N -2.00 0.70 3.24 8.20 0.00 -1.26 -5.04 105.19 109.02 2roq n GLY 223 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 2roq n GLY 223 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2roq s LEU 224 N 0.00 2.46 -0.05 0.99 2.34 -1.18 -4.41 118.68 118.84 2roq s LEU 224 Ca 0.00 -1.04 -0.30 0.00 0.06 0.00 0.00 54.13 52.85 2roq s LEU 224 Cb 0.00 -0.25 -0.04 0.00 -0.56 0.00 0.00 46.19 45.34 2roq s LEU 224 CO 0.00 -0.40 1.32 -0.62 -1.06 0.00 0.00 176.35 175.60 2roq s ASP 225 N -3.15 6.93 0.00 1.48 2.15 -1.26 0.15 116.67 122.97 2roq s ASP 225 Ca 0.17 1.95 0.14 0.00 0.43 0.00 0.00 52.55 55.25 2roq s ASP 225 Cb 0.04 -2.56 0.66 0.00 -0.30 0.00 0.00 42.92 40.77 2roq s ASP 225 CO 0.00 -0.69 1.44 -0.81 -0.17 0.00 0.00 175.17 174.94 2roq n PRO 226 N 5.57 0.08 -0.10 4.34 -0.04 -1.26 -2.61 135.00 140.98 2roq n PRO 226 Ca 0.13 0.21 -0.12 0.00 -0.04 0.00 0.00 63.50 63.67 2roq n PRO 226 Cb 0.45 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.26 2roq n PRO 226 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2roq n GLU 227 N -1.41 0.68 0.25 0.54 -0.58 -1.26 -4.29 120.64 114.56 2roq n GLU 227 Ca 0.05 0.06 0.10 0.00 -0.42 0.00 0.00 57.16 56.95 2roq n GLU 227 Cb 0.15 -1.55 0.64 0.00 -0.57 0.00 0.00 31.44 30.11 2roq n GLU 227 CO 0.00 0.00 0.00 -0.24 -0.48 0.00 0.00 177.13 176.41 2roq h VAL 228 N 0.00 0.76 -0.05 2.62 3.04 -1.91 -2.16 116.25 118.56 2roq h VAL 228 Ca -0.54 -0.61 -0.14 0.00 -1.01 0.00 0.00 66.70 64.41 2roq h VAL 228 Cb 2.13 1.37 -0.01 0.00 -2.01 0.00 0.00 31.29 32.77 2roq h VAL 228 CO 0.00 0.15 -0.60 -0.07 -1.01 0.00 0.00 177.57 176.05 2roq h LEU 229 N 0.00 0.20 -0.54 3.16 3.38 -1.74 -2.11 115.31 117.66 2roq h LEU 229 Ca -0.00 -0.11 -0.16 0.00 0.09 0.00 0.00 57.88 57.70 2roq h LEU 229 Cb 0.36 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 2roq h LEU 229 CO 0.02 0.74 -0.63 0.00 0.09 0.00 0.00 178.44 178.67 2roq h ALA 230 N 1.26 0.73 0.31 1.53 0.00 -1.58 -2.14 119.26 119.37 2roq h ALA 230 Ca -0.01 -0.56 -0.02 0.00 0.00 0.00 0.00 54.91 54.33 2roq h ALA 230 Cb 1.08 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.80 2roq h ALA 230 CO 0.09 0.73 -0.15 1.49 0.00 0.00 0.00 179.25 181.41 2roq h GLU 231 N 0.28 -0.40 -0.70 0.00 4.57 -1.42 -2.14 114.58 114.76 2roq h GLU 231 Ca -0.01 0.03 0.15 0.00 -1.18 0.00 0.00 59.36 58.35 2roq h GLU 231 Cb 1.17 0.09 -0.04 0.00 -0.16 0.00 0.00 28.75 29.81 2roq h GLU 231 CO 0.11 -0.26 0.47 -0.84 -1.18 0.00 0.00 179.01 177.31 2roq h ILE 232 N -1.11 0.78 -0.04 2.32 3.07 -1.50 0.31 117.51 121.35 2roq h ILE 232 Ca -0.04 -0.11 -0.17 0.00 1.55 0.00 0.00 64.86 66.09 2roq h ILE 232 Cb 0.33 0.44 -0.01 0.00 -0.27 0.00 0.00 36.82 37.31 2roq h ILE 232 CO 0.07 0.06 -0.71 -1.13 -1.05 0.00 0.00 178.15 175.38 2roq h ASN 233 N 0.31 0.29 0.72 2.16 -1.24 -1.45 -0.44 115.58 115.93 2roq h ASN 233 Ca 0.34 -0.19 -0.25 0.00 0.71 0.00 0.00 56.30 56.91 2roq h ASN 233 Cb 0.89 -0.09 -0.01 0.00 0.73 0.00 0.00 38.32 39.85 2roq h ASN 233 CO -0.09 0.91 -1.16 0.03 -1.29 0.00 0.00 177.43 175.83 2roq h ARG 234 N 0.16 0.20 0.08 6.67 3.08 -0.15 -1.98 114.38 122.44 2roq h ARG 234 Ca -0.02 -0.33 -0.28 0.00 0.07 0.00 0.00 59.98 59.42 2roq h ARG 234 Cb 1.27 0.12 0.02 0.00 0.08 0.00 0.00 29.97 31.46 2roq h ARG 234 CO 0.11 1.15 -1.16 0.93 -1.07 0.00 0.00 179.97 179.93 2roq h GLU 235 N 0.06 0.54 -0.08 0.04 4.39 -0.50 -2.13 114.58 116.90 2roq h GLU 235 Ca -0.10 -0.70 -0.21 0.00 0.34 0.00 0.00 59.36 58.70 2roq h GLU 235 Cb 1.89 0.22 0.00 0.00 -0.10 0.00 0.00 28.75 30.77 2roq h GLU 235 CO 0.18 1.30 -0.81 0.07 -1.16 0.00 0.00 179.01 178.59 2roq h ARG 236 N 0.26 0.53 0.00 2.33 0.11 -1.17 -0.69 114.38 115.75 2roq h ARG 236 Ca -0.15 -0.47 -0.10 0.00 0.10 0.00 0.00 59.98 59.35 2roq h ARG 236 Cb 1.83 0.11 -0.01 0.00 1.11 0.00 0.00 29.97 33.00 2roq h ARG 236 CO 0.22 1.10 -0.48 1.49 0.10 0.00 0.00 179.97 182.40 2roq h GLU 237 N 0.35 0.00 0.00 0.08 4.57 -1.44 -1.29 114.58 116.86 2roq h GLU 237 Ca -0.05 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 2roq h GLU 237 Cb 1.42 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.01 2roq h GLU 237 CO 0.15 0.48 -0.71 0.00 -1.18 0.00 0.00 179.01 177.75 2roq n ALA 238 N -2.29 3.82 -0.00 2.92 0.00 -0.80 -0.10 120.51 124.06 2roq n ALA 238 Ca 0.00 -0.42 -0.00 0.00 0.00 0.00 0.00 53.44 53.02 2roq n ALA 238 Cb 0.60 -1.01 -0.00 0.00 0.00 0.00 0.00 19.45 19.04 2roq n ALA 238 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2roq n PHE 239 N -1.58 0.00 -0.20 0.00 7.35 -0.27 -3.13 117.46 119.63 2roq n PHE 239 Ca 0.05 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.65 2roq n PHE 239 Cb 0.35 -0.02 0.05 0.00 0.35 0.00 0.00 39.48 40.22 2roq n PHE 239 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 2roq h LEU 240 N -0.03 1.01 0.08 -2.13 3.38 -1.46 -3.28 115.31 112.88 2roq h LEU 240 Ca 0.00 -0.28 -0.37 0.00 0.09 0.00 0.00 57.88 57.33 2roq h LEU 240 Cb 0.03 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.47 2roq h LEU 240 CO 0.00 1.05 -2.09 0.00 0.09 0.00 0.00 178.44 177.49 2roq n ALA 241 N -2.48 1.03 -2.65 1.53 0.00 -1.20 -4.54 120.51 112.20 2roq n ALA 241 Ca 0.03 -0.73 -0.13 0.00 0.00 0.00 0.00 53.44 52.61 2roq n ALA 241 Cb 0.34 -0.51 -0.00 0.00 0.00 0.00 0.00 19.45 19.28 2roq n ALA 241 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2roq n ALA 242 N -3.12 -0.87 -3.34 0.00 0.00 0.86 -0.12 120.51 113.92 2roq n ALA 242 Ca -0.36 0.08 -0.18 0.00 0.00 0.00 0.00 53.44 52.98 2roq n ALA 242 Cb 1.01 -1.66 0.06 0.00 0.00 0.00 0.00 19.45 18.86 2roq n ALA 242 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2roq n GLN 243 N -2.97 -6.22 -4.17 0.00 7.27 -1.20 -4.97 117.38 105.13 2roq n GLN 243 Ca -0.10 0.66 -0.15 0.00 0.07 0.00 0.00 57.00 57.48 2roq n GLN 243 Cb 0.58 -5.19 -0.07 0.00 2.41 0.00 0.00 30.24 27.97 2roq n GLN 243 CO 0.00 0.00 0.00 -1.14 0.07 0.00 0.00 177.06 175.99 2roq s GLN 244 N -5.92 1.68 -0.28 3.69 -0.44 0.83 -5.14 119.66 114.09 2roq s GLN 244 Ca 0.40 -1.77 0.01 0.00 -2.50 0.00 0.00 55.36 51.51 2roq s GLN 244 Cb -0.18 0.37 0.06 0.00 -1.64 0.00 0.00 33.01 31.62 2roq s GLN 244 CO 0.58 -0.65 -0.06 0.20 0.50 0.00 0.00 175.29 175.86 2roq s GLY 245 N -3.24 1.70 0.00 2.59 0.00 -1.26 -4.84 107.32 102.26 2roq s GLY 245 Ca 0.35 -1.78 0.00 0.00 0.00 0.00 0.00 44.72 43.28 2roq s GLY 245 CO 0.20 0.65 0.00 1.44 0.00 0.00 0.00 173.10 175.39 2roq n SER 246 N 4.50 2.02 -4.13 1.64 7.64 -1.26 -5.04 113.62 118.99 2roq n SER 246 Ca -0.13 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.42 2roq n SER 246 Cb 0.42 0.02 -0.16 0.00 -1.01 0.00 0.00 64.21 63.48 2roq n SER 246 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2roq s THR 247 N -1.50 2.10 0.00 0.44 2.01 -1.26 -5.02 115.64 112.41 2roq s THR 247 Ca 0.00 -0.93 0.00 0.00 0.31 0.00 0.00 61.69 61.07 2roq s THR 247 Cb 0.00 -1.88 0.00 0.00 0.01 0.00 0.00 72.50 70.63 2roq s THR 247 CO 0.00 0.53 0.63 -1.20 -0.69 0.00 0.00 174.62 173.89 2roq n SER 248 N 4.62 0.00 -0.10 3.53 7.64 -1.26 -4.62 113.62 123.43 2roq n SER 248 Ca -0.21 0.63 0.00 0.00 1.01 0.00 0.00 58.87 60.30 2roq n SER 248 Cb 0.50 -0.13 0.00 0.00 -1.01 0.00 0.00 64.21 63.57 2roq n SER 248 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 2roq n THR 249 N -1.26 0.00 0.07 0.44 5.66 -1.26 -4.89 114.28 113.04 2roq n THR 249 Ca 0.00 0.00 -0.03 0.00 -3.05 0.00 0.00 64.05 60.97 2roq n THR 249 Cb 0.00 0.52 -0.01 0.00 -1.55 0.00 0.00 70.33 69.29 2roq n THR 249 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 175.07 171.69 2roq h GLU 250 N 0.00 -0.19 -0.27 1.09 5.08 -1.99 -2.14 114.58 116.17 2roq h GLU 250 Ca 0.00 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.38 2roq h GLU 250 Cb 1.05 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.32 2roq h GLU 250 CO 0.00 -0.12 0.16 1.25 -1.00 0.00 0.00 179.01 179.30 2roq h LEU 251 N -0.40 0.27 0.31 1.33 6.46 -1.93 -2.12 115.31 119.24 2roq h LEU 251 Ca -0.02 -0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.74 2roq h LEU 251 Cb 0.15 -0.06 -0.03 0.00 -0.73 0.00 0.00 40.66 39.98 2roq h LEU 251 CO 0.03 0.20 -0.48 -0.26 -0.62 0.00 0.00 178.44 177.31 2roq h PHE 252 N 0.33 -1.33 -0.89 1.25 0.04 -1.88 0.20 116.94 114.66 2roq h PHE 252 Ca 0.10 0.02 0.22 0.00 2.80 0.00 0.00 57.97 61.11 2roq h PHE 252 Cb -0.02 0.54 -0.06 0.00 2.20 0.00 0.00 35.95 38.62 2roq h PHE 252 CO -0.07 -0.60 0.61 1.15 -0.60 0.00 0.00 178.31 178.79 2roq h THR 253 N -0.84 0.63 -0.05 -1.55 2.02 -1.30 0.32 112.91 112.14 2roq h THR 253 Ca -0.03 -0.09 -0.07 0.00 0.77 0.00 0.00 66.41 66.99 2roq h THR 253 Cb 0.79 0.35 0.00 0.00 -1.74 0.00 0.00 68.15 67.55 2roq h THR 253 CO -0.16 0.05 -0.26 0.74 0.37 0.00 0.00 175.52 176.26 2roq h THR 254 N 0.26 1.45 0.58 3.16 2.02 -0.55 -2.13 112.91 117.70 2roq h THR 254 Ca 0.45 -1.72 -0.03 0.00 0.77 0.00 0.00 66.41 65.89 2roq h THR 254 Cb 1.35 2.41 0.01 0.00 -1.74 0.00 0.00 68.15 70.18 2roq h THR 254 CO -0.12 0.48 -0.28 0.40 0.37 0.00 0.00 175.52 176.37 2roq h ILE 255 N -0.27 0.11 -0.75 3.11 1.08 0.80 -2.02 117.51 119.57 2roq h ILE 255 Ca -0.02 -0.42 0.13 0.00 -0.39 0.00 0.00 64.86 64.16 2roq h ILE 255 Cb 0.92 0.16 -0.09 0.00 -3.07 0.00 0.00 36.82 34.74 2roq h ILE 255 CO 0.05 0.02 0.31 -0.08 -0.69 0.00 0.00 178.15 177.77 2roq h GLU 256 N -1.16 0.46 -0.40 2.37 4.81 -0.58 0.22 114.58 120.30 2roq h GLU 256 Ca -0.08 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 2roq h GLU 256 Cb 0.63 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.89 2roq h GLU 256 CO 0.13 0.30 0.25 0.78 -0.73 0.00 0.00 179.01 179.75 2roq h GLY 257 N 0.47 0.56 0.80 1.92 0.00 -1.41 -2.11 103.07 103.31 2roq h GLY 257 Ca 0.40 -0.22 -0.01 0.00 0.00 0.00 0.00 47.33 47.50 2roq h GLY 257 CO -0.38 0.22 -0.10 3.43 0.00 0.00 0.00 176.54 179.71 2roq h ASN 258 N 0.53 -0.24 -0.95 0.19 2.35 -0.51 -2.06 115.58 114.89 2roq h ASN 258 Ca 0.14 -0.14 0.24 0.00 -0.55 0.00 0.00 56.30 55.99 2roq h ASN 258 Cb -0.04 0.06 -0.06 0.00 0.05 0.00 0.00 38.32 38.33 2roq h ASN 258 CO -0.03 0.01 0.64 0.22 -1.65 0.00 0.00 177.43 176.61 2roq h TYR 259 N -0.49 0.40 -0.08 1.19 3.20 -0.93 0.29 116.97 120.56 2roq h TYR 259 Ca -0.03 0.01 -0.20 0.00 3.14 0.00 0.00 58.73 61.65 2roq h TYR 259 Cb 0.37 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.52 2roq h TYR 259 CO -0.01 0.08 -0.79 0.00 -1.64 0.00 0.00 178.16 175.81 2roq h ALA 260 N 1.59 0.46 -0.20 1.82 0.00 -1.10 -2.13 119.26 119.70 2roq h ALA 260 Ca 0.49 -0.63 -0.18 0.00 0.00 0.00 0.00 54.91 54.59 2roq h ALA 260 Cb 1.44 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.19 2roq h ALA 260 CO -0.15 0.75 -0.59 -0.44 0.00 0.00 0.00 179.25 178.82 2roq h ASP 261 N 0.34 0.87 0.28 0.00 3.32 0.14 -2.14 116.42 119.22 2roq h ASP 261 Ca -0.05 -0.58 -0.01 0.00 0.02 0.00 0.00 57.03 56.41 2roq h ASP 261 Cb 1.39 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 40.69 2roq h ASP 261 CO 0.14 1.30 -0.13 0.00 -1.72 0.00 0.00 179.24 178.83 2roq h ALA 262 N 0.59 -0.37 0.00 3.45 0.00 -0.76 0.42 119.26 122.59 2roq h ALA 262 Ca -0.02 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 2roq h ALA 262 Cb 1.21 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 19.14 2roq h ALA 262 CO 0.13 -0.56 -0.01 -0.39 0.00 0.00 0.00 179.25 178.41 2roq h VAL 263 N -0.66 0.84 0.00 0.00 -1.51 -1.47 -0.25 116.25 113.19 2roq h VAL 263 Ca -0.04 -0.04 0.00 0.00 -1.23 0.00 0.00 66.70 65.40 2roq h VAL 263 Cb 0.46 1.02 0.00 0.00 -2.13 0.00 0.00 31.29 30.64 2roq h VAL 263 CO 0.06 0.01 -0.79 -1.14 -1.23 0.00 0.00 177.57 174.49 2roq n ARG 264 N -4.29 0.28 -0.05 5.19 0.63 -0.81 -4.15 116.66 113.47 2roq n ARG 264 Ca -0.03 0.05 -0.00 0.00 -0.92 0.00 0.00 57.85 56.94 2roq n ARG 264 Cb 0.10 -1.64 -0.00 0.00 0.45 0.00 0.00 32.46 31.36 2roq n ARG 264 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 2roq h LEU 265 N 0.00 -0.01 -1.95 6.15 -0.00 0.16 -3.32 115.31 116.34 2roq h LEU 265 Ca 0.00 -0.02 0.43 0.00 -0.00 0.00 0.00 57.88 58.29 2roq h LEU 265 Cb 0.73 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 41.33 2roq h LEU 265 CO 0.00 0.50 1.09 0.17 -0.00 0.00 0.00 178.44 180.20 2roq h LEU 266 N -1.00 0.00 -1.23 1.67 8.10 -1.58 0.59 115.31 121.85 2roq h LEU 266 Ca -0.00 0.00 0.16 0.00 0.11 0.00 0.00 57.88 58.15 2roq h LEU 266 Cb 0.03 0.00 -0.08 0.00 -0.44 0.00 0.00 40.66 40.17 2roq h LEU 266 CO 0.00 0.00 0.60 0.71 -4.11 0.00 0.00 178.44 175.64 2roq h THR 267 N 0.00 0.78 0.00 0.15 1.35 -1.72 -2.44 112.91 111.03 2roq h THR 267 Ca 0.70 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 66.32 2roq h THR 267 Cb 2.86 0.03 0.00 0.00 -1.73 0.00 0.00 68.15 69.32 2roq h THR 267 CO -0.01 0.13 -0.35 1.07 -0.25 0.00 0.00 175.52 176.11 2roq n THR 268 N -4.60 0.00 -2.27 6.82 5.66 0.17 -5.02 114.28 115.03 2roq n THR 268 Ca 0.19 -0.33 -0.34 0.00 -3.05 0.00 0.00 64.05 60.52 2roq n THR 268 Cb 0.53 0.99 -0.00 0.00 -1.55 0.00 0.00 70.33 70.30 2roq n THR 268 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2roq s ALA 269 N -1.69 2.74 0.13 1.79 0.00 0.60 -5.06 121.76 120.28 2roq s ALA 269 Ca 0.03 0.66 -0.05 0.00 0.00 0.00 0.00 51.96 52.59 2roq s ALA 269 Cb 0.05 -3.30 -0.02 0.00 0.00 0.00 0.00 23.12 19.85 2roq s ALA 269 CO 0.29 -0.67 0.16 -3.38 0.00 0.00 0.00 175.76 172.16 2roq s HIS 270 N -2.01 0.53 0.04 0.00 -3.43 -1.26 -4.86 115.29 104.31 2roq s HIS 270 Ca 0.69 -0.93 -0.02 0.00 -0.80 0.00 0.00 55.06 54.00 2roq s HIS 270 Cb -0.20 -0.23 0.01 0.00 -1.43 0.00 0.00 32.58 30.73 2roq s HIS 270 CO 0.28 -0.59 0.09 0.43 -2.00 0.00 0.00 174.74 172.94 2roq n SER 271 N -0.12 -0.26 -3.79 7.38 7.64 -1.26 -4.88 113.62 118.34 2roq n SER 271 Ca -0.08 -1.18 -0.13 0.00 1.01 0.00 0.00 58.87 58.48 2roq n SER 271 Cb 0.63 0.43 -0.14 0.00 -1.01 0.00 0.00 64.21 64.11 2roq n SER 271 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2roq s VAL 272 N -2.89 -0.03 0.87 0.44 1.01 -1.26 -4.92 120.40 113.61 2roq s VAL 272 Ca 0.02 0.13 -0.11 0.00 0.00 0.00 0.00 61.98 62.01 2roq s VAL 272 Cb -0.01 -0.16 0.11 0.00 0.00 0.00 0.00 36.38 36.33 2roq s VAL 272 CO 0.01 0.05 1.09 -2.16 0.00 0.00 0.00 175.10 174.10 2roq s PRO 273 N 0.76 1.50 0.14 2.72 0.04 -1.26 -3.94 135.00 134.95 2roq s PRO 273 Ca -0.06 0.90 0.05 0.00 0.04 0.00 0.00 61.00 61.93 2roq s PRO 273 Cb -0.08 -1.83 -0.04 0.00 0.04 0.00 0.00 34.50 32.59 2roq s PRO 273 CO -0.03 -2.10 -0.11 -0.59 0.04 0.00 0.00 177.00 174.21 2roq s PHE 274 N -2.93 1.30 -0.62 0.56 -0.71 -1.26 -4.84 117.98 109.48 2roq s PHE 274 Ca 0.63 -0.69 0.00 0.00 -1.04 0.00 0.00 56.93 55.84 2roq s PHE 274 Cb -0.18 -0.66 0.16 0.00 -1.21 0.00 0.00 43.02 41.13 2roq s PHE 274 CO 0.57 0.11 0.41 -0.51 -1.34 0.00 0.00 175.22 174.45 2roq s ASP 275 N -2.93 4.93 0.00 1.98 1.01 -1.26 -4.99 116.67 115.42 2roq s ASP 275 Ca 0.14 -3.08 0.00 0.00 0.71 0.00 0.00 52.55 50.32 2roq s ASP 275 Cb -0.00 -1.77 0.00 0.00 1.01 0.00 0.00 42.92 42.16 2roq s ASP 275 CO 0.01 -0.28 0.00 0.61 0.21 0.00 0.00 175.17 175.73 2roq n GLY 276 N 3.11 2.37 3.60 0.21 0.00 -1.26 -4.85 105.19 108.37 2roq n GLY 276 Ca 0.09 -1.11 -0.43 0.00 0.00 0.00 0.00 46.02 44.57 2roq n GLY 276 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2roq s LYS 277 N -1.88 3.67 0.15 1.61 1.02 -1.25 -4.26 119.74 118.79 2roq s LYS 277 Ca 0.00 0.72 -0.16 0.00 0.02 0.00 0.00 55.97 56.55 2roq s LYS 277 Cb 0.00 -3.95 0.03 0.00 -0.52 0.00 0.00 37.83 33.39 2roq s LYS 277 CO 0.00 -1.45 0.44 0.00 -0.92 0.00 0.00 175.35 173.42 2roq s ALA 278 N 4.85 -0.89 -0.11 5.17 0.00 -1.23 -3.40 121.76 126.15 2roq s ALA 278 Ca 0.53 -0.15 -0.07 0.00 0.00 0.00 0.00 51.96 52.27 2roq s ALA 278 Cb -0.10 0.77 -0.04 0.00 0.00 0.00 0.00 23.12 23.75 2roq s ALA 278 CO 0.32 -0.70 0.15 0.99 0.00 0.00 0.00 175.76 176.52 2roq s THR 279 N -3.84 5.49 -0.01 0.00 2.01 -1.18 -3.45 115.64 114.66 2roq s THR 279 Ca 0.06 0.22 0.04 0.00 0.31 0.00 0.00 61.69 62.33 2roq s THR 279 Cb 0.01 -3.41 -0.01 0.00 0.01 0.00 0.00 72.50 69.10 2roq s THR 279 CO -0.08 0.61 -0.14 -0.22 -0.69 0.00 0.00 174.62 174.10 2roq s LEU 280 N -1.05 2.00 -0.00 4.42 2.96 -1.24 -0.07 118.68 125.70 2roq s LEU 280 Ca 0.16 -0.26 0.04 0.00 -0.22 0.00 0.00 54.13 53.85 2roq s LEU 280 Cb -0.12 -0.75 -0.03 0.00 0.50 0.00 0.00 46.19 45.79 2roq s LEU 280 CO 0.05 0.17 -0.13 -0.36 -1.32 0.00 0.00 176.35 174.76 2roq s PHE 281 N -0.27 2.72 -0.19 5.38 0.40 -0.73 -3.46 117.98 121.83 2roq s PHE 281 Ca 0.04 -0.14 -0.00 0.00 -0.60 0.00 0.00 56.93 56.22 2roq s PHE 281 Cb -0.06 -1.57 0.01 0.00 0.51 0.00 0.00 43.02 41.91 2roq s PHE 281 CO -0.00 0.27 -0.15 0.14 0.70 0.00 0.00 175.22 176.18 2roq s VAL 282 N -0.88 2.44 -1.19 -0.44 -7.23 -1.23 -2.95 120.40 108.92 2roq s VAL 282 Ca 0.14 -0.83 -0.21 0.00 -1.81 0.00 0.00 61.98 59.28 2roq s VAL 282 Cb -0.11 -2.06 -0.01 0.00 0.56 0.00 0.00 36.38 34.76 2roq s VAL 282 CO 0.04 0.50 1.82 0.00 -0.31 0.00 0.00 175.10 177.15 2roq s ALA 283 N 1.34 2.44 0.65 1.32 0.00 -1.25 -3.21 121.76 123.04 2roq s ALA 283 Ca 0.05 -2.39 0.39 0.00 0.00 0.00 0.00 51.96 50.01 2roq s ALA 283 Cb -0.13 -4.64 2.19 0.00 0.00 0.00 0.00 23.12 20.53 2roq s ALA 283 CO -0.10 -4.33 2.28 1.49 0.00 0.00 0.00 175.76 175.10 2roq h GLU 284 N 9.06 0.00 0.00 0.00 4.57 -0.73 0.17 114.58 127.65 2roq h GLU 284 Ca 0.29 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.47 2roq h GLU 284 Cb 0.92 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.51 2roq h GLU 284 CO 1.33 0.00 0.00 0.07 -1.18 0.00 0.00 179.01 179.23 2roq h ARG 285 N 0.00 0.00 0.00 1.92 -0.00 -1.84 -3.16 114.38 111.30 2roq h ARG 285 Ca 0.01 0.00 -0.08 0.00 -0.00 0.00 0.00 59.98 59.91 2roq h ARG 285 Cb 0.12 0.00 -0.17 0.00 -0.00 0.00 0.00 29.97 29.92 2roq h ARG 285 CO -0.00 0.00 -0.68 -2.37 -0.00 0.00 0.00 179.97 176.92 2roq n THR 286 N -2.56 0.52 -1.58 0.08 5.66 0.48 -4.99 114.28 111.89 2roq n THR 286 Ca 0.02 -1.15 -0.50 0.00 -3.05 0.00 0.00 64.05 59.37 2roq n THR 286 Cb 0.31 0.53 -0.05 0.00 -1.55 0.00 0.00 70.33 69.58 2roq n THR 286 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2roq n LEU 287 N -0.10 1.58 -4.75 1.09 -0.00 -0.45 -4.85 117.00 109.52 2roq n LEU 287 Ca 0.07 1.13 -0.42 0.00 -0.00 0.00 0.00 56.01 56.80 2roq n LEU 287 Cb 0.89 -1.21 -0.01 0.00 -0.00 0.00 0.00 43.42 43.09 2roq n LEU 287 CO -0.02 -1.20 1.14 1.67 -0.00 0.00 0.00 177.39 178.98 2roq n GLN 288 N 2.03 2.60 -1.53 1.47 7.27 -1.26 -4.83 117.38 123.13 2roq n GLN 288 Ca 0.16 0.92 -0.45 0.00 0.07 0.00 0.00 57.00 57.70 2roq n GLN 288 Cb 0.23 -2.65 -0.05 0.00 2.41 0.00 0.00 30.24 30.18 2roq n GLN 288 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 2roq n GLU 289 N 1.16 1.47 -0.18 3.69 1.02 -1.26 -0.41 120.64 126.13 2roq n GLU 289 Ca 0.05 0.37 0.00 0.00 -0.02 0.00 0.00 57.16 57.55 2roq n GLU 289 Cb 0.37 -2.93 0.00 0.00 -0.02 0.00 0.00 31.44 28.87 2roq n GLU 289 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2roq n GLY 290 N 6.12 0.89 3.81 0.62 0.00 -1.26 -5.08 105.19 110.29 2roq n GLY 290 Ca 0.36 -0.17 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 2roq n GLY 290 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2roq s MET 291 N -0.43 3.80 -0.67 1.61 0.00 0.45 -4.31 119.30 119.76 2roq s MET 291 Ca 0.00 1.18 -0.08 0.00 0.00 0.00 0.00 55.69 56.79 2roq s MET 291 Cb 0.00 -2.11 0.01 0.00 0.00 0.00 0.00 34.83 32.74 2roq s MET 291 CO 0.00 -0.41 0.65 0.43 0.00 0.00 0.00 175.02 175.69 2roq n SER 292 N -1.31 -6.75 -4.55 1.11 7.64 -1.26 -4.81 113.62 103.69 2roq n SER 292 Ca 0.08 -0.21 -0.35 0.00 1.01 0.00 0.00 58.87 59.40 2roq n SER 292 Cb 0.53 -3.89 -0.04 0.00 -1.01 0.00 0.00 64.21 59.80 2roq n SER 292 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2roq s PRO 293 N -3.38 2.60 0.29 1.43 0.04 -1.26 -4.80 135.00 129.93 2roq s PRO 293 Ca 0.10 0.39 0.00 0.00 0.04 0.00 0.00 61.00 61.52 2roq s PRO 293 Cb -0.02 -4.56 0.00 0.00 0.04 0.00 0.00 34.50 29.96 2roq s PRO 293 CO 0.81 -2.90 0.00 0.39 0.04 0.00 0.00 177.00 175.34 2roq n GLU 294 N 9.11 -2.48 -2.47 4.56 1.02 -1.26 -4.22 120.64 124.90 2roq n GLU 294 Ca 0.25 1.65 -0.40 0.00 -0.02 0.00 0.00 57.16 58.65 2roq n GLU 294 Cb 0.51 -3.02 -0.01 0.00 -0.02 0.00 0.00 31.44 28.90 2roq n GLU 294 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2roq s ARG 295 N -2.11 3.65 -0.30 3.49 0.52 -1.26 -4.81 118.95 118.14 2roq s ARG 295 Ca 0.00 -1.79 -0.15 0.00 -0.52 0.00 0.00 55.73 53.27 2roq s ARG 295 Cb 0.00 -5.47 0.15 0.00 0.52 0.00 0.00 34.95 30.15 2roq s ARG 295 CO 0.00 -2.63 0.94 0.00 0.02 0.00 0.00 175.30 173.63 2roq s ALA 296 N 5.72 -2.49 -0.21 2.13 0.00 -1.26 -5.16 121.76 120.48 2roq s ALA 296 Ca 0.57 2.14 -0.12 0.00 0.00 0.00 0.00 51.96 54.55 2roq s ALA 296 Cb 0.03 -1.91 0.07 0.00 0.00 0.00 0.00 23.12 21.30 2roq s ALA 296 CO 0.09 -0.77 0.52 1.67 0.00 0.00 0.00 175.76 177.26 2roq s TRP 297 N 2.18 -0.79 -0.44 0.00 1.48 -1.26 -4.70 118.94 115.41 2roq s TRP 297 Ca -0.05 1.62 0.07 0.00 -1.06 0.00 0.00 56.10 56.68 2roq s TRP 297 Cb -0.06 0.41 0.23 0.00 -1.16 0.00 0.00 33.47 32.89 2roq s TRP 297 CO -0.17 -0.42 0.65 0.45 -4.06 0.00 0.00 176.95 173.41 2roq n SER 298 N 4.31 -1.36 -3.22 -2.66 2.88 -1.26 -5.15 113.62 107.16 2roq n SER 298 Ca -0.22 -2.90 -0.21 0.00 -1.33 0.00 0.00 58.87 54.21 2roq n SER 298 Cb 0.57 0.49 0.17 0.00 -0.75 0.00 0.00 64.21 64.69 2roq n SER 298 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2roq n PRO 299 N 1.79 -2.48 -1.33 -1.46 -0.04 -1.26 -4.95 135.00 125.27 2roq n PRO 299 Ca 0.17 -1.20 -0.31 0.00 -0.04 0.00 0.00 63.50 62.13 2roq n PRO 299 Cb 0.56 -1.12 0.10 0.00 -0.04 0.00 0.00 33.50 33.00 2roq n PRO 299 CO 0.00 0.00 0.00 1.87 -0.04 0.00 0.00 175.50 177.33 2roq n TRP 300 N -4.13 3.09 -2.70 0.54 -0.00 -1.26 -4.98 117.44 108.01 2roq n TRP 300 Ca 0.10 -2.66 -0.22 0.00 -0.00 0.00 0.00 57.50 54.72 2roq n TRP 300 Cb 0.40 -1.23 0.08 0.00 -0.00 0.00 0.00 31.31 30.56 2roq n TRP 300 CO 0.00 0.00 0.00 0.96 -0.00 0.00 0.00 177.69 178.65 2roq s ILE 301 N -4.41 2.27 -0.10 5.87 -5.25 -1.26 -5.02 121.20 113.30 2roq s ILE 301 Ca 0.62 -0.71 -0.12 0.00 -0.99 0.00 0.00 60.65 59.45 2roq s ILE 301 Cb 0.49 -2.56 -0.04 0.00 2.95 0.00 0.00 42.46 43.30 2roq s ILE 301 CO 0.02 0.00 -0.23 0.00 -1.79 0.00 0.00 174.94 172.94 2roq n ALA 302 N -2.58 1.13 -3.61 2.27 0.00 -1.26 -5.07 120.51 111.38 2roq n ALA 302 Ca 0.14 -0.58 -0.03 0.00 0.00 0.00 0.00 53.44 52.96 2roq n ALA 302 Cb 0.61 0.06 -0.06 0.00 0.00 0.00 0.00 19.45 20.05 2roq n ALA 302 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2roq s GLU 303 N -2.41 0.55 0.26 0.00 2.56 -1.26 -5.08 118.70 113.32 2roq s GLU 303 Ca -0.19 1.10 -0.20 0.00 0.00 0.00 0.00 54.97 55.67 2roq s GLU 303 Cb 0.03 0.35 0.02 0.00 2.00 0.00 0.00 34.13 36.53 2roq s GLU 303 CO 0.28 -0.14 0.68 -0.48 -0.56 0.00 0.00 175.26 175.04 2roq s LEU 304 N 1.99 -0.21 -0.38 2.70 0.05 -1.26 -3.48 118.68 118.09 2roq s LEU 304 Ca -0.08 -0.60 0.03 0.00 0.05 0.00 0.00 54.13 53.54 2roq s LEU 304 Cb -0.07 2.60 0.11 0.00 -2.05 0.00 0.00 46.19 46.78 2roq s LEU 304 CO -0.18 -1.29 0.11 -1.81 -0.55 0.00 0.00 176.35 172.63 2roq s ASP 305 N -2.92 4.52 -0.03 1.48 1.01 -1.22 -5.03 116.67 114.48 2roq s ASP 305 Ca 0.11 -2.31 -0.13 0.00 0.71 0.00 0.00 52.55 50.93 2roq s ASP 305 Cb -0.05 -1.51 -0.05 0.00 1.01 0.00 0.00 42.92 42.32 2roq s ASP 305 CO 0.05 -0.35 0.34 0.27 0.21 0.00 0.00 175.17 175.70 2roq s ILE 306 N 0.69 5.15 -0.06 0.77 -5.25 -1.26 -3.58 121.20 117.66 2roq s ILE 306 Ca 0.13 0.68 0.03 0.00 -0.99 0.00 0.00 60.65 60.50 2roq s ILE 306 Cb -0.21 -3.64 0.00 0.00 2.95 0.00 0.00 42.46 41.57 2roq s ILE 306 CO -0.08 0.58 -0.15 -0.47 -1.79 0.00 0.00 174.94 173.03 2roq s TYR 307 N -1.03 1.64 -0.37 1.37 5.04 -1.22 -5.04 117.35 117.74 2roq s TYR 307 Ca 0.21 -0.55 -0.26 0.00 -2.44 0.00 0.00 57.07 54.03 2roq s TYR 307 Cb -0.15 -1.14 0.02 0.00 0.35 0.00 0.00 41.96 41.03 2roq s TYR 307 CO 0.11 -0.23 0.94 1.03 -1.34 0.00 0.00 175.55 176.05 2roq s ARG 308 N 0.35 3.85 -0.04 4.97 0.52 -1.26 -3.46 118.95 123.88 2roq s ARG 308 Ca -0.10 0.60 -0.13 0.00 -0.52 0.00 0.00 55.73 55.58 2roq s ARG 308 Cb -0.14 -3.80 0.02 0.00 0.52 0.00 0.00 34.95 31.55 2roq s ARG 308 CO 0.03 -0.95 0.30 1.14 0.02 0.00 0.00 175.30 175.84 2roq s GLN 309 N 3.50 0.59 -0.86 3.54 -2.07 -1.20 -4.99 119.66 118.17 2roq s GLN 309 Ca 0.39 -0.07 -0.22 0.00 -1.82 0.00 0.00 55.36 53.63 2roq s GLN 309 Cb -0.12 0.26 0.08 0.00 -1.09 0.00 0.00 33.01 32.14 2roq s GLN 309 CO 0.19 -0.15 1.19 0.16 -1.32 0.00 0.00 175.29 175.36 2roq s ASP 310 N -1.01 6.41 -0.17 12.60 -4.77 -1.26 -0.07 116.67 128.40 2roq s ASP 310 Ca -0.11 -1.40 -0.07 0.00 -3.30 0.00 0.00 52.55 47.68 2roq s ASP 310 Cb -0.05 -2.47 0.08 0.00 -1.09 0.00 0.00 42.92 39.39 2roq s ASP 310 CO 0.03 -1.39 0.37 0.00 0.70 0.00 0.00 175.17 174.89 2roq s ALA 312 N 2.40 2.55 0.50 0.00 0.00 -1.26 -4.23 121.76 121.73 2roq s ALA 312 Ca -0.02 0.92 0.31 0.00 0.00 0.00 0.00 51.96 53.17 2roq s ALA 312 Cb -0.12 -3.42 1.41 0.00 0.00 0.00 0.00 23.12 21.00 2roq s ALA 312 CO -0.12 -1.12 1.81 1.12 0.00 0.00 0.00 175.76 177.46 2roq h HIS 313 N 0.83 0.19 0.00 0.00 2.07 -1.96 0.22 115.15 116.51 2roq h HIS 313 Ca -0.50 0.01 -0.11 0.00 -2.85 0.00 0.00 60.37 56.92 2roq h HIS 313 Cb 1.29 -0.05 -0.02 0.00 2.57 0.00 0.00 27.41 31.19 2roq h HIS 313 CO 0.48 0.02 -2.07 1.33 -3.07 0.00 0.00 177.93 174.62 2roq n VAL 314 N -4.32 0.41 -0.78 6.12 0.24 -1.26 -2.90 118.33 115.84 2roq n VAL 314 Ca 0.24 -0.58 -0.08 0.00 -2.04 0.00 0.00 64.34 61.88 2roq n VAL 314 Cb 1.09 -0.14 0.25 0.00 -1.47 0.00 0.00 33.84 33.57 2roq n VAL 314 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2roq n ASP 315 N -2.38 4.34 -0.05 -1.34 -0.08 0.48 -4.09 116.55 113.44 2roq n ASP 315 Ca -0.12 -3.10 -0.01 0.00 -1.51 0.00 0.00 54.79 50.04 2roq n ASP 315 Cb 0.73 -0.73 -0.13 0.00 2.34 0.00 0.00 41.12 43.32 2roq n ASP 315 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2roq n ILE 316 N -0.21 0.67 0.47 5.18 3.06 0.47 -4.09 119.36 124.90 2roq n ILE 316 Ca 0.38 -0.58 0.11 0.00 -2.50 0.00 0.00 62.75 60.16 2roq n ILE 316 Cb 1.30 -0.30 0.44 0.00 0.54 0.00 0.00 39.64 41.63 2roq n ILE 316 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2roq n ILE 317 N -2.41 0.82 -0.66 9.51 0.13 -1.26 -4.36 119.36 121.12 2roq n ILE 317 Ca -0.17 0.18 -0.31 0.00 -1.10 0.00 0.00 62.75 61.34 2roq n ILE 317 Cb 0.80 -1.04 0.18 0.00 -0.84 0.00 0.00 39.64 38.74 2roq n ILE 317 CO 0.00 0.00 0.00 -1.54 2.80 0.00 0.00 176.55 177.81 2roq n SER 318 N -2.03 -1.18 0.00 9.51 3.41 -1.26 -4.84 113.62 117.23 2roq n SER 318 Ca 0.03 0.19 0.07 0.00 -0.26 0.00 0.00 58.87 58.90 2roq n SER 318 Cb 0.24 -1.28 0.35 0.00 -0.26 0.00 0.00 64.21 63.26 2roq n SER 318 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 2roq n PRO 319 N -3.40 0.16 0.08 4.33 -0.04 -1.26 -2.69 135.00 132.18 2roq n PRO 319 Ca 0.07 0.17 -0.10 0.00 -0.04 0.00 0.00 63.50 63.60 2roq n PRO 319 Cb 0.54 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.39 2roq n PRO 319 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 2roq h GLY 320 N 2.43 0.11 0.08 0.55 0.00 -1.90 -3.04 103.07 101.31 2roq h GLY 320 Ca 0.00 -0.28 -0.07 0.00 0.00 0.00 0.00 47.33 46.98 2roq h GLY 320 CO 0.00 0.25 -0.35 -0.84 0.00 0.00 0.00 176.54 175.60 2roq h THR 321 N 0.03 1.59 -0.06 4.70 2.02 -1.71 -2.13 112.91 117.35 2roq h THR 321 Ca -0.05 -2.34 0.02 0.00 0.77 0.00 0.00 66.41 64.81 2roq h THR 321 Cb 1.80 3.14 -0.00 0.00 -1.74 0.00 0.00 68.15 71.35 2roq h THR 321 CO 0.15 0.57 0.06 -0.26 0.37 0.00 0.00 175.52 176.41 2roq h PHE 322 N -0.92 0.00 0.04 3.16 0.04 -1.70 -1.36 116.94 116.20 2roq h PHE 322 Ca -0.09 0.00 -0.31 0.00 2.80 0.00 0.00 57.97 60.38 2roq h PHE 322 Cb 1.14 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 39.25 2roq h PHE 322 CO 0.23 0.00 -1.73 1.05 -0.60 0.00 0.00 178.31 177.27 2roq h GLU 323 N 0.00 0.09 -0.80 1.51 4.11 -1.62 -3.36 114.58 114.49 2roq h GLU 323 Ca 0.03 -0.15 -0.04 0.00 0.07 0.00 0.00 59.36 59.27 2roq h GLU 323 Cb 0.15 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.42 2roq h GLU 323 CO -0.00 0.74 0.33 0.87 0.07 0.00 0.00 179.01 181.02 2roq h LYS 324 N 0.02 1.20 -2.37 1.06 1.57 -0.56 -3.15 116.57 114.33 2roq h LYS 324 Ca -0.30 -0.21 -0.80 0.00 -1.87 0.00 0.00 60.65 57.47 2roq h LYS 324 Cb 2.01 -0.20 -0.24 0.00 0.08 0.00 0.00 32.23 33.88 2roq h LYS 324 CO 0.09 0.96 1.27 0.44 -0.57 0.00 0.00 179.45 181.64 2roq n ILE 325 N -4.28 5.91 0.00 1.86 -5.35 -0.80 -4.73 119.36 111.97 2roq n ILE 325 Ca 0.07 -5.69 0.00 0.00 -0.27 0.00 0.00 62.75 56.86 2roq n ILE 325 Cb 0.18 -1.68 0.00 0.00 -1.74 0.00 0.00 39.64 36.40 2roq n ILE 325 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2roq n GLY 326 N 0.36 -0.49 0.00 3.28 0.00 -1.19 -3.61 105.19 103.54 2roq n GLY 326 Ca 0.48 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.57 2roq n GLY 326 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2roq n PRO 327 N -2.22 0.11 -0.02 1.61 -0.04 -1.26 -2.33 135.00 130.85 2roq n PRO 327 Ca 0.00 0.20 -0.03 0.00 -0.04 0.00 0.00 63.50 63.63 2roq n PRO 327 Cb 0.00 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 31.83 2roq n PRO 327 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 2roq n ILE 328 N -1.39 1.17 0.37 0.52 -6.64 -1.26 -4.05 119.36 108.07 2roq n ILE 328 Ca 0.05 -0.73 0.14 0.00 -1.77 0.00 0.00 62.75 60.44 2roq n ILE 328 Cb 0.14 -0.62 0.46 0.00 -1.44 0.00 0.00 39.64 38.18 2roq n ILE 328 CO 0.00 0.00 0.00 -0.29 -1.77 0.00 0.00 176.55 174.49 2roq h ILE 329 N 0.00 0.00 0.22 7.28 2.10 -1.52 -2.79 117.51 122.80 2roq h ILE 329 Ca -0.27 -0.55 -0.01 0.00 1.08 0.00 0.00 64.86 65.10 2roq h ILE 329 Cb 1.77 1.49 0.00 0.00 -1.09 0.00 0.00 36.82 38.99 2roq h ILE 329 CO 0.04 0.00 -0.11 0.03 -1.08 0.00 0.00 178.15 177.04 2roq h ARG 330 N 0.00 -0.28 -0.88 2.19 3.08 -1.70 -2.14 114.38 114.65 2roq h ARG 330 Ca 0.00 0.02 0.05 0.00 0.07 0.00 0.00 59.98 60.12 2roq h ARG 330 Cb 0.64 0.06 -0.06 0.00 0.08 0.00 0.00 29.97 30.70 2roq h ARG 330 CO 0.00 -0.19 0.56 0.00 -1.07 0.00 0.00 179.97 179.27 2roq h ALA 331 N -1.16 1.19 -0.57 0.04 0.00 -1.72 0.26 119.26 117.30 2roq h ALA 331 Ca -0.03 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 2roq h ALA 331 Cb 0.23 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2roq h ALA 331 CO 0.05 0.35 0.18 1.15 0.00 0.00 0.00 179.25 180.98 2roq h THR 332 N 1.05 1.24 0.00 0.00 2.02 -1.62 0.25 112.91 115.84 2roq h THR 332 Ca 0.37 -0.82 -0.08 0.00 0.77 0.00 0.00 66.41 66.65 2roq h THR 332 Cb 0.09 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 2roq h THR 332 CO -0.15 0.31 -0.40 -0.07 0.37 0.00 0.00 175.52 175.58 2roq h LEU 333 N 0.81 0.00 0.00 2.58 3.38 -0.79 -2.10 115.31 119.18 2roq h LEU 333 Ca 0.18 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.11 2roq h LEU 333 Cb 0.29 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 2roq h LEU 333 CO -0.01 0.40 -0.69 0.78 0.09 0.00 0.00 178.44 179.02 2roq h ASN 334 N 0.00 0.00 0.96 -0.43 4.21 -0.10 -2.14 115.58 118.08 2roq h ASN 334 Ca -0.00 0.00 -0.10 0.00 1.21 0.00 0.00 56.30 57.41 2roq h ASN 334 Cb 1.02 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 38.21 2roq h ASN 334 CO 0.05 0.19 -1.10 0.08 -1.29 0.00 0.00 177.43 175.36 2roq h ARG 335 N 0.00 0.00 0.00 0.81 -0.00 -0.39 -3.13 114.38 111.67 2roq h ARG 335 Ca -0.03 0.00 -0.27 0.00 -0.00 0.00 0.00 59.98 59.68 2roq h ARG 335 Cb 1.17 0.00 -0.05 0.00 -0.00 0.00 0.00 29.97 31.09 2roq h ARG 335 CO 0.02 0.21 -1.90 1.47 -0.00 0.00 0.00 179.97 179.77 2roq n LEU 336 N -2.88 0.50 0.14 0.08 -0.00 -0.80 -4.15 117.00 109.89 2roq n LEU 336 Ca -0.04 0.23 0.02 0.00 -0.00 0.00 0.00 56.01 56.22 2roq n LEU 336 Cb 0.72 0.25 0.06 0.00 -0.00 0.00 0.00 43.42 44.46 2roq n LEU 336 CO 0.41 0.34 0.48 1.05 -0.00 0.00 0.00 177.39 179.67 2roq h GLU 337 N 0.00 0.00 -4.54 1.47 -0.00 -1.52 -3.48 114.58 106.52 2roq h GLU 337 Ca -0.33 0.00 -0.39 0.00 -0.00 0.00 0.00 59.36 58.64 2roq h GLU 337 Cb 1.92 0.00 -0.10 0.00 -0.00 0.00 0.00 28.75 30.57 2roq h GLU 337 CO 0.05 0.53 -0.33 -1.58 -0.00 0.00 0.00 179.01 177.68 2roq s HIS 338 N -3.04 1.47 -0.63 2.06 2.46 -1.18 -5.05 115.29 111.37 2roq s HIS 338 Ca 0.03 -1.52 -0.02 0.00 0.47 0.00 0.00 55.06 54.02 2roq s HIS 338 Cb 0.08 -0.41 0.33 0.00 -0.13 0.00 0.00 32.58 32.45 2roq s HIS 338 CO 0.74 -1.03 2.14 -2.39 -2.47 0.00 0.00 174.74 171.72 2roq n HIS 339 N -0.62 2.65 -3.60 3.88 1.44 -1.26 -4.50 115.22 113.21 2roq n HIS 339 Ca 0.05 -2.50 -0.13 0.00 -2.01 0.00 0.00 57.72 53.13 2roq n HIS 339 Cb 0.62 -1.29 -0.05 0.00 0.12 0.00 0.00 29.99 29.39 2roq n HIS 339 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2roq s HIS 340 N -3.27 -0.35 0.18 -1.40 5.65 -1.26 -5.12 115.29 109.71 2roq s HIS 340 Ca 0.55 0.27 0.07 0.00 0.25 0.00 0.00 55.06 56.20 2roq s HIS 340 Cb 0.43 0.31 -0.04 0.00 -1.18 0.00 0.00 32.58 32.09 2roq s HIS 340 CO -0.16 -0.65 -0.14 -3.38 -0.65 0.00 0.00 174.74 169.76 2roq s HIS 341 N -2.85 1.59 -0.18 3.88 -3.43 -1.26 -3.48 115.29 109.56 2roq s HIS 341 Ca -0.03 -0.60 -0.11 0.00 -0.80 0.00 0.00 55.06 53.52 2roq s HIS 341 Cb -0.00 -0.77 0.04 0.00 -1.43 0.00 0.00 32.58 30.43 2roq s HIS 341 CO -0.05 0.27 0.23 1.58 -2.00 0.00 0.00 174.74 174.77 2roq n HIS 342 N -0.14 -4.22 -0.38 0.38 -0.00 -1.26 -5.06 115.22 104.54 2roq n HIS 342 Ca -0.10 2.43 0.00 0.00 0.46 0.00 0.00 57.72 60.51 2roq n HIS 342 Cb 0.60 -3.79 0.00 0.00 -0.12 0.00 0.00 29.99 26.67 2roq n HIS 342 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52