#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gr1 s LYS 7 N 0.00 3.72 0.54 1.96 1.02 -1.26 -5.06 119.74 120.67 2gr1 s LYS 7 Ca 0.00 -0.48 -0.16 0.00 0.02 0.00 0.00 55.97 55.35 2gr1 s LYS 7 Cb 0.00 -3.04 -0.06 0.00 -0.52 0.00 0.00 37.83 34.21 2gr1 s LYS 7 CO 0.00 0.17 1.02 0.00 -0.92 0.00 0.00 175.35 175.61 2gr1 s ALA 8 N 0.60 2.93 0.54 5.17 0.00 -1.26 -2.12 121.76 127.61 2gr1 s ALA 8 Ca -0.01 0.28 -0.12 0.00 0.00 0.00 0.00 51.96 52.11 2gr1 s ALA 8 Cb -0.14 -3.17 -0.06 0.00 0.00 0.00 0.00 23.12 19.76 2gr1 s ALA 8 CO 0.02 -0.47 0.94 -1.25 0.00 0.00 0.00 175.76 175.01 2gr1 s PRO 9 N -4.05 3.73 -0.16 0.00 0.04 -1.26 -3.74 135.00 129.57 2gr1 s PRO 9 Ca 0.61 0.70 -0.14 0.00 0.04 0.00 0.00 61.00 62.22 2gr1 s PRO 9 Cb -0.13 -2.18 -0.05 0.00 0.04 0.00 0.00 34.50 32.18 2gr1 s PRO 9 CO 0.33 -0.34 0.29 0.08 0.04 0.00 0.00 177.00 177.40 2gr1 s VAL 10 N -2.82 5.30 -0.10 -0.36 1.01 -0.53 -0.10 120.40 122.81 2gr1 s VAL 10 Ca 0.55 0.55 0.04 0.00 0.00 0.00 0.00 61.98 63.11 2gr1 s VAL 10 Cb -0.10 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.65 2gr1 s VAL 10 CO 0.42 0.40 -0.23 -0.69 0.00 0.00 0.00 175.10 175.00 2gr1 s VAL 11 N 0.40 1.98 -0.10 2.92 1.01 -0.63 -1.39 120.40 124.60 2gr1 s VAL 11 Ca 0.17 -0.97 0.02 0.00 0.00 0.00 0.00 61.98 61.19 2gr1 s VAL 11 Cb -0.13 -1.72 -0.01 0.00 0.00 0.00 0.00 36.38 34.52 2gr1 s VAL 11 CO 0.04 0.54 -0.17 -0.69 0.00 0.00 0.00 175.10 174.82 2gr1 s VAL 12 N 0.39 2.68 -0.24 2.92 1.01 0.02 -0.84 120.40 126.34 2gr1 s VAL 12 Ca -0.18 -0.81 -0.09 0.00 0.00 0.00 0.00 61.98 60.90 2gr1 s VAL 12 Cb -0.18 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 34.09 2gr1 s VAL 12 CO 0.08 0.55 0.11 -0.76 0.00 0.00 0.00 175.10 175.08 2gr1 s LEU 13 N 0.13 3.75 0.00 3.92 1.43 0.22 -0.42 118.68 127.72 2gr1 s LEU 13 Ca -0.09 -0.06 0.00 0.00 -1.03 0.00 0.00 54.13 52.96 2gr1 s LEU 13 Cb -0.15 -2.00 0.00 0.00 0.03 0.00 0.00 46.19 44.06 2gr1 s LEU 13 CO 0.05 0.02 0.00 0.61 0.23 0.00 0.00 176.35 177.26 2gr1 n GLY 14 N 4.58 2.00 1.99 -3.19 0.00 0.14 -0.06 105.19 110.65 2gr1 n GLY 14 Ca -0.16 -1.60 -0.05 0.00 0.00 0.00 0.00 46.02 44.21 2gr1 n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gr1 n ALA 15 N 1.91 3.42 -1.54 4.61 0.00 -1.26 -4.55 120.51 123.10 2gr1 n ALA 15 Ca 0.00 -3.06 0.00 0.00 0.00 0.00 0.00 53.44 50.38 2gr1 n ALA 15 Cb 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 19.45 18.84 2gr1 n ALA 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gr1 n GLY 16 N -0.50 -0.19 0.29 0.00 0.00 -1.26 -4.59 105.19 98.94 2gr1 n GLY 16 Ca 0.19 -1.80 0.02 0.00 0.00 0.00 0.00 46.02 44.44 2gr1 n GLY 16 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2gr1 h LEU 17 N 0.00 0.56 -0.38 0.99 5.85 -1.95 -0.84 115.31 119.55 2gr1 h LEU 17 Ca 0.00 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 2gr1 h LEU 17 Cb 0.00 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 2gr1 h LEU 17 CO 0.00 0.32 0.21 0.00 -0.34 0.00 0.00 178.44 178.62 2gr1 h ALA 18 N 1.45 0.48 0.09 1.25 0.00 -1.92 -0.16 119.26 120.45 2gr1 h ALA 18 Ca 0.38 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.20 2gr1 h ALA 18 Cb 0.38 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2gr1 h ALA 18 CO -0.26 0.01 -0.04 1.03 0.00 0.00 0.00 179.25 179.99 2gr1 h SER 19 N 0.48 -0.10 -0.61 0.00 0.87 -1.71 -0.89 113.55 111.58 2gr1 h SER 19 Ca 0.13 -0.06 0.03 0.00 -1.23 0.00 0.00 61.79 60.67 2gr1 h SER 19 Cb 0.06 0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 62.00 2gr1 h SER 19 CO -0.02 -0.01 0.37 0.58 -0.53 0.00 0.00 176.83 177.22 2gr1 h VAL 20 N -0.19 1.05 -0.56 2.23 2.07 -1.03 -0.15 116.25 119.67 2gr1 h VAL 20 Ca -0.01 -0.25 -0.04 0.00 0.82 0.00 0.00 66.70 67.22 2gr1 h VAL 20 Cb 0.15 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.17 2gr1 h VAL 20 CO 0.02 0.13 0.20 0.28 0.02 0.00 0.00 177.57 178.22 2gr1 h SER 21 N 0.72 0.79 0.38 0.57 0.02 -0.87 -1.56 113.55 113.60 2gr1 h SER 21 Ca 0.25 -0.19 -0.02 0.00 -0.84 0.00 0.00 61.79 61.00 2gr1 h SER 21 Cb 0.05 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.39 2gr1 h SER 21 CO -0.11 0.77 -0.18 0.15 -1.14 0.00 0.00 176.83 176.31 2gr1 h PHE 22 N 0.78 -0.47 -0.45 3.45 3.57 -0.82 -1.74 116.94 121.25 2gr1 h PHE 22 Ca 0.18 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.60 2gr1 h PHE 22 Cb 0.24 0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.11 2gr1 h PHE 22 CO 0.01 -0.28 -0.00 -0.39 -2.23 0.00 0.00 178.31 175.41 2gr1 h VAL 23 N -0.52 1.23 -0.59 1.41 -1.51 -0.91 0.27 116.25 115.63 2gr1 h VAL 23 Ca -0.05 -0.97 -0.07 0.00 -1.23 0.00 0.00 66.70 64.38 2gr1 h VAL 23 Cb 0.40 0.90 -0.02 0.00 -2.13 0.00 0.00 31.29 30.43 2gr1 h VAL 23 CO 0.09 0.34 0.10 0.00 -1.23 0.00 0.00 177.57 176.87 2gr1 h ALA 24 N 1.31 0.78 -0.55 5.19 0.00 -1.28 -2.48 119.26 122.23 2gr1 h ALA 24 Ca 0.14 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 2gr1 h ALA 24 Cb 0.43 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2gr1 h ALA 24 CO 0.02 0.52 -0.05 1.49 0.00 0.00 0.00 179.25 181.22 2gr1 h GLU 25 N 0.86 0.99 -0.34 0.00 4.57 -0.80 -0.47 114.58 119.39 2gr1 h GLU 25 Ca 0.18 -0.33 0.06 0.00 -1.18 0.00 0.00 59.36 58.10 2gr1 h GLU 25 Cb 0.41 -0.08 -0.06 0.00 -0.16 0.00 0.00 28.75 28.85 2gr1 h GLU 25 CO 0.01 1.00 -0.03 -0.07 -1.18 0.00 0.00 179.01 178.74 2gr1 h LEU 26 N 0.89 -0.21 -0.36 1.64 3.38 -0.71 0.14 115.31 120.08 2gr1 h LEU 26 Ca 0.15 0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.18 2gr1 h LEU 26 Cb 0.59 0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 2gr1 h LEU 26 CO 0.04 -0.07 0.11 0.03 0.09 0.00 0.00 178.44 178.64 2gr1 h ARG 27 N 0.06 0.57 -0.10 1.13 2.47 -1.25 -1.56 114.38 115.70 2gr1 h ARG 27 Ca 0.17 -0.13 -0.07 0.00 -1.26 0.00 0.00 59.98 58.69 2gr1 h ARG 27 Cb 0.24 -0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 28.47 2gr1 h ARG 27 CO -0.31 0.59 -0.24 1.96 0.56 0.00 0.00 179.97 182.54 2gr1 h GLN 28 N 0.44 0.16 0.00 0.04 1.08 -0.65 -2.26 115.11 113.91 2gr1 h GLN 28 Ca 0.12 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.27 2gr1 h GLN 28 Cb 0.27 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.68 2gr1 h GLN 28 CO -0.00 0.40 0.00 0.00 -0.95 0.00 0.00 178.83 178.28 2gr1 n ALA 29 N -2.48 2.12 0.00 3.87 0.00 0.46 -4.91 120.51 119.56 2gr1 n ALA 29 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2gr1 n ALA 29 Cb 0.33 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.34 2gr1 n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gr1 n GLY 30 N 0.97 1.05 3.68 0.00 0.00 -0.85 -4.95 105.19 105.09 2gr1 n GLY 30 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 2gr1 n GLY 30 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2gr1 s TYR 31 N -2.00 3.19 -0.13 1.61 5.04 -0.62 -4.90 117.35 119.54 2gr1 s TYR 31 Ca 0.00 1.26 0.04 0.00 -2.44 0.00 0.00 57.07 55.93 2gr1 s TYR 31 Cb 0.00 -3.39 0.08 0.00 0.35 0.00 0.00 41.96 39.01 2gr1 s TYR 31 CO 0.00 -1.15 1.06 1.04 -1.34 0.00 0.00 175.55 175.16 2gr1 n GLN 32 N 5.49 2.76 -1.81 4.97 1.13 -1.26 -4.18 117.38 124.49 2gr1 n GLN 32 Ca 0.11 -1.73 -0.29 0.00 -1.94 0.00 0.00 57.00 53.15 2gr1 n GLN 32 Cb 0.46 -1.11 0.21 0.00 0.11 0.00 0.00 30.24 29.91 2gr1 n GLN 32 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2gr1 n GLY 33 N -0.50 -1.64 3.77 1.08 0.00 -1.26 -4.97 105.19 101.66 2gr1 n GLY 33 Ca 0.04 -1.69 -0.41 0.00 0.00 0.00 0.00 46.02 43.96 2gr1 n GLY 33 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2gr1 n LEU 34 N 0.00 4.69 -3.90 0.99 4.77 -1.26 -4.91 117.00 117.38 2gr1 n LEU 34 Ca 0.16 1.22 -0.22 0.00 -0.03 0.00 0.00 56.01 57.15 2gr1 n LEU 34 Cb 0.58 -1.61 -0.17 0.00 -2.33 0.00 0.00 43.42 39.89 2gr1 n LEU 34 CO 0.42 0.13 -0.42 -0.63 -1.33 0.00 0.00 177.39 175.56 2gr1 s ILE 35 N -1.01 0.66 -0.06 -0.08 1.01 -1.26 -1.45 121.20 119.01 2gr1 s ILE 35 Ca 0.54 -0.17 0.03 0.00 0.00 0.00 0.00 60.65 61.05 2gr1 s ILE 35 Cb -0.48 -0.68 0.01 0.00 0.01 0.00 0.00 42.46 41.32 2gr1 s ILE 35 CO 0.62 0.26 -0.13 -0.89 0.00 0.00 0.00 174.94 174.80 2gr1 s THR 36 N 1.07 1.20 -0.12 2.92 2.01 -0.48 -2.30 115.64 119.94 2gr1 s THR 36 Ca -0.08 -0.53 0.02 0.00 0.31 0.00 0.00 61.69 61.40 2gr1 s THR 36 Cb -0.14 -1.08 -0.01 0.00 0.01 0.00 0.00 72.50 71.28 2gr1 s THR 36 CO -0.01 0.37 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.42 2gr1 s VAL 37 N 0.52 2.63 -0.25 3.82 1.01 -0.15 -0.80 120.40 127.17 2gr1 s VAL 37 Ca -0.12 -0.81 -0.06 0.00 0.00 0.00 0.00 61.98 60.98 2gr1 s VAL 37 Cb -0.15 -2.07 -0.01 0.00 0.00 0.00 0.00 36.38 34.15 2gr1 s VAL 37 CO 0.04 0.54 0.04 -0.69 0.00 0.00 0.00 175.10 175.02 2gr1 s VAL 38 N 0.32 3.91 -0.15 2.92 1.01 0.44 0.34 120.40 129.20 2gr1 s VAL 38 Ca -0.14 -0.43 0.00 0.00 0.00 0.00 0.00 61.98 61.41 2gr1 s VAL 38 Cb -0.17 -2.87 0.03 0.00 0.00 0.00 0.00 36.38 33.36 2gr1 s VAL 38 CO 0.07 0.29 -0.12 -0.83 0.00 0.00 0.00 175.10 174.50 2gr1 s GLY 39 N 1.54 1.08 0.31 4.51 0.00 -0.14 0.28 107.32 114.90 2gr1 s GLY 39 Ca 0.05 -0.86 0.10 0.00 0.00 0.00 0.00 44.72 44.01 2gr1 s GLY 39 CO 0.01 0.61 1.71 1.29 0.00 0.00 0.00 173.10 176.72 2gr1 h ASP 40 N 8.07 0.07 -3.48 1.64 -0.00 -1.74 0.29 116.42 121.28 2gr1 h ASP 40 Ca -0.35 -0.03 -0.52 0.00 -0.00 0.00 0.00 57.03 56.12 2gr1 h ASP 40 Cb 1.13 -0.02 0.01 0.00 -0.00 0.00 0.00 39.33 40.45 2gr1 h ASP 40 CO 0.50 0.54 0.50 -1.61 -0.00 0.00 0.00 179.24 179.17 2gr1 s GLU 41 N -3.95 4.55 -1.40 4.15 2.02 -1.26 -3.73 118.70 119.08 2gr1 s GLU 41 Ca -0.03 1.74 -0.10 0.00 0.02 0.00 0.00 54.97 56.60 2gr1 s GLU 41 Cb 0.13 -3.29 0.08 0.00 0.10 0.00 0.00 34.13 31.15 2gr1 s GLU 41 CO 0.75 -0.01 2.26 0.00 0.02 0.00 0.00 175.26 178.28 2gr1 n ALA 42 N 2.70 6.06 -3.22 5.21 0.00 -1.26 -2.25 120.51 127.75 2gr1 n ALA 42 Ca 0.04 -4.01 -0.13 0.00 0.00 0.00 0.00 53.44 49.35 2gr1 n ALA 42 Cb 0.46 -3.18 -0.13 0.00 0.00 0.00 0.00 19.45 16.60 2gr1 n ALA 42 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2gr1 s GLU 43 N 1.28 0.19 0.14 0.00 0.41 -1.26 -4.90 118.70 114.56 2gr1 s GLU 43 Ca 0.50 0.29 -0.35 0.00 -0.41 0.00 0.00 54.97 55.00 2gr1 s GLU 43 Cb 0.14 0.04 -0.15 0.00 -1.78 0.00 0.00 34.13 32.38 2gr1 s GLU 43 CO -0.05 -0.06 1.44 -2.13 -0.49 0.00 0.00 175.26 173.97 2gr1 n ARG 44 N 3.28 1.70 -1.61 1.61 3.00 -1.26 -4.80 116.66 118.57 2gr1 n ARG 44 Ca -0.16 0.61 -0.46 0.00 -0.00 0.00 0.00 57.85 57.85 2gr1 n ARG 44 Cb 0.57 -2.30 -0.02 0.00 0.00 0.00 0.00 32.46 30.70 2gr1 n ARG 44 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.63 175.33 2gr1 n PRO 45 N 2.82 1.49 -4.01 -0.14 -0.02 -1.26 -4.85 135.00 129.03 2gr1 n PRO 45 Ca 0.17 0.53 -0.08 0.00 -2.02 0.00 0.00 63.50 62.10 2gr1 n PRO 45 Cb 0.25 -2.01 -0.09 0.00 -0.02 0.00 0.00 33.50 31.63 2gr1 n PRO 45 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 2gr1 s TYR 46 N -0.57 0.42 0.01 6.00 -0.85 -1.26 -1.00 117.35 120.10 2gr1 s TYR 46 Ca 0.65 -0.91 -0.15 0.00 -0.52 0.00 0.00 57.07 56.14 2gr1 s TYR 46 Cb -0.73 -0.28 -0.06 0.00 0.38 0.00 0.00 41.96 41.28 2gr1 s TYR 46 CO 0.55 -0.46 0.43 0.34 -1.52 0.00 0.00 175.55 174.90 2gr1 s ASP 47 N -2.91 6.84 0.02 -0.18 3.68 0.27 -4.61 116.67 119.78 2gr1 s ASP 47 Ca 0.08 1.00 0.04 0.00 2.13 0.00 0.00 52.55 55.80 2gr1 s ASP 47 Cb 0.07 -2.26 -0.24 0.00 -1.45 0.00 0.00 42.92 39.03 2gr1 s ASP 47 CO -0.09 0.32 0.92 0.03 0.13 0.00 0.00 175.17 176.47 2gr1 h ARG 48 N 4.66 0.11 -0.94 4.34 3.08 -1.92 -3.39 114.38 120.32 2gr1 h ARG 48 Ca -0.51 -0.19 0.19 0.00 0.07 0.00 0.00 59.98 59.54 2gr1 h ARG 48 Cb 1.22 0.07 -0.11 0.00 0.08 0.00 0.00 29.97 31.23 2gr1 h ARG 48 CO 0.62 0.91 0.52 -1.35 -1.07 0.00 0.00 179.97 179.60 2gr1 h PRO 49 N 0.03 0.61 0.00 0.04 0.11 -1.97 0.33 132.00 131.15 2gr1 h PRO 49 Ca -0.19 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.88 2gr1 h PRO 49 Cb 1.94 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.92 2gr1 h PRO 49 CO 0.13 0.40 0.07 -1.35 -0.21 0.00 0.00 178.00 177.04 2gr1 h PRO 50 N 0.63 0.00 0.00 1.05 0.11 -1.97 -2.66 132.00 129.16 2gr1 h PRO 50 Ca 0.55 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.66 2gr1 h PRO 50 Cb 0.91 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.01 2gr1 h PRO 50 CO -0.42 0.00 -0.02 -0.07 -0.21 0.00 0.00 178.00 177.28 2gr1 h LEU 51 N 0.00 0.00 -1.56 2.35 3.38 -1.19 0.24 115.31 118.54 2gr1 h LEU 51 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2gr1 h LEU 51 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 2gr1 h LEU 51 CO 0.00 0.02 -0.19 -1.54 0.09 0.00 0.00 178.44 176.82 2gr1 n SER 52 N -3.64 2.61 0.00 -0.43 3.41 -1.00 -3.93 113.62 110.64 2gr1 n SER 52 Ca -0.03 -1.81 0.00 0.00 -0.26 0.00 0.00 58.87 56.78 2gr1 n SER 52 Cb 0.11 0.19 0.00 0.00 -0.26 0.00 0.00 64.21 64.25 2gr1 n SER 52 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2gr1 n LYS 53 N 0.80 0.00 0.16 4.33 4.81 -0.40 -3.92 118.16 123.94 2gr1 n LYS 53 Ca 0.12 0.00 0.01 0.00 -0.87 0.00 0.00 58.31 57.57 2gr1 n LYS 53 Cb 0.55 0.00 0.29 0.00 0.02 0.00 0.00 35.03 35.89 2gr1 n LYS 53 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 2gr1 h ASP 54 N 0.00 0.05 -0.12 3.14 3.32 -1.80 0.11 116.42 121.12 2gr1 h ASP 54 Ca 0.00 -0.02 -0.09 0.00 0.02 0.00 0.00 57.03 56.93 2gr1 h ASP 54 Cb 0.00 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.54 2gr1 h ASP 54 CO 0.00 0.48 -0.29 0.15 -1.72 0.00 0.00 179.24 177.85 2gr1 h PHE 55 N 0.04 0.52 -0.83 4.55 3.57 -1.33 0.15 116.94 123.62 2gr1 h PHE 55 Ca 0.00 -0.20 0.07 0.00 3.53 0.00 0.00 57.97 61.37 2gr1 h PHE 55 Cb 0.77 -0.09 -0.06 0.00 2.79 0.00 0.00 35.95 39.36 2gr1 h PHE 55 CO 0.00 0.91 0.50 1.98 -2.23 0.00 0.00 178.31 179.47 2gr1 h MET 56 N -0.02 0.86 0.04 1.11 4.05 -1.36 0.44 114.93 120.04 2gr1 h MET 56 Ca -0.00 -0.05 -0.24 0.00 -0.28 0.00 0.00 59.70 59.13 2gr1 h MET 56 Cb 0.90 -0.19 0.00 0.00 -0.80 0.00 0.00 31.60 31.51 2gr1 h MET 56 CO 0.06 0.57 -1.02 0.00 0.23 0.00 0.00 176.91 176.75 2gr1 h ALA 57 N 1.41 0.29 0.00 0.39 0.00 -0.78 -3.41 119.26 117.17 2gr1 h ALA 57 Ca 0.37 -0.75 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2gr1 h ALA 57 Cb 0.24 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2gr1 h ALA 57 CO -0.20 0.85 -0.81 0.72 0.00 0.00 0.00 179.25 179.81 2gr1 n HIS 58 N -3.69 0.00 -2.15 0.00 8.25 0.53 -5.08 115.22 113.08 2gr1 n HIS 58 Ca -0.07 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.28 2gr1 n HIS 58 Cb 0.88 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.99 2gr1 n HIS 58 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2gr1 n GLY 59 N 2.04 0.01 3.16 -1.41 0.00 0.15 -5.00 105.19 104.13 2gr1 n GLY 59 Ca 0.00 -0.45 -0.38 0.00 0.00 0.00 0.00 46.02 45.18 2gr1 n GLY 59 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2gr1 s ASP 60 N -2.55 5.48 0.57 1.61 3.68 -1.26 -4.94 116.67 119.26 2gr1 s ASP 60 Ca 0.00 -2.00 0.34 0.00 2.13 0.00 0.00 52.55 53.03 2gr1 s ASP 60 Cb 0.00 -1.92 1.71 0.00 -1.45 0.00 0.00 42.92 41.27 2gr1 s ASP 60 CO 0.00 -0.61 2.13 0.00 0.13 0.00 0.00 175.17 176.82 2gr1 h ALA 61 N 8.22 1.11 0.00 3.66 0.00 -1.95 -1.90 119.26 128.40 2gr1 h ALA 61 Ca -0.16 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2gr1 h ALA 61 Cb 1.06 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2gr1 h ALA 61 CO 0.78 0.06 0.00 0.39 0.00 0.00 0.00 179.25 180.48 2gr1 n GLU 62 N -3.31 0.27 0.00 0.00 -0.58 -1.26 -1.70 120.64 114.07 2gr1 n GLU 62 Ca -0.01 0.09 0.13 0.00 -0.42 0.00 0.00 57.16 56.94 2gr1 n GLU 62 Cb 0.21 -1.50 0.34 0.00 -0.57 0.00 0.00 31.44 29.92 2gr1 n GLU 62 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2gr1 n LYS 63 N -1.30 0.30 -0.01 3.49 5.02 -0.71 -4.35 118.16 120.59 2gr1 n LYS 63 Ca 0.10 -0.17 0.01 0.00 -2.02 0.00 0.00 58.31 56.23 2gr1 n LYS 63 Cb 0.17 -1.50 0.01 0.00 -0.02 0.00 0.00 35.03 33.70 2gr1 n LYS 63 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 2gr1 n ILE 64 N -1.20 0.66 -2.26 -0.18 -5.35 -0.69 -5.04 119.36 105.29 2gr1 n ILE 64 Ca 0.08 -0.83 -0.37 0.00 -0.27 0.00 0.00 62.75 61.36 2gr1 n ILE 64 Cb 0.33 0.68 -0.01 0.00 -1.74 0.00 0.00 39.64 38.90 2gr1 n ILE 64 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 2gr1 s ARG 65 N -0.70 3.87 0.34 6.28 1.81 -1.22 -0.57 118.95 128.76 2gr1 s ARG 65 Ca 0.02 1.81 -0.25 0.00 -1.72 0.00 0.00 55.73 55.60 2gr1 s ARG 65 Cb 0.01 -2.51 -0.10 0.00 -0.45 0.00 0.00 34.95 31.91 2gr1 s ARG 65 CO 0.02 -0.47 0.93 -0.51 -0.68 0.00 0.00 175.30 174.59 2gr1 s LEU 66 N -2.83 4.26 -0.40 2.53 1.43 -0.17 -4.76 118.68 118.74 2gr1 s LEU 66 Ca 0.61 1.78 -0.26 0.00 -1.03 0.00 0.00 54.13 55.22 2gr1 s LEU 66 Cb -0.30 -4.08 0.02 0.00 0.03 0.00 0.00 46.19 41.86 2gr1 s LEU 66 CO 0.36 -0.12 0.96 -0.62 0.23 0.00 0.00 176.35 177.17 2gr1 s ASP 67 N -1.73 6.64 -0.00 2.29 2.15 -1.26 -4.89 116.67 119.87 2gr1 s ASP 67 Ca 0.52 0.47 0.22 0.00 0.43 0.00 0.00 52.55 54.19 2gr1 s ASP 67 Cb -0.17 -2.48 0.65 0.00 -0.30 0.00 0.00 42.92 40.63 2gr1 s ASP 67 CO 0.22 -0.96 1.54 0.00 -0.17 0.00 0.00 175.17 175.80 2gr1 h LYS 69 N 4.29 0.00 0.00 0.00 2.10 -2.01 0.03 116.57 120.98 2gr1 h LYS 69 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2gr1 h LYS 69 Cb 1.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.33 2gr1 h LYS 69 CO 0.01 0.34 0.00 0.54 -2.00 0.00 0.00 179.45 178.34 2gr1 n ARG 70 N -3.47 0.86 -3.17 0.07 1.74 -1.26 -3.84 116.66 107.59 2gr1 n ARG 70 Ca 0.00 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.80 2gr1 n ARG 70 Cb 0.50 -1.42 -0.06 0.00 -1.02 0.00 0.00 32.46 30.47 2gr1 n ARG 70 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2gr1 n ALA 71 N -0.92 4.47 -1.28 7.54 0.00 -0.00 -4.43 120.51 125.88 2gr1 n ALA 71 Ca 0.17 -4.75 -0.32 0.00 0.00 0.00 0.00 53.44 48.55 2gr1 n ALA 71 Cb 0.08 -0.96 0.09 0.00 0.00 0.00 0.00 19.45 18.66 2gr1 n ALA 71 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2gr1 s PRO 72 N -2.99 2.29 -1.34 0.00 0.04 -1.25 -3.92 135.00 127.83 2gr1 s PRO 72 Ca 0.43 1.25 -0.07 0.00 0.04 0.00 0.00 61.00 62.65 2gr1 s PRO 72 Cb 0.20 -1.90 0.01 0.00 0.04 0.00 0.00 34.50 32.86 2gr1 s PRO 72 CO -0.06 -1.63 1.12 0.39 0.04 0.00 0.00 177.00 176.86 2gr1 n GLU 73 N -3.32 -7.47 -5.00 4.56 -0.58 -1.26 -5.00 120.64 102.57 2gr1 n GLU 73 Ca 0.10 0.81 -0.32 0.00 -0.42 0.00 0.00 57.16 57.33 2gr1 n GLU 73 Cb 0.53 -5.84 -0.15 0.00 -0.57 0.00 0.00 31.44 25.40 2gr1 n GLU 73 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2gr1 s VAL 74 N -3.34 2.61 -0.32 2.62 1.01 -1.25 -4.45 120.40 117.28 2gr1 s VAL 74 Ca 0.46 -0.84 -0.19 0.00 0.00 0.00 0.00 61.98 61.41 2gr1 s VAL 74 Cb -0.20 -2.04 -0.01 0.00 0.00 0.00 0.00 36.38 34.13 2gr1 s VAL 74 CO 0.74 0.55 0.58 -0.70 0.00 0.00 0.00 175.10 176.27 2gr1 s GLU 75 N 0.08 3.79 -0.40 2.72 2.12 -0.97 -5.01 118.70 121.03 2gr1 s GLU 75 Ca -0.08 0.11 -0.18 0.00 0.36 0.00 0.00 54.97 55.19 2gr1 s GLU 75 Cb -0.15 -3.76 0.01 0.00 0.26 0.00 0.00 34.13 30.49 2gr1 s GLU 75 CO 0.05 -0.60 0.47 -1.58 -0.54 0.00 0.00 175.26 173.07 2gr1 s TRP 76 N 2.53 3.16 -0.87 5.30 0.52 -1.26 -0.98 118.94 127.33 2gr1 s TRP 76 Ca 0.22 -0.16 -0.17 0.00 0.02 0.00 0.00 56.10 56.01 2gr1 s TRP 76 Cb -0.15 -2.94 0.16 0.00 -1.15 0.00 0.00 33.47 29.39 2gr1 s TRP 76 CO 0.13 -0.66 0.98 -0.51 0.02 0.00 0.00 176.95 176.91 2gr1 s LEU 77 N 2.28 5.64 0.27 2.99 1.43 0.15 -4.98 118.68 126.48 2gr1 s LEU 77 Ca 0.15 -2.22 -0.16 0.00 -1.03 0.00 0.00 54.13 50.88 2gr1 s LEU 77 Cb -0.16 -2.33 -0.08 0.00 0.03 0.00 0.00 46.19 43.64 2gr1 s LEU 77 CO 0.14 -0.91 0.70 -0.76 0.23 0.00 0.00 176.35 175.76 2gr1 s LEU 78 N 1.85 4.17 -0.71 1.79 1.43 -1.26 -0.97 118.68 124.98 2gr1 s LEU 78 Ca 0.26 1.27 0.00 0.00 -1.03 0.00 0.00 54.13 54.63 2gr1 s LEU 78 Cb -0.08 -3.85 0.00 0.00 0.03 0.00 0.00 46.19 42.29 2gr1 s LEU 78 CO -0.08 -0.11 0.00 0.61 0.23 0.00 0.00 176.35 177.00 2gr1 n GLY 79 N 0.03 0.72 3.16 -3.19 0.00 0.95 -4.82 105.19 102.03 2gr1 n GLY 79 Ca 0.01 -0.70 -0.28 0.00 0.00 0.00 0.00 46.02 45.06 2gr1 n GLY 79 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2gr1 s VAL 80 N -2.28 1.59 -0.20 1.61 1.01 -0.67 -4.87 120.40 116.59 2gr1 s VAL 80 Ca 0.00 -0.79 -0.07 0.00 0.00 0.00 0.00 61.98 61.12 2gr1 s VAL 80 Cb 0.00 -1.37 -0.04 0.00 0.00 0.00 0.00 36.38 34.97 2gr1 s VAL 80 CO 0.00 0.45 0.05 -0.89 0.00 0.00 0.00 175.10 174.71 2gr1 s THR 81 N 0.11 4.52 -0.08 3.92 2.01 -1.26 -2.31 115.64 122.55 2gr1 s THR 81 Ca -0.07 -0.12 -0.30 0.00 0.31 0.00 0.00 61.69 61.51 2gr1 s THR 81 Cb -0.13 -3.05 -0.04 0.00 0.01 0.00 0.00 72.50 69.29 2gr1 s THR 81 CO 0.03 0.43 1.35 0.00 -0.69 0.00 0.00 174.62 175.74 2gr1 s ALA 82 N 0.74 3.60 -0.14 7.40 0.00 -1.26 -0.10 121.76 132.00 2gr1 s ALA 82 Ca 0.03 0.68 0.13 0.00 0.00 0.00 0.00 51.96 52.80 2gr1 s ALA 82 Cb -0.14 -3.61 -0.24 0.00 0.00 0.00 0.00 23.12 19.14 2gr1 s ALA 82 CO 0.02 -1.05 0.29 1.04 0.00 0.00 0.00 175.76 176.06 2gr1 n GLN 83 N 6.05 0.67 -3.59 0.00 6.02 0.54 -4.94 117.38 122.12 2gr1 n GLN 83 Ca 0.14 0.14 -0.07 0.00 -0.01 0.00 0.00 57.00 57.19 2gr1 n GLN 83 Cb 0.44 -1.64 -0.02 0.00 1.02 0.00 0.00 30.24 30.05 2gr1 n GLN 83 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 2gr1 s SER 84 N -5.93 -0.34 0.03 1.08 1.04 -1.22 -4.91 113.70 103.46 2gr1 s SER 84 Ca -0.11 -0.17 0.03 0.00 0.48 0.00 0.00 55.95 56.18 2gr1 s SER 84 Cb 0.07 0.48 -0.02 0.00 0.10 0.00 0.00 66.02 66.65 2gr1 s SER 84 CO 0.80 -0.83 -0.09 0.72 0.98 0.00 0.00 173.24 174.82 2gr1 s PHE 85 N -3.35 0.81 -0.42 5.02 -0.12 -1.26 -0.83 117.98 117.83 2gr1 s PHE 85 Ca 0.07 -0.38 -0.09 0.00 -0.05 0.00 0.00 56.93 56.48 2gr1 s PHE 85 Cb -0.02 -0.48 0.08 0.00 -0.63 0.00 0.00 43.02 41.97 2gr1 s PHE 85 CO -0.05 -0.03 0.27 0.34 -0.05 0.00 0.00 175.22 175.70 2gr1 s ASP 86 N -1.19 5.66 0.02 1.98 3.68 0.26 -4.79 116.67 122.28 2gr1 s ASP 86 Ca -0.04 -1.52 0.20 0.00 2.13 0.00 0.00 52.55 53.33 2gr1 s ASP 86 Cb -0.08 -1.99 0.86 0.00 -1.45 0.00 0.00 42.92 40.26 2gr1 s ASP 86 CO 0.01 -0.55 1.65 -0.81 0.13 0.00 0.00 175.17 175.60 2gr1 n PRO 87 N 4.92 0.02 -0.06 4.34 -0.04 -1.26 -0.28 135.00 142.64 2gr1 n PRO 87 Ca -0.10 0.17 -0.19 0.00 -0.04 0.00 0.00 63.50 63.35 2gr1 n PRO 87 Cb 0.43 -1.53 -0.13 0.00 -0.04 0.00 0.00 33.50 32.23 2gr1 n PRO 87 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 2gr1 h GLN 88 N 0.00 0.05 0.00 0.54 4.20 -1.96 -3.35 115.11 114.60 2gr1 h GLN 88 Ca 0.00 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.62 2gr1 h GLN 88 Cb 0.36 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.18 2gr1 h GLN 88 CO 0.00 1.04 0.00 0.00 -0.67 0.00 0.00 178.83 179.20 2gr1 h ALA 89 N -0.20 1.00 -5.79 3.87 0.00 -1.96 -3.47 119.26 112.71 2gr1 h ALA 89 Ca -0.20 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.37 2gr1 h ALA 89 Cb 1.28 0.00 0.14 0.00 0.00 0.00 0.00 17.79 19.20 2gr1 h ALA 89 CO -0.07 0.00 -0.84 0.72 0.00 0.00 0.00 179.25 179.07 2gr1 n HIS 90 N -2.38 -2.16 -4.15 0.00 8.25 0.61 -4.89 115.22 110.50 2gr1 n HIS 90 Ca 0.03 0.82 -0.13 0.00 -0.26 0.00 0.00 57.72 58.19 2gr1 n HIS 90 Cb 0.32 -4.39 -0.11 0.00 1.12 0.00 0.00 29.99 26.93 2gr1 n HIS 90 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2gr1 s THR 91 N -3.47 0.78 -0.09 1.59 -4.23 -0.99 -0.98 115.64 108.26 2gr1 s THR 91 Ca 0.20 -1.63 0.04 0.00 -1.18 0.00 0.00 61.69 59.11 2gr1 s THR 91 Cb -0.04 -1.33 0.00 0.00 1.34 0.00 0.00 72.50 72.48 2gr1 s THR 91 CO 0.77 -0.63 -0.21 -0.69 -0.54 0.00 0.00 174.62 173.32 2gr1 s VAL 92 N -2.64 1.84 -0.20 2.29 1.01 0.63 -0.58 120.40 122.75 2gr1 s VAL 92 Ca 0.05 -0.90 -0.16 0.00 0.00 0.00 0.00 61.98 60.96 2gr1 s VAL 92 Cb -0.01 -1.60 -0.04 0.00 0.00 0.00 0.00 36.38 34.73 2gr1 s VAL 92 CO -0.01 0.51 0.42 0.00 0.00 0.00 0.00 175.10 176.02 2gr1 s ALA 93 N 0.34 3.55 0.15 5.51 0.00 -0.01 -0.85 121.76 130.46 2gr1 s ALA 93 Ca -0.16 -0.51 0.04 0.00 0.00 0.00 0.00 51.96 51.34 2gr1 s ALA 93 Cb -0.17 -2.67 -0.04 0.00 0.00 0.00 0.00 23.12 20.25 2gr1 s ALA 93 CO 0.07 -0.33 0.18 -0.51 0.00 0.00 0.00 175.76 175.17 2gr1 s LEU 94 N 1.38 3.98 0.59 0.00 1.43 0.25 -0.34 118.68 125.97 2gr1 s LEU 94 Ca 0.20 -0.03 0.37 0.00 -1.03 0.00 0.00 54.13 53.64 2gr1 s LEU 94 Cb -0.15 -2.58 1.85 0.00 0.03 0.00 0.00 46.19 45.34 2gr1 s LEU 94 CO 0.08 0.07 2.18 0.77 0.23 0.00 0.00 176.35 179.68 2gr1 h SER 95 N 2.37 0.00 -0.09 2.29 4.64 -0.80 -1.76 113.55 120.20 2gr1 h SER 95 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 2gr1 h SER 95 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 2gr1 h SER 95 CO 0.65 0.03 0.00 -0.90 -0.87 0.00 0.00 176.83 175.74 2gr1 n ASP 96 N -3.23 1.11 0.00 4.97 5.68 -1.26 -4.91 116.55 118.90 2gr1 n ASP 96 Ca -0.02 -1.55 0.00 0.00 -0.50 0.00 0.00 54.79 52.73 2gr1 n ASP 96 Cb 0.19 -0.05 0.00 0.00 -1.14 0.00 0.00 41.12 40.11 2gr1 n ASP 96 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2gr1 n GLY 97 N 1.05 0.39 3.89 6.12 0.00 -0.66 -5.07 105.19 110.91 2gr1 n GLY 97 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 2gr1 n GLY 97 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2gr1 s ARG 98 N -0.87 3.29 -0.04 1.61 1.81 -1.26 -4.85 118.95 118.64 2gr1 s ARG 98 Ca 0.00 0.41 0.05 0.00 -1.72 0.00 0.00 55.73 54.48 2gr1 s ARG 98 Cb 0.00 -2.17 -0.01 0.00 -0.45 0.00 0.00 34.95 32.32 2gr1 s ARG 98 CO 0.00 -0.62 -0.20 0.99 -0.68 0.00 0.00 175.30 174.80 2gr1 s THR 99 N -3.08 1.59 -0.13 0.02 2.01 -1.26 -0.58 115.64 114.20 2gr1 s THR 99 Ca 0.54 -0.83 -0.02 0.00 0.31 0.00 0.00 61.69 61.69 2gr1 s THR 99 Cb -0.11 -1.35 -0.03 0.00 0.01 0.00 0.00 72.50 71.03 2gr1 s THR 99 CO 0.50 0.45 -0.05 -0.76 -0.69 0.00 0.00 174.62 174.07 2gr1 s LEU 100 N -0.17 3.19 0.45 4.42 1.43 -0.03 -4.94 118.68 123.04 2gr1 s LEU 100 Ca 0.00 -0.11 -0.17 0.00 -1.03 0.00 0.00 54.13 52.82 2gr1 s LEU 100 Cb -0.11 -1.74 -0.09 0.00 0.03 0.00 0.00 46.19 44.28 2gr1 s LEU 100 CO 0.01 0.23 0.92 -2.16 0.23 0.00 0.00 176.35 175.58 2gr1 s PRO 101 N 0.01 4.04 0.01 1.29 0.04 -1.26 -0.27 135.00 138.86 2gr1 s PRO 101 Ca -0.00 0.94 -0.02 0.00 0.04 0.00 0.00 61.00 61.96 2gr1 s PRO 101 Cb -0.13 -2.21 -0.01 0.00 0.04 0.00 0.00 34.50 32.19 2gr1 s PRO 101 CO 0.03 -0.11 0.01 1.52 0.04 0.00 0.00 177.00 178.49 2gr1 s TYR 102 N -2.37 0.16 -0.12 0.56 -0.85 -0.15 -4.79 117.35 109.78 2gr1 s TYR 102 Ca 0.59 -0.32 -0.06 0.00 -0.52 0.00 0.00 57.07 56.76 2gr1 s TYR 102 Cb -0.10 -0.12 -0.26 0.00 0.38 0.00 0.00 41.96 41.87 2gr1 s TYR 102 CO 0.23 -0.17 0.35 0.41 -1.52 0.00 0.00 175.55 174.85 2gr1 n GLY 103 N 1.89 -0.56 2.86 5.49 0.00 0.86 -4.77 105.19 110.96 2gr1 n GLY 103 Ca -0.21 -0.27 -0.21 0.00 0.00 0.00 0.00 46.02 45.33 2gr1 n GLY 103 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2gr1 s THR 104 N -2.56 0.52 -0.10 2.61 2.01 -0.90 -4.63 115.64 112.60 2gr1 s THR 104 Ca -0.22 -0.07 0.00 0.00 0.31 0.00 0.00 61.69 61.71 2gr1 s THR 104 Cb 0.07 -0.58 -0.02 0.00 0.01 0.00 0.00 72.50 71.97 2gr1 s THR 104 CO 0.76 0.24 -0.09 -0.22 -0.69 0.00 0.00 174.62 174.62 2gr1 s LEU 105 N 1.20 2.98 -0.12 4.42 2.96 -0.07 -1.60 118.68 128.45 2gr1 s LEU 105 Ca -0.07 -0.15 0.00 0.00 -0.22 0.00 0.00 54.13 53.69 2gr1 s LEU 105 Cb -0.14 -1.66 0.02 0.00 0.50 0.00 0.00 46.19 44.92 2gr1 s LEU 105 CO -0.02 0.27 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.49 2gr1 s VAL 106 N -0.28 1.28 -0.41 1.68 1.01 -0.02 -0.78 120.40 122.89 2gr1 s VAL 106 Ca 0.03 -0.46 -0.17 0.00 0.00 0.00 0.00 61.98 61.38 2gr1 s VAL 106 Cb -0.13 -1.24 0.02 0.00 0.00 0.00 0.00 36.38 35.03 2gr1 s VAL 106 CO 0.03 0.41 0.41 -0.76 0.00 0.00 0.00 175.10 175.18 2gr1 s LEU 107 N 1.49 4.82 -0.37 3.92 1.43 0.86 -0.61 118.68 130.22 2gr1 s LEU 107 Ca 0.03 -0.62 0.11 0.00 -1.03 0.00 0.00 54.13 52.62 2gr1 s LEU 107 Cb -0.13 -2.36 0.45 0.00 0.03 0.00 0.00 46.19 44.18 2gr1 s LEU 107 CO -0.08 -0.53 1.06 0.00 0.23 0.00 0.00 176.35 177.04 2gr1 n ALA 108 N 5.52 4.27 1.53 4.21 0.00 0.91 -1.65 120.51 135.30 2gr1 n ALA 108 Ca -0.08 -3.72 0.14 0.00 0.00 0.00 0.00 53.44 49.78 2gr1 n ALA 108 Cb 0.48 -0.69 0.55 0.00 0.00 0.00 0.00 19.45 19.79 2gr1 n ALA 108 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2gr1 n THR 109 N -0.36 0.02 -4.78 0.00 -2.24 -1.15 -4.32 114.28 101.45 2gr1 n THR 109 Ca 0.26 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 2gr1 n THR 109 Cb 0.76 0.37 0.00 0.00 -2.10 0.00 0.00 70.33 69.36 2gr1 n THR 109 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2gr1 n GLY 110 N 1.15 1.79 3.22 3.38 0.00 -1.26 -4.58 105.19 108.89 2gr1 n GLY 110 Ca 0.19 -0.57 -0.10 0.00 0.00 0.00 0.00 46.02 45.54 2gr1 n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gr1 s ALA 111 N -1.92 -0.41 0.07 4.61 0.00 -1.26 -0.86 121.76 121.99 2gr1 s ALA 111 Ca 0.00 -0.38 0.08 0.00 0.00 0.00 0.00 51.96 51.66 2gr1 s ALA 111 Cb 0.00 0.44 -0.03 0.00 0.00 0.00 0.00 23.12 23.53 2gr1 s ALA 111 CO 0.00 -0.48 -0.22 0.00 0.00 0.00 0.00 175.76 175.06 2gr1 s ALA 112 N -3.39 1.87 0.37 0.00 0.00 0.03 -4.85 121.76 115.79 2gr1 s ALA 112 Ca 0.01 -1.17 -0.28 0.00 0.00 0.00 0.00 51.96 50.52 2gr1 s ALA 112 Cb 0.02 -0.32 -0.11 0.00 0.00 0.00 0.00 23.12 22.71 2gr1 s ALA 112 CO -0.09 0.41 1.41 -2.30 0.00 0.00 0.00 175.76 175.19 2gr1 n PRO 113 N 1.51 2.45 -2.22 0.00 -0.02 -1.26 -0.49 135.00 134.97 2gr1 n PRO 113 Ca -0.18 0.86 -0.41 0.00 -2.02 0.00 0.00 63.50 61.75 2gr1 n PRO 113 Cb 0.53 -2.54 -0.03 0.00 -0.02 0.00 0.00 33.50 31.44 2gr1 n PRO 113 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2gr1 s ARG 114 N -2.05 4.40 0.50 -0.52 0.52 -0.28 -4.73 118.95 116.79 2gr1 s ARG 114 Ca 0.54 2.06 -0.06 0.00 -0.52 0.00 0.00 55.73 57.75 2gr1 s ARG 114 Cb -0.51 -3.18 -0.04 0.00 0.52 0.00 0.00 34.95 31.75 2gr1 s ARG 114 CO 0.63 -0.21 0.82 0.00 0.02 0.00 0.00 175.30 176.56 2gr1 s ALA 115 N -0.16 3.36 -0.45 2.13 0.00 -1.26 -4.64 121.76 120.74 2gr1 s ALA 115 Ca 0.55 -0.44 -0.17 0.00 0.00 0.00 0.00 51.96 51.90 2gr1 s ALA 115 Cb -0.37 -2.66 0.04 0.00 0.00 0.00 0.00 23.12 20.14 2gr1 s ALA 115 CO 0.40 -0.39 0.45 -1.17 0.00 0.00 0.00 175.76 175.05 2gr1 s LEU 116 N -4.77 5.15 0.42 0.00 2.96 -1.26 -4.95 118.68 116.23 2gr1 s LEU 116 Ca 0.49 -0.96 0.14 0.00 -0.22 0.00 0.00 54.13 53.58 2gr1 s LEU 116 Cb -0.10 -2.31 1.02 0.00 0.50 0.00 0.00 46.19 45.30 2gr1 s LEU 116 CO 0.46 -0.65 1.94 -0.65 -1.32 0.00 0.00 176.35 176.13 2gr1 h PRO 117 N 8.78 0.43 0.00 0.98 0.11 -1.97 0.80 132.00 141.14 2gr1 h PRO 117 Ca -0.27 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.81 2gr1 h PRO 117 Cb 1.11 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.12 2gr1 h PRO 117 CO 0.85 0.29 0.00 1.79 -0.21 0.00 0.00 178.00 180.71 2gr1 h THR 118 N 0.45 0.00 -0.48 -1.15 1.35 -1.89 -2.87 112.91 108.32 2gr1 h THR 118 Ca 0.34 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.88 2gr1 h THR 118 Cb 0.70 1.13 0.00 0.00 -1.73 0.00 0.00 68.15 68.25 2gr1 h THR 118 CO -0.11 0.00 0.00 0.18 -0.25 0.00 0.00 175.52 175.34 2gr1 n LEU 119 N -2.46 3.29 -0.32 3.87 4.77 0.26 -4.17 117.00 122.23 2gr1 n LEU 119 Ca 0.02 -1.98 0.03 0.00 -0.03 0.00 0.00 56.01 54.05 2gr1 n LEU 119 Cb 0.26 -0.32 0.22 0.00 -2.33 0.00 0.00 43.42 41.24 2gr1 n LEU 119 CO 0.22 0.82 1.26 -0.61 -1.33 0.00 0.00 177.39 177.75 2gr1 h GLN 120 N 2.85 1.06 -0.66 3.23 5.75 -1.36 -1.27 115.11 124.71 2gr1 h GLN 120 Ca 0.00 -0.06 -0.10 0.00 -0.15 0.00 0.00 58.65 58.33 2gr1 h GLN 120 Cb 0.82 -0.24 -0.06 0.00 1.07 0.00 0.00 27.48 29.07 2gr1 h GLN 120 CO 0.00 0.70 0.13 0.41 -2.65 0.00 0.00 178.83 177.42 2gr1 n GLY 121 N -1.39 3.33 3.75 2.39 0.00 -1.26 -5.01 105.19 107.01 2gr1 n GLY 121 Ca 0.14 -0.97 -0.35 0.00 0.00 0.00 0.00 46.02 44.84 2gr1 n GLY 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gr1 s ALA 122 N -2.89 2.50 -0.12 4.61 0.00 -0.48 -4.98 121.76 120.41 2gr1 s ALA 122 Ca 0.55 0.92 0.13 0.00 0.00 0.00 0.00 51.96 53.56 2gr1 s ALA 122 Cb 0.43 -3.43 -0.19 0.00 0.00 0.00 0.00 23.12 19.93 2gr1 s ALA 122 CO 0.15 -1.21 0.11 0.25 0.00 0.00 0.00 175.76 175.05 2gr1 n THR 123 N -1.78 0.80 -1.47 0.00 -2.24 -1.26 -4.99 114.28 103.34 2gr1 n THR 123 Ca 0.13 -0.57 -0.31 0.00 -2.27 0.00 0.00 64.05 61.03 2gr1 n THR 123 Cb 0.50 -0.47 0.06 0.00 -2.10 0.00 0.00 70.33 68.33 2gr1 n THR 123 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2gr1 s MET 124 N -2.49 2.71 0.06 -0.78 0.00 -1.26 -4.97 119.30 112.56 2gr1 s MET 124 Ca -0.07 1.02 -0.31 0.00 0.00 0.00 0.00 55.69 56.33 2gr1 s MET 124 Cb 0.05 -1.96 -0.08 0.00 0.00 0.00 0.00 34.83 32.85 2gr1 s MET 124 CO 0.61 -1.28 1.60 -2.14 0.00 0.00 0.00 175.02 173.80 2gr1 s PRO 125 N -5.00 4.21 -0.09 3.16 0.02 -1.26 -4.96 135.00 131.08 2gr1 s PRO 125 Ca 0.59 2.26 -0.00 0.00 0.02 0.00 0.00 61.00 63.86 2gr1 s PRO 125 Cb -0.15 -3.58 0.02 0.00 0.02 0.00 0.00 34.50 30.81 2gr1 s PRO 125 CO 0.55 -0.70 -0.05 0.08 -0.33 0.00 0.00 177.00 176.55 2gr1 s VAL 126 N 2.56 0.77 0.18 3.83 1.01 -1.26 -1.45 120.40 126.04 2gr1 s VAL 126 Ca 0.72 -0.15 0.07 0.00 0.00 0.00 0.00 61.98 62.62 2gr1 s VAL 126 Cb -0.38 -0.83 -0.05 0.00 0.00 0.00 0.00 36.38 35.13 2gr1 s VAL 126 CO 0.31 0.32 -0.13 -1.00 0.00 0.00 0.00 175.10 174.59 2gr1 s HIS 127 N 1.65 1.57 0.44 5.22 3.76 0.22 -5.00 115.29 123.15 2gr1 s HIS 127 Ca 0.02 -0.62 0.07 0.00 -0.15 0.00 0.00 55.06 54.39 2gr1 s HIS 127 Cb -0.13 -0.75 -0.01 0.00 1.11 0.00 0.00 32.58 32.80 2gr1 s HIS 127 CO -0.06 0.27 0.38 0.95 -0.85 0.00 0.00 174.74 175.43 2gr1 s THR 128 N -2.97 2.50 -0.37 1.30 -4.23 -1.26 -0.07 115.64 110.54 2gr1 s THR 128 Ca 0.20 -1.38 0.01 0.00 -1.18 0.00 0.00 61.69 59.34 2gr1 s THR 128 Cb -0.00 -2.88 0.12 0.00 1.34 0.00 0.00 72.50 71.08 2gr1 s THR 128 CO 0.05 0.00 0.15 -0.22 -0.54 0.00 0.00 174.62 174.06 2gr1 s LEU 129 N -4.15 2.81 0.00 4.79 2.96 -1.26 -4.77 118.68 119.06 2gr1 s LEU 129 Ca 0.46 -2.14 0.00 0.00 -0.22 0.00 0.00 54.13 52.23 2gr1 s LEU 129 Cb -0.02 -1.05 0.00 0.00 0.50 0.00 0.00 46.19 45.61 2gr1 s LEU 129 CO 0.27 -0.35 0.00 -1.14 -1.32 0.00 0.00 176.35 173.81 2gr1 n ARG 130 N 4.20 0.19 -4.20 1.98 3.00 -1.26 -5.02 116.66 115.54 2gr1 n ARG 130 Ca 0.03 0.00 -0.24 0.00 -0.00 0.00 0.00 57.85 57.64 2gr1 n ARG 130 Cb 0.39 -0.62 -0.08 0.00 0.00 0.00 0.00 32.46 32.15 2gr1 n ARG 130 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 2gr1 s THR 131 N -1.25 2.60 0.22 5.15 -4.23 -1.26 -4.95 115.64 111.91 2gr1 s THR 131 Ca 0.00 -1.80 -0.08 0.00 -1.18 0.00 0.00 61.69 58.63 2gr1 s THR 131 Cb 0.00 -2.92 0.17 0.00 1.34 0.00 0.00 72.50 71.08 2gr1 s THR 131 CO 0.00 -0.12 1.85 0.25 -0.54 0.00 0.00 174.62 176.06 2gr1 h LEU 132 N 1.60 0.74 -0.48 4.79 5.85 -1.98 -0.15 115.31 125.67 2gr1 h LEU 132 Ca -0.43 0.01 0.08 0.00 0.84 0.00 0.00 57.88 58.38 2gr1 h LEU 132 Cb 1.25 -0.15 -0.07 0.00 0.37 0.00 0.00 40.66 42.06 2gr1 h LEU 132 CO 0.67 0.50 0.08 -0.08 -0.34 0.00 0.00 178.44 179.28 2gr1 h GLU 133 N 0.88 0.21 -0.18 1.25 4.81 -1.99 0.49 114.58 120.05 2gr1 h GLU 133 Ca 0.31 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.56 2gr1 h GLU 133 Cb 0.08 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.39 2gr1 h GLU 133 CO -0.14 0.14 -0.01 -0.44 -0.73 0.00 0.00 179.01 177.83 2gr1 h ASP 134 N 0.22 -0.10 -0.45 1.04 3.45 -1.72 -1.94 116.42 116.92 2gr1 h ASP 134 Ca 0.24 0.04 -0.06 0.00 0.43 0.00 0.00 57.03 57.68 2gr1 h ASP 134 Cb 0.32 0.08 -0.02 0.00 -0.56 0.00 0.00 39.33 39.16 2gr1 h ASP 134 CO -0.33 -0.02 0.04 0.00 -1.57 0.00 0.00 179.24 177.36 2gr1 h ALA 135 N 1.16 0.60 -0.96 3.45 0.00 -0.43 -0.76 119.26 122.31 2gr1 h ALA 135 Ca 0.08 -0.25 0.04 0.00 0.00 0.00 0.00 54.91 54.79 2gr1 h ALA 135 Cb 0.11 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.67 2gr1 h ALA 135 CO -0.15 0.36 0.63 0.00 0.00 0.00 0.00 179.25 180.08 2gr1 h ARG 136 N 0.62 1.16 -0.41 0.00 3.08 -0.86 -0.30 114.38 117.67 2gr1 h ARG 136 Ca 0.13 -0.07 -0.12 0.00 0.07 0.00 0.00 59.98 60.00 2gr1 h ARG 136 Cb 0.43 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 2gr1 h ARG 136 CO 0.01 0.76 -0.20 -0.09 -1.07 0.00 0.00 179.97 179.39 2gr1 h ARG 137 N 1.19 0.86 -0.16 0.04 2.43 -0.88 -1.80 114.38 116.08 2gr1 h ARG 137 Ca 0.39 -0.38 -0.02 0.00 -0.81 0.00 0.00 59.98 59.17 2gr1 h ARG 137 Cb 0.05 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 2gr1 h ARG 137 CO -0.14 1.02 0.03 0.82 -1.51 0.00 0.00 179.97 180.19 2gr1 h ILE 138 N 0.68 1.22 -0.40 1.20 2.04 -0.93 -3.19 117.51 118.12 2gr1 h ILE 138 Ca 0.09 -0.69 0.07 0.00 1.00 0.00 0.00 64.86 65.33 2gr1 h ILE 138 Cb 0.76 1.38 -0.06 0.00 -0.74 0.00 0.00 36.82 38.16 2gr1 h ILE 138 CO 0.06 0.21 0.02 -0.61 0.00 0.00 0.00 178.15 177.83 2gr1 h GLN 139 N 0.04 0.13 0.00 2.37 -0.00 -0.98 -0.53 115.11 116.15 2gr1 h GLN 139 Ca 0.05 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.69 2gr1 h GLN 139 Cb 0.29 -0.03 0.00 0.00 0.00 0.00 0.00 27.48 27.74 2gr1 h GLN 139 CO 0.00 0.09 0.24 0.00 0.00 0.00 0.00 178.83 179.15 2gr1 h ALA 140 N 1.34 1.19 -0.06 3.38 0.00 -1.31 -0.01 119.26 123.78 2gr1 h ALA 140 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2gr1 h ALA 140 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2gr1 h ALA 140 CO -0.31 -0.19 0.00 0.41 0.00 0.00 0.00 179.25 179.16 2gr1 n GLY 141 N -1.25 0.14 2.22 0.00 0.00 -0.25 -4.82 105.19 101.21 2gr1 n GLY 141 Ca -0.01 -0.24 -0.27 0.00 0.00 0.00 0.00 46.02 45.50 2gr1 n GLY 141 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2gr1 n LEU 142 N 0.40 7.01 -4.77 0.99 4.77 -0.02 -4.95 117.00 120.42 2gr1 n LEU 142 Ca 0.05 -3.89 -0.41 0.00 -0.03 0.00 0.00 56.01 51.73 2gr1 n LEU 142 Cb 0.24 -1.45 -0.03 0.00 -2.33 0.00 0.00 43.42 39.85 2gr1 n LEU 142 CO 0.05 1.89 0.92 -0.60 -1.33 0.00 0.00 177.39 178.32 2gr1 s ARG 143 N 0.97 4.44 0.29 3.23 3.52 -1.26 -4.90 118.95 125.24 2gr1 s ARG 143 Ca 0.66 2.09 -0.29 0.00 -0.13 0.00 0.00 55.73 58.06 2gr1 s ARG 143 Cb 0.26 -3.11 -0.13 0.00 -1.56 0.00 0.00 34.95 30.41 2gr1 s ARG 143 CO -0.05 -0.07 1.22 -2.30 -0.81 0.00 0.00 175.30 173.29 2gr1 n PRO 144 N 0.94 1.80 -0.72 5.12 -0.02 -1.26 -1.47 135.00 139.39 2gr1 n PRO 144 Ca -0.00 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 2gr1 n PRO 144 Cb 0.43 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 2gr1 n PRO 144 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2gr1 n GLN 145 N 1.03 0.00 -1.17 -0.52 3.00 0.09 -4.95 117.38 114.87 2gr1 n GLN 145 Ca 0.09 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.78 2gr1 n GLN 145 Cb 0.33 -3.54 0.15 0.00 0.00 0.00 0.00 30.24 27.18 2gr1 n GLN 145 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.06 175.52 2gr1 s SER 146 N -2.48 3.21 -0.24 1.08 1.04 -0.54 -4.72 113.70 111.04 2gr1 s SER 146 Ca 0.00 1.43 -0.02 0.00 0.48 0.00 0.00 55.95 57.84 2gr1 s SER 146 Cb 0.00 -2.11 0.02 0.00 0.10 0.00 0.00 66.02 64.03 2gr1 s SER 146 CO 0.00 -2.80 -0.06 -0.13 0.98 0.00 0.00 173.24 171.23 2gr1 s ARG 147 N -4.92 2.91 -0.16 4.02 0.52 -1.26 -1.57 118.95 118.48 2gr1 s ARG 147 Ca 0.64 -0.93 -0.06 0.00 -0.52 0.00 0.00 55.73 54.86 2gr1 s ARG 147 Cb -0.18 -2.99 -0.04 0.00 0.52 0.00 0.00 34.95 32.26 2gr1 s ARG 147 CO 0.57 -0.37 0.05 -1.17 0.02 0.00 0.00 175.30 174.40 2gr1 s LEU 148 N 1.35 3.76 -0.21 2.53 2.96 -0.02 0.14 118.68 129.18 2gr1 s LEU 148 Ca 0.01 0.09 -0.05 0.00 -0.22 0.00 0.00 54.13 53.96 2gr1 s LEU 148 Cb -0.16 -1.93 -0.02 0.00 0.50 0.00 0.00 46.19 44.57 2gr1 s LEU 148 CO -0.04 0.22 0.01 -0.22 -1.32 0.00 0.00 176.35 174.99 2gr1 s LEU 149 N 0.09 3.28 -0.20 -0.68 2.96 -0.26 -0.82 118.68 123.06 2gr1 s LEU 149 Ca 0.04 -0.20 -0.08 0.00 -0.22 0.00 0.00 54.13 53.67 2gr1 s LEU 149 Cb -0.12 -1.84 -0.04 0.00 0.50 0.00 0.00 46.19 44.69 2gr1 s LEU 149 CO 0.01 0.05 0.09 -0.63 -1.32 0.00 0.00 176.35 174.55 2gr1 s ILE 150 N 1.06 4.97 -0.35 6.68 1.01 0.23 -1.06 121.20 133.74 2gr1 s ILE 150 Ca 0.02 0.03 -0.12 0.00 0.00 0.00 0.00 60.65 60.59 2gr1 s ILE 150 Cb -0.14 -3.26 -0.00 0.00 0.01 0.00 0.00 42.46 39.06 2gr1 s ILE 150 CO 0.02 0.44 0.21 -0.69 0.00 0.00 0.00 174.94 174.92 2gr1 s VAL 151 N 0.51 4.92 0.00 2.92 1.01 -0.26 -1.21 120.40 128.29 2gr1 s VAL 151 Ca 0.05 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 61.56 2gr1 s VAL 151 Cb -0.12 -3.59 0.00 0.00 0.00 0.00 0.00 36.38 32.67 2gr1 s VAL 151 CO 0.00 -0.07 0.00 0.61 0.00 0.00 0.00 175.10 175.65 2gr1 n GLY 152 N 5.05 3.20 1.80 4.51 0.00 0.41 -0.34 105.19 119.82 2gr1 n GLY 152 Ca -0.13 -1.33 -0.19 0.00 0.00 0.00 0.00 46.02 44.37 2gr1 n GLY 152 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gr1 n GLY 153 N 1.02 5.29 3.93 -0.02 0.00 -1.26 -4.60 105.19 109.55 2gr1 n GLY 153 Ca 0.00 -1.68 -0.30 0.00 0.00 0.00 0.00 46.02 44.04 2gr1 n GLY 153 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2gr1 s GLY 154 N -2.29 1.79 0.27 -0.02 0.00 -1.26 -0.56 107.32 105.24 2gr1 s GLY 154 Ca 0.53 -1.22 -0.05 0.00 0.00 0.00 0.00 44.72 43.98 2gr1 s GLY 154 CO 0.03 -0.44 1.94 -0.39 0.00 0.00 0.00 173.10 174.24 2gr1 h VAL 155 N -1.69 1.24 -0.20 1.40 -1.51 -1.95 -1.89 116.25 111.66 2gr1 h VAL 155 Ca -0.44 -0.45 -0.01 0.00 -1.23 0.00 0.00 66.70 64.56 2gr1 h VAL 155 Cb 1.23 -0.13 -0.01 0.00 -2.13 0.00 0.00 31.29 30.25 2gr1 h VAL 155 CO 0.37 0.24 0.08 0.40 -1.23 0.00 0.00 177.57 177.43 2gr1 h ILE 156 N 1.28 1.16 -0.75 7.19 2.04 -1.94 0.76 117.51 127.25 2gr1 h ILE 156 Ca 0.34 -0.48 0.06 0.00 1.00 0.00 0.00 64.86 65.78 2gr1 h ILE 156 Cb -0.14 1.10 -0.06 0.00 -0.74 0.00 0.00 36.82 36.99 2gr1 h ILE 156 CO -0.07 0.15 0.45 1.23 0.00 0.00 0.00 178.15 179.91 2gr1 h GLY 157 N 0.17 1.12 1.63 5.37 0.00 -1.75 -0.48 103.07 109.13 2gr1 h GLY 157 Ca 0.07 -0.32 -0.17 0.00 0.00 0.00 0.00 47.33 46.91 2gr1 h GLY 157 CO -0.01 0.22 -0.65 1.41 0.00 0.00 0.00 176.54 177.51 2gr1 h LEU 158 N 0.83 0.43 -0.29 3.11 3.38 -1.08 0.25 115.31 121.95 2gr1 h LEU 158 Ca 0.33 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 2gr1 h LEU 158 Cb 0.16 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 2gr1 h LEU 158 CO -0.17 0.96 0.10 -0.33 0.09 0.00 0.00 178.44 179.10 2gr1 h GLU 159 N 0.27 0.44 -0.51 1.13 5.08 -0.49 -2.12 114.58 118.37 2gr1 h GLU 159 Ca -0.01 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 2gr1 h GLU 159 Cb 1.19 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.35 2gr1 h GLU 159 CO 0.11 0.47 0.26 1.25 -1.00 0.00 0.00 179.01 180.11 2gr1 h LEU 160 N 0.31 0.65 -0.61 1.33 5.85 -0.87 -2.32 115.31 119.66 2gr1 h LEU 160 Ca 0.09 -0.11 0.12 0.00 0.84 0.00 0.00 57.88 58.83 2gr1 h LEU 160 Cb 0.21 -0.17 -0.10 0.00 0.37 0.00 0.00 40.66 40.98 2gr1 h LEU 160 CO -0.01 0.58 0.07 0.00 -0.34 0.00 0.00 178.44 178.74 2gr1 h ALA 161 N 1.10 0.67 -0.16 1.25 0.00 -0.32 0.14 119.26 121.95 2gr1 h ALA 161 Ca 0.18 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 2gr1 h ALA 161 Cb 0.09 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2gr1 h ALA 161 CO -0.03 -0.36 0.07 0.00 0.00 0.00 0.00 179.25 178.94 2gr1 h ALA 162 N 1.53 0.20 -0.41 0.00 0.00 -1.14 -1.46 119.26 117.98 2gr1 h ALA 162 Ca 0.32 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2gr1 h ALA 162 Cb 0.51 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2gr1 h ALA 162 CO -0.47 -0.22 0.27 1.15 0.00 0.00 0.00 179.25 179.98 2gr1 h THR 163 N 0.11 1.11 -0.46 0.00 2.02 -0.89 -1.18 112.91 113.62 2gr1 h THR 163 Ca 0.05 -0.21 0.02 0.00 0.77 0.00 0.00 66.41 67.05 2gr1 h THR 163 Cb 0.15 0.51 -0.03 0.00 -1.74 0.00 0.00 68.15 67.03 2gr1 h THR 163 CO -0.01 0.11 0.27 0.00 0.37 0.00 0.00 175.52 176.26 2gr1 h ALA 164 N 1.15 0.58 -0.56 6.16 0.00 -0.64 -1.62 119.26 124.33 2gr1 h ALA 164 Ca 0.15 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 2gr1 h ALA 164 Cb -0.06 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 2gr1 h ALA 164 CO -0.03 -0.04 0.32 0.00 0.00 0.00 0.00 179.25 179.49 2gr1 h ARG 165 N 0.54 0.77 -0.95 0.00 2.47 -0.93 -0.64 114.38 115.65 2gr1 h ARG 165 Ca 0.18 -0.08 0.06 0.00 -1.26 0.00 0.00 59.98 58.88 2gr1 h ARG 165 Cb 0.02 -0.15 -0.06 0.00 -1.65 0.00 0.00 29.97 28.12 2gr1 h ARG 165 CO -0.09 0.58 0.61 1.15 0.56 0.00 0.00 179.97 182.78 2gr1 h THR 166 N 0.75 1.08 0.00 2.04 2.02 -0.99 -0.62 112.91 117.18 2gr1 h THR 166 Ca 0.20 -0.38 0.00 0.00 0.77 0.00 0.00 66.41 67.00 2gr1 h THR 166 Cb 0.02 -0.13 0.00 0.00 -1.74 0.00 0.00 68.15 66.31 2gr1 h THR 166 CO -0.03 0.20 0.00 0.00 0.37 0.00 0.00 175.52 176.06 2gr1 n ALA 167 N -2.36 2.18 -1.01 6.16 0.00 -0.63 -4.88 120.51 119.97 2gr1 n ALA 167 Ca 0.14 -0.11 -0.00 0.00 0.00 0.00 0.00 53.44 53.46 2gr1 n ALA 167 Cb 0.17 -1.30 -0.00 0.00 0.00 0.00 0.00 19.45 18.32 2gr1 n ALA 167 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gr1 n GLY 168 N 0.18 0.40 3.79 0.00 0.00 -0.24 -4.39 105.19 104.93 2gr1 n GLY 168 Ca 0.14 -1.05 -0.39 0.00 0.00 0.00 0.00 46.02 44.72 2gr1 n GLY 168 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2gr1 s VAL 169 N -2.01 4.80 0.15 1.61 1.01 -0.31 -0.73 120.40 124.93 2gr1 s VAL 169 Ca 0.00 1.24 -0.30 0.00 0.00 0.00 0.00 61.98 62.92 2gr1 s VAL 169 Cb 0.00 -3.92 -0.07 0.00 0.00 0.00 0.00 36.38 32.39 2gr1 s VAL 169 CO 0.00 0.50 1.07 -1.00 0.00 0.00 0.00 175.10 175.67 2gr1 s HIS 170 N -0.74 3.65 -0.11 5.22 0.09 -0.61 -3.99 115.29 118.80 2gr1 s HIS 170 Ca 0.30 1.64 0.00 0.00 -0.00 0.00 0.00 55.06 57.00 2gr1 s HIS 170 Cb -0.19 -3.22 0.02 0.00 -0.00 0.00 0.00 32.58 29.19 2gr1 s HIS 170 CO 0.18 -0.42 -0.10 0.08 -0.00 0.00 0.00 174.74 174.48 2gr1 s VAL 171 N -0.11 1.19 0.05 -0.90 1.01 -1.26 -0.84 120.40 119.54 2gr1 s VAL 171 Ca 0.49 -0.42 0.04 0.00 0.00 0.00 0.00 61.98 62.09 2gr1 s VAL 171 Cb -0.28 -1.15 -0.04 0.00 0.00 0.00 0.00 36.38 34.91 2gr1 s VAL 171 CO 0.33 0.39 -0.05 -0.44 0.00 0.00 0.00 175.10 175.34 2gr1 s SER 172 N 1.39 4.76 -0.02 3.32 0.01 0.00 -0.71 113.70 122.45 2gr1 s SER 172 Ca -0.00 -0.20 -0.00 0.00 1.31 0.00 0.00 55.95 57.06 2gr1 s SER 172 Cb -0.13 -1.09 0.03 0.00 0.21 0.00 0.00 66.02 65.03 2gr1 s SER 172 CO -0.06 0.22 0.03 -0.22 0.41 0.00 0.00 173.24 173.62 2gr1 s LEU 173 N -1.91 1.00 -0.16 2.44 0.20 0.30 -0.60 118.68 119.95 2gr1 s LEU 173 Ca 0.21 0.03 -0.02 0.00 0.69 0.00 0.00 54.13 55.04 2gr1 s LEU 173 Cb -0.11 -0.11 -0.02 0.00 -0.43 0.00 0.00 46.19 45.52 2gr1 s LEU 173 CO 0.13 -0.14 -0.07 -0.69 -0.29 0.00 0.00 176.35 175.29 2gr1 s VAL 174 N 1.17 3.49 -0.07 1.68 1.01 -0.35 0.05 120.40 127.38 2gr1 s VAL 174 Ca -0.08 -0.49 0.01 0.00 0.00 0.00 0.00 61.98 61.42 2gr1 s VAL 174 Cb -0.13 -2.52 0.02 0.00 0.00 0.00 0.00 36.38 33.75 2gr1 s VAL 174 CO -0.03 0.49 -0.09 -0.70 0.00 0.00 0.00 175.10 174.77 2gr1 s GLU 175 N 0.60 1.42 0.36 2.72 2.56 0.20 -0.45 118.70 126.11 2gr1 s GLU 175 Ca -0.04 -0.29 0.14 0.00 0.00 0.00 0.00 54.97 54.77 2gr1 s GLU 175 Cb -0.15 -1.28 0.69 0.00 2.00 0.00 0.00 34.13 35.40 2gr1 s GLU 175 CO 0.03 -0.06 1.79 1.79 -0.56 0.00 0.00 175.26 178.25 2gr1 h THR 176 N 6.06 1.21 -3.51 -1.70 1.35 -1.80 0.11 112.91 114.63 2gr1 h THR 176 Ca -0.32 -1.42 -0.47 0.00 -0.55 0.00 0.00 66.41 63.65 2gr1 h THR 176 Cb 1.17 1.78 0.06 0.00 -1.73 0.00 0.00 68.15 69.42 2gr1 h THR 176 CO 0.46 0.40 0.15 -1.10 -0.25 0.00 0.00 175.52 175.17 2gr1 s GLN 177 N -4.02 2.79 0.00 4.72 -1.52 -1.26 -3.73 119.66 116.64 2gr1 s GLN 177 Ca -0.02 -0.14 0.26 0.00 -1.95 0.00 0.00 55.36 53.51 2gr1 s GLN 177 Cb 0.14 -2.29 1.41 0.00 -0.22 0.00 0.00 33.01 32.04 2gr1 s GLN 177 CO 0.72 -0.75 1.90 -0.35 -0.25 0.00 0.00 175.29 176.56 2gr1 n PRO 178 N -2.58 0.54 -4.08 2.91 -0.05 -1.26 -2.05 135.00 128.43 2gr1 n PRO 178 Ca 0.05 0.03 -0.08 0.00 -0.05 0.00 0.00 63.50 63.45 2gr1 n PRO 178 Cb 0.58 -1.50 -0.10 0.00 -0.05 0.00 0.00 33.50 32.43 2gr1 n PRO 178 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 175.50 174.47 2gr1 s ARG 179 N -2.36 0.68 0.64 0.54 1.70 -1.26 -4.86 118.95 114.04 2gr1 s ARG 179 Ca 0.30 -1.23 -0.10 0.00 -0.47 0.00 0.00 55.73 54.23 2gr1 s ARG 179 Cb 0.18 0.23 -0.01 0.00 -0.57 0.00 0.00 34.95 34.77 2gr1 s ARG 179 CO 0.36 -0.15 1.03 -0.51 -1.08 0.00 0.00 175.30 174.96 2gr1 s LEU 180 N -2.93 3.12 -1.51 -1.89 1.43 -1.26 -4.39 118.68 111.24 2gr1 s LEU 180 Ca 0.09 1.20 -0.05 0.00 -1.03 0.00 0.00 54.13 54.35 2gr1 s LEU 180 Cb 0.08 -4.12 0.04 0.00 0.03 0.00 0.00 46.19 42.22 2gr1 s LEU 180 CO -0.08 -1.07 0.45 0.23 0.23 0.00 0.00 176.35 176.11 2gr1 n MET 181 N -2.81 -2.89 0.27 1.70 2.81 0.28 -4.76 117.12 111.72 2gr1 n MET 181 Ca 0.06 0.35 0.16 0.00 -1.81 0.00 0.00 57.70 56.45 2gr1 n MET 181 Cb 0.56 -4.53 0.73 0.00 -0.71 0.00 0.00 33.22 29.26 2gr1 n MET 181 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 2gr1 h SER 182 N -1.74 0.00 0.66 7.83 4.64 -1.84 -3.18 113.55 119.92 2gr1 h SER 182 Ca -0.62 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.66 2gr1 h SER 182 Cb 1.38 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.48 2gr1 h SER 182 CO 0.68 0.07 -0.32 0.03 -0.87 0.00 0.00 176.83 176.42 2gr1 h ARG 183 N 0.00 -0.86 -1.01 4.77 -0.00 -1.96 -3.41 114.38 111.91 2gr1 h ARG 183 Ca -0.00 0.06 -0.36 0.00 -0.50 0.00 0.00 59.98 59.18 2gr1 h ARG 183 Cb 0.45 0.20 -0.28 0.00 0.00 0.00 0.00 29.97 30.34 2gr1 h ARG 183 CO 0.01 -0.54 -0.82 0.00 0.00 0.00 0.00 179.97 178.62 2gr1 n ALA 184 N -2.56 0.61 -3.07 0.04 0.00 -1.25 -5.03 120.51 109.25 2gr1 n ALA 184 Ca -0.13 -2.44 -0.16 0.00 0.00 0.00 0.00 53.44 50.71 2gr1 n ALA 184 Cb 0.37 -1.05 -0.15 0.00 0.00 0.00 0.00 19.45 18.63 2gr1 n ALA 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gr1 s ALA 185 N -1.05 0.40 0.51 0.00 0.00 -1.20 -4.87 121.76 115.55 2gr1 s ALA 185 Ca 0.31 -0.10 -0.22 0.00 0.00 0.00 0.00 51.96 51.95 2gr1 s ALA 185 Cb 0.31 -0.18 -0.07 0.00 0.00 0.00 0.00 23.12 23.19 2gr1 s ALA 185 CO -0.07 0.05 1.25 -2.30 0.00 0.00 0.00 175.76 174.68 2gr1 n PRO 186 N 3.33 1.62 -0.25 0.00 -0.02 -1.26 -4.77 135.00 133.65 2gr1 n PRO 186 Ca -0.17 0.59 0.05 0.00 -2.02 0.00 0.00 63.50 61.95 2gr1 n PRO 186 Cb 0.56 -2.42 0.18 0.00 -0.02 0.00 0.00 33.50 31.80 2gr1 n PRO 186 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2gr1 h ALA 187 N 1.49 1.03 -0.66 3.55 0.00 -1.97 -0.30 119.26 122.41 2gr1 h ALA 187 Ca -0.49 0.11 0.04 0.00 0.00 0.00 0.00 54.91 54.57 2gr1 h ALA 187 Cb 1.31 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 19.14 2gr1 h ALA 187 CO 0.57 -0.21 0.39 1.15 0.00 0.00 0.00 179.25 181.15 2gr1 h THR 188 N 0.44 1.02 0.06 0.00 2.02 -1.95 0.12 112.91 114.63 2gr1 h THR 188 Ca 0.40 -0.25 -0.00 0.00 0.77 0.00 0.00 66.41 67.33 2gr1 h THR 188 Cb 0.60 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 67.24 2gr1 h THR 188 CO -0.39 0.13 -0.03 0.25 0.37 0.00 0.00 175.52 175.85 2gr1 h LEU 189 N 0.73 -0.07 -1.06 2.58 5.85 -1.64 -2.41 115.31 119.30 2gr1 h LEU 189 Ca 0.28 -0.16 0.02 0.00 0.84 0.00 0.00 57.88 58.86 2gr1 h LEU 189 Cb 0.11 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.10 2gr1 h LEU 189 CO -0.14 0.12 0.63 0.00 -0.34 0.00 0.00 178.44 178.71 2gr1 h ALA 190 N 0.67 1.34 -0.31 1.25 0.00 -0.37 0.55 119.26 122.40 2gr1 h ALA 190 Ca -0.01 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 2gr1 h ALA 190 Cb 0.22 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2gr1 h ALA 190 CO 0.01 0.59 0.13 -0.44 0.00 0.00 0.00 179.25 179.54 2gr1 h ASP 191 N 1.26 0.43 -0.30 0.00 3.45 -0.78 -1.95 116.42 118.54 2gr1 h ASP 191 Ca 0.37 -0.16 -0.01 0.00 0.43 0.00 0.00 57.03 57.65 2gr1 h ASP 191 Cb -0.08 -0.11 -0.01 0.00 -0.56 0.00 0.00 39.33 38.57 2gr1 h ASP 191 CO -0.10 0.47 0.14 0.15 -1.57 0.00 0.00 179.24 178.34 2gr1 h PHE 192 N 0.36 0.44 -0.99 4.55 3.57 -0.87 -2.22 116.94 121.78 2gr1 h PHE 192 Ca 0.11 -0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.65 2gr1 h PHE 192 Cb 0.17 -0.14 -0.07 0.00 2.79 0.00 0.00 35.95 38.71 2gr1 h PHE 192 CO -0.01 0.39 0.63 0.28 -2.23 0.00 0.00 178.31 177.38 2gr1 h VAL 193 N 0.35 1.06 -0.48 1.41 2.07 -0.78 -0.16 116.25 119.72 2gr1 h VAL 193 Ca 0.10 -0.39 -0.02 0.00 0.82 0.00 0.00 66.70 67.22 2gr1 h VAL 193 Cb 0.12 -0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 29.70 2gr1 h VAL 193 CO -0.01 0.21 0.23 0.00 0.02 0.00 0.00 177.57 178.02 2gr1 h ALA 194 N 1.46 0.62 -0.70 1.67 0.00 -1.14 -1.52 119.26 119.64 2gr1 h ALA 194 Ca 0.43 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.23 2gr1 h ALA 194 Cb 0.20 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 2gr1 h ALA 194 CO -0.18 0.18 0.45 0.00 0.00 0.00 0.00 179.25 179.70 2gr1 h ARG 195 N 0.63 0.94 0.45 0.00 3.08 -0.68 -1.16 114.38 117.64 2gr1 h ARG 195 Ca 0.17 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.13 2gr1 h ARG 195 Cb 0.12 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 29.96 2gr1 h ARG 195 CO -0.02 0.64 -0.26 -0.92 -1.07 0.00 0.00 179.97 178.33 2gr1 h TYR 196 N 0.96 -0.69 -0.87 3.04 3.20 -0.88 -1.68 116.97 120.04 2gr1 h TYR 196 Ca 0.26 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.09 2gr1 h TYR 196 Cb -0.08 0.24 -0.04 0.00 1.54 0.00 0.00 36.73 38.39 2gr1 h TYR 196 CO -0.02 -0.41 0.44 0.45 -1.64 0.00 0.00 178.16 176.98 2gr1 h HIS 197 N -0.68 1.23 -0.96 -3.82 3.86 -1.18 -2.09 115.15 111.51 2gr1 h HIS 197 Ca -0.05 -0.05 0.06 0.00 -1.16 0.00 0.00 60.37 59.17 2gr1 h HIS 197 Cb 0.55 -0.39 -0.06 0.00 1.06 0.00 0.00 27.41 28.57 2gr1 h HIS 197 CO -0.08 0.88 0.62 0.00 0.86 0.00 0.00 177.93 180.20 2gr1 h ALA 198 N 1.25 1.32 0.00 2.45 0.00 -1.16 -1.28 119.26 121.84 2gr1 h ALA 198 Ca 0.30 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.16 2gr1 h ALA 198 Cb 0.09 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 2gr1 h ALA 198 CO -0.04 0.42 -0.13 0.00 0.00 0.00 0.00 179.25 179.50 2gr1 h ALA 199 N 1.43 1.03 -0.21 0.00 0.00 -0.66 -2.41 119.26 118.44 2gr1 h ALA 199 Ca 0.41 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.20 2gr1 h ALA 199 Cb 0.13 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2gr1 h ALA 199 CO -0.16 0.17 0.00 1.04 0.00 0.00 0.00 179.25 180.30 2gr1 n GLN 200 N -3.30 1.90 -0.01 0.00 1.13 -0.59 -4.93 117.38 111.57 2gr1 n GLN 200 Ca 0.00 -1.35 0.00 0.00 -1.94 0.00 0.00 57.00 53.71 2gr1 n GLN 200 Cb 0.37 -1.42 0.00 0.00 0.11 0.00 0.00 30.24 29.30 2gr1 n GLN 200 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2gr1 n GLY 201 N 1.21 0.71 3.70 1.08 0.00 -0.91 -5.00 105.19 105.99 2gr1 n GLY 201 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 2gr1 n GLY 201 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2gr1 s VAL 202 N -2.01 3.66 -0.75 1.61 1.01 -0.59 -4.60 120.40 118.74 2gr1 s VAL 202 Ca 0.00 1.14 -0.22 0.00 0.00 0.00 0.00 61.98 62.90 2gr1 s VAL 202 Cb 0.00 -3.73 0.08 0.00 0.00 0.00 0.00 36.38 32.73 2gr1 s VAL 202 CO 0.00 0.05 1.04 -0.62 0.00 0.00 0.00 175.10 175.57 2gr1 s ASP 203 N 1.37 6.30 -0.10 3.32 3.68 0.12 -4.30 116.67 127.06 2gr1 s ASP 203 Ca 0.63 -1.25 -0.22 0.00 2.13 0.00 0.00 52.55 53.83 2gr1 s ASP 203 Cb -0.33 -2.43 -0.03 0.00 -1.45 0.00 0.00 42.92 38.68 2gr1 s ASP 203 CO 0.28 -1.37 0.65 -0.76 0.13 0.00 0.00 175.17 174.11 2gr1 s LEU 204 N 3.83 4.27 -0.29 -1.34 1.43 -1.26 -0.54 118.68 124.78 2gr1 s LEU 204 Ca 0.26 1.06 0.02 0.00 -1.03 0.00 0.00 54.13 54.43 2gr1 s LEU 204 Cb -0.13 -2.98 0.07 0.00 0.03 0.00 0.00 46.19 43.18 2gr1 s LEU 204 CO 0.04 -0.13 -0.04 -0.13 0.23 0.00 0.00 176.35 176.32 2gr1 s ARG 205 N 1.01 2.16 0.18 1.70 1.81 0.11 -4.96 118.95 120.96 2gr1 s ARG 205 Ca 0.34 -1.43 -0.02 0.00 -1.72 0.00 0.00 55.73 52.90 2gr1 s ARG 205 Cb -0.17 -3.05 -0.05 0.00 -0.45 0.00 0.00 34.95 31.23 2gr1 s ARG 205 CO 0.15 -0.67 0.39 -0.06 -0.68 0.00 0.00 175.30 174.43 2gr1 s PHE 206 N 1.11 3.48 -1.54 -0.53 0.40 -1.26 -0.63 117.98 119.02 2gr1 s PHE 206 Ca -0.04 0.41 -0.14 0.00 -0.60 0.00 0.00 56.93 56.56 2gr1 s PHE 206 Cb -0.20 -1.90 0.09 0.00 0.51 0.00 0.00 43.02 41.52 2gr1 s PHE 206 CO -0.04 0.39 0.97 0.39 0.70 0.00 0.00 175.22 177.63 2gr1 n GLU 207 N -0.43 -5.44 -4.39 0.44 1.02 0.33 -4.92 120.64 107.24 2gr1 n GLU 207 Ca -0.04 0.59 -0.22 0.00 -0.02 0.00 0.00 57.16 57.47 2gr1 n GLU 207 Cb 0.53 -5.47 -0.13 0.00 -0.02 0.00 0.00 31.44 26.35 2gr1 n GLU 207 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2gr1 s ARG 208 N -6.62 1.08 0.07 3.49 1.81 -0.92 -4.95 118.95 112.91 2gr1 s ARG 208 Ca 0.65 -0.91 0.06 0.00 -1.72 0.00 0.00 55.73 53.81 2gr1 s ARG 208 Cb -0.33 -1.17 -0.03 0.00 -0.45 0.00 0.00 34.95 32.98 2gr1 s ARG 208 CO 0.83 0.28 -0.16 -1.12 -0.68 0.00 0.00 175.30 174.45 2gr1 s SER 209 N -1.38 1.95 -0.03 0.23 0.01 -1.26 -2.75 113.70 110.48 2gr1 s SER 209 Ca 0.04 -0.60 -0.30 0.00 1.31 0.00 0.00 55.95 56.39 2gr1 s SER 209 Cb -0.09 -0.09 -0.03 0.00 0.21 0.00 0.00 66.02 66.02 2gr1 s SER 209 CO 0.02 -0.01 1.13 -0.69 0.41 0.00 0.00 173.24 174.11 2gr1 s VAL 210 N -1.14 4.39 -0.54 3.43 1.01 -1.26 -1.10 120.40 125.18 2gr1 s VAL 210 Ca 0.01 1.71 0.16 0.00 0.00 0.00 0.00 61.98 63.87 2gr1 s VAL 210 Cb -0.10 -4.10 -0.20 0.00 0.00 0.00 0.00 36.38 31.98 2gr1 s VAL 210 CO 0.03 0.05 0.59 0.35 0.00 0.00 0.00 175.10 176.12 2gr1 n THR 211 N 4.34 0.00 -3.87 3.92 -2.24 0.02 -4.83 114.28 111.62 2gr1 n THR 211 Ca 0.09 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 2gr1 n THR 211 Cb 0.47 0.73 0.00 0.00 -2.10 0.00 0.00 70.33 69.44 2gr1 n THR 211 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2gr1 n GLY 212 N 1.43 -0.80 3.38 3.38 0.00 -1.20 -4.87 105.19 106.51 2gr1 n GLY 212 Ca 0.01 -1.10 -0.14 0.00 0.00 0.00 0.00 46.02 44.79 2gr1 n GLY 212 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2gr1 s SER 213 N -4.00 -0.41 -0.05 1.61 1.04 -1.26 -0.35 113.70 110.28 2gr1 s SER 213 Ca 0.00 0.23 -0.02 0.00 0.48 0.00 0.00 55.95 56.64 2gr1 s SER 213 Cb 0.00 0.46 0.03 0.00 0.10 0.00 0.00 66.02 66.61 2gr1 s SER 213 CO 0.00 -0.65 0.07 -0.69 0.98 0.00 0.00 173.24 172.95 2gr1 s VAL 214 N -2.05 -0.13 -0.75 5.02 1.01 -0.16 -4.96 120.40 118.38 2gr1 s VAL 214 Ca -0.08 0.42 -0.08 0.00 0.00 0.00 0.00 61.98 62.24 2gr1 s VAL 214 Cb -0.01 -0.17 0.01 0.00 0.00 0.00 0.00 36.38 36.21 2gr1 s VAL 214 CO 0.01 0.17 0.62 -0.67 0.00 0.00 0.00 175.10 175.23 2gr1 n ASP 215 N 5.28 -5.06 -0.27 3.32 4.64 -1.26 -2.05 116.55 121.16 2gr1 n ASP 215 Ca -0.04 -0.78 -0.03 0.00 -1.38 0.00 0.00 54.79 52.56 2gr1 n ASP 215 Cb 0.50 -1.77 -0.01 0.00 -1.04 0.00 0.00 41.12 38.79 2gr1 n ASP 215 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 2gr1 n GLY 216 N -1.36 0.58 3.05 0.27 0.00 -1.26 -5.00 105.19 101.46 2gr1 n GLY 216 Ca -0.27 -0.21 -0.24 0.00 0.00 0.00 0.00 46.02 45.30 2gr1 n GLY 216 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2gr1 s VAL 217 N -1.83 1.13 -0.06 1.61 1.01 -0.87 -3.10 120.40 118.29 2gr1 s VAL 217 Ca 0.00 -0.51 -0.14 0.00 0.00 0.00 0.00 61.98 61.33 2gr1 s VAL 217 Cb 0.00 -1.01 -0.05 0.00 0.00 0.00 0.00 36.38 35.32 2gr1 s VAL 217 CO 0.00 0.35 0.35 -0.69 0.00 0.00 0.00 175.10 175.11 2gr1 s VAL 218 N 0.41 5.17 -0.11 2.92 1.01 0.93 -0.99 120.40 129.75 2gr1 s VAL 218 Ca -0.09 0.70 -0.04 0.00 0.00 0.00 0.00 61.98 62.54 2gr1 s VAL 218 Cb -0.13 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 2gr1 s VAL 218 CO 0.03 0.52 0.06 -0.76 0.00 0.00 0.00 175.10 174.94 2gr1 s LEU 219 N -0.55 3.90 0.31 3.92 1.43 0.53 -0.37 118.68 127.86 2gr1 s LEU 219 Ca 0.21 0.26 0.09 0.00 -1.03 0.00 0.00 54.13 53.66 2gr1 s LEU 219 Cb -0.15 -1.93 -0.05 0.00 0.03 0.00 0.00 46.19 44.10 2gr1 s LEU 219 CO 0.10 0.37 0.05 -0.76 0.23 0.00 0.00 176.35 176.33 2gr1 s LEU 220 N -0.80 3.16 0.00 1.79 1.02 -0.15 -0.80 118.68 122.89 2gr1 s LEU 220 Ca 0.13 -0.78 0.25 0.00 0.02 0.00 0.00 54.13 53.74 2gr1 s LEU 220 Cb -0.12 -1.62 1.13 0.00 0.02 0.00 0.00 46.19 45.60 2gr1 s LEU 220 CO 0.03 -0.16 1.81 -0.90 0.02 0.00 0.00 176.35 177.14 2gr1 n ASP 221 N -1.00 0.00 -0.29 2.29 3.85 -0.26 -1.51 116.55 119.63 2gr1 n ASP 221 Ca -0.05 0.28 0.10 0.00 -0.71 0.00 0.00 54.79 54.42 2gr1 n ASP 221 Cb 0.61 -0.42 0.48 0.00 -1.35 0.00 0.00 41.12 40.44 2gr1 n ASP 221 CO 0.00 0.00 0.00 -0.90 -1.01 0.00 0.00 177.20 175.29 2gr1 n ASP 222 N -1.42 0.88 0.00 -1.12 5.75 -1.26 -4.91 116.55 114.48 2gr1 n ASP 222 Ca 0.08 -1.55 0.00 0.00 -0.01 0.00 0.00 54.79 53.31 2gr1 n ASP 222 Cb 0.25 -0.05 0.00 0.00 -1.03 0.00 0.00 41.12 40.29 2gr1 n ASP 222 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2gr1 n GLY 223 N 0.98 0.51 3.85 6.12 0.00 -0.57 -5.06 105.19 111.03 2gr1 n GLY 223 Ca 0.16 -0.88 -0.28 0.00 0.00 0.00 0.00 46.02 45.01 2gr1 n GLY 223 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2gr1 s THR 224 N -2.00 1.52 0.06 2.61 -4.23 -1.24 -4.93 115.64 107.44 2gr1 s THR 224 Ca 0.00 -1.66 0.06 0.00 -1.18 0.00 0.00 61.69 58.91 2gr1 s THR 224 Cb 0.00 -2.18 -0.03 0.00 1.34 0.00 0.00 72.50 71.63 2gr1 s THR 224 CO 0.00 0.00 -0.17 -0.13 -0.54 0.00 0.00 174.62 173.78 2gr1 s ARG 225 N -4.14 1.06 -0.11 3.99 0.52 -1.26 -0.98 118.95 118.02 2gr1 s ARG 225 Ca 0.25 -0.94 -0.01 0.00 -0.52 0.00 0.00 55.73 54.51 2gr1 s ARG 225 Cb -0.01 -1.15 0.03 0.00 0.52 0.00 0.00 34.95 34.34 2gr1 s ARG 225 CO 0.15 0.28 -0.01 0.42 0.02 0.00 0.00 175.30 176.16 2gr1 s ILE 226 N -1.01 0.61 0.11 1.52 1.01 0.50 -4.97 121.20 118.97 2gr1 s ILE 226 Ca 0.03 -0.15 -0.26 0.00 0.00 0.00 0.00 60.65 60.27 2gr1 s ILE 226 Cb -0.09 -0.80 -0.07 0.00 0.01 0.00 0.00 42.46 41.51 2gr1 s ILE 226 CO 0.02 0.19 0.80 0.00 0.00 0.00 0.00 174.94 175.95 2gr1 s ALA 227 N 1.86 3.39 -0.04 9.38 0.00 -1.26 -0.05 121.76 135.05 2gr1 s ALA 227 Ca 0.04 0.36 -0.19 0.00 0.00 0.00 0.00 51.96 52.17 2gr1 s ALA 227 Cb -0.13 -3.02 0.04 0.00 0.00 0.00 0.00 23.12 20.01 2gr1 s ALA 227 CO -0.07 0.17 0.42 0.00 0.00 0.00 0.00 175.76 176.28 2gr1 s ALA 228 N -0.59 -1.07 -0.39 0.00 0.00 -1.18 -4.93 121.76 113.60 2gr1 s ALA 228 Ca 0.38 0.68 0.23 0.00 0.00 0.00 0.00 51.96 53.26 2gr1 s ALA 228 Cb -0.22 -0.04 0.20 0.00 0.00 0.00 0.00 23.12 23.06 2gr1 s ALA 228 CO 0.26 -0.28 1.30 -0.44 0.00 0.00 0.00 175.76 176.59 2gr1 h ASP 229 N 3.84 0.00 -4.11 0.00 3.32 -0.62 -3.44 116.42 115.40 2gr1 h ASP 229 Ca -0.29 -0.04 -0.04 0.00 0.02 0.00 0.00 57.03 56.69 2gr1 h ASP 229 Cb 1.17 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.51 2gr1 h ASP 229 CO 0.38 0.02 0.16 -0.32 -1.72 0.00 0.00 179.24 177.76 2gr1 s MET 230 N -3.27 0.85 -0.14 3.56 1.75 -1.15 -4.46 119.30 116.44 2gr1 s MET 230 Ca 0.03 0.85 -0.01 0.00 -1.25 0.00 0.00 55.69 55.31 2gr1 s MET 230 Cb 0.09 0.41 -0.02 0.00 2.84 0.00 0.00 34.83 38.15 2gr1 s MET 230 CO 0.73 -0.13 -0.10 0.08 -0.65 0.00 0.00 175.02 174.95 2gr1 s VAL 231 N 0.11 3.37 -0.22 10.11 1.01 -0.53 -1.10 120.40 133.15 2gr1 s VAL 231 Ca -0.02 -0.55 -0.04 0.00 0.00 0.00 0.00 61.98 61.37 2gr1 s VAL 231 Cb -0.04 -2.44 -0.01 0.00 0.00 0.00 0.00 36.38 33.89 2gr1 s VAL 231 CO 0.02 0.52 -0.03 -0.69 0.00 0.00 0.00 175.10 174.91 2gr1 s VAL 232 N 0.32 3.50 -0.24 2.92 1.01 -0.22 -0.61 120.40 127.08 2gr1 s VAL 232 Ca -0.08 -0.45 -0.16 0.00 0.00 0.00 0.00 61.98 61.29 2gr1 s VAL 232 Cb -0.15 -2.59 -0.03 0.00 0.00 0.00 0.00 36.38 33.60 2gr1 s VAL 232 CO 0.05 0.42 0.43 -0.69 0.00 0.00 0.00 175.10 175.31 2gr1 s VAL 233 N 1.43 5.15 -0.41 2.92 1.01 0.91 -1.10 120.40 130.31 2gr1 s VAL 233 Ca 0.05 0.73 0.08 0.00 0.00 0.00 0.00 61.98 62.84 2gr1 s VAL 233 Cb -0.14 -3.76 0.25 0.00 0.00 0.00 0.00 36.38 32.73 2gr1 s VAL 233 CO -0.02 0.17 0.54 0.61 0.00 0.00 0.00 175.10 176.40 2gr1 n GLY 234 N 4.26 3.02 1.44 4.51 0.00 0.54 -4.19 105.19 114.77 2gr1 n GLY 234 Ca -0.07 -1.67 0.08 0.00 0.00 0.00 0.00 46.02 44.36 2gr1 n GLY 234 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2gr1 n ILE 235 N 1.40 2.28 0.00 -0.61 -5.35 -1.24 -4.24 119.36 111.60 2gr1 n ILE 235 Ca 0.22 -1.47 0.00 0.00 -0.27 0.00 0.00 62.75 61.23 2gr1 n ILE 235 Cb 0.52 -0.12 0.00 0.00 -1.74 0.00 0.00 39.64 38.30 2gr1 n ILE 235 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2gr1 n GLY 236 N 0.40 -0.30 3.37 3.28 0.00 -1.26 -4.90 105.19 105.78 2gr1 n GLY 236 Ca 0.24 -2.28 -0.19 0.00 0.00 0.00 0.00 46.02 43.79 2gr1 n GLY 236 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2gr1 s VAL 237 N -0.87 1.40 -0.04 1.61 -7.23 -1.26 -1.12 120.40 112.88 2gr1 s VAL 237 Ca 0.00 -2.09 0.06 0.00 -1.81 0.00 0.00 61.98 58.13 2gr1 s VAL 237 Cb 0.00 -2.33 -0.01 0.00 0.56 0.00 0.00 36.38 34.60 2gr1 s VAL 237 CO 0.00 -0.37 -0.21 -0.76 -0.31 0.00 0.00 175.10 173.45 2gr1 s LEU 238 N -3.36 2.01 0.28 1.32 1.43 0.36 -4.75 118.68 115.96 2gr1 s LEU 238 Ca 0.27 -0.42 -0.30 0.00 -1.03 0.00 0.00 54.13 52.66 2gr1 s LEU 238 Cb 0.04 -1.15 -0.13 0.00 0.03 0.00 0.00 46.19 44.98 2gr1 s LEU 238 CO 0.09 0.22 1.37 0.00 0.23 0.00 0.00 176.35 178.27 2gr1 n ALA 239 N 2.88 1.27 -1.75 4.21 0.00 -1.26 -0.79 120.51 125.07 2gr1 n ALA 239 Ca -0.17 0.39 -0.41 0.00 0.00 0.00 0.00 53.44 53.25 2gr1 n ALA 239 Cb 0.52 -2.28 -0.01 0.00 0.00 0.00 0.00 19.45 17.69 2gr1 n ALA 239 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2gr1 n ASN 240 N 1.62 5.13 -1.09 0.00 5.03 -0.04 -4.67 115.26 121.24 2gr1 n ASN 240 Ca 0.09 -2.84 0.08 0.00 0.87 0.00 0.00 54.58 52.78 2gr1 n ASN 240 Cb 0.34 -1.60 0.28 0.00 -1.02 0.00 0.00 39.78 37.78 2gr1 n ASN 240 CO 0.00 0.00 0.00 -0.90 -1.83 0.00 0.00 177.26 174.53 2gr1 n ASP 241 N 5.12 4.21 -0.35 6.41 3.85 -1.26 -4.68 116.55 129.84 2gr1 n ASP 241 Ca 0.56 -2.91 -0.02 0.00 -0.71 0.00 0.00 54.79 51.71 2gr1 n ASP 241 Cb 0.35 -0.55 0.11 0.00 -1.35 0.00 0.00 41.12 39.68 2gr1 n ASP 241 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2gr1 h ALA 242 N 2.32 1.22 -0.58 2.12 0.00 -2.00 -0.76 119.26 121.58 2gr1 h ALA 242 Ca 0.00 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 2gr1 h ALA 242 Cb 1.50 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 2gr1 h ALA 242 CO 0.26 0.54 -0.03 -0.07 0.00 0.00 0.00 179.25 179.95 2gr1 h LEU 243 N 1.23 1.04 -0.43 0.00 4.07 -1.91 -1.53 115.31 117.78 2gr1 h LEU 243 Ca 0.36 -0.32 -0.01 0.00 0.08 0.00 0.00 57.88 57.99 2gr1 h LEU 243 Cb -0.07 -0.28 -0.02 0.00 1.08 0.00 0.00 40.66 41.37 2gr1 h LEU 243 CO -0.10 1.11 0.22 0.00 -1.08 0.00 0.00 178.44 178.59 2gr1 h ALA 244 N 0.97 0.55 -0.50 1.53 0.00 -1.79 -1.80 119.26 118.22 2gr1 h ALA 244 Ca 0.16 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.00 2gr1 h ALA 244 Cb 0.59 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 2gr1 h ALA 244 CO 0.04 0.10 0.29 0.00 0.00 0.00 0.00 179.25 179.68 2gr1 h ARG 245 N 0.56 0.56 -0.01 0.00 3.08 -0.90 -1.14 114.38 116.54 2gr1 h ARG 245 Ca 0.15 -0.03 -0.09 0.00 0.07 0.00 0.00 59.98 60.07 2gr1 h ARG 245 Cb 0.09 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 2gr1 h ARG 245 CO -0.02 0.37 -0.44 0.00 -1.07 0.00 0.00 179.97 178.81 2gr1 h ALA 246 N 1.23 1.27 -0.01 0.04 0.00 -1.13 -2.75 119.26 117.90 2gr1 h ALA 246 Ca 0.20 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2gr1 h ALA 246 Cb 0.03 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2gr1 h ALA 246 CO -0.10 0.55 -0.16 0.00 0.00 0.00 0.00 179.25 179.55 2gr1 n ALA 247 N -2.46 2.88 -0.16 0.00 0.00 -0.69 -4.93 120.51 115.14 2gr1 n ALA 247 Ca -0.02 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.06 2gr1 n ALA 247 Cb 0.46 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.70 2gr1 n ALA 247 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gr1 n GLY 248 N 1.28 0.91 3.82 0.00 0.00 -0.82 -4.89 105.19 105.49 2gr1 n GLY 248 Ca 0.14 -0.08 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 2gr1 n GLY 248 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2gr1 s LEU 249 N 0.00 3.74 -0.09 0.99 1.02 -0.49 -4.93 118.68 118.92 2gr1 s LEU 249 Ca 0.00 1.71 -0.30 0.00 0.02 0.00 0.00 54.13 55.56 2gr1 s LEU 249 Cb 0.00 -4.53 -0.04 0.00 0.02 0.00 0.00 46.19 41.64 2gr1 s LEU 249 CO 0.00 -0.63 1.44 0.00 0.02 0.00 0.00 176.35 177.17 2gr1 s ALA 250 N -2.35 3.63 -0.02 4.21 0.00 -1.26 -4.54 121.76 121.43 2gr1 s ALA 250 Ca 0.62 0.72 -0.09 0.00 0.00 0.00 0.00 51.96 53.20 2gr1 s ALA 250 Cb -0.12 -3.66 0.01 0.00 0.00 0.00 0.00 23.12 19.35 2gr1 s ALA 250 CO 0.24 -1.21 0.20 0.00 0.00 0.00 0.00 175.76 175.00 2gr1 s ASP 252 N -1.08 -0.50 -1.17 0.00 3.68 -1.26 -4.88 116.67 111.46 2gr1 s ASP 252 Ca -0.12 -1.34 -0.23 0.00 2.13 0.00 0.00 52.55 52.99 2gr1 s ASP 252 Cb -0.06 1.37 0.00 0.00 -1.45 0.00 0.00 42.92 42.79 2gr1 s ASP 252 CO 0.02 -0.18 0.75 -0.67 0.13 0.00 0.00 175.17 175.22 2gr1 n ASP 253 N 4.00 -4.79 0.00 -0.34 2.03 -1.26 -4.87 116.55 111.33 2gr1 n ASP 253 Ca 0.13 -1.09 0.00 0.00 0.52 0.00 0.00 54.79 54.36 2gr1 n ASP 253 Cb 0.53 -2.94 0.00 0.00 -0.72 0.00 0.00 41.12 37.99 2gr1 n ASP 253 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2gr1 n GLY 254 N -1.80 4.31 3.67 0.27 0.00 -1.26 -4.54 105.19 105.84 2gr1 n GLY 254 Ca -0.11 -1.29 -0.41 0.00 0.00 0.00 0.00 46.02 44.22 2gr1 n GLY 254 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2gr1 s ILE 255 N -1.42 4.93 0.05 -0.61 1.01 0.56 -4.33 121.20 121.38 2gr1 s ILE 255 Ca 0.00 1.50 -0.31 0.00 0.00 0.00 0.00 60.65 61.85 2gr1 s ILE 255 Cb 0.00 -4.08 -0.06 0.00 0.01 0.00 0.00 42.46 38.33 2gr1 s ILE 255 CO 0.00 0.07 1.34 -0.36 0.00 0.00 0.00 174.94 175.99 2gr1 s PHE 256 N 1.97 3.14 0.09 3.97 0.40 -0.84 -0.90 117.98 125.80 2gr1 s PHE 256 Ca 0.36 1.00 0.04 0.00 -0.60 0.00 0.00 56.93 57.72 2gr1 s PHE 256 Cb -0.16 -3.60 -0.03 0.00 0.51 0.00 0.00 43.02 39.73 2gr1 s PHE 256 CO 0.12 -2.09 -0.10 0.14 0.70 0.00 0.00 175.22 173.99 2gr1 s VAL 257 N 1.65 0.92 0.09 -0.44 -7.23 -0.90 -4.36 120.40 110.12 2gr1 s VAL 257 Ca 0.62 -1.53 -0.00 0.00 -1.81 0.00 0.00 61.98 59.26 2gr1 s VAL 257 Cb -0.32 -1.24 0.02 0.00 0.56 0.00 0.00 36.38 35.39 2gr1 s VAL 257 CO 0.28 -0.49 0.12 -0.90 -0.31 0.00 0.00 175.10 173.79 2gr1 n ASP 258 N 0.75 0.13 0.00 4.85 3.85 -1.05 -4.54 116.55 120.54 2gr1 n ASP 258 Ca -0.17 -1.12 0.09 0.00 -0.71 0.00 0.00 54.79 52.88 2gr1 n ASP 258 Cb 0.57 -0.08 0.43 0.00 -1.35 0.00 0.00 41.12 40.69 2gr1 n ASP 258 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2gr1 n ALA 259 N -3.00 1.91 1.13 2.12 0.00 -1.26 -1.28 120.51 120.13 2gr1 n ALA 259 Ca -0.02 -0.07 0.12 0.00 0.00 0.00 0.00 53.44 53.47 2gr1 n ALA 259 Cb 0.07 -1.30 0.20 0.00 0.00 0.00 0.00 19.45 18.41 2gr1 n ALA 259 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2gr1 n TYR 260 N -1.41 0.00 -0.84 0.00 0.53 -1.26 -0.14 117.16 114.03 2gr1 n TYR 260 Ca 0.06 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.94 2gr1 n TYR 260 Cb 0.19 -0.01 0.00 0.00 -1.03 0.00 0.00 39.34 38.49 2gr1 n TYR 260 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 2gr1 n GLY 261 N 1.32 0.73 3.74 2.72 0.00 -0.40 -4.79 105.19 108.52 2gr1 n GLY 261 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 2gr1 n GLY 261 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2gr1 s ARG 262 N -0.16 4.44 0.32 1.61 0.52 -1.26 -0.64 118.95 123.78 2gr1 s ARG 262 Ca 0.00 1.99 -0.01 0.00 -0.52 0.00 0.00 55.73 57.19 2gr1 s ARG 262 Cb 0.00 -3.20 0.06 0.00 0.52 0.00 0.00 34.95 32.34 2gr1 s ARG 262 CO 0.00 -0.15 0.44 0.25 0.02 0.00 0.00 175.30 175.85 2gr1 n THR 263 N 2.30 0.00 1.36 0.02 -2.24 -0.88 -2.54 114.28 112.30 2gr1 n THR 263 Ca 0.04 -0.64 0.13 0.00 -2.27 0.00 0.00 64.05 61.32 2gr1 n THR 263 Cb 0.43 -1.24 0.70 0.00 -2.10 0.00 0.00 70.33 68.13 2gr1 n THR 263 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2gr1 n THR 264 N -2.08 0.11 -3.78 4.28 -2.24 -1.26 -4.71 114.28 104.60 2gr1 n THR 264 Ca 0.07 0.03 -0.36 0.00 -2.27 0.00 0.00 64.05 61.51 2gr1 n THR 264 Cb 0.25 -0.59 -0.11 0.00 -2.10 0.00 0.00 70.33 67.78 2gr1 n THR 264 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2gr1 n PRO 266 N 4.60 1.93 -1.02 0.00 -0.02 -1.26 -2.05 135.00 137.18 2gr1 n PRO 266 Ca -0.16 0.69 -0.01 0.00 -2.02 0.00 0.00 63.50 62.01 2gr1 n PRO 266 Cb 0.52 -2.42 -0.00 0.00 -0.02 0.00 0.00 33.50 31.58 2gr1 n PRO 266 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2gr1 n ASP 267 N 0.08 -4.84 -4.15 2.55 10.43 -1.26 -4.99 116.55 114.36 2gr1 n ASP 267 Ca 0.07 0.02 -0.32 0.00 2.57 0.00 0.00 54.79 57.12 2gr1 n ASP 267 Cb 0.40 -2.40 -0.17 0.00 1.84 0.00 0.00 41.12 40.80 2gr1 n ASP 267 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 2gr1 s VAL 268 N -1.44 1.97 0.33 2.53 1.01 -0.87 -0.90 120.40 123.03 2gr1 s VAL 268 Ca 0.00 -0.92 0.09 0.00 0.00 0.00 0.00 61.98 61.15 2gr1 s VAL 268 Cb 0.00 -1.75 -0.05 0.00 0.00 0.00 0.00 36.38 34.58 2gr1 s VAL 268 CO 0.00 0.53 0.01 -0.31 0.00 0.00 0.00 175.10 175.33 2gr1 s TYR 269 N 0.87 2.56 0.01 5.22 1.51 0.04 -2.08 117.35 125.48 2gr1 s TYR 269 Ca -0.06 -0.40 -0.10 0.00 -1.01 0.00 0.00 57.07 55.49 2gr1 s TYR 269 Cb -0.15 -1.44 0.01 0.00 -0.11 0.00 0.00 41.96 40.27 2gr1 s TYR 269 CO -0.02 0.50 0.21 0.00 -1.11 0.00 0.00 175.55 175.12 2gr1 s ALA 270 N -2.49 -0.48 0.10 3.71 0.00 0.19 -0.10 121.76 122.69 2gr1 s ALA 270 Ca 0.34 -0.03 -0.16 0.00 0.00 0.00 0.00 51.96 52.11 2gr1 s ALA 270 Cb -0.01 0.15 0.03 0.00 0.00 0.00 0.00 23.12 23.29 2gr1 s ALA 270 CO 0.19 -0.27 0.39 -0.48 0.00 0.00 0.00 175.76 175.60 2gr1 s LEU 271 N -1.58 0.44 0.00 0.00 0.05 -0.66 -4.67 118.68 112.27 2gr1 s LEU 271 Ca -0.12 -0.23 0.00 0.00 0.05 0.00 0.00 54.13 53.83 2gr1 s LEU 271 Cb -0.05 1.77 0.00 0.00 -2.05 0.00 0.00 46.19 45.86 2gr1 s LEU 271 CO 0.01 -0.79 0.00 0.61 -0.55 0.00 0.00 176.35 175.63 2gr1 n GLY 272 N 0.01 -0.53 0.30 -3.48 0.00 -1.26 -4.21 105.19 96.02 2gr1 n GLY 272 Ca -0.17 -1.23 0.16 0.00 0.00 0.00 0.00 46.02 44.79 2gr1 n GLY 272 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2gr1 h ASP 273 N 6.13 0.00 0.91 1.61 5.19 -1.87 -1.23 116.42 127.15 2gr1 h ASP 273 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2gr1 h ASP 273 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 2gr1 h ASP 273 CO 0.00 0.01 0.00 0.55 -3.12 0.00 0.00 179.24 176.68 2gr1 n VAL 274 N -3.71 0.69 -3.64 -1.35 3.14 -1.22 -4.64 118.33 107.59 2gr1 n VAL 274 Ca -0.03 0.07 -0.32 0.00 -2.96 0.00 0.00 64.34 61.11 2gr1 n VAL 274 Cb 0.10 -0.89 -0.05 0.00 -1.06 0.00 0.00 33.84 31.94 2gr1 n VAL 274 CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 2gr1 s THR 275 N -3.15 5.14 -0.21 1.55 -4.23 -0.47 -0.33 115.64 113.95 2gr1 s THR 275 Ca 0.08 0.10 -0.04 0.00 -1.18 0.00 0.00 61.69 60.64 2gr1 s THR 275 Cb 0.11 -3.62 -0.02 0.00 1.34 0.00 0.00 72.50 70.32 2gr1 s THR 275 CO 0.44 0.04 -0.03 -0.60 -0.54 0.00 0.00 174.62 173.93 2gr1 s ARG 276 N -2.63 3.48 0.12 3.99 3.52 -0.07 -4.08 118.95 123.27 2gr1 s ARG 276 Ca 0.41 -0.58 -0.01 0.00 -0.13 0.00 0.00 55.73 55.41 2gr1 s ARG 276 Cb -0.12 -3.03 -0.04 0.00 -1.56 0.00 0.00 34.95 30.20 2gr1 s ARG 276 CO 0.24 -0.10 0.06 1.14 -0.81 0.00 0.00 175.30 175.83 2gr1 s GLN 277 N 1.26 0.91 0.04 5.12 -2.07 0.16 -2.13 119.66 122.95 2gr1 s GLN 277 Ca 0.03 -1.40 -0.31 0.00 -1.82 0.00 0.00 55.36 51.87 2gr1 s GLN 277 Cb -0.14 0.25 -0.06 0.00 -1.09 0.00 0.00 33.01 31.97 2gr1 s GLN 277 CO -0.00 -0.26 1.24 0.50 -1.32 0.00 0.00 175.29 175.45 2gr1 s ARG 278 N -4.03 4.39 -0.44 9.60 3.52 -1.26 -0.50 118.95 130.23 2gr1 s ARG 278 Ca 0.22 1.81 -0.20 0.00 -0.13 0.00 0.00 55.73 57.44 2gr1 s ARG 278 Cb 0.07 -3.39 0.03 0.00 -1.56 0.00 0.00 34.95 30.10 2gr1 s ARG 278 CO 0.01 -0.34 0.58 1.21 -0.81 0.00 0.00 175.30 175.95 2gr1 s ASN 279 N 1.21 6.27 0.55 -2.12 3.84 0.24 -4.94 114.94 120.00 2gr1 s ASN 279 Ca 0.59 -0.50 0.32 0.00 0.21 0.00 0.00 52.86 53.49 2gr1 s ASN 279 Cb -0.30 -2.29 1.55 0.00 -0.55 0.00 0.00 41.25 39.66 2gr1 s ASN 279 CO 0.28 -0.73 2.07 1.55 -2.79 0.00 0.00 177.10 177.48 2gr1 h PRO 280 N 8.85 0.00 -0.05 0.43 0.13 -1.87 0.82 132.00 140.30 2gr1 h PRO 280 Ca -0.26 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.85 2gr1 h PRO 280 Cb 1.10 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.23 2gr1 h PRO 280 CO 0.87 0.07 -0.04 -0.07 -0.23 0.00 0.00 178.00 178.60 2gr1 h LEU 281 N 0.00 0.12 0.00 1.56 3.38 -1.95 -3.25 115.31 115.17 2gr1 h LEU 281 Ca -0.00 -0.45 -0.02 0.00 0.09 0.00 0.00 57.88 57.50 2gr1 h LEU 281 Cb 0.38 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 2gr1 h LEU 281 CO 0.01 0.55 -0.63 0.77 0.09 0.00 0.00 178.44 179.22 2gr1 h SER 282 N -0.30 0.00 0.00 -0.43 4.64 -1.92 -3.48 113.55 112.06 2gr1 h SER 282 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 2gr1 h SER 282 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 2gr1 h SER 282 CO 0.01 0.08 0.00 0.61 -0.87 0.00 0.00 176.83 176.66 2gr1 n GLY 283 N 1.17 0.35 3.64 -0.77 0.00 0.28 -5.02 105.19 104.84 2gr1 n GLY 283 Ca 0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 2gr1 n GLY 283 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2gr1 s ARG 284 N -0.63 2.29 0.25 1.61 1.81 -1.18 -4.84 118.95 118.27 2gr1 s ARG 284 Ca 0.00 -1.25 -0.29 0.00 -1.72 0.00 0.00 55.73 52.47 2gr1 s ARG 284 Cb 0.00 -2.24 -0.09 0.00 -0.45 0.00 0.00 34.95 32.16 2gr1 s ARG 284 CO 0.00 0.42 0.95 -0.06 -0.68 0.00 0.00 175.30 175.93 2gr1 s PHE 285 N -1.93 3.92 -0.08 -0.53 0.40 -1.26 -0.59 117.98 117.92 2gr1 s PHE 285 Ca 0.28 1.89 -0.18 0.00 -0.60 0.00 0.00 56.93 58.32 2gr1 s PHE 285 Cb -0.08 -2.99 0.04 0.00 0.51 0.00 0.00 43.02 40.49 2gr1 s PHE 285 CO 0.18 0.36 0.42 -2.00 0.70 0.00 0.00 175.22 174.88 2gr1 s GLU 286 N -1.32 0.67 -0.45 0.44 2.12 0.34 -4.89 118.70 115.62 2gr1 s GLU 286 Ca 0.43 0.18 -0.23 0.00 0.36 0.00 0.00 54.97 55.71 2gr1 s GLU 286 Cb -0.25 0.31 0.03 0.00 0.26 0.00 0.00 34.13 34.47 2gr1 s GLU 286 CO 0.31 -0.16 0.76 0.50 -0.54 0.00 0.00 175.26 176.14 2gr1 s ARG 287 N -0.72 3.39 -0.10 4.30 3.52 -1.26 -0.67 118.95 127.41 2gr1 s ARG 287 Ca -0.08 -0.14 -0.18 0.00 -0.13 0.00 0.00 55.73 55.20 2gr1 s ARG 287 Cb -0.04 -3.94 -0.04 0.00 -1.56 0.00 0.00 34.95 29.37 2gr1 s ARG 287 CO 0.04 -1.10 0.47 0.42 -0.81 0.00 0.00 175.30 174.32 2gr1 s ILE 288 N 3.22 5.16 -0.35 4.11 1.01 -1.26 -4.96 121.20 128.13 2gr1 s ILE 288 Ca 0.29 0.94 0.13 0.00 0.00 0.00 0.00 60.65 62.01 2gr1 s ILE 288 Cb -0.12 -3.80 0.35 0.00 0.01 0.00 0.00 42.46 38.89 2gr1 s ILE 288 CO 0.22 0.36 1.26 -0.62 0.00 0.00 0.00 174.94 176.17 2gr1 n GLU 289 N 3.40 2.61 -2.90 2.79 1.02 -1.26 -4.48 120.64 121.81 2gr1 n GLU 289 Ca -0.08 -2.38 -0.30 0.00 -0.02 0.00 0.00 57.16 54.38 2gr1 n GLU 289 Cb 0.52 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.40 2gr1 n GLU 289 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2gr1 s THR 290 N -2.07 4.79 0.17 2.62 -4.23 -1.26 -4.98 115.64 110.68 2gr1 s THR 290 Ca 0.29 0.61 -0.14 0.00 -1.18 0.00 0.00 61.69 61.27 2gr1 s THR 290 Cb 0.22 -3.72 0.06 0.00 1.34 0.00 0.00 72.50 70.40 2gr1 s THR 290 CO 0.08 -0.49 1.78 -0.25 -0.54 0.00 0.00 174.62 175.21 2gr1 h TRP 291 N 1.35 0.74 -0.86 3.99 7.01 -1.97 -2.52 115.95 123.69 2gr1 h TRP 291 Ca -0.47 -0.01 0.02 0.00 2.11 0.00 0.00 58.89 60.54 2gr1 h TRP 291 Cb 1.19 -0.24 -0.05 0.00 -2.10 0.00 0.00 29.16 27.96 2gr1 h TRP 291 CO 0.61 0.54 0.57 0.66 -2.79 0.00 0.00 178.44 178.02 2gr1 h SER 292 N 0.73 0.95 -0.33 2.65 4.64 -1.94 -1.87 113.55 118.38 2gr1 h SER 292 Ca 0.19 -0.02 -0.04 0.00 -0.47 0.00 0.00 61.79 61.45 2gr1 h SER 292 Cb 0.03 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 61.88 2gr1 h SER 292 CO -0.03 0.67 0.04 -1.13 -0.87 0.00 0.00 176.83 175.51 2gr1 h ASN 293 N 1.11 0.54 -0.32 4.97 -1.24 -1.79 0.62 115.58 119.47 2gr1 h ASN 293 Ca 0.33 -0.27 0.05 0.00 0.71 0.00 0.00 56.30 57.12 2gr1 h ASN 293 Cb -0.04 -0.14 -0.04 0.00 0.73 0.00 0.00 38.32 38.83 2gr1 h ASN 293 CO -0.09 0.67 0.06 0.00 -1.29 0.00 0.00 177.43 176.78 2gr1 h ALA 294 N 0.89 0.34 0.05 1.57 0.00 -0.99 0.21 119.26 121.32 2gr1 h ALA 294 Ca 0.10 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 2gr1 h ALA 294 Cb 0.37 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2gr1 h ALA 294 CO 0.01 -0.35 -0.03 0.37 0.00 0.00 0.00 179.25 179.25 2gr1 h GLN 295 N 0.17 -0.07 0.01 0.00 4.15 -1.29 -2.79 115.11 115.30 2gr1 h GLN 295 Ca 0.15 0.00 -0.23 0.00 0.77 0.00 0.00 58.65 59.35 2gr1 h GLN 295 Cb 0.17 0.02 0.00 0.00 0.21 0.00 0.00 27.48 27.88 2gr1 h GLN 295 CO -0.20 0.36 -0.96 -0.91 -1.93 0.00 0.00 178.83 175.19 2gr1 h ASN 296 N -0.53 0.50 -0.45 -0.69 2.35 -0.65 -0.94 115.58 115.18 2gr1 h ASN 296 Ca -0.01 -0.41 -0.12 0.00 -0.55 0.00 0.00 56.30 55.21 2gr1 h ASN 296 Cb 0.47 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.67 2gr1 h ASN 296 CO 0.01 1.22 -0.18 -0.61 -1.65 0.00 0.00 177.43 176.22 2gr1 h GLN 297 N 0.21 0.95 -0.27 0.81 4.15 -0.74 0.11 115.11 120.33 2gr1 h GLN 297 Ca -0.08 -0.38 0.00 0.00 0.77 0.00 0.00 58.65 58.96 2gr1 h GLN 297 Cb 1.60 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 29.23 2gr1 h GLN 297 CO 0.16 1.04 0.17 0.78 -1.93 0.00 0.00 178.83 179.06 2gr1 h GLY 298 N 0.92 0.38 0.94 2.39 0.00 -1.28 -1.04 103.07 105.38 2gr1 h GLY 298 Ca 0.12 -0.15 -0.02 0.00 0.00 0.00 0.00 47.33 47.28 2gr1 h GLY 298 CO 0.06 0.15 0.15 -2.22 0.00 0.00 0.00 176.54 174.68 2gr1 h ILE 299 N 0.35 1.18 -0.67 2.60 2.04 -0.96 -2.32 117.51 119.73 2gr1 h ILE 299 Ca 0.10 -0.52 -0.07 0.00 1.00 0.00 0.00 64.86 65.36 2gr1 h ILE 299 Cb -0.01 0.87 -0.03 0.00 -0.74 0.00 0.00 36.82 36.91 2gr1 h ILE 299 CO -0.02 0.19 0.14 0.00 0.00 0.00 0.00 178.15 178.46 2gr1 h ALA 300 N 1.00 0.99 -0.22 1.87 0.00 -0.49 -0.59 119.26 121.82 2gr1 h ALA 300 Ca 0.12 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 2gr1 h ALA 300 Cb 0.15 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2gr1 h ALA 300 CO -0.01 0.65 0.01 0.28 0.00 0.00 0.00 179.25 180.17 2gr1 h VAL 301 N 1.01 1.25 -0.41 0.00 2.07 -1.16 -2.20 116.25 116.82 2gr1 h VAL 301 Ca 0.21 -0.86 0.05 0.00 0.82 0.00 0.00 66.70 66.91 2gr1 h VAL 301 Cb 0.39 1.38 -0.04 0.00 -1.52 0.00 0.00 31.29 31.49 2gr1 h VAL 301 CO 0.01 0.27 0.16 0.00 0.02 0.00 0.00 177.57 178.02 2gr1 h ALA 302 N 0.81 0.49 -0.66 1.67 0.00 -1.23 -1.26 119.26 119.08 2gr1 h ALA 302 Ca 0.06 0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.03 2gr1 h ALA 302 Cb 0.39 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 2gr1 h ALA 302 CO 0.01 -0.22 0.43 -0.09 0.00 0.00 0.00 179.25 179.37 2gr1 h ARG 303 N 0.33 0.84 0.00 0.00 9.65 -0.94 -2.15 114.38 122.12 2gr1 h ARG 303 Ca 0.19 -0.05 -0.13 0.00 -1.10 0.00 0.00 59.98 58.88 2gr1 h ARG 303 Cb 0.15 -0.19 -0.02 0.00 -1.39 0.00 0.00 29.97 28.52 2gr1 h ARG 303 CO -0.18 0.56 -0.64 1.25 2.80 0.00 0.00 179.97 183.76 2gr1 h HIS 304 N 0.86 0.00 -0.66 2.20 2.76 -1.29 0.18 115.15 119.21 2gr1 h HIS 304 Ca 0.25 0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.39 2gr1 h HIS 304 Cb -0.07 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 28.87 2gr1 h HIS 304 CO -0.03 0.64 0.30 -0.07 -1.30 0.00 0.00 177.93 177.47 2gr1 h LEU 305 N 0.00 0.88 0.15 0.26 3.38 -0.76 -2.62 115.31 116.59 2gr1 h LEU 305 Ca -0.01 -0.14 -0.28 0.00 0.09 0.00 0.00 57.88 57.54 2gr1 h LEU 305 Cb 1.14 -0.23 0.03 0.00 0.09 0.00 0.00 40.66 41.70 2gr1 h LEU 305 CO 0.08 0.78 -1.17 0.58 0.09 0.00 0.00 178.44 178.80 2gr1 h VAL 306 N 0.92 1.33 -3.25 1.22 2.07 -1.23 -3.37 116.25 113.94 2gr1 h VAL 306 Ca 0.22 -2.49 -0.63 0.00 0.82 0.00 0.00 66.70 64.62 2gr1 h VAL 306 Cb 0.15 2.86 -0.41 0.00 -1.52 0.00 0.00 31.29 32.36 2gr1 h VAL 306 CO -0.03 0.74 -0.67 -0.62 0.02 0.00 0.00 177.57 177.02 2gr1 s ASP 307 N -7.33 4.09 0.13 0.57 2.15 0.63 -4.98 116.67 111.93 2gr1 s ASP 307 Ca -0.10 -2.86 0.08 0.00 0.43 0.00 0.00 52.55 50.09 2gr1 s ASP 307 Cb 0.04 -1.43 0.42 0.00 -0.30 0.00 0.00 42.92 41.66 2gr1 s ASP 307 CO 0.91 -0.25 1.19 -2.65 -0.17 0.00 0.00 175.17 174.20 2gr1 n PRO 308 N 3.28 0.05 0.07 4.34 -0.02 -0.99 -0.83 135.00 140.90 2gr1 n PRO 308 Ca 0.06 0.51 0.13 0.00 -2.02 0.00 0.00 63.50 62.18 2gr1 n PRO 308 Cb 0.33 -1.74 0.33 0.00 -0.02 0.00 0.00 33.50 32.39 2gr1 n PRO 308 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2gr1 n THR 309 N -1.75 0.41 -1.66 3.45 -2.24 -1.26 -4.88 114.28 106.36 2gr1 n THR 309 Ca -0.01 -0.24 -0.35 0.00 -2.27 0.00 0.00 64.05 61.19 2gr1 n THR 309 Cb 0.09 -0.35 0.07 0.00 -2.10 0.00 0.00 70.33 68.03 2gr1 n THR 309 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2gr1 s ALA 310 N -3.11 2.29 0.75 6.98 0.00 -0.01 -4.99 121.76 123.67 2gr1 s ALA 310 Ca 0.09 0.95 -0.11 0.00 0.00 0.00 0.00 51.96 52.89 2gr1 s ALA 310 Cb 0.14 -3.47 0.04 0.00 0.00 0.00 0.00 23.12 19.83 2gr1 s ALA 310 CO 0.64 -1.61 1.09 -1.25 0.00 0.00 0.00 175.76 174.64 2gr1 s PRO 311 N -3.68 2.48 1.05 0.00 0.04 -1.26 -4.87 135.00 128.76 2gr1 s PRO 311 Ca 0.76 0.64 -0.13 0.00 0.04 0.00 0.00 61.00 62.31 2gr1 s PRO 311 Cb -0.30 -1.96 0.22 0.00 0.04 0.00 0.00 34.50 32.49 2gr1 s PRO 311 CO 0.41 -1.34 1.08 0.20 0.04 0.00 0.00 177.00 177.39 2gr1 s GLY 312 N -4.03 1.56 0.27 0.56 0.00 -1.26 -4.76 107.32 99.66 2gr1 s GLY 312 Ca 0.59 -0.39 -0.31 0.00 0.00 0.00 0.00 44.72 44.62 2gr1 s GLY 312 CO 0.54 0.26 1.61 2.98 0.00 0.00 0.00 173.10 178.50 2gr1 n TYR 313 N -4.36 2.79 -0.93 1.90 -0.00 0.80 -4.89 117.16 112.46 2gr1 n TYR 313 Ca 0.05 0.22 0.00 0.00 -0.00 0.00 0.00 57.90 58.17 2gr1 n TYR 313 Cb 0.57 -2.61 0.00 0.00 -0.00 0.00 0.00 39.34 37.30 2gr1 n TYR 313 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 2gr1 n ALA 314 N 2.55 0.00 -1.76 2.98 0.00 -1.26 -4.82 120.51 118.19 2gr1 n ALA 314 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.17 2gr1 n ALA 314 Cb 0.36 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.83 2gr1 n ALA 314 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2gr1 s GLU 315 N 0.00 3.35 0.08 0.00 0.41 -1.26 -4.97 118.70 116.31 2gr1 s GLU 315 Ca 0.00 2.03 -0.13 0.00 -0.41 0.00 0.00 54.97 56.46 2gr1 s GLU 315 Cb 0.00 -2.28 -0.06 0.00 -1.78 0.00 0.00 34.13 30.00 2gr1 s GLU 315 CO 0.00 -0.96 0.47 -0.51 -0.49 0.00 0.00 175.26 173.77 2gr1 s LEU 316 N -3.39 4.39 0.44 1.80 1.43 -1.26 -4.82 118.68 117.28 2gr1 s LEU 316 Ca 0.69 0.97 -0.24 0.00 -1.03 0.00 0.00 54.13 54.53 2gr1 s LEU 316 Cb -0.35 -2.99 -0.08 0.00 0.03 0.00 0.00 46.19 42.80 2gr1 s LEU 316 CO 0.42 0.19 1.18 -2.16 0.23 0.00 0.00 176.35 176.21 2gr1 s PRO 317 N -1.67 3.82 0.05 1.29 0.04 -1.26 -4.86 135.00 132.41 2gr1 s PRO 317 Ca 0.32 1.82 -0.27 0.00 0.04 0.00 0.00 61.00 62.92 2gr1 s PRO 317 Cb -0.15 -2.48 0.07 0.00 0.04 0.00 0.00 34.50 31.97 2gr1 s PRO 317 CO 0.17 -0.51 0.62 1.67 0.04 0.00 0.00 177.00 179.00 2gr1 s TRP 318 N -1.49 -0.58 0.23 0.56 1.48 -1.26 -0.46 118.94 117.41 2gr1 s TRP 318 Ca 0.62 0.71 -0.09 0.00 -1.06 0.00 0.00 56.10 56.28 2gr1 s TRP 318 Cb -0.30 0.46 -0.01 0.00 -1.16 0.00 0.00 33.47 32.46 2gr1 s TRP 318 CO 0.37 -0.71 0.37 1.52 -4.06 0.00 0.00 176.95 174.43 2gr1 s TYR 319 N -2.41 0.57 0.34 1.66 -0.85 0.25 -4.52 117.35 112.40 2gr1 s TYR 319 Ca -0.05 -0.90 0.09 0.00 -0.52 0.00 0.00 57.07 55.70 2gr1 s TYR 319 Cb -0.01 -0.03 -0.06 0.00 0.38 0.00 0.00 41.96 42.24 2gr1 s TYR 319 CO -0.01 -0.87 -0.06 1.67 -1.52 0.00 0.00 175.55 174.76 2gr1 s TRP 320 N -4.05 2.45 -0.17 -3.49 -2.14 -1.26 -0.72 118.94 109.57 2gr1 s TRP 320 Ca 0.26 -0.47 -0.08 0.00 2.66 0.00 0.00 56.10 58.47 2gr1 s TRP 320 Cb 0.02 -1.41 0.07 0.00 -3.10 0.00 0.00 33.47 29.04 2gr1 s TRP 320 CO 0.09 0.55 0.38 0.45 -2.66 0.00 0.00 176.95 175.76 2gr1 s SER 321 N -3.65 -0.33 -0.38 -2.66 0.15 0.16 -4.97 113.70 102.01 2gr1 s SER 321 Ca 0.33 0.86 -0.14 0.00 0.70 0.00 0.00 55.95 57.70 2gr1 s SER 321 Cb 0.01 0.90 0.01 0.00 -1.71 0.00 0.00 66.02 65.23 2gr1 s SER 321 CO 0.17 -0.21 0.27 -1.81 1.20 0.00 0.00 173.24 172.87 2gr1 s ASP 322 N 1.84 6.04 -0.52 5.45 1.01 -1.26 -0.87 116.67 128.35 2gr1 s ASP 322 Ca -0.06 -0.77 0.04 0.00 0.71 0.00 0.00 52.55 52.46 2gr1 s ASP 322 Cb -0.10 -2.13 0.14 0.00 1.01 0.00 0.00 42.92 41.83 2gr1 s ASP 322 CO -0.12 -0.38 0.29 -1.10 0.21 0.00 0.00 175.17 174.07 2gr1 s GLN 323 N 1.68 1.82 6.69 8.23 -0.21 0.56 -4.66 119.66 133.77 2gr1 s GLN 323 Ca 0.05 -2.54 0.00 0.00 0.02 0.00 0.00 55.36 52.89 2gr1 s GLN 323 Cb -0.19 -3.00 0.00 0.00 1.00 0.00 0.00 33.01 30.82 2gr1 s GLN 323 CO 0.10 -1.16 0.00 0.41 -2.12 0.00 0.00 175.29 172.52 2gr1 n GLY 324 N 3.06 3.99 0.00 3.09 0.00 -1.26 -1.22 105.19 112.85 2gr1 n GLY 324 Ca 0.09 0.16 0.09 0.00 0.00 0.00 0.00 46.02 46.36 2gr1 n GLY 324 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gr1 n ALA 325 N 12.39 1.92 -2.59 4.61 0.00 -1.26 -4.70 120.51 130.88 2gr1 n ALA 325 Ca 0.00 -0.07 -0.40 0.00 0.00 0.00 0.00 53.44 52.97 2gr1 n ALA 325 Cb 0.00 -1.30 -0.11 0.00 0.00 0.00 0.00 19.45 18.04 2gr1 n ALA 325 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2gr1 s LEU 326 N -2.82 4.39 -0.48 0.00 1.43 -0.35 -4.92 118.68 115.93 2gr1 s LEU 326 Ca 0.13 -0.38 -0.12 0.00 -1.03 0.00 0.00 54.13 52.73 2gr1 s LEU 326 Cb 0.12 -2.11 0.11 0.00 0.03 0.00 0.00 46.19 44.34 2gr1 s LEU 326 CO 0.32 -0.20 0.38 -0.13 0.23 0.00 0.00 176.35 176.94 2gr1 s ARG 327 N 1.71 2.68 -0.17 1.70 0.52 -1.26 -0.32 118.95 123.81 2gr1 s ARG 327 Ca 0.06 -1.67 -0.08 0.00 -0.52 0.00 0.00 55.73 53.52 2gr1 s ARG 327 Cb -0.17 -4.02 -0.04 0.00 0.52 0.00 0.00 34.95 31.23 2gr1 s ARG 327 CO 0.10 -1.18 0.11 0.42 0.02 0.00 0.00 175.30 174.77 2gr1 s ILE 328 N 1.46 5.26 -0.03 1.52 1.01 -0.05 -0.69 121.20 129.68 2gr1 s ILE 328 Ca 0.04 0.13 0.02 0.00 0.00 0.00 0.00 60.65 60.85 2gr1 s ILE 328 Cb -0.27 -3.36 0.01 0.00 0.01 0.00 0.00 42.46 38.85 2gr1 s ILE 328 CO 0.01 0.50 -0.08 -1.10 0.00 0.00 0.00 174.94 174.27 2gr1 s GLN 329 N -0.06 0.97 -0.03 2.79 -0.21 0.30 -0.66 119.66 122.75 2gr1 s GLN 329 Ca 0.09 -0.27 0.00 0.00 0.02 0.00 0.00 55.36 55.20 2gr1 s GLN 329 Cb -0.12 -0.90 0.03 0.00 1.00 0.00 0.00 33.01 33.02 2gr1 s GLN 329 CO 0.00 0.08 -0.01 0.08 -2.12 0.00 0.00 175.29 173.32 2gr1 s VAL 330 N 0.33 0.24 0.03 1.09 1.01 0.11 -0.40 120.40 122.81 2gr1 s VAL 330 Ca -0.05 0.06 0.06 0.00 0.00 0.00 0.00 61.98 62.05 2gr1 s VAL 330 Cb -0.10 -0.33 -0.02 0.00 0.00 0.00 0.00 36.38 35.93 2gr1 s VAL 330 CO 0.01 0.16 -0.18 0.00 0.00 0.00 0.00 175.10 175.09 2gr1 s ALA 331 N 1.08 1.51 0.00 5.51 0.00 0.43 -0.58 121.76 129.71 2gr1 s ALA 331 Ca -0.09 -0.93 0.00 0.00 0.00 0.00 0.00 51.96 50.94 2gr1 s ALA 331 Cb -0.14 -0.29 0.00 0.00 0.00 0.00 0.00 23.12 22.69 2gr1 s ALA 331 CO -0.02 0.33 0.00 0.41 0.00 0.00 0.00 175.76 176.48 2gr1 n GLY 332 N 2.00 0.71 3.84 0.00 0.00 0.39 -1.38 105.19 110.75 2gr1 n GLY 332 Ca -0.17 -0.82 -0.34 0.00 0.00 0.00 0.00 46.02 44.69 2gr1 n GLY 332 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2gr1 s LEU 333 N 0.00 4.21 0.50 0.99 1.43 0.48 -4.92 118.68 121.37 2gr1 s LEU 333 Ca 0.00 1.29 0.29 0.00 -1.03 0.00 0.00 54.13 54.68 2gr1 s LEU 333 Cb 0.00 -3.77 1.07 0.00 0.03 0.00 0.00 46.19 43.52 2gr1 s LEU 333 CO 0.00 -0.07 1.88 0.00 0.23 0.00 0.00 176.35 178.39 2gr1 h ALA 334 N 2.87 1.00 -2.80 4.21 0.00 -1.88 -3.38 119.26 119.28 2gr1 h ALA 334 Ca -0.48 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.32 2gr1 h ALA 334 Cb 1.18 -0.01 -0.13 0.00 0.00 0.00 0.00 17.79 18.84 2gr1 h ALA 334 CO 0.66 0.09 -0.02 -1.54 0.00 0.00 0.00 179.25 178.43 2gr1 s SER 335 N -5.92 -0.29 0.00 0.00 1.04 -1.26 -4.04 113.70 103.24 2gr1 s SER 335 Ca 0.02 -0.28 0.00 0.00 0.48 0.00 0.00 55.95 56.17 2gr1 s SER 335 Cb 0.09 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.71 2gr1 s SER 335 CO 0.59 -0.88 0.00 0.61 0.98 0.00 0.00 173.24 174.54 2gr1 n GLY 336 N -0.26 5.48 1.06 7.32 0.00 -1.26 -4.94 105.19 112.59 2gr1 n GLY 336 Ca -0.16 -0.82 0.11 0.00 0.00 0.00 0.00 46.02 45.15 2gr1 n GLY 336 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2gr1 n ASP 337 N 0.00 3.29 -3.64 1.61 5.68 0.81 -4.96 116.55 119.34 2gr1 n ASP 337 Ca 0.00 -1.96 -0.06 0.00 -0.50 0.00 0.00 54.79 52.28 2gr1 n ASP 337 Cb 0.00 -0.21 -0.07 0.00 -1.14 0.00 0.00 41.12 39.70 2gr1 n ASP 337 CO 0.00 0.00 0.00 -0.70 -1.33 0.00 0.00 177.20 175.17 2gr1 s GLU 338 N -1.46 0.49 -0.11 0.11 2.12 -1.08 -5.02 118.70 113.74 2gr1 s GLU 338 Ca 0.35 0.74 0.02 0.00 0.36 0.00 0.00 54.97 56.44 2gr1 s GLU 338 Cb 0.21 0.15 -0.01 0.00 0.26 0.00 0.00 34.13 34.75 2gr1 s GLU 338 CO 0.29 -0.08 -0.20 -2.00 -0.54 0.00 0.00 175.26 172.73 2gr1 s GLU 339 N 0.98 3.17 -0.18 4.30 2.12 -1.26 -1.02 118.70 126.82 2gr1 s GLU 339 Ca -0.05 -0.81 -0.09 0.00 0.36 0.00 0.00 54.97 54.39 2gr1 s GLU 339 Cb -0.04 -2.43 -0.05 0.00 0.26 0.00 0.00 34.13 31.87 2gr1 s GLU 339 CO -0.12 0.18 0.12 0.42 -0.54 0.00 0.00 175.26 175.32 2gr1 s ILE 340 N 0.37 5.32 -0.19 -3.70 1.01 0.55 -4.95 121.20 119.60 2gr1 s ILE 340 Ca -0.15 0.15 -0.03 0.00 0.00 0.00 0.00 60.65 60.62 2gr1 s ILE 340 Cb -0.17 -3.39 -0.01 0.00 0.01 0.00 0.00 42.46 38.89 2gr1 s ILE 340 CO 0.07 0.49 -0.06 -0.69 0.00 0.00 0.00 174.94 174.75 2gr1 s VAL 341 N 0.01 3.36 -0.29 2.92 1.01 -1.26 -0.87 120.40 125.29 2gr1 s VAL 341 Ca 0.09 -0.51 -0.09 0.00 0.00 0.00 0.00 61.98 61.47 2gr1 s VAL 341 Cb -0.11 -2.50 -0.02 0.00 0.00 0.00 0.00 36.38 33.75 2gr1 s VAL 341 CO -0.00 0.45 0.13 -0.13 0.00 0.00 0.00 175.10 175.55 2gr1 s ARG 342 N 1.10 3.51 0.00 2.72 0.52 0.28 -4.92 118.95 122.16 2gr1 s ARG 342 Ca 0.01 -0.59 0.00 0.00 -0.52 0.00 0.00 55.73 54.63 2gr1 s ARG 342 Cb -0.15 -3.50 0.00 0.00 0.52 0.00 0.00 34.95 31.82 2gr1 s ARG 342 CO -0.01 -0.32 0.00 0.41 0.02 0.00 0.00 175.30 175.41 2gr1 n GLY 343 N 4.97 0.56 3.84 -3.53 0.00 -1.26 -1.33 105.19 108.44 2gr1 n GLY 343 Ca -0.15 -1.93 -0.34 0.00 0.00 0.00 0.00 46.02 43.61 2gr1 n GLY 343 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2gr1 s GLU 344 N -1.77 4.07 -0.49 1.61 8.01 -1.26 -4.91 118.70 123.95 2gr1 s GLU 344 Ca 0.00 0.70 -0.14 0.00 0.01 0.00 0.00 54.97 55.54 2gr1 s GLU 344 Cb 0.00 -2.62 0.10 0.00 -4.31 0.00 0.00 34.13 27.30 2gr1 s GLU 344 CO 0.00 0.26 0.42 0.08 0.01 0.00 0.00 175.26 176.03 2gr1 s VAL 345 N -1.79 4.95 -0.07 2.63 1.01 -1.26 -4.50 120.40 121.36 2gr1 s VAL 345 Ca 0.49 -1.40 -0.10 0.00 0.00 0.00 0.00 61.98 60.97 2gr1 s VAL 345 Cb -0.13 -4.10 0.02 0.00 0.00 0.00 0.00 36.38 32.18 2gr1 s VAL 345 CO 0.19 -0.72 0.26 -0.55 0.00 0.00 0.00 175.10 174.28 2gr1 s SER 346 N 2.97 -0.22 0.50 3.32 0.15 -1.26 -5.03 113.70 114.14 2gr1 s SER 346 Ca 0.04 0.34 0.29 0.00 0.70 0.00 0.00 55.95 57.32 2gr1 s SER 346 Cb -0.27 0.45 1.06 0.00 -1.71 0.00 0.00 66.02 65.55 2gr1 s SER 346 CO 0.03 -0.21 1.87 -0.07 1.20 0.00 0.00 173.24 176.07 2gr1 h LEU 347 N 5.13 0.00 -8.61 3.45 3.38 -1.98 -3.23 115.31 113.45 2gr1 h LEU 347 Ca -0.27 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.14 2gr1 h LEU 347 Cb 1.19 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.87 2gr1 h LEU 347 CO 0.36 0.06 0.99 -1.81 0.09 0.00 0.00 178.44 178.12 2gr1 s ASP 348 N -5.91 6.44 -0.83 -0.43 -0.00 -1.26 -4.28 116.67 110.40 2gr1 s ASP 348 Ca 0.02 0.20 -0.03 0.00 -0.00 0.00 0.00 52.55 52.75 2gr1 s ASP 348 Cb 0.08 -2.55 0.00 0.00 -0.00 0.00 0.00 42.92 40.45 2gr1 s ASP 348 CO 0.59 -1.47 0.66 0.00 -0.00 0.00 0.00 175.17 174.95 2gr1 n ALA 349 N 8.48 -2.67 -1.68 5.23 0.00 -1.26 -4.81 120.51 123.80 2gr1 n ALA 349 Ca 0.10 -0.18 -0.45 0.00 0.00 0.00 0.00 53.44 52.91 2gr1 n ALA 349 Cb 0.49 -1.34 -0.04 0.00 0.00 0.00 0.00 19.45 18.56 2gr1 n ALA 349 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2gr1 n PRO 350 N -2.51 2.47 -3.26 0.00 -0.02 -1.22 -4.95 135.00 125.51 2gr1 n PRO 350 Ca -0.18 0.90 0.03 0.00 -2.02 0.00 0.00 63.50 62.23 2gr1 n PRO 350 Cb 0.61 -2.75 -0.02 0.00 -0.02 0.00 0.00 33.50 31.33 2gr1 n PRO 350 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2gr1 s LYS 351 N 2.49 0.57 0.24 -0.52 2.20 -1.26 -4.61 119.74 118.85 2gr1 s LYS 351 Ca 0.83 1.10 -0.22 0.00 -0.36 0.00 0.00 55.97 57.33 2gr1 s LYS 351 Cb -0.59 0.63 0.04 0.00 -1.51 0.00 0.00 37.83 36.40 2gr1 s LYS 351 CO 0.41 -0.52 0.71 -0.59 -0.36 0.00 0.00 175.35 174.99 2gr1 s PHE 352 N 2.87 -0.27 -0.01 4.03 -0.12 -0.85 -4.35 117.98 119.28 2gr1 s PHE 352 Ca 0.15 -0.11 0.03 0.00 -0.05 0.00 0.00 56.93 56.95 2gr1 s PHE 352 Cb -0.14 0.67 -0.00 0.00 -0.63 0.00 0.00 43.02 42.91 2gr1 s PHE 352 CO -0.20 -1.11 -0.09 0.99 -0.05 0.00 0.00 175.22 174.76 2gr1 s THR 353 N -3.83 0.74 0.02 -4.49 2.01 -0.44 -0.51 115.64 109.14 2gr1 s THR 353 Ca 0.09 -0.39 0.07 0.00 0.31 0.00 0.00 61.69 61.76 2gr1 s THR 353 Cb -0.04 -0.63 -0.03 0.00 0.01 0.00 0.00 72.50 71.81 2gr1 s THR 353 CO 0.02 0.22 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.22 2gr1 s LEU 354 N -0.13 2.57 -0.09 4.42 1.43 0.80 -0.56 118.68 127.12 2gr1 s LEU 354 Ca 0.02 -0.39 0.00 0.00 -1.03 0.00 0.00 54.13 52.73 2gr1 s LEU 354 Cb -0.05 -1.50 0.02 0.00 0.03 0.00 0.00 46.19 44.69 2gr1 s LEU 354 CO -0.00 0.28 -0.08 -0.63 0.23 0.00 0.00 176.35 176.15 2gr1 s ILE 355 N -0.86 0.93 -0.19 -0.59 1.01 -0.05 -0.72 121.20 120.73 2gr1 s ILE 355 Ca 0.14 -0.28 -0.11 0.00 0.00 0.00 0.00 60.65 60.39 2gr1 s ILE 355 Cb -0.10 -0.93 -0.05 0.00 0.01 0.00 0.00 42.46 41.39 2gr1 s ILE 355 CO 0.04 0.34 0.19 -1.61 0.00 0.00 0.00 174.94 173.89 2gr1 s GLU 356 N 1.35 4.20 0.09 2.79 0.41 0.14 -0.33 118.70 127.34 2gr1 s GLU 356 Ca -0.02 -0.12 0.09 0.00 -0.41 0.00 0.00 54.97 54.51 2gr1 s GLU 356 Cb -0.14 -3.44 -0.03 0.00 -1.78 0.00 0.00 34.13 28.74 2gr1 s GLU 356 CO -0.04 0.25 -0.24 -0.51 -0.49 0.00 0.00 175.26 174.24 2gr1 s LEU 357 N 0.49 2.25 -0.09 1.80 1.02 -0.19 -0.53 118.68 123.44 2gr1 s LEU 357 Ca 0.11 -0.65 -0.01 0.00 0.02 0.00 0.00 54.13 53.59 2gr1 s LEU 357 Cb -0.12 -1.07 0.03 0.00 0.02 0.00 0.00 46.19 45.05 2gr1 s LEU 357 CO 0.01 0.15 -0.00 -1.58 0.02 0.00 0.00 176.35 174.95 2gr1 s GLN 358 N -1.67 0.68 -1.62 1.70 2.00 0.63 -0.14 119.66 121.24 2gr1 s GLN 358 Ca 0.10 0.03 -0.12 0.00 -2.00 0.00 0.00 55.36 53.37 2gr1 s GLN 358 Cb -0.10 -1.14 0.10 0.00 0.80 0.00 0.00 33.01 32.68 2gr1 s GLN 358 CO 0.04 -0.34 0.57 1.63 -0.50 0.00 0.00 175.29 176.70 2gr1 n LYS 359 N 5.12 -2.73 0.00 1.67 5.02 -1.26 -0.95 118.16 125.04 2gr1 n LYS 359 Ca -0.08 0.33 0.00 0.00 -2.02 0.00 0.00 58.31 56.54 2gr1 n LYS 359 Cb 0.50 -4.72 0.00 0.00 -0.02 0.00 0.00 35.03 30.78 2gr1 n LYS 359 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2gr1 n GLY 360 N -1.68 2.60 3.78 0.72 0.00 -1.26 -5.01 105.19 104.34 2gr1 n GLY 360 Ca -0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.56 2gr1 n GLY 360 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2gr1 s ARG 361 N -0.29 4.11 -0.02 1.61 3.52 -0.12 -4.26 118.95 123.50 2gr1 s ARG 361 Ca 0.00 0.39 -0.30 0.00 -0.13 0.00 0.00 55.73 55.69 2gr1 s ARG 361 Cb 0.00 -3.32 -0.06 0.00 -1.56 0.00 0.00 34.95 30.01 2gr1 s ARG 361 CO 0.00 0.45 1.58 0.42 -0.81 0.00 0.00 175.30 176.94 2gr1 s ILE 362 N -0.31 3.52 -0.02 4.11 1.01 -0.46 -0.27 121.20 128.77 2gr1 s ILE 362 Ca 0.24 0.78 0.00 0.00 0.00 0.00 0.00 60.65 61.67 2gr1 s ILE 362 Cb -0.16 -3.50 -0.00 0.00 0.01 0.00 0.00 42.46 38.81 2gr1 s ILE 362 CO 0.11 -0.04 0.15 1.33 0.00 0.00 0.00 174.94 176.50 2gr1 n VAL 363 N 5.12 0.00 -3.54 2.92 0.24 0.31 -4.62 118.33 118.75 2gr1 n VAL 363 Ca 0.16 -0.49 -0.08 0.00 -2.04 0.00 0.00 64.34 61.88 2gr1 n VAL 363 Cb 0.43 1.00 -0.03 0.00 -1.47 0.00 0.00 33.84 33.77 2gr1 n VAL 363 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2gr1 s GLY 364 N -0.75 -0.38 0.03 7.63 0.00 -1.07 -0.39 107.32 112.38 2gr1 s GLY 364 Ca 0.00 1.37 -0.15 0.00 0.00 0.00 0.00 44.72 45.94 2gr1 s GLY 364 CO 0.01 0.54 0.34 0.00 0.00 0.00 0.00 173.10 173.98 2gr1 s ALA 365 N -2.51 -0.79 -0.02 3.20 0.00 -0.48 0.27 121.76 121.43 2gr1 s ALA 365 Ca 0.04 0.16 0.02 0.00 0.00 0.00 0.00 51.96 52.19 2gr1 s ALA 365 Cb -0.01 0.27 0.00 0.00 0.00 0.00 0.00 23.12 23.38 2gr1 s ALA 365 CO -0.06 -0.39 -0.07 0.99 0.00 0.00 0.00 175.76 176.23 2gr1 s THR 366 N -2.25 0.60 -0.08 0.00 2.01 0.10 -0.43 115.64 115.59 2gr1 s THR 366 Ca -0.07 -0.29 0.04 0.00 0.31 0.00 0.00 61.69 61.68 2gr1 s THR 366 Cb -0.02 -0.53 0.00 0.00 0.01 0.00 0.00 72.50 71.97 2gr1 s THR 366 CO -0.01 0.19 -0.19 0.00 -0.69 0.00 0.00 174.62 173.92 2gr1 s VAL 368 N 0.39 3.02 -1.48 0.00 1.01 0.33 -0.54 120.40 123.13 2gr1 s VAL 368 Ca -0.14 -0.98 -0.10 0.00 0.00 0.00 0.00 61.98 60.75 2gr1 s VAL 368 Cb -0.16 -2.54 0.06 0.00 0.00 0.00 0.00 36.38 33.74 2gr1 s VAL 368 CO 0.06 0.18 0.88 0.59 0.00 0.00 0.00 175.10 176.81 2gr1 n ASN 369 N 4.69 -3.65 -2.76 3.32 3.02 0.13 -2.00 115.26 118.01 2gr1 n ASN 369 Ca -0.16 -0.81 -0.10 0.00 -0.03 0.00 0.00 54.58 53.48 2gr1 n ASN 369 Cb 0.47 -3.83 0.05 0.00 -0.61 0.00 0.00 39.78 35.87 2gr1 n ASN 369 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2gr1 n ASN 370 N -2.89 0.02 -0.18 6.41 5.15 -1.26 -4.79 115.26 117.72 2gr1 n ASN 370 Ca -0.06 -2.79 0.14 0.00 -0.60 0.00 0.00 54.58 51.27 2gr1 n ASN 370 Cb 0.57 0.14 0.46 0.00 -0.53 0.00 0.00 39.78 40.42 2gr1 n ASN 370 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2gr1 h ALA 371 N 2.72 2.01 -0.93 5.20 0.00 -1.91 -1.70 119.26 124.64 2gr1 h ALA 371 Ca -0.12 0.00 0.12 0.00 0.00 0.00 0.00 54.91 54.91 2gr1 h ALA 371 Cb 1.17 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.80 2gr1 h ALA 371 CO 0.30 -0.21 0.60 -0.09 0.00 0.00 0.00 179.25 179.85 2gr1 h ARG 372 N 0.51 0.85 0.00 0.00 2.43 -2.02 -1.86 114.38 114.29 2gr1 h ARG 372 Ca 0.38 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.48 2gr1 h ARG 372 Cb 0.75 -0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 30.10 2gr1 h ARG 372 CO -0.13 0.56 -0.15 -0.44 -1.51 0.00 0.00 179.97 178.30 2gr1 h ASP 373 N 0.87 0.00 -0.26 -3.80 3.32 -1.74 -3.38 116.42 111.43 2gr1 h ASP 373 Ca 0.45 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.43 2gr1 h ASP 373 Cb 0.52 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.06 2gr1 h ASP 373 CO -0.22 0.06 -0.11 0.15 -1.72 0.00 0.00 179.24 177.41 2gr1 h PHE 374 N 0.00 0.62 -0.09 4.55 3.57 -1.33 -2.68 116.94 121.58 2gr1 h PHE 374 Ca -0.00 -0.15 0.00 0.00 3.53 0.00 0.00 57.97 61.35 2gr1 h PHE 374 Cb 1.05 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 39.64 2gr1 h PHE 374 CO 0.00 0.78 0.06 0.00 -2.23 0.00 0.00 178.31 176.92 2gr1 h ALA 375 N 0.75 0.11 -0.79 2.41 0.00 -1.74 -0.44 119.26 119.56 2gr1 h ALA 375 Ca 0.06 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.01 2gr1 h ALA 375 Cb 0.61 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.31 2gr1 h ALA 375 CO 0.04 -0.39 0.49 -1.35 0.00 0.00 0.00 179.25 178.03 2gr1 h PRO 376 N 0.11 0.89 -0.62 0.00 0.11 -1.78 -2.22 132.00 128.49 2gr1 h PRO 376 Ca 0.03 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 66.05 2gr1 h PRO 376 Cb -0.01 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 30.87 2gr1 h PRO 376 CO -0.01 0.59 0.21 -0.07 -0.21 0.00 0.00 178.00 178.51 2gr1 h LEU 377 N 0.91 0.86 -1.14 2.35 3.38 -1.11 -1.17 115.31 119.40 2gr1 h LEU 377 Ca 0.34 -0.13 -0.07 0.00 0.09 0.00 0.00 57.88 58.10 2gr1 h LEU 377 Cb 0.11 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 2gr1 h LEU 377 CO -0.15 0.80 -0.15 0.03 0.09 0.00 0.00 178.44 179.06 2gr1 h ARG 378 N 0.91 0.42 -0.23 1.13 3.08 -0.74 0.10 114.38 119.06 2gr1 h ARG 378 Ca 0.21 -0.12 -0.05 0.00 0.07 0.00 0.00 59.98 60.08 2gr1 h ARG 378 Cb 0.23 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 2gr1 h ARG 378 CO -0.01 0.57 -0.05 -0.09 -1.07 0.00 0.00 179.97 179.32 2gr1 h ARG 379 N 0.39 0.44 -0.73 0.04 9.65 -0.91 -0.94 114.38 122.32 2gr1 h ARG 379 Ca 0.07 -0.16 -0.02 0.00 -1.10 0.00 0.00 59.98 58.77 2gr1 h ARG 379 Cb 0.50 -0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 29.01 2gr1 h ARG 379 CO 0.03 0.67 0.39 -0.07 2.80 0.00 0.00 179.97 183.79 2gr1 h LEU 380 N 0.18 0.92 -0.47 3.80 3.38 -1.03 -2.51 115.31 119.59 2gr1 h LEU 380 Ca 0.06 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 57.94 2gr1 h LEU 380 Cb 0.50 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 2gr1 h LEU 380 CO 0.02 0.76 0.29 0.25 0.09 0.00 0.00 178.44 179.86 2gr1 h LEU 381 N 1.01 0.49 -1.46 1.67 5.85 -0.73 -0.98 115.31 121.16 2gr1 h LEU 381 Ca 0.26 -0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.99 2gr1 h LEU 381 Cb 0.06 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 2gr1 h LEU 381 CO -0.04 0.35 0.38 0.00 -0.34 0.00 0.00 178.44 178.79 2gr1 h ALA 382 N 1.19 1.63 -0.15 1.25 0.00 -0.72 -1.97 119.26 120.49 2gr1 h ALA 382 Ca 0.18 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2gr1 h ALA 382 Cb -0.02 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.55 2gr1 h ALA 382 CO -0.06 0.33 0.00 1.33 0.00 0.00 0.00 179.25 180.85 2gr1 n VAL 383 N -4.46 0.18 -3.41 0.00 0.24 -1.10 -4.96 118.33 104.83 2gr1 n VAL 383 Ca 0.06 -0.48 -0.19 0.00 -2.04 0.00 0.00 64.34 61.69 2gr1 n VAL 383 Cb 0.08 0.91 0.08 0.00 -1.47 0.00 0.00 33.84 33.43 2gr1 n VAL 383 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2gr1 n GLY 384 N 1.31 -0.35 3.76 7.63 0.00 -0.74 -4.95 105.19 111.85 2gr1 n GLY 384 Ca 0.17 0.12 -0.38 0.00 0.00 0.00 0.00 46.02 45.93 2gr1 n GLY 384 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gr1 s ALA 385 N -3.31 2.84 -0.63 4.61 0.00 -0.40 -4.66 121.76 120.21 2gr1 s ALA 385 Ca 0.29 1.19 0.06 0.00 0.00 0.00 0.00 51.96 53.50 2gr1 s ALA 385 Cb -0.13 -3.50 0.24 0.00 0.00 0.00 0.00 23.12 19.73 2gr1 s ALA 385 CO 0.66 -1.15 0.70 1.63 0.00 0.00 0.00 175.76 177.60 2gr1 n LYS 386 N -0.92 2.34 -1.62 0.00 5.02 -1.26 -1.36 118.16 120.36 2gr1 n LYS 386 Ca 0.10 -4.57 -0.31 0.00 -2.02 0.00 0.00 58.31 51.51 2gr1 n LYS 386 Cb 0.46 -2.21 0.05 0.00 -0.02 0.00 0.00 35.03 33.32 2gr1 n LYS 386 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 2gr1 s PRO 387 N -2.28 2.91 0.01 1.97 0.02 -1.26 -4.96 135.00 131.42 2gr1 s PRO 387 Ca 0.38 0.87 -0.33 0.00 0.02 0.00 0.00 61.00 61.94 2gr1 s PRO 387 Cb 0.13 -1.99 -0.12 0.00 0.02 0.00 0.00 34.50 32.54 2gr1 s PRO 387 CO -0.04 -1.10 1.81 -3.47 -0.33 0.00 0.00 177.00 173.88 2gr1 n ASP 388 N -3.12 3.53 -0.16 2.53 2.03 -1.26 -4.89 116.55 115.21 2gr1 n ASP 388 Ca 0.07 0.99 -0.03 0.00 0.52 0.00 0.00 54.79 56.35 2gr1 n ASP 388 Cb 0.54 -1.43 0.18 0.00 -0.72 0.00 0.00 41.12 39.70 2gr1 n ASP 388 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 2gr1 h ARG 389 N 8.47 0.90 -0.47 -0.67 -0.00 -1.95 0.31 114.38 120.96 2gr1 h ARG 389 Ca -0.47 -0.16 -0.00 0.00 -0.50 0.00 0.00 59.98 58.84 2gr1 h ARG 389 Cb 1.26 -0.15 -0.02 0.00 0.00 0.00 0.00 29.97 31.06 2gr1 h ARG 389 CO 0.93 0.76 0.29 0.00 0.00 0.00 0.00 179.97 181.95 2gr1 h ALA 390 N 1.35 0.60 -0.74 0.04 0.00 -1.99 -1.42 119.26 117.10 2gr1 h ALA 390 Ca 0.20 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 2gr1 h ALA 390 Cb 0.23 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 2gr1 h ALA 390 CO -0.01 0.09 0.27 0.00 0.00 0.00 0.00 179.25 179.60 2gr1 h ALA 391 N 1.14 0.96 -0.41 0.00 0.00 -1.76 -0.55 119.26 118.65 2gr1 h ALA 391 Ca 0.17 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 2gr1 h ALA 391 Cb -0.01 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 2gr1 h ALA 391 CO -0.03 0.61 0.16 -0.07 0.00 0.00 0.00 179.25 179.91 2gr1 h LEU 392 N 1.07 0.52 0.06 0.00 3.38 -0.66 -2.94 115.31 116.74 2gr1 h LEU 392 Ca 0.24 -0.05 -0.28 0.00 0.09 0.00 0.00 57.88 57.88 2gr1 h LEU 392 Cb 0.25 -0.13 0.02 0.00 0.09 0.00 0.00 40.66 40.89 2gr1 h LEU 392 CO -0.02 0.48 -1.18 0.00 0.09 0.00 0.00 178.44 177.81 2gr1 h ALA 393 N 1.60 0.09 -2.45 1.53 0.00 -0.86 -3.46 119.26 115.72 2gr1 h ALA 393 Ca 0.14 -0.78 -0.53 0.00 0.00 0.00 0.00 54.91 53.75 2gr1 h ALA 393 Cb 0.12 0.07 0.03 0.00 0.00 0.00 0.00 17.79 18.01 2gr1 h ALA 393 CO -0.01 0.76 1.17 0.34 0.00 0.00 0.00 179.25 181.50 2gr1 s ASP 394 N -7.31 6.43 0.44 0.00 -1.08 -0.25 -4.81 116.67 110.08 2gr1 s ASP 394 Ca -0.08 2.74 0.30 0.00 -0.52 0.00 0.00 52.55 54.99 2gr1 s ASP 394 Cb 0.06 -2.55 1.35 0.00 -1.46 0.00 0.00 42.92 40.32 2gr1 s ASP 394 CO 0.91 -1.03 1.90 1.55 0.52 0.00 0.00 175.17 179.03 2gr1 h PRO 395 N 9.42 0.00 0.00 4.34 0.13 -1.89 -2.34 132.00 141.66 2gr1 h PRO 395 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2gr1 h PRO 395 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2gr1 h PRO 395 CO 0.95 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.72 2gr1 h ALA 396 N 2.10 1.00 -2.65 -0.56 0.00 -1.92 -3.45 119.26 113.78 2gr1 h ALA 396 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.38 2gr1 h ALA 396 Cb 0.34 0.00 0.04 0.00 0.00 0.00 0.00 17.79 18.17 2gr1 h ALA 396 CO 0.00 0.00 0.77 0.99 0.00 0.00 0.00 179.25 181.01 2gr1 s THR 397 N -3.41 2.90 -0.34 0.00 2.01 -0.88 -5.00 115.64 110.92 2gr1 s THR 397 Ca 0.05 0.69 -0.15 0.00 0.31 0.00 0.00 61.69 62.58 2gr1 s THR 397 Cb 0.08 -3.44 -0.01 0.00 0.01 0.00 0.00 72.50 69.13 2gr1 s THR 397 CO 0.58 0.08 0.36 -0.62 -0.69 0.00 0.00 174.62 174.33 2gr1 s ASP 398 N 0.76 6.18 0.25 3.53 3.68 -1.26 -4.98 116.67 124.83 2gr1 s ASP 398 Ca 0.63 -0.21 0.01 0.00 2.13 0.00 0.00 52.55 55.11 2gr1 s ASP 398 Cb -0.40 -2.20 0.32 0.00 -1.45 0.00 0.00 42.92 39.19 2gr1 s ASP 398 CO 0.36 -0.33 1.66 -0.07 0.13 0.00 0.00 175.17 176.91 2gr1 h LEU 399 N 8.75 0.52 -0.78 -1.34 3.38 -1.96 -1.91 115.31 121.96 2gr1 h LEU 399 Ca -0.30 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.45 2gr1 h LEU 399 Cb 1.14 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.71 2gr1 h LEU 399 CO 0.69 0.82 0.43 -0.09 0.09 0.00 0.00 178.44 180.38 2gr1 h ARG 400 N 0.43 1.09 -0.40 1.13 9.65 -1.93 0.97 114.38 125.32 2gr1 h ARG 400 Ca 0.05 -0.13 -0.06 0.00 -1.10 0.00 0.00 59.98 58.74 2gr1 h ARG 400 Cb 0.79 -0.21 -0.02 0.00 -1.39 0.00 0.00 29.97 29.14 2gr1 h ARG 400 CO 0.06 0.81 -0.01 0.87 2.80 0.00 0.00 179.97 184.50 2gr1 h LYS 401 N 1.08 0.64 -0.23 0.20 6.56 -1.93 -1.15 116.57 121.75 2gr1 h LYS 401 Ca 0.27 -0.16 -0.12 0.00 -1.06 0.00 0.00 60.65 59.59 2gr1 h LYS 401 Cb 0.03 -0.08 -0.00 0.00 -0.57 0.00 0.00 32.23 31.61 2gr1 h LYS 401 CO -0.04 0.67 -0.32 1.25 -2.06 0.00 0.00 179.45 178.94 2gr1 h LEU 402 N 0.61 0.68 -1.29 2.94 5.85 -0.67 -2.14 115.31 121.29 2gr1 h LEU 402 Ca 0.12 -0.51 -0.07 0.00 0.84 0.00 0.00 57.88 58.26 2gr1 h LEU 402 Cb 0.40 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 2gr1 h LEU 402 CO 0.02 1.06 -0.33 0.00 -0.34 0.00 0.00 178.44 178.84 2gr1 h ALA 403 N 0.64 1.41 -0.00 1.25 0.00 -0.72 -2.80 119.26 119.04 2gr1 h ALA 403 Ca 0.02 -0.31 -0.16 0.00 0.00 0.00 0.00 54.91 54.46 2gr1 h ALA 403 Cb 0.91 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 2gr1 h ALA 403 CO 0.08 0.44 -0.76 0.00 0.00 0.00 0.00 179.25 179.01 2gr1 h ALA 404 N 1.63 0.75 0.00 0.00 0.00 -1.14 -3.25 119.26 117.24 2gr1 h ALA 404 Ca 0.00 -0.68 -0.09 0.00 0.00 0.00 0.00 54.91 54.14 2gr1 h ALA 404 Cb 0.61 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2gr1 h ALA 404 CO 0.04 0.93 -0.43 0.00 0.00 0.00 0.00 179.25 179.80 2gr1 h ALA 405 N 1.23 1.23 0.00 0.00 0.00 -1.11 -3.51 119.26 117.10 2gr1 h ALA 405 Ca -0.01 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2gr1 h ALA 405 Cb 1.34 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2gr1 h ALA 405 CO 0.10 0.54 0.00 0.28 0.00 0.00 0.00 179.25 180.17