#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dwi n THR 2 N 0.00 2.56 -3.95 2.03 -2.24 -1.26 -5.04 114.28 106.38 3dwi n THR 2 Ca 0.00 -4.56 -0.35 0.00 -2.27 0.00 0.00 64.05 56.87 3dwi n THR 2 Cb 0.00 -1.22 -0.14 0.00 -2.10 0.00 0.00 70.33 66.87 3dwi n THR 2 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3dwi s ARG 3 N -3.61 3.22 0.02 -0.78 3.52 -1.26 -5.12 118.95 114.95 3dwi s ARG 3 Ca 0.50 -0.72 0.07 0.00 -0.13 0.00 0.00 55.73 55.45 3dwi s ARG 3 Cb 0.41 -2.94 -0.03 0.00 -1.56 0.00 0.00 34.95 30.83 3dwi s ARG 3 CO -0.12 -0.24 -0.19 0.71 -0.81 0.00 0.00 175.30 174.66 3dwi s TYR 4 N 1.42 2.54 0.09 5.12 1.51 -1.26 -5.02 117.35 121.76 3dwi s TYR 4 Ca 0.05 -0.27 0.07 0.00 -1.01 0.00 0.00 57.07 55.90 3dwi s TYR 4 Cb -0.14 -1.49 -0.22 0.00 -0.11 0.00 0.00 41.96 40.00 3dwi s TYR 4 CO -0.05 0.21 1.18 -0.44 -1.11 0.00 0.00 175.55 175.34 3dwi h ASP 5 N 4.77 0.04 -4.25 2.29 3.32 -1.99 -3.45 116.42 117.15 3dwi h ASP 5 Ca -0.47 -0.05 -0.57 0.00 0.02 0.00 0.00 57.03 55.96 3dwi h ASP 5 Cb 1.15 -0.01 -0.25 0.00 0.22 0.00 0.00 39.33 40.44 3dwi h ASP 5 CO 0.48 1.04 -0.84 -0.55 -1.72 0.00 0.00 179.24 177.65 3dwi s SER 6 N -6.67 2.47 0.37 6.45 0.15 -1.26 -5.01 113.70 110.20 3dwi s SER 6 Ca -0.00 -0.57 0.16 0.00 0.70 0.00 0.00 55.95 56.24 3dwi s SER 6 Cb 0.09 -0.18 1.05 0.00 -1.71 0.00 0.00 66.02 65.27 3dwi s SER 6 CO 0.83 0.13 1.74 0.25 1.20 0.00 0.00 173.24 177.38 3dwi h LEU 7 N 4.64 0.52 -1.66 3.45 6.46 -1.99 -1.67 115.31 125.06 3dwi h LEU 7 Ca -0.43 0.12 0.18 0.00 -0.12 0.00 0.00 57.88 57.62 3dwi h LEU 7 Cb 1.17 0.04 -0.05 0.00 -0.73 0.00 0.00 40.66 41.08 3dwi h LEU 7 CO 0.43 0.05 0.54 -0.07 -0.62 0.00 0.00 178.44 178.77 3dwi h LEU 8 N 0.43 0.30 -1.40 2.25 3.38 -1.96 0.34 115.31 118.64 3dwi h LEU 8 Ca 0.64 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.60 3dwi h LEU 8 Cb 1.51 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 42.22 3dwi h LEU 8 CO -0.40 0.14 -0.17 1.56 0.09 0.00 0.00 178.44 179.66 3dwi h GLN 9 N 0.31 0.00 -1.00 1.13 4.20 -1.71 -3.04 115.11 115.00 3dwi h GLN 9 Ca 0.40 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 59.11 3dwi h GLN 9 Cb 1.09 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.87 3dwi h GLN 9 CO -0.11 0.17 0.00 0.00 -0.67 0.00 0.00 178.83 178.22 3dwi n ALA 10 N -2.22 2.51 -2.82 3.87 0.00 0.12 -4.85 120.51 117.12 3dwi n ALA 10 Ca -0.00 -0.01 -0.36 0.00 0.00 0.00 0.00 53.44 53.06 3dwi n ALA 10 Cb 0.36 -1.00 -0.07 0.00 0.00 0.00 0.00 19.45 18.73 3dwi n ALA 10 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3dwi s LEU 11 N -0.01 4.15 0.00 0.00 2.96 -1.15 -4.16 118.68 120.47 3dwi s LEU 11 Ca 0.00 0.35 0.00 0.00 -0.22 0.00 0.00 54.13 54.26 3dwi s LEU 11 Cb 0.00 -2.01 0.00 0.00 0.50 0.00 0.00 46.19 44.68 3dwi s LEU 11 CO 0.00 0.37 0.00 0.61 -1.32 0.00 0.00 176.35 176.01 3dwi n GLY 12 N 2.25 0.44 4.22 7.98 0.00 -1.26 -4.88 105.19 113.93 3dwi n GLY 12 Ca -0.19 -0.89 -0.35 0.00 0.00 0.00 0.00 46.02 44.59 3dwi n GLY 12 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3dwi n ASN 13 N -2.19 -2.77 -4.80 1.61 3.02 -1.26 -4.91 115.26 103.97 3dwi n ASN 13 Ca 0.00 -1.03 -0.35 0.00 -0.03 0.00 0.00 54.58 53.17 3dwi n ASN 13 Cb 0.00 -2.69 -0.06 0.00 -0.61 0.00 0.00 39.78 36.42 3dwi n ASN 13 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3dwi s THR 14 N -3.40 4.10 0.54 3.41 -4.23 -1.26 -4.98 115.64 109.82 3dwi s THR 14 Ca 0.64 1.49 -0.20 0.00 -1.18 0.00 0.00 61.69 62.45 3dwi s THR 14 Cb -0.35 -3.71 -0.06 0.00 1.34 0.00 0.00 72.50 69.71 3dwi s THR 14 CO 0.93 -0.10 1.13 -2.16 -0.54 0.00 0.00 174.62 173.88 3dwi s PRO 15 N -2.71 3.39 -0.30 3.99 0.04 -1.26 -4.73 135.00 133.42 3dwi s PRO 15 Ca 0.58 1.63 -0.04 0.00 0.04 0.00 0.00 61.00 63.21 3dwi s PRO 15 Cb -0.16 -2.04 0.03 0.00 0.04 0.00 0.00 34.50 32.38 3dwi s PRO 15 CO 0.20 -0.82 0.03 -1.17 0.04 0.00 0.00 177.00 175.28 3dwi s LEU 16 N -3.73 3.84 -0.09 -3.56 2.96 -1.26 -0.81 118.68 116.03 3dwi s LEU 16 Ca 0.72 -1.04 0.02 0.00 -0.22 0.00 0.00 54.13 53.60 3dwi s LEU 16 Cb -0.24 -1.77 -0.02 0.00 0.50 0.00 0.00 46.19 44.65 3dwi s LEU 16 CO 0.28 -0.24 -0.13 0.68 -1.32 0.00 0.00 176.35 175.62 3dwi s VAL 17 N 1.35 3.09 0.30 1.68 -7.23 -0.04 -4.88 120.40 114.66 3dwi s VAL 17 Ca -0.02 -0.68 -0.29 0.00 -1.81 0.00 0.00 61.98 59.18 3dwi s VAL 17 Cb -0.19 -2.25 -0.10 0.00 0.56 0.00 0.00 36.38 34.41 3dwi s VAL 17 CO -0.00 0.56 1.14 -0.83 -0.31 0.00 0.00 175.10 175.66 3dwi s GLY 18 N -0.21 3.04 -1.08 2.32 0.00 -1.26 -0.23 107.32 109.89 3dwi s GLY 18 Ca 0.01 0.96 -0.07 0.00 0.00 0.00 0.00 44.72 45.62 3dwi s GLY 18 CO 0.03 1.57 1.11 1.04 0.00 0.00 0.00 173.10 176.85 3dwi n LEU 19 N 1.03 5.44 -0.26 0.66 4.77 0.70 -4.89 117.00 124.45 3dwi n LEU 19 Ca -0.01 -5.07 0.02 0.00 -0.03 0.00 0.00 56.01 50.92 3dwi n LEU 19 Cb 0.44 -1.40 0.24 0.00 -2.33 0.00 0.00 43.42 40.37 3dwi n LEU 19 CO 0.55 1.42 1.25 1.56 -1.33 0.00 0.00 177.39 180.83 3dwi h GLN 20 N 6.41 1.00 0.08 3.23 4.20 -1.93 0.15 115.11 128.25 3dwi h GLN 20 Ca 0.18 -0.06 -0.26 0.00 0.06 0.00 0.00 58.65 58.57 3dwi h GLN 20 Cb 0.83 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 28.38 3dwi h GLN 20 CO 1.03 0.66 -1.23 0.00 -0.67 0.00 0.00 178.83 178.62 3dwi h ARG 21 N 1.03 0.18 0.00 1.46 3.08 -1.90 -3.31 114.38 114.91 3dwi h ARG 21 Ca 0.33 -0.30 -0.14 0.00 0.07 0.00 0.00 59.98 59.93 3dwi h ARG 21 Cb 0.05 0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 3dwi h ARG 21 CO -0.10 1.11 -0.89 1.25 -1.07 0.00 0.00 179.97 180.27 3dwi h LEU 22 N 0.05 0.00 -9.51 3.04 5.85 -1.83 -3.46 115.31 109.45 3dwi h LEU 22 Ca -0.12 0.00 -0.53 0.00 0.84 0.00 0.00 57.88 58.07 3dwi h LEU 22 Cb 1.92 0.00 0.03 0.00 0.37 0.00 0.00 40.66 42.98 3dwi h LEU 22 CO 0.17 0.60 1.00 -0.44 -0.34 0.00 0.00 178.44 179.44 3dwi s SER 23 N -6.26 6.54 0.16 1.25 0.01 0.48 -4.86 113.70 111.02 3dwi s SER 23 Ca 0.01 2.60 -0.06 0.00 1.31 0.00 0.00 55.95 59.82 3dwi s SER 23 Cb 0.08 -2.57 0.25 0.00 0.21 0.00 0.00 66.02 63.99 3dwi s SER 23 CO 0.78 -0.91 0.92 -2.65 0.41 0.00 0.00 173.24 171.79 3dwi n PRO 24 N 5.19 -0.07 -3.27 12.44 -0.02 -1.23 -3.98 135.00 144.06 3dwi n PRO 24 Ca 0.16 0.92 -0.06 0.00 -2.02 0.00 0.00 63.50 62.50 3dwi n PRO 24 Cb 0.39 -1.37 -0.05 0.00 -0.02 0.00 0.00 33.50 32.45 3dwi n PRO 24 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 3dwi s ARG 25 N -5.71 0.44 0.18 -0.52 3.52 -0.80 -4.92 118.95 111.14 3dwi s ARG 25 Ca -0.09 0.34 -0.10 0.00 -0.13 0.00 0.00 55.73 55.75 3dwi s ARG 25 Cb 0.15 -0.17 0.07 0.00 -1.56 0.00 0.00 34.95 33.44 3dwi s ARG 25 CO 0.45 -0.94 1.68 2.35 -0.81 0.00 0.00 175.30 178.03 3dwi h TRP 26 N 8.12 1.06 -3.33 5.12 2.91 -1.71 1.25 115.95 129.38 3dwi h TRP 26 Ca -0.10 -0.14 -0.68 0.00 1.13 0.00 0.00 58.89 59.11 3dwi h TRP 26 Cb 1.14 -0.29 -0.15 0.00 -0.51 0.00 0.00 29.16 29.34 3dwi h TRP 26 CO 0.23 0.90 -0.62 -0.51 -1.03 0.00 0.00 178.44 177.41 3dwi s ASP 27 N -6.36 5.21 0.31 2.65 1.01 -1.26 -4.76 116.67 113.48 3dwi s ASP 27 Ca -0.12 0.13 -0.30 0.00 0.71 0.00 0.00 52.55 52.97 3dwi s ASP 27 Cb 0.13 -1.50 -0.11 0.00 1.01 0.00 0.00 42.92 42.45 3dwi s ASP 27 CO 0.83 0.36 1.58 -1.81 0.21 0.00 0.00 175.17 176.34 3dwi s ASP 28 N -0.78 6.36 0.18 0.27 1.01 -1.26 -4.27 116.67 118.17 3dwi s ASP 28 Ca 0.12 2.98 0.04 0.00 0.71 0.00 0.00 52.55 56.40 3dwi s ASP 28 Cb -0.11 -2.64 -0.01 0.00 1.01 0.00 0.00 42.92 41.16 3dwi s ASP 28 CO 0.02 -0.91 0.14 0.61 0.21 0.00 0.00 175.17 175.23 3dwi n GLY 29 N 1.85 3.48 0.31 0.21 0.00 0.13 -4.88 105.19 106.29 3dwi n GLY 29 Ca 0.07 -1.82 0.04 0.00 0.00 0.00 0.00 46.02 44.30 3dwi n GLY 29 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3dwi h ARG 30 N 0.00 0.56 -0.01 1.61 -0.00 -2.02 -1.83 114.38 112.70 3dwi h ARG 30 Ca -0.13 -0.04 0.00 0.00 -0.50 0.00 0.00 59.98 59.31 3dwi h ARG 30 Cb 0.63 -0.12 0.00 0.00 0.00 0.00 0.00 29.97 30.48 3dwi h ARG 30 CO 0.19 0.38 0.00 -0.40 0.00 0.00 0.00 179.97 180.14 3dwi n ASP 31 N -4.46 0.04 0.00 7.04 3.85 -1.26 -4.99 116.55 116.76 3dwi n ASP 31 Ca 0.03 -1.96 0.00 0.00 -0.71 0.00 0.00 54.79 52.15 3dwi n ASP 31 Cb 0.06 -0.00 0.00 0.00 -1.35 0.00 0.00 41.12 39.83 3dwi n ASP 31 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3dwi n GLY 32 N 0.53 1.26 3.85 6.12 0.00 -0.69 -5.04 105.19 111.23 3dwi n GLY 32 Ca 0.01 -2.21 -0.31 0.00 0.00 0.00 0.00 46.02 43.51 3dwi n GLY 32 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3dwi s PRO 33 N -1.19 3.86 0.41 1.61 0.04 -1.26 0.22 135.00 138.68 3dwi s PRO 33 Ca 0.00 0.81 -0.26 0.00 0.04 0.00 0.00 61.00 61.59 3dwi s PRO 33 Cb 0.00 -2.19 -0.10 0.00 0.04 0.00 0.00 34.50 32.25 3dwi s PRO 33 CO 0.00 -0.25 1.26 -2.39 0.04 0.00 0.00 177.00 175.65 3dwi n HIS 34 N -1.68 2.10 -3.95 0.56 1.44 -1.26 -4.67 115.22 107.76 3dwi n HIS 34 Ca 0.05 0.51 -0.31 0.00 -2.01 0.00 0.00 57.72 55.97 3dwi n HIS 34 Cb 0.54 -2.37 -0.15 0.00 0.12 0.00 0.00 29.99 28.13 3dwi n HIS 34 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 3dwi s VAL 35 N -1.19 1.87 -0.15 0.61 1.01 0.43 -0.92 120.40 122.06 3dwi s VAL 35 Ca 0.60 -1.98 -0.02 0.00 0.00 0.00 0.00 61.98 60.58 3dwi s VAL 35 Cb -0.52 -2.34 -0.02 0.00 0.00 0.00 0.00 36.38 33.50 3dwi s VAL 35 CO 0.59 -0.54 -0.08 -0.13 0.00 0.00 0.00 175.10 174.94 3dwi s ARG 36 N 1.13 3.53 -0.12 2.72 0.52 0.23 -1.90 118.95 125.05 3dwi s ARG 36 Ca 0.08 -0.60 -0.17 0.00 -0.52 0.00 0.00 55.73 54.52 3dwi s ARG 36 Cb -0.19 -2.80 -0.04 0.00 0.52 0.00 0.00 34.95 32.44 3dwi s ARG 36 CO -0.12 0.19 0.45 -0.51 0.02 0.00 0.00 175.30 175.33 3dwi s LEU 37 N 0.45 4.27 -0.14 2.53 1.43 -1.26 0.92 118.68 126.89 3dwi s LEU 37 Ca -0.06 0.77 0.01 0.00 -1.03 0.00 0.00 54.13 53.82 3dwi s LEU 37 Cb -0.15 -2.64 0.02 0.00 0.03 0.00 0.00 46.19 43.44 3dwi s LEU 37 CO 0.04 0.02 -0.16 0.26 0.23 0.00 0.00 176.35 176.74 3dwi s TRP 38 N 0.57 2.25 -0.23 0.29 0.52 0.28 -0.22 118.94 122.40 3dwi s TRP 38 Ca 0.24 -1.21 -0.18 0.00 0.02 0.00 0.00 56.10 54.98 3dwi s TRP 38 Cb -0.15 -1.62 -0.03 0.00 -1.15 0.00 0.00 33.47 30.53 3dwi s TRP 38 CO 0.09 -0.62 0.50 0.00 0.02 0.00 0.00 176.95 176.94 3dwi s ALA 39 N 1.23 3.57 -0.64 0.98 0.00 0.68 0.11 121.76 127.69 3dwi s ALA 39 Ca 0.00 -0.53 -0.23 0.00 0.00 0.00 0.00 51.96 51.19 3dwi s ALA 39 Cb -0.14 -2.83 0.06 0.00 0.00 0.00 0.00 23.12 20.21 3dwi s ALA 39 CO -0.07 -0.60 0.99 0.21 0.00 0.00 0.00 175.76 176.29 3dwi s LYS 40 N 1.98 3.18 -1.18 0.00 2.47 0.79 -0.86 119.74 126.12 3dwi s LYS 40 Ca 0.22 -0.62 -0.21 0.00 -1.56 0.00 0.00 55.97 53.80 3dwi s LYS 40 Cb -0.15 -4.18 -0.06 0.00 -1.46 0.00 0.00 37.83 31.98 3dwi s LYS 40 CO 0.09 -1.76 1.90 1.28 0.16 0.00 0.00 175.35 177.02 3dwi n LEU 41 N 7.81 3.76 0.00 5.43 4.77 0.01 -1.29 117.00 137.49 3dwi n LEU 41 Ca -0.02 -3.35 0.09 0.00 -0.03 0.00 0.00 56.01 52.70 3dwi n LEU 41 Cb 0.46 -1.67 0.39 0.00 -2.33 0.00 0.00 43.42 40.28 3dwi n LEU 41 CO 0.65 -1.09 0.79 -0.62 -1.33 0.00 0.00 177.39 175.78 3dwi n GLU 42 N 8.08 0.01 0.28 3.23 -0.58 -0.06 -2.40 120.64 129.20 3dwi n GLU 42 Ca 0.47 0.18 0.17 0.00 -0.42 0.00 0.00 57.16 57.56 3dwi n GLU 42 Cb 0.45 -1.50 0.74 0.00 -0.57 0.00 0.00 31.44 30.57 3dwi n GLU 42 CO 0.00 0.00 0.00 0.38 -0.48 0.00 0.00 177.13 177.03 3dwi h ASP 43 N 0.00 0.00 0.00 1.62 2.03 -1.67 -2.81 116.42 115.59 3dwi h ASP 43 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3dwi h ASP 43 Cb 0.31 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.81 3dwi h ASP 43 CO 0.00 0.02 0.00 0.54 -1.03 0.00 0.00 179.24 178.77 3dwi n ARG 44 N -3.13 0.43 -2.93 4.15 5.12 -1.01 -3.75 116.66 115.54 3dwi n ARG 44 Ca -0.00 0.00 -0.29 0.00 -1.93 0.00 0.00 57.85 55.63 3dwi n ARG 44 Cb 0.28 -1.02 -0.02 0.00 -1.16 0.00 0.00 32.46 30.54 3dwi n ARG 44 CO 0.00 0.00 0.00 -0.80 -1.93 0.00 0.00 177.63 174.90 3dwi s ASN 45 N -1.47 6.43 0.00 0.55 0.01 -1.06 -4.89 114.94 114.50 3dwi s ASN 45 Ca 0.00 0.96 0.00 0.00 -0.71 0.00 0.00 52.86 53.11 3dwi s ASN 45 Cb 0.00 -2.25 0.00 0.00 0.41 0.00 0.00 41.25 39.41 3dwi s ASN 45 CO 0.00 -0.39 0.37 -2.65 -1.51 0.00 0.00 177.10 172.92 3dwi n PRO 46 N -1.48 0.00 0.00 -0.60 -0.02 -1.26 0.15 135.00 131.79 3dwi n PRO 46 Ca 0.01 0.37 0.14 0.00 -2.02 0.00 0.00 63.50 62.00 3dwi n PRO 46 Cb 0.54 -0.59 0.79 0.00 -0.02 0.00 0.00 33.50 34.22 3dwi n PRO 46 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3dwi n THR 47 N -1.97 0.05 -1.15 3.45 -2.24 -1.26 -4.87 114.28 106.28 3dwi n THR 47 Ca 0.00 0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 3dwi n THR 47 Cb 0.00 -0.56 0.00 0.00 -2.10 0.00 0.00 70.33 67.67 3dwi n THR 47 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dwi n GLY 48 N 0.92 0.90 3.29 3.38 0.00 0.39 -5.00 105.19 109.08 3dwi n GLY 48 Ca 0.18 -0.59 -0.13 0.00 0.00 0.00 0.00 46.02 45.48 3dwi n GLY 48 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3dwi s SER 49 N -2.64 -0.25 0.57 1.61 1.04 -1.24 -3.68 113.70 109.11 3dwi s SER 49 Ca 0.00 0.05 0.37 0.00 0.48 0.00 0.00 55.95 56.85 3dwi s SER 49 Cb 0.00 0.38 1.44 0.00 0.10 0.00 0.00 66.02 67.94 3dwi s SER 49 CO 0.00 -0.57 1.63 -0.29 0.98 0.00 0.00 173.24 174.99 3dwi h ILE 50 N 3.35 0.19 0.00 -1.02 6.09 -0.49 -2.83 117.51 122.81 3dwi h ILE 50 Ca -0.30 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.19 3dwi h ILE 50 Cb 1.19 0.23 0.00 0.00 0.47 0.00 0.00 36.82 38.71 3dwi h ILE 50 CO 0.42 0.00 0.00 0.29 -3.07 0.00 0.00 178.15 175.79 3dwi n LYS 51 N -3.80 0.06 -0.36 2.19 4.76 -1.26 -1.56 118.16 118.18 3dwi n LYS 51 Ca 0.28 0.20 -0.01 0.00 -2.87 0.00 0.00 58.31 55.91 3dwi n LYS 51 Cb 1.44 -1.59 0.14 0.00 -1.84 0.00 0.00 35.03 33.18 3dwi n LYS 51 CO 0.00 0.00 0.00 -0.44 -1.37 0.00 0.00 177.40 175.59 3dwi h ASP 52 N 0.00 1.11 0.28 4.39 3.32 -1.82 0.48 116.42 124.18 3dwi h ASP 52 Ca 0.00 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.02 3dwi h ASP 52 Cb 0.39 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 3dwi h ASP 52 CO 0.00 0.79 -0.36 0.03 -1.72 0.00 0.00 179.24 177.98 3dwi h ARG 53 N 1.30 -0.63 -0.96 3.56 3.08 -1.54 0.73 114.38 119.93 3dwi h ARG 53 Ca 0.37 0.04 0.05 0.00 0.07 0.00 0.00 59.98 60.51 3dwi h ARG 53 Cb -0.10 0.14 -0.06 0.00 0.08 0.00 0.00 29.97 30.03 3dwi h ARG 53 CO -0.09 -0.42 0.62 -1.35 -1.07 0.00 0.00 179.97 177.66 3dwi h PRO 54 N -0.65 1.12 0.23 0.04 0.11 -1.59 -1.67 132.00 129.59 3dwi h PRO 54 Ca -0.03 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 66.00 3dwi h PRO 54 Cb 0.59 -0.25 -0.00 0.00 0.11 0.00 0.00 31.00 31.44 3dwi h PRO 54 CO -0.09 0.74 -0.15 0.00 -0.21 0.00 0.00 178.00 178.30 3dwi h ALA 55 N 1.42 -0.35 -0.30 -0.75 0.00 0.37 0.62 119.26 120.27 3dwi h ALA 55 Ca 0.40 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.24 3dwi h ALA 55 Cb 0.09 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3dwi h ALA 55 CO -0.15 -0.71 0.18 0.28 0.00 0.00 0.00 179.25 178.85 3dwi h VAL 56 N -0.36 1.11 -0.53 0.00 2.07 -0.79 -1.69 116.25 116.06 3dwi h VAL 56 Ca -0.02 -0.27 0.01 0.00 0.82 0.00 0.00 66.70 67.24 3dwi h VAL 56 Cb 0.31 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 3dwi h VAL 56 CO 0.02 0.11 0.34 -0.09 0.02 0.00 0.00 177.57 177.97 3dwi h ARG 57 N 0.38 0.68 -0.18 1.57 9.65 -0.81 0.44 114.38 126.11 3dwi h ARG 57 Ca 0.11 -0.04 0.04 0.00 -1.10 0.00 0.00 59.98 58.99 3dwi h ARG 57 Cb 0.03 -0.15 -0.04 0.00 -1.39 0.00 0.00 29.97 28.41 3dwi h ARG 57 CO -0.02 0.45 -0.08 0.52 2.80 0.00 0.00 179.97 183.64 3dwi h MET 58 N 0.70 -0.05 0.86 0.20 2.86 0.51 0.47 114.93 120.48 3dwi h MET 58 Ca 0.20 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.80 3dwi h MET 58 Cb -0.06 0.01 0.01 0.00 0.06 0.00 0.00 31.60 31.62 3dwi h MET 58 CO -0.06 -0.03 -0.43 0.82 1.06 0.00 0.00 176.91 178.27 3dwi h ILE 59 N -0.05 0.00 -0.79 -1.22 2.04 -0.94 0.11 117.51 116.65 3dwi h ILE 59 Ca 0.10 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.13 3dwi h ILE 59 Cb 0.20 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.17 3dwi h ILE 59 CO -0.22 0.00 0.28 -0.33 0.00 0.00 0.00 178.15 177.88 3dwi h GLU 60 N -1.17 0.36 -0.58 2.37 5.08 0.15 0.39 114.58 121.18 3dwi h GLU 60 Ca -0.12 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.17 3dwi h GLU 60 Cb 0.90 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.04 3dwi h GLU 60 CO 0.18 0.24 0.16 0.37 -1.00 0.00 0.00 179.01 178.96 3dwi h GLN 61 N 0.37 0.89 -0.50 2.33 5.75 0.09 0.39 115.11 124.43 3dwi h GLN 61 Ca 0.46 -0.18 -0.09 0.00 -0.15 0.00 0.00 58.65 58.69 3dwi h GLN 61 Cb 0.78 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 29.18 3dwi h GLN 61 CO -0.48 0.79 -0.07 0.00 -2.65 0.00 0.00 178.83 176.42 3dwi h ALA 62 N 1.31 0.95 0.01 3.38 0.00 0.23 0.43 119.26 125.57 3dwi h ALA 62 Ca 0.19 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3dwi h ALA 62 Cb 0.28 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 3dwi h ALA 62 CO -0.00 0.62 -0.02 0.93 0.00 0.00 0.00 179.25 180.78 3dwi h GLU 63 N 0.80 -0.03 -0.51 0.00 5.08 0.11 0.12 114.58 120.15 3dwi h GLU 63 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 3dwi h GLU 63 Cb 0.57 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.81 3dwi h GLU 63 CO 0.03 -0.02 0.33 0.00 -1.00 0.00 0.00 179.01 178.35 3dwi h ALA 64 N 0.96 0.65 0.00 3.43 0.00 0.66 -0.70 119.26 124.26 3dwi h ALA 64 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3dwi h ALA 64 Cb 0.04 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.62 3dwi h ALA 64 CO -0.01 0.12 0.00 -0.25 0.00 0.00 0.00 179.25 179.11 3dwi n ASP 65 N -4.71 0.00 0.00 0.00 8.00 0.14 -4.76 116.55 115.22 3dwi n ASP 65 Ca 0.03 -0.87 0.00 0.00 0.71 0.00 0.00 54.79 54.65 3dwi n ASP 65 Cb 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.14 3dwi n ASP 65 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3dwi n GLY 66 N 0.29 0.28 0.08 0.44 0.00 -0.27 -4.85 105.19 101.16 3dwi n GLY 66 Ca 0.11 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.21 3dwi n GLY 66 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3dwi n LEU 67 N 0.00 0.34 -3.52 0.99 4.32 0.36 -4.59 117.00 114.90 3dwi n LEU 67 Ca 0.00 0.62 -0.29 0.00 -0.02 0.00 0.00 56.01 56.32 3dwi n LEU 67 Cb 0.22 -0.62 -0.12 0.00 -1.62 0.00 0.00 43.42 41.27 3dwi n LEU 67 CO 0.00 -0.61 -0.31 -0.22 -1.22 0.00 0.00 177.39 175.04 3dwi s LEU 68 N -3.83 1.32 0.15 2.23 2.96 -1.04 -4.88 118.68 115.59 3dwi s LEU 68 Ca 0.02 -2.25 -0.16 0.00 -0.22 0.00 0.00 54.13 51.52 3dwi s LEU 68 Cb 0.06 -0.53 -0.07 0.00 0.50 0.00 0.00 46.19 46.15 3dwi s LEU 68 CO 0.21 -0.31 0.58 -0.13 -1.32 0.00 0.00 176.35 175.38 3dwi s ARG 69 N 0.96 4.05 -0.07 1.98 0.52 -1.26 -4.58 118.95 120.54 3dwi s ARG 69 Ca 0.18 0.58 -0.27 0.00 -0.52 0.00 0.00 55.73 55.70 3dwi s ARG 69 Cb -0.23 -2.96 -0.13 0.00 0.52 0.00 0.00 34.95 32.15 3dwi s ARG 69 CO -0.00 0.48 0.77 -2.30 0.02 0.00 0.00 175.30 174.27 3dwi n PRO 70 N 0.90 0.00 -0.96 3.54 -0.02 -1.26 -1.39 135.00 135.80 3dwi n PRO 70 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.43 3dwi n PRO 70 Cb 0.52 -0.97 0.00 0.00 -0.02 0.00 0.00 33.50 33.02 3dwi n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dwi n GLY 71 N 1.33 0.37 3.67 -1.23 0.00 -1.08 -5.02 105.19 103.24 3dwi n GLY 71 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 3dwi n GLY 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dwi s ALA 72 N -1.86 1.26 -0.14 4.61 0.00 -0.49 -4.54 121.76 120.61 3dwi s ALA 72 Ca 0.00 0.10 -0.04 0.00 0.00 0.00 0.00 51.96 52.02 3dwi s ALA 72 Cb 0.00 -3.27 -0.03 0.00 0.00 0.00 0.00 23.12 19.82 3dwi s ALA 72 CO 0.00 -2.63 0.01 0.99 0.00 0.00 0.00 175.76 174.13 3dwi s THR 73 N -2.79 4.38 -0.09 0.00 2.01 -1.25 -1.93 115.64 115.97 3dwi s THR 73 Ca 0.65 -0.20 -0.17 0.00 0.31 0.00 0.00 61.69 62.28 3dwi s THR 73 Cb -0.20 -2.91 -0.05 0.00 0.01 0.00 0.00 72.50 69.35 3dwi s THR 73 CO 0.58 0.53 0.43 -0.63 -0.69 0.00 0.00 174.62 174.84 3dwi s ILE 74 N -0.11 5.15 -0.17 1.82 1.01 0.10 -0.91 121.20 128.10 3dwi s ILE 74 Ca 0.05 0.87 -0.02 0.00 0.00 0.00 0.00 60.65 61.54 3dwi s ILE 74 Cb -0.13 -3.76 -0.01 0.00 0.01 0.00 0.00 42.46 38.57 3dwi s ILE 74 CO 0.02 0.41 -0.10 -0.22 0.00 0.00 0.00 174.94 175.05 3dwi s LEU 75 N 0.09 2.78 -0.05 2.97 2.96 0.07 -0.20 118.68 127.31 3dwi s LEU 75 Ca 0.24 -0.35 -0.02 0.00 -0.22 0.00 0.00 54.13 53.78 3dwi s LEU 75 Cb -0.15 -1.66 0.04 0.00 0.50 0.00 0.00 46.19 44.91 3dwi s LEU 75 CO 0.10 0.09 0.10 -0.70 -1.32 0.00 0.00 176.35 174.63 3dwi s GLU 76 N 0.80 0.00 -0.95 1.98 2.56 -0.25 -3.10 118.70 119.73 3dwi s GLU 76 Ca -0.04 0.38 -0.24 0.00 0.00 0.00 0.00 54.97 55.08 3dwi s GLU 76 Cb -0.15 -0.30 0.04 0.00 2.00 0.00 0.00 34.13 35.72 3dwi s GLU 76 CO 0.01 -0.25 1.43 -1.25 -0.56 0.00 0.00 175.26 174.64 3dwi s PRO 77 N 1.70 3.47 0.05 4.30 0.04 -1.26 -1.01 135.00 142.30 3dwi s PRO 77 Ca -0.02 -0.90 -0.26 0.00 0.04 0.00 0.00 61.00 59.86 3dwi s PRO 77 Cb -0.12 -5.09 0.07 0.00 0.04 0.00 0.00 34.50 29.39 3dwi s PRO 77 CO -0.04 -2.22 0.61 -0.08 0.04 0.00 0.00 177.00 175.30 3dwi s THR 78 N 5.28 0.01 0.00 1.26 -1.32 -0.80 -4.78 115.64 115.28 3dwi s THR 78 Ca 0.44 -0.06 0.00 0.00 -1.21 0.00 0.00 61.69 60.86 3dwi s THR 78 Cb -0.02 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.98 3dwi s THR 78 CO -0.04 -0.03 0.17 -1.54 -2.21 0.00 0.00 174.62 170.97 3dwi n SER 79 N 0.30 0.34 0.00 8.08 3.41 -1.26 -4.32 113.62 120.16 3dwi n SER 79 Ca -0.18 -0.81 0.00 0.00 -0.26 0.00 0.00 58.87 57.62 3dwi n SER 79 Cb 0.61 0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.67 3dwi n SER 79 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3dwi n GLY 80 N 0.11 4.13 0.22 5.00 0.00 -1.26 -4.68 105.19 108.72 3dwi n GLY 80 Ca 0.00 -0.91 0.01 0.00 0.00 0.00 0.00 46.02 45.12 3dwi n GLY 80 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3dwi h ASN 81 N 0.00 0.17 -0.57 1.61 2.35 -1.98 0.58 115.58 117.74 3dwi h ASN 81 Ca 0.00 -0.05 -0.07 0.00 -0.55 0.00 0.00 56.30 55.63 3dwi h ASN 81 Cb 0.00 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.30 3dwi h ASN 81 CO 0.00 0.43 0.09 0.74 -1.65 0.00 0.00 177.43 177.04 3dwi h THR 82 N 0.16 1.26 -0.10 2.81 2.02 -1.94 0.66 112.91 117.77 3dwi h THR 82 Ca 0.03 -0.98 0.00 0.00 0.77 0.00 0.00 66.41 66.23 3dwi h THR 82 Cb 0.54 0.79 -0.01 0.00 -1.74 0.00 0.00 68.15 67.73 3dwi h THR 82 CO 0.04 0.36 0.07 1.23 0.37 0.00 0.00 175.52 177.58 3dwi h GLY 83 N 0.84 0.15 0.73 2.16 0.00 -1.27 0.45 103.07 106.13 3dwi h GLY 83 Ca 0.17 -0.06 0.02 0.00 0.00 0.00 0.00 47.33 47.46 3dwi h GLY 83 CO 0.01 0.06 -0.10 -2.22 0.00 0.00 0.00 176.54 174.29 3dwi h ILE 84 N 0.12 0.74 0.43 2.60 1.08 -0.81 0.94 117.51 122.62 3dwi h ILE 84 Ca 0.04 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.50 3dwi h ILE 84 Cb 0.01 0.74 -0.02 0.00 -3.07 0.00 0.00 36.82 34.48 3dwi h ILE 84 CO -0.01 0.00 -0.35 0.28 -0.69 0.00 0.00 178.15 177.38 3dwi h SER 85 N -0.17 -0.93 -0.93 1.72 0.02 0.72 -0.09 113.55 113.89 3dwi h SER 85 Ca 0.04 0.07 0.08 0.00 -0.84 0.00 0.00 61.79 61.14 3dwi h SER 85 Cb 0.22 0.30 -0.07 0.00 0.14 0.00 0.00 62.40 62.99 3dwi h SER 85 CO -0.11 -0.51 0.58 -0.07 -1.14 0.00 0.00 176.83 175.58 3dwi h LEU 86 N -0.78 0.89 0.20 5.07 3.38 0.02 0.31 115.31 124.40 3dwi h LEU 86 Ca -0.04 0.03 0.01 0.00 0.09 0.00 0.00 57.88 57.97 3dwi h LEU 86 Cb 0.68 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 3dwi h LEU 86 CO -0.02 0.54 -0.32 0.00 0.09 0.00 0.00 178.44 178.74 3dwi h ALA 87 N 1.46 -0.60 -0.66 1.53 0.00 0.20 1.13 119.26 122.32 3dwi h ALA 87 Ca 0.42 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 55.20 3dwi h ALA 87 Cb 0.27 0.50 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 3dwi h ALA 87 CO -0.20 -0.88 0.17 0.00 0.00 0.00 0.00 179.25 178.33 3dwi h MET 88 N -0.59 1.04 -0.01 0.00 -0.00 -0.60 -2.43 114.93 112.33 3dwi h MET 88 Ca 0.01 -0.23 -0.00 0.00 -0.00 0.00 0.00 59.70 59.48 3dwi h MET 88 Cb 0.59 -0.14 -0.00 0.00 -0.00 0.00 0.00 31.60 32.04 3dwi h MET 88 CO -0.14 0.92 0.01 0.00 -0.00 0.00 0.00 176.91 177.69 3dwi h ALA 89 N 1.18 0.02 0.69 -3.00 0.00 0.20 -1.03 119.26 117.32 3dwi h ALA 89 Ca 0.21 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 3dwi h ALA 89 Cb 0.34 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.13 3dwi h ALA 89 CO -0.00 -0.41 -0.34 0.00 0.00 0.00 0.00 179.25 178.50 3dwi h ALA 90 N 0.87 -1.25 -0.49 0.00 0.00 0.14 -0.88 119.26 117.64 3dwi h ALA 90 Ca 0.00 -0.20 0.10 0.00 0.00 0.00 0.00 54.91 54.81 3dwi h ALA 90 Cb 0.14 0.37 -0.10 0.00 0.00 0.00 0.00 17.79 18.19 3dwi h ALA 90 CO -0.00 -1.18 -0.17 0.00 0.00 0.00 0.00 179.25 177.90 3dwi h ARG 91 N -0.93 -0.05 -0.26 0.00 3.08 -1.32 0.49 114.38 115.39 3dwi h ARG 91 Ca -0.10 0.00 0.03 0.00 0.07 0.00 0.00 59.98 59.99 3dwi h ARG 91 Cb 0.72 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.77 3dwi h ARG 91 CO 0.15 -0.03 0.18 -0.07 -1.07 0.00 0.00 179.97 179.13 3dwi h LEU 92 N -0.05 0.18 -1.07 3.04 3.38 -1.12 -0.49 115.31 119.18 3dwi h LEU 92 Ca 0.23 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 3dwi h LEU 92 Cb 0.41 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3dwi h LEU 92 CO -0.53 0.13 0.00 0.29 0.09 0.00 0.00 178.44 178.41 3dwi n LYS 93 N -4.49 1.68 -1.00 1.13 5.02 0.14 -4.88 118.16 115.75 3dwi n LYS 93 Ca 0.02 -1.02 0.00 0.00 -2.02 0.00 0.00 58.31 55.29 3dwi n LYS 93 Cb 0.18 -1.24 0.00 0.00 -0.02 0.00 0.00 35.03 33.95 3dwi n LYS 93 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3dwi n GLY 94 N 0.92 0.49 3.98 0.72 0.00 -0.19 -4.86 105.19 106.25 3dwi n GLY 94 Ca 0.09 -0.07 -0.20 0.00 0.00 0.00 0.00 46.02 45.85 3dwi n GLY 94 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3dwi s TYR 95 N -2.00 3.24 0.13 1.61 2.02 0.54 -2.63 117.35 120.26 3dwi s TYR 95 Ca 0.00 -0.14 0.03 0.00 -0.37 0.00 0.00 57.07 56.60 3dwi s TYR 95 Cb 0.00 -1.85 -0.04 0.00 -0.40 0.00 0.00 41.96 39.67 3dwi s TYR 95 CO 0.00 0.14 0.17 1.03 -1.57 0.00 0.00 175.55 175.31 3dwi s ARG 96 N -4.12 3.09 -0.04 -0.62 1.81 -0.81 -2.94 118.95 115.31 3dwi s ARG 96 Ca 0.41 -0.72 0.03 0.00 -1.72 0.00 0.00 55.73 53.74 3dwi s ARG 96 Cb -0.09 -2.78 0.00 0.00 -0.45 0.00 0.00 34.95 31.62 3dwi s ARG 96 CO 0.31 0.53 -0.14 -1.17 -0.68 0.00 0.00 175.30 174.14 3dwi s LEU 97 N -2.91 1.82 -0.11 2.53 2.96 -1.26 0.03 118.68 121.73 3dwi s LEU 97 Ca 0.32 -0.30 0.01 0.00 -0.22 0.00 0.00 54.13 53.94 3dwi s LEU 97 Cb -0.11 -0.83 -0.02 0.00 0.50 0.00 0.00 46.19 45.74 3dwi s LEU 97 CO 0.25 0.10 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.61 3dwi s ILE 98 N 0.24 3.00 -0.21 6.68 1.01 0.72 -0.00 121.20 132.63 3dwi s ILE 98 Ca -0.06 -0.69 -0.09 0.00 0.00 0.00 0.00 60.65 59.80 3dwi s ILE 98 Cb -0.12 -2.24 -0.05 0.00 0.01 0.00 0.00 42.46 40.07 3dwi s ILE 98 CO 0.02 0.54 0.12 0.00 0.00 0.00 0.00 174.94 175.62 3dwi s VAL 100 N 0.61 5.26 0.01 0.00 1.01 -0.18 -1.20 120.40 125.92 3dwi s VAL 100 Ca 0.06 0.65 -0.21 0.00 0.00 0.00 0.00 61.98 62.48 3dwi s VAL 100 Cb -0.12 -3.69 0.04 0.00 0.00 0.00 0.00 36.38 32.61 3dwi s VAL 100 CO 0.01 0.34 0.46 0.00 0.00 0.00 0.00 175.10 175.91 3dwi s MET 101 N 0.76 0.90 0.54 2.72 0.23 -0.52 -1.91 119.30 122.02 3dwi s MET 101 Ca 0.18 -0.15 -0.22 0.00 -1.03 0.00 0.00 55.69 54.47 3dwi s MET 101 Cb -0.14 0.41 -0.05 0.00 -1.53 0.00 0.00 34.83 33.52 3dwi s MET 101 CO 0.06 -0.29 1.35 -1.25 -2.03 0.00 0.00 175.02 172.86 3dwi s PRO 102 N -1.86 3.18 0.31 3.16 0.04 -1.26 0.14 135.00 138.72 3dwi s PRO 102 Ca -0.09 2.21 0.08 0.00 0.04 0.00 0.00 61.00 63.24 3dwi s PRO 102 Cb -0.02 -2.27 0.82 0.00 0.04 0.00 0.00 34.50 33.07 3dwi s PRO 102 CO 0.02 -1.15 1.75 1.05 0.04 0.00 0.00 177.00 178.71 3dwi h GLU 103 N 1.50 0.63 -0.66 4.56 9.09 -1.67 0.14 114.58 128.17 3dwi h GLU 103 Ca -0.51 -0.04 0.19 0.00 0.05 0.00 0.00 59.36 59.06 3dwi h GLU 103 Cb 1.30 -0.14 -0.03 0.00 -1.65 0.00 0.00 28.75 28.23 3dwi h GLU 103 CO 0.57 0.42 0.64 -2.95 0.05 0.00 0.00 179.01 177.74 3dwi h ASN 104 N 0.65 0.00 -1.85 3.06 -1.07 -1.90 -3.45 115.58 111.02 3dwi h ASN 104 Ca 0.61 0.00 -0.66 0.00 0.07 0.00 0.00 56.30 56.33 3dwi h ASN 104 Cb 1.08 0.00 0.05 0.00 -2.07 0.00 0.00 38.32 37.38 3dwi h ASN 104 CO -0.44 0.00 0.65 0.41 0.07 0.00 0.00 177.43 178.12 3dwi n THR 105 N -3.76 0.08 -1.52 6.14 -1.04 0.48 -4.85 114.28 109.82 3dwi n THR 105 Ca 0.13 -0.01 -0.58 0.00 -2.04 0.00 0.00 64.05 61.55 3dwi n THR 105 Cb 0.88 -1.14 -0.08 0.00 -1.82 0.00 0.00 70.33 68.18 3dwi n THR 105 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 3dwi n SER 106 N 3.40 0.28 -0.25 8.00 2.88 -1.26 -4.84 113.62 121.83 3dwi n SER 106 Ca 0.19 1.15 0.01 0.00 -1.33 0.00 0.00 58.87 58.90 3dwi n SER 106 Cb 0.22 -0.97 0.09 0.00 -0.75 0.00 0.00 64.21 62.80 3dwi n SER 106 CO 0.00 0.00 0.00 1.62 -1.23 0.00 0.00 175.04 175.43 3dwi h VAL 107 N 3.04 0.28 -0.10 2.46 3.04 -1.96 -2.55 116.25 120.45 3dwi h VAL 107 Ca -0.50 -0.00 0.02 0.00 -1.01 0.00 0.00 66.70 65.20 3dwi h VAL 107 Cb 1.41 0.27 -0.04 0.00 -2.01 0.00 0.00 31.29 30.93 3dwi h VAL 107 CO 0.67 0.00 -0.32 1.05 -1.01 0.00 0.00 177.57 177.96 3dwi h GLU 108 N 0.01 -0.32 -0.79 4.17 -0.00 -1.97 1.39 114.58 117.07 3dwi h GLU 108 Ca 0.35 0.02 0.11 0.00 -0.00 0.00 0.00 59.36 59.85 3dwi h GLU 108 Cb 0.55 0.07 -0.13 0.00 -0.00 0.00 0.00 28.75 29.24 3dwi h GLU 108 CO -0.74 -0.21 -0.43 0.00 -0.00 0.00 0.00 179.01 177.63 3dwi h ARG 109 N -0.33 -0.10 -0.00 1.06 3.08 -1.78 0.39 114.38 116.69 3dwi h ARG 109 Ca 0.02 0.01 -0.20 0.00 0.07 0.00 0.00 59.98 59.88 3dwi h ARG 109 Cb 0.39 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 3dwi h ARG 109 CO -0.27 -0.07 -0.87 0.07 -1.07 0.00 0.00 179.97 177.76 3dwi h ARG 110 N -0.11 0.25 -0.83 0.04 0.11 -1.05 -1.23 114.38 111.55 3dwi h ARG 110 Ca 0.24 -0.26 -0.03 0.00 0.10 0.00 0.00 59.98 60.03 3dwi h ARG 110 Cb 0.55 0.07 -0.04 0.00 1.11 0.00 0.00 29.97 31.67 3dwi h ARG 110 CO -0.83 0.97 0.38 1.96 0.10 0.00 0.00 179.97 182.55 3dwi h GLN 111 N 0.14 1.20 0.21 0.08 1.08 0.30 0.17 115.11 118.29 3dwi h GLN 111 Ca -0.05 -0.19 0.01 0.00 -1.45 0.00 0.00 58.65 56.98 3dwi h GLN 111 Cb 1.49 -0.21 -0.03 0.00 -0.05 0.00 0.00 27.48 28.68 3dwi h GLN 111 CO 0.14 0.93 -0.35 -0.07 -0.95 0.00 0.00 178.83 178.53 3dwi h LEU 112 N 1.19 -0.98 -0.75 1.46 3.38 0.03 -1.12 115.31 118.51 3dwi h LEU 112 Ca 0.28 0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.35 3dwi h LEU 112 Cb 0.14 0.36 -0.04 0.00 0.09 0.00 0.00 40.66 41.21 3dwi h LEU 112 CO -0.03 -0.46 0.45 -0.07 0.09 0.00 0.00 178.44 178.42 3dwi h LEU 113 N -0.64 0.90 -0.81 1.67 3.38 -0.64 -0.85 115.31 118.33 3dwi h LEU 113 Ca 0.01 -0.06 0.05 0.00 0.09 0.00 0.00 57.88 57.96 3dwi h LEU 113 Cb 0.63 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 41.09 3dwi h LEU 113 CO -0.15 0.70 0.50 -0.33 0.09 0.00 0.00 178.44 179.26 3dwi h GLU 114 N 1.02 0.92 -0.75 1.13 5.08 -0.58 -1.55 114.58 119.86 3dwi h GLU 114 Ca 0.27 -0.06 0.09 0.00 -1.00 0.00 0.00 59.36 58.66 3dwi h GLU 114 Cb -0.03 -0.21 -0.07 0.00 0.50 0.00 0.00 28.75 28.94 3dwi h GLU 114 CO -0.05 0.61 0.41 -0.07 -1.00 0.00 0.00 179.01 178.91 3dwi h LEU 115 N 0.95 0.58 -0.03 1.33 3.38 0.14 -0.81 115.31 120.85 3dwi h LEU 115 Ca 0.34 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.36 3dwi h LEU 115 Cb 0.09 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3dwi h LEU 115 CO -0.14 0.34 0.00 -1.22 0.09 0.00 0.00 178.44 177.51 3dwi n TYR 116 N -4.79 0.00 -0.22 1.13 4.01 -0.71 -4.89 117.16 111.69 3dwi n TYR 116 Ca 0.12 -0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.85 3dwi n TYR 116 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.28 3dwi n TYR 116 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3dwi n GLY 117 N 0.89 0.66 3.78 2.72 0.00 -0.31 -4.37 105.19 108.55 3dwi n GLY 117 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 3dwi n GLY 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dwi s ALA 118 N -2.35 3.07 0.36 4.61 0.00 -0.66 -4.67 121.76 122.11 3dwi s ALA 118 Ca 0.00 0.82 -0.07 0.00 0.00 0.00 0.00 51.96 52.71 3dwi s ALA 118 Cb 0.00 -3.32 -0.06 0.00 0.00 0.00 0.00 23.12 19.74 3dwi s ALA 118 CO 0.00 -0.40 0.67 -0.65 0.00 0.00 0.00 175.76 175.38 3dwi s GLN 119 N -2.50 3.69 -0.04 0.00 -0.21 1.00 -4.10 119.66 117.50 3dwi s GLN 119 Ca 0.59 0.23 0.05 0.00 0.02 0.00 0.00 55.36 56.25 3dwi s GLN 119 Cb -0.26 -2.51 -0.01 0.00 1.00 0.00 0.00 33.01 31.24 3dwi s GLN 119 CO 0.32 0.07 -0.19 0.42 -2.12 0.00 0.00 175.29 173.79 3dwi s ILE 120 N -2.26 1.54 -0.06 1.08 1.01 -1.26 0.05 121.20 121.29 3dwi s ILE 120 Ca 0.47 -0.78 0.06 0.00 0.00 0.00 0.00 60.65 60.40 3dwi s ILE 120 Cb -0.10 -1.32 -0.01 0.00 0.01 0.00 0.00 42.46 41.04 3dwi s ILE 120 CO 0.31 0.44 -0.24 -0.63 0.00 0.00 0.00 174.94 174.82 3dwi s ILE 121 N -0.03 2.01 0.00 2.92 1.01 -0.34 -4.93 121.20 121.85 3dwi s ILE 121 Ca -0.03 -1.04 -0.15 0.00 0.00 0.00 0.00 60.65 59.44 3dwi s ILE 121 Cb -0.12 -1.71 -0.06 0.00 0.01 0.00 0.00 42.46 40.59 3dwi s ILE 121 CO 0.02 0.56 0.41 -0.36 0.00 0.00 0.00 174.94 175.57 3dwi s PHE 122 N -0.05 3.73 0.00 3.97 0.08 -1.25 -1.44 117.98 123.01 3dwi s PHE 122 Ca -0.07 0.99 0.00 0.00 0.12 0.00 0.00 56.93 57.97 3dwi s PHE 122 Cb -0.14 -2.28 0.00 0.00 -0.57 0.00 0.00 43.02 40.02 3dwi s PHE 122 CO 0.05 0.64 0.00 0.43 -0.10 0.00 0.00 175.22 176.24 3dwi n SER 123 N 1.79 0.00 0.00 1.36 7.64 0.38 -4.78 113.62 120.01 3dwi n SER 123 Ca -0.14 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.74 3dwi n SER 123 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 3dwi n SER 123 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3dwi n ALA 124 N -3.00 0.46 0.00 -0.43 0.00 -1.26 -3.14 120.51 113.14 3dwi n ALA 124 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3dwi n ALA 124 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3dwi n ALA 124 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dwi n GLY 127 N 1.44 0.03 0.00 0.00 0.00 -1.26 -3.97 105.19 101.43 3dwi n GLY 127 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.97 3dwi n GLY 127 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dwi n GLY 128 N 0.00 1.00 0.21 -0.02 0.00 -1.26 -4.95 105.19 100.16 3dwi n GLY 128 Ca 0.00 -0.07 -0.14 0.00 0.00 0.00 0.00 46.02 45.81 3dwi n GLY 128 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3dwi h SER 129 N 0.00 0.74 -0.66 1.61 0.02 -2.00 -3.29 113.55 109.97 3dwi h SER 129 Ca 0.00 -0.49 0.14 0.00 -0.84 0.00 0.00 61.79 60.59 3dwi h SER 129 Cb 0.00 -0.21 -0.11 0.00 0.14 0.00 0.00 62.40 62.22 3dwi h SER 129 CO 0.00 1.08 0.05 0.78 -1.14 0.00 0.00 176.83 177.61 3dwi h ASN 130 N 0.41 -0.19 -0.55 3.07 4.21 -1.98 0.21 115.58 120.76 3dwi h ASN 130 Ca 0.03 0.15 -0.01 0.00 1.21 0.00 0.00 56.30 57.69 3dwi h ASN 130 Cb 0.90 0.25 -0.03 0.00 -1.12 0.00 0.00 38.32 38.32 3dwi h ASN 130 CO 0.08 -0.09 0.32 0.71 -1.29 0.00 0.00 177.43 177.16 3dwi h THR 131 N 0.16 1.17 0.55 2.81 1.35 -1.93 1.81 112.91 118.83 3dwi h THR 131 Ca 0.35 -0.39 -0.03 0.00 -0.55 0.00 0.00 66.41 65.80 3dwi h THR 131 Cb 0.58 0.39 0.01 0.00 -1.73 0.00 0.00 68.15 67.40 3dwi h THR 131 CO -0.53 0.18 -0.26 0.00 -0.25 0.00 0.00 175.52 174.66 3dwi h ALA 132 N 1.58 -0.74 -0.93 6.62 0.00 -1.15 16.18 119.26 140.82 3dwi h ALA 132 Ca 0.20 -0.19 0.14 0.00 0.00 0.00 0.00 54.91 55.06 3dwi h ALA 132 Cb -0.01 0.28 -0.09 0.00 0.00 0.00 0.00 17.79 17.98 3dwi h ALA 132 CO -0.04 -0.84 0.55 -0.24 0.00 0.00 0.00 179.25 178.69 3dwi h VAL 133 N -0.89 0.82 -0.08 0.00 3.04 0.15 2.72 116.25 122.01 3dwi h VAL 133 Ca -0.08 -0.28 -0.08 0.00 -1.01 0.00 0.00 66.70 65.25 3dwi h VAL 133 Cb 0.62 -0.07 0.00 0.00 -2.01 0.00 0.00 31.29 29.84 3dwi h VAL 133 CO 0.12 0.15 -0.28 0.00 -1.01 0.00 0.00 177.57 176.55 3dwi h ALA 134 N 1.56 0.14 0.08 3.17 0.00 0.30 0.65 119.26 125.15 3dwi h ALA 134 Ca 0.49 -0.42 0.02 0.00 0.00 0.00 0.00 54.91 55.00 3dwi h ALA 134 Cb 0.61 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 3dwi h ALA 134 CO -0.32 0.16 -0.25 0.00 0.00 0.00 0.00 179.25 178.84 3dwi h THR 135 N -0.16 0.44 -0.57 0.00 1.03 3.78 -2.09 112.91 115.34 3dwi h THR 135 Ca -0.01 0.00 0.07 0.00 -0.01 0.00 0.00 66.41 66.45 3dwi h THR 135 Cb 0.92 0.44 -0.03 0.00 -1.07 0.00 0.00 68.15 68.40 3dwi h THR 135 CO 0.06 0.00 0.38 0.00 -0.01 0.00 0.00 175.52 175.95 3dwi h ALA 136 N 0.34 1.88 0.00 0.00 0.00 0.47 0.30 119.26 122.25 3dwi h ALA 136 Ca 0.04 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3dwi h ALA 136 Cb 0.48 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 3dwi h ALA 136 CO -0.17 0.02 -0.06 -0.22 0.00 0.00 0.00 179.25 178.82 3dwi h LYS 137 N 0.51 0.00 0.04 0.00 3.11 -0.18 -2.26 116.57 117.79 3dwi h LYS 137 Ca 0.25 0.00 -0.36 0.00 -2.81 0.00 0.00 60.65 57.73 3dwi h LYS 137 Cb 0.34 0.00 -0.05 0.00 -1.00 0.00 0.00 32.23 31.52 3dwi h LYS 137 CO -0.07 0.06 -2.17 -1.91 -2.81 0.00 0.00 179.45 172.55 3dwi n GLU 138 N -3.79 0.69 -0.09 1.90 4.07 0.92 -3.50 120.64 120.84 3dwi n GLU 138 Ca -0.02 0.18 -0.07 0.00 -0.06 0.00 0.00 57.16 57.18 3dwi n GLU 138 Cb 0.15 -1.63 0.01 0.00 -0.06 0.00 0.00 31.44 29.91 3dwi n GLU 138 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 3dwi h LEU 139 N 0.02 0.16 -1.01 4.31 4.07 -1.17 1.16 115.31 122.85 3dwi h LEU 139 Ca -0.47 0.03 0.01 0.00 0.08 0.00 0.00 57.88 57.53 3dwi h LEU 139 Cb 2.03 0.01 -0.05 0.00 1.08 0.00 0.00 40.66 43.73 3dwi h LEU 139 CO 0.02 0.13 0.66 0.00 -1.08 0.00 0.00 178.44 178.16 3dwi h ALA 140 N 1.20 1.27 0.24 1.53 0.00 -1.54 0.37 119.26 122.33 3dwi h ALA 140 Ca 0.14 -0.07 -0.34 0.00 0.00 0.00 0.00 54.91 54.64 3dwi h ALA 140 Cb 0.10 -0.41 0.03 0.00 0.00 0.00 0.00 17.79 17.52 3dwi h ALA 140 CO -0.14 0.67 -1.56 0.00 0.00 0.00 0.00 179.25 178.22 3dwi h ALA 141 N 1.36 -0.08 -0.28 0.00 0.00 -1.52 -3.14 119.26 115.60 3dwi h ALA 141 Ca 0.37 -0.94 -0.09 0.00 0.00 0.00 0.00 54.91 54.24 3dwi h ALA 141 Cb -0.15 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3dwi h ALA 141 CO -0.08 0.79 -0.22 0.00 0.00 0.00 0.00 179.25 179.74 3dwi h THR 142 N 0.14 1.26 -3.48 0.00 1.03 0.18 -3.41 112.91 108.62 3dwi h THR 142 Ca -0.28 -1.22 -0.64 0.00 -0.01 0.00 0.00 66.41 64.25 3dwi h THR 142 Cb 2.16 1.29 -0.40 0.00 -1.07 0.00 0.00 68.15 70.12 3dwi h THR 142 CO 0.25 0.39 -0.70 0.21 -0.01 0.00 0.00 175.52 175.67 3dwi s ASN 143 N -6.79 4.46 0.36 0.00 2.47 0.13 -4.99 114.94 110.58 3dwi s ASN 143 Ca -0.07 -2.42 0.19 0.00 0.42 0.00 0.00 52.86 50.99 3dwi s ASN 143 Cb 0.14 -1.51 1.29 0.00 -1.45 0.00 0.00 41.25 39.72 3dwi s ASN 143 CO 0.79 -0.33 1.59 -0.65 -3.72 0.00 0.00 177.10 174.78 3dwi h PRO 144 N 7.23 0.02 -0.50 0.43 0.10 -1.81 -2.06 132.00 135.42 3dwi h PRO 144 Ca -0.06 -0.00 0.14 0.00 0.10 0.00 0.00 66.00 66.18 3dwi h PRO 144 Cb 0.97 -0.01 -0.02 0.00 0.10 0.00 0.00 31.00 32.04 3dwi h PRO 144 CO 0.57 0.02 0.36 0.77 0.10 0.00 0.00 178.00 179.81 3dwi h SER 145 N 0.02 0.02 -3.58 -2.05 0.02 -1.94 -3.40 113.55 102.65 3dwi h SER 145 Ca 0.83 0.00 -0.63 0.00 -0.84 0.00 0.00 61.79 61.15 3dwi h SER 145 Cb 2.15 -0.00 -0.13 0.00 0.14 0.00 0.00 62.40 64.55 3dwi h SER 145 CO -0.77 0.01 0.03 0.26 -1.14 0.00 0.00 176.83 175.22 3dwi s TRP 146 N -5.04 3.22 -0.49 3.45 0.51 -0.78 -3.94 118.94 115.87 3dwi s TRP 146 Ca -0.05 0.47 -0.18 0.00 -2.12 0.00 0.00 56.10 54.22 3dwi s TRP 146 Cb 0.19 -2.87 0.06 0.00 -0.81 0.00 0.00 33.47 30.04 3dwi s TRP 146 CO 0.73 -0.43 0.54 0.08 -0.51 0.00 0.00 176.95 177.36 3dwi s VAL 147 N 2.44 5.00 -0.13 4.03 1.01 -0.09 -4.82 120.40 127.84 3dwi s VAL 147 Ca 0.22 -0.66 -0.25 0.00 0.00 0.00 0.00 61.98 61.29 3dwi s VAL 147 Cb -0.15 -4.23 -0.02 0.00 0.00 0.00 0.00 36.38 31.98 3dwi s VAL 147 CO 0.11 -0.71 0.81 -0.32 0.00 0.00 0.00 175.10 174.99 3dwi s MET 148 N 2.30 4.35 -0.03 2.72 1.75 -1.25 -0.75 119.30 128.39 3dwi s MET 148 Ca 0.12 1.01 -0.03 0.00 -1.25 0.00 0.00 55.69 55.54 3dwi s MET 148 Cb -0.21 -3.53 -0.27 0.00 2.84 0.00 0.00 34.83 33.66 3dwi s MET 148 CO 0.10 -0.21 0.73 -0.07 -0.65 0.00 0.00 175.02 174.92 3dwi h LEU 149 N 7.81 0.38 -2.46 4.11 3.38 -1.95 -3.48 115.31 123.11 3dwi h LEU 149 Ca -0.33 -0.60 0.00 0.00 0.09 0.00 0.00 57.88 57.03 3dwi h LEU 149 Cb 1.16 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.78 3dwi h LEU 149 CO 0.81 1.52 -0.47 0.00 0.09 0.00 0.00 178.44 180.38 3dwi n TYR 150 N -3.43 -2.60 0.23 1.13 9.36 -1.26 -4.30 117.16 116.28 3dwi n TYR 150 Ca -0.20 1.09 0.10 0.00 3.32 0.00 0.00 57.90 62.20 3dwi n TYR 150 Cb 1.05 -3.33 0.65 0.00 -0.63 0.00 0.00 39.34 37.08 3dwi n TYR 150 CO 0.00 0.00 0.00 -0.56 0.22 0.00 0.00 176.86 176.52 3dwi h GLN 151 N 1.67 0.00 0.00 2.98 3.07 -1.93 0.19 115.11 121.09 3dwi h GLN 151 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 3dwi h GLN 151 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.03 3dwi h GLN 151 CO 0.12 0.00 0.00 0.66 0.09 0.00 0.00 178.83 179.70 3dwi n TYR 152 N -4.52 0.00 0.00 0.06 4.02 -1.26 -3.88 117.16 111.58 3dwi n TYR 152 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.88 3dwi n TYR 152 Cb 0.16 -0.46 0.00 0.00 -0.02 0.00 0.00 39.34 39.02 3dwi n TYR 152 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3dwi n GLY 153 N 1.23 0.99 3.62 2.72 0.00 -0.72 -2.17 105.19 110.85 3dwi n GLY 153 Ca 0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 3dwi n GLY 153 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3dwi s ASN 154 N -0.14 6.55 0.64 1.61 3.84 0.58 -4.79 114.94 123.23 3dwi s ASN 154 Ca 0.00 1.12 0.25 0.00 0.21 0.00 0.00 52.86 54.44 3dwi s ASN 154 Cb 0.00 -2.54 1.30 0.00 -0.55 0.00 0.00 41.25 39.46 3dwi s ASN 154 CO 0.00 -1.20 1.74 -0.65 -2.79 0.00 0.00 177.10 174.20 3dwi h PRO 155 N 9.82 0.00 0.00 0.43 0.11 -1.92 0.10 132.00 140.54 3dwi h PRO 155 Ca -0.27 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.83 3dwi h PRO 155 Cb 1.10 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 3dwi h PRO 155 CO 1.05 0.00 -0.05 0.00 -0.21 0.00 0.00 178.00 178.78 3dwi h ALA 156 N 1.13 1.04 0.50 -0.75 0.00 -1.91 0.68 119.26 119.95 3dwi h ALA 156 Ca 0.11 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3dwi h ALA 156 Cb 1.20 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3dwi h ALA 156 CO -0.00 0.07 -0.24 -0.97 0.00 0.00 0.00 179.25 178.10 3dwi h ASN 157 N 0.00 -0.57 -0.53 0.00 -0.73 -1.23 -0.16 115.58 112.36 3dwi h ASN 157 Ca -0.00 0.02 0.10 0.00 1.87 0.00 0.00 56.30 58.29 3dwi h ASN 157 Cb 0.47 0.15 -0.09 0.00 0.27 0.00 0.00 38.32 39.12 3dwi h ASN 157 CO 0.01 -0.29 0.01 0.74 -0.37 0.00 0.00 177.43 177.53 3dwi h THR 158 N -0.92 0.59 -0.35 -3.57 2.02 -1.54 -0.10 112.91 109.04 3dwi h THR 158 Ca -0.07 -0.04 0.10 0.00 0.77 0.00 0.00 66.41 67.17 3dwi h THR 158 Cb 0.52 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 67.36 3dwi h THR 158 CO 0.11 0.02 0.25 0.44 0.37 0.00 0.00 175.52 176.72 3dwi h ASP 159 N 0.13 0.01 0.40 4.18 5.19 0.55 0.07 116.42 126.95 3dwi h ASP 159 Ca 0.27 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 56.61 3dwi h ASP 159 Cb 0.41 -0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.91 3dwi h ASP 159 CO -0.44 0.01 -0.31 0.77 -3.12 0.00 0.00 179.24 176.15 3dwi h SER 160 N 0.01 0.00 0.50 6.45 4.64 0.91 -0.12 113.55 125.94 3dwi h SER 160 Ca 0.17 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.19 3dwi h SER 160 Cb 0.66 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.72 3dwi h SER 160 CO -0.00 0.31 -1.57 0.45 -0.87 0.00 0.00 176.83 175.15 3dwi h HIS 161 N 0.00 0.26 0.00 4.77 3.86 -1.03 0.13 115.15 123.14 3dwi h HIS 161 Ca -0.00 -0.19 -0.01 0.00 -1.16 0.00 0.00 60.37 59.01 3dwi h HIS 161 Cb 0.59 -0.01 -0.00 0.00 1.06 0.00 0.00 27.41 29.05 3dwi h HIS 161 CO 0.00 1.26 -0.06 -0.92 0.86 0.00 0.00 177.93 179.07 3dwi h TYR 162 N 0.04 0.00 -0.01 2.45 5.03 -0.98 0.30 116.97 123.80 3dwi h TYR 162 Ca -0.25 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.06 3dwi h TYR 162 Cb 1.98 0.00 0.00 0.00 1.55 0.00 0.00 36.73 40.26 3dwi h TYR 162 CO 0.04 0.06 -0.12 0.00 -1.32 0.00 0.00 178.16 176.81 3dwi n GLY 164 N 0.73 0.02 0.35 0.00 0.00 0.46 -4.76 105.19 101.99 3dwi n GLY 164 Ca 0.04 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.96 3dwi n GLY 164 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3dwi h THR 165 N 0.00 0.24 0.00 2.61 2.02 -1.59 0.26 112.91 116.45 3dwi h THR 165 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3dwi h THR 165 Cb 0.00 0.24 0.00 0.00 -1.74 0.00 0.00 68.15 66.65 3dwi h THR 165 CO 0.00 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.50 3dwi n GLY 166 N -1.42 -2.77 0.27 2.16 0.00 0.10 -0.73 105.19 102.82 3dwi n GLY 166 Ca -0.02 0.27 0.06 0.00 0.00 0.00 0.00 46.02 46.33 3dwi n GLY 166 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3dwi h PRO 167 N 0.00 0.19 -0.99 1.61 0.11 -1.73 0.18 132.00 131.37 3dwi h PRO 167 Ca 0.00 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 66.13 3dwi h PRO 167 Cb 0.00 -0.04 -0.06 0.00 0.11 0.00 0.00 31.00 31.01 3dwi h PRO 167 CO 0.00 0.13 0.65 0.93 -0.21 0.00 0.00 178.00 179.50 3dwi h GLU 168 N 0.20 1.22 0.12 1.05 5.08 -0.02 0.12 114.58 122.35 3dwi h GLU 168 Ca 0.42 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.70 3dwi h GLU 168 Cb 0.74 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 29.72 3dwi h GLU 168 CO -0.57 0.81 -0.06 -0.07 -1.00 0.00 0.00 179.01 178.12 3dwi h LEU 169 N 1.26 -0.14 -1.07 1.33 3.38 0.15 -1.33 115.31 118.89 3dwi h LEU 169 Ca 0.39 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 58.26 3dwi h LEU 169 Cb -0.01 0.04 -0.05 0.00 0.09 0.00 0.00 40.66 40.73 3dwi h LEU 169 CO -0.12 0.02 0.63 0.25 0.09 0.00 0.00 178.44 179.32 3dwi h LEU 170 N -0.30 1.09 -0.46 1.67 5.85 -0.24 0.47 115.31 123.40 3dwi h LEU 170 Ca -0.02 -0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.63 3dwi h LEU 170 Cb 0.24 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 3dwi h LEU 170 CO 0.03 0.79 0.11 0.00 -0.34 0.00 0.00 178.44 179.03 3dwi h ALA 171 N 1.41 0.60 0.00 1.25 0.00 -0.58 -2.18 119.26 119.76 3dwi h ALA 171 Ca 0.35 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3dwi h ALA 171 Cb -0.15 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.47 3dwi h ALA 171 CO -0.08 0.29 -0.35 -0.44 0.00 0.00 0.00 179.25 178.67 3dwi h ASP 172 N 0.61 0.00 -1.62 0.00 3.32 -0.57 -3.39 116.42 114.77 3dwi h ASP 172 Ca 0.14 -0.01 -0.45 0.00 0.02 0.00 0.00 57.03 56.73 3dwi h ASP 172 Cb 0.32 0.00 -0.35 0.00 0.22 0.00 0.00 39.33 39.52 3dwi h ASP 172 CO 0.00 0.01 -1.04 -0.11 -1.72 0.00 0.00 179.24 176.38 3dwi n LEU 173 N -2.87 0.03 0.31 1.55 0.00 0.16 -4.90 117.00 111.28 3dwi n LEU 173 Ca 0.03 -4.66 0.20 0.00 0.00 0.00 0.00 56.01 51.57 3dwi n LEU 173 Cb 0.53 0.74 1.05 0.00 0.00 0.00 0.00 43.42 45.74 3dwi n LEU 173 CO 0.36 2.19 1.16 1.55 0.00 0.00 0.00 177.39 182.65 3dwi h PRO 174 N 3.30 0.00 -0.75 1.96 0.13 -1.60 0.31 132.00 135.35 3dwi h PRO 174 Ca 0.05 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.13 3dwi h PRO 174 Cb 0.97 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.07 3dwi h PRO 174 CO 0.43 0.00 0.06 -0.85 -0.23 0.00 0.00 178.00 177.41 3dwi n GLU 175 N -3.26 3.46 -1.72 0.86 0.00 -1.26 -4.94 120.64 113.79 3dwi n GLU 175 Ca -0.02 -2.17 -0.40 0.00 0.00 0.00 0.00 57.16 54.57 3dwi n GLU 175 Cb 0.17 -2.01 0.02 0.00 0.00 0.00 0.00 31.44 29.63 3dwi n GLU 175 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.13 178.64 3dwi n ILE 176 N 0.28 3.04 0.00 3.84 3.06 0.10 -4.38 119.36 125.30 3dwi n ILE 176 Ca 0.22 -0.50 0.00 0.00 -2.50 0.00 0.00 62.75 59.97 3dwi n ILE 176 Cb 0.97 -1.61 0.00 0.00 0.54 0.00 0.00 39.64 39.54 3dwi n ILE 176 CO 0.00 0.00 0.00 0.35 -2.50 0.00 0.00 176.55 174.40 3dwi n THR 177 N -0.56 0.00 -3.70 9.51 -2.24 0.17 -4.83 114.28 112.62 3dwi n THR 177 Ca 0.08 -0.02 -0.12 0.00 -2.27 0.00 0.00 64.05 61.71 3dwi n THR 177 Cb 0.42 0.50 -0.12 0.00 -2.10 0.00 0.00 70.33 69.02 3dwi n THR 177 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3dwi s HIS 178 N -1.84 -0.42 -0.15 4.78 3.76 -1.00 0.69 115.29 121.10 3dwi s HIS 178 Ca 0.00 0.96 -0.01 0.00 -0.15 0.00 0.00 55.06 55.86 3dwi s HIS 178 Cb 0.00 0.09 -0.01 0.00 1.11 0.00 0.00 32.58 33.76 3dwi s HIS 178 CO 0.00 -0.29 -0.11 0.12 -0.85 0.00 0.00 174.74 173.60 3dwi s PHE 179 N 1.59 2.85 -0.11 1.40 2.19 0.21 0.35 117.98 126.45 3dwi s PHE 179 Ca -0.07 -0.74 0.02 0.00 0.33 0.00 0.00 56.93 56.47 3dwi s PHE 179 Cb -0.10 -1.90 0.01 0.00 -1.31 0.00 0.00 43.02 39.72 3dwi s PHE 179 CO -0.10 -0.30 -0.18 0.08 1.83 0.00 0.00 175.22 176.55 3dwi s VAL 180 N 0.61 1.67 0.01 3.12 1.01 -0.49 0.22 120.40 126.55 3dwi s VAL 180 Ca -0.07 -0.76 -0.17 0.00 0.00 0.00 0.00 61.98 60.99 3dwi s VAL 180 Cb -0.15 -1.49 0.03 0.00 0.00 0.00 0.00 36.38 34.76 3dwi s VAL 180 CO 0.03 0.47 0.37 0.00 0.00 0.00 0.00 175.10 175.97 3dwi s ALA 181 N 0.79 -0.90 0.96 5.51 0.00 -0.98 -0.84 121.76 126.30 3dwi s ALA 181 Ca -0.10 0.35 -0.11 0.00 0.00 0.00 0.00 51.96 52.09 3dwi s ALA 181 Cb -0.16 0.18 0.17 0.00 0.00 0.00 0.00 23.12 23.31 3dwi s ALA 181 CO 0.01 -0.35 1.09 0.20 0.00 0.00 0.00 175.76 176.71 3dwi s GLY 182 N -1.63 1.62 -0.31 0.00 0.00 -1.26 -1.11 107.32 104.64 3dwi s GLY 182 Ca -0.10 0.13 0.01 0.00 0.00 0.00 0.00 44.72 44.76 3dwi s GLY 182 CO 0.02 0.64 0.07 -2.27 0.00 0.00 0.00 173.10 171.57 3dwi s LEU 183 N -6.56 2.98 0.00 0.66 2.96 -0.98 -4.55 118.68 113.20 3dwi s LEU 183 Ca 0.65 -1.75 0.00 0.00 -0.22 0.00 0.00 54.13 52.82 3dwi s LEU 183 Cb -0.21 -1.10 0.00 0.00 0.50 0.00 0.00 46.19 45.38 3dwi s LEU 183 CO 0.59 -0.39 0.00 0.61 -1.32 0.00 0.00 176.35 175.84 3dwi n GLY 184 N 4.67 0.23 0.31 7.98 0.00 -1.26 -4.80 105.19 112.32 3dwi n GLY 184 Ca -0.01 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.98 3dwi n GLY 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dwi h THR 185 N 0.00 1.22 0.00 2.61 1.03 -1.94 -3.47 112.91 112.37 3dwi h THR 185 Ca 0.00 -0.75 0.00 0.00 -0.01 0.00 0.00 66.41 65.65 3dwi h THR 185 Cb 0.00 0.54 0.00 0.00 -1.07 0.00 0.00 68.15 67.62 3dwi h THR 185 CO 0.00 0.29 0.00 0.41 -0.01 0.00 0.00 175.52 176.21 3dwi n THR 186 N -4.30 0.00 -0.29 0.00 -1.04 -1.26 -4.54 114.28 102.85 3dwi n THR 186 Ca 0.05 0.00 0.11 0.00 -2.04 0.00 0.00 64.05 62.17 3dwi n THR 186 Cb 0.19 0.00 0.27 0.00 -1.82 0.00 0.00 70.33 68.97 3dwi n THR 186 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 3dwi h GLY 187 N 0.00 1.40 0.82 3.41 0.00 -1.90 0.31 103.07 107.12 3dwi h GLY 187 Ca 0.00 -0.16 -0.00 0.00 0.00 0.00 0.00 47.33 47.17 3dwi h GLY 187 CO 0.00 -0.21 0.00 -0.84 0.00 0.00 0.00 176.54 175.49 3dwi h THR 188 N 0.41 1.15 -0.28 4.70 2.02 -1.88 1.17 112.91 120.20 3dwi h THR 188 Ca 0.51 -0.44 -0.16 0.00 0.77 0.00 0.00 66.41 67.10 3dwi h THR 188 Cb 0.92 1.42 -0.00 0.00 -1.74 0.00 0.00 68.15 68.75 3dwi h THR 188 CO -0.50 0.12 -0.44 -0.07 0.37 0.00 0.00 175.52 175.00 3dwi h LEU 189 N -0.16 0.88 -0.36 2.58 3.38 -1.63 0.26 115.31 120.25 3dwi h LEU 189 Ca 0.00 -0.52 -0.07 0.00 0.09 0.00 0.00 57.88 57.39 3dwi h LEU 189 Cb 0.18 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 3dwi h LEU 189 CO -0.00 1.22 -0.03 0.24 0.09 0.00 0.00 178.44 179.97 3dwi h MET 190 N 0.55 0.66 0.10 1.13 2.86 -0.26 0.67 114.93 120.64 3dwi h MET 190 Ca 0.02 -0.22 -0.00 0.00 -2.06 0.00 0.00 59.70 57.43 3dwi h MET 190 Cb 1.04 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.65 3dwi h MET 190 CO 0.10 0.79 -0.05 0.78 1.06 0.00 0.00 176.91 179.59 3dwi h GLY 191 N 0.47 -0.13 1.02 8.32 0.00 0.15 0.80 103.07 113.70 3dwi h GLY 191 Ca 0.10 0.05 -0.03 0.00 0.00 0.00 0.00 47.33 47.45 3dwi h GLY 191 CO 0.02 -0.05 0.31 0.00 0.00 0.00 0.00 176.54 176.82 3dwi h THR 192 N -1.02 1.24 -0.42 4.70 1.03 -0.59 -2.38 112.91 115.47 3dwi h THR 192 Ca -0.01 -0.73 0.05 0.00 -0.01 0.00 0.00 66.41 65.71 3dwi h THR 192 Cb 0.20 0.40 -0.08 0.00 -1.07 0.00 0.00 68.15 67.60 3dwi h THR 192 CO 0.02 0.30 -0.53 1.23 -0.01 0.00 0.00 175.52 176.53 3dwi h GLY 193 N 1.01 -1.06 0.96 2.99 0.00 0.39 -0.21 103.07 107.15 3dwi h GLY 193 Ca 0.24 0.73 0.03 0.00 0.00 0.00 0.00 47.33 48.33 3dwi h GLY 193 CO -0.02 -0.14 0.63 -0.09 0.00 0.00 0.00 176.54 176.91 3dwi h ARG 194 N -0.36 1.20 0.44 4.80 2.43 -0.66 -1.36 114.38 120.86 3dwi h ARG 194 Ca 0.07 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 3dwi h ARG 194 Cb 0.56 -0.27 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 3dwi h ARG 194 CO -0.58 0.79 -0.21 0.35 -1.51 0.00 0.00 179.97 178.81 3dwi h PHE 195 N 1.23 -0.54 -0.60 2.20 3.04 -0.88 -1.89 116.94 119.50 3dwi h PHE 195 Ca 0.37 -0.01 -0.05 0.00 3.98 0.00 0.00 57.97 62.27 3dwi h PHE 195 Cb -0.03 0.18 -0.03 0.00 2.56 0.00 0.00 35.95 38.63 3dwi h PHE 195 CO -0.00 -0.28 0.19 -0.07 -2.02 0.00 0.00 178.31 176.14 3dwi h LEU 196 N -0.71 0.84 -1.36 0.59 3.38 -0.53 -1.01 115.31 116.50 3dwi h LEU 196 Ca -0.06 -0.13 -0.07 0.00 0.09 0.00 0.00 57.88 57.71 3dwi h LEU 196 Cb 0.51 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 3dwi h LEU 196 CO 0.10 0.79 -0.32 0.03 0.09 0.00 0.00 178.44 179.12 3dwi h ARG 197 N 0.88 0.00 0.00 1.13 3.08 -1.11 0.75 114.38 119.11 3dwi h ARG 197 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.25 3dwi h ARG 197 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.30 3dwi h ARG 197 CO -0.01 0.32 0.00 0.93 -1.07 0.00 0.00 179.97 180.14 3dwi h GLU 198 N 0.00 0.00 0.00 0.04 5.08 -0.35 -3.37 114.58 115.98 3dwi h GLU 198 Ca -0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3dwi h GLU 198 Cb 0.58 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.83 3dwi h GLU 198 CO 0.04 0.00 -1.02 0.72 -1.00 0.00 0.00 179.01 177.75 3dwi n HIS 199 N -3.04 0.00 -4.17 4.33 8.25 -0.40 -4.97 115.22 115.21 3dwi n HIS 199 Ca 0.02 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.24 3dwi n HIS 199 Cb 0.39 -0.01 -0.17 0.00 1.12 0.00 0.00 29.99 31.32 3dwi n HIS 199 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3dwi s VAL 200 N -2.03 0.84 0.33 1.59 0.11 0.12 -5.09 120.40 116.27 3dwi s VAL 200 Ca -0.00 -0.25 -0.25 0.00 -2.93 0.00 0.00 61.98 58.55 3dwi s VAL 200 Cb 0.00 -0.84 -0.10 0.00 -1.53 0.00 0.00 36.38 33.91 3dwi s VAL 200 CO 0.02 0.31 0.93 0.00 -3.33 0.00 0.00 175.10 173.03 3dwi s ALA 201 N 1.19 3.20 -0.51 1.54 0.00 -1.26 -3.28 121.76 122.64 3dwi s ALA 201 Ca -0.06 0.48 0.00 0.00 0.00 0.00 0.00 51.96 52.39 3dwi s ALA 201 Cb -0.14 -3.15 0.00 0.00 0.00 0.00 0.00 23.12 19.83 3dwi s ALA 201 CO -0.02 0.18 0.00 0.27 0.00 0.00 0.00 175.76 176.19 3dwi n ASN 202 N 0.41 -5.49 -4.73 0.00 6.94 -1.26 -4.95 115.26 106.18 3dwi n ASN 202 Ca 0.02 0.12 -0.41 0.00 -0.02 0.00 0.00 54.58 54.29 3dwi n ASN 202 Cb 0.51 -3.41 0.00 0.00 -2.36 0.00 0.00 39.78 34.52 3dwi n ASN 202 CO 0.00 0.00 0.00 0.55 -1.03 0.00 0.00 177.26 176.78 3dwi n VAL 203 N -2.22 2.25 -3.52 3.53 3.14 -1.21 -4.95 118.33 115.34 3dwi n VAL 203 Ca -0.05 -0.50 -0.37 0.00 -2.96 0.00 0.00 64.34 60.46 3dwi n VAL 203 Cb 0.48 -1.73 -0.07 0.00 -1.06 0.00 0.00 33.84 31.46 3dwi n VAL 203 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3dwi s ALA 204 N -1.14 3.61 -0.33 1.55 0.00 0.22 -4.95 121.76 120.71 3dwi s ALA 204 Ca 0.57 -0.39 -0.05 0.00 0.00 0.00 0.00 51.96 52.08 3dwi s ALA 204 Cb -0.51 -2.40 0.04 0.00 0.00 0.00 0.00 23.12 20.25 3dwi s ALA 204 CO 0.61 0.16 0.08 0.42 0.00 0.00 0.00 175.76 177.03 3dwi s ILE 205 N 0.19 3.56 -0.20 0.00 -1.09 -1.26 0.64 121.20 123.03 3dwi s ILE 205 Ca 0.19 -1.23 -0.05 0.00 -2.23 0.00 0.00 60.65 57.33 3dwi s ILE 205 Cb -0.14 -3.04 -0.03 0.00 -1.58 0.00 0.00 42.46 37.68 3dwi s ILE 205 CO 0.06 -0.18 0.00 -0.69 -1.23 0.00 0.00 174.94 172.91 3dwi s VAL 206 N 1.35 3.99 -0.20 2.92 1.01 0.60 0.10 120.40 130.17 3dwi s VAL 206 Ca -0.02 -0.30 -0.18 0.00 0.00 0.00 0.00 61.98 61.47 3dwi s VAL 206 Cb -0.20 -2.80 -0.03 0.00 0.00 0.00 0.00 36.38 33.35 3dwi s VAL 206 CO 0.02 0.43 0.50 0.00 0.00 0.00 0.00 175.10 176.05 3dwi s ALA 207 N 0.97 3.55 -0.59 5.51 0.00 0.14 -2.32 121.76 129.02 3dwi s ALA 207 Ca 0.02 -0.43 -0.21 0.00 0.00 0.00 0.00 51.96 51.34 3dwi s ALA 207 Cb -0.14 -2.79 0.07 0.00 0.00 0.00 0.00 23.12 20.25 3dwi s ALA 207 CO 0.02 -0.44 0.82 0.00 0.00 0.00 0.00 175.76 176.16 3dwi s ALA 208 N 1.63 3.25 -0.28 0.00 0.00 -0.26 -0.37 121.76 125.73 3dwi s ALA 208 Ca 0.23 -1.80 -0.10 0.00 0.00 0.00 0.00 51.96 50.29 3dwi s ALA 208 Cb -0.15 -3.65 -0.04 0.00 0.00 0.00 0.00 23.12 19.28 3dwi s ALA 208 CO 0.09 -2.44 0.16 -1.21 0.00 0.00 0.00 175.76 172.37 3dwi s GLU 209 N 3.41 3.80 -1.18 0.00 0.41 0.43 -2.32 118.70 123.25 3dwi s GLU 209 Ca 0.20 -0.41 -0.19 0.00 -0.41 0.00 0.00 54.97 54.16 3dwi s GLU 209 Cb -0.18 -3.57 -0.03 0.00 -1.78 0.00 0.00 34.13 28.57 3dwi s GLU 209 CO 0.11 -0.21 1.96 -2.30 -0.49 0.00 0.00 175.26 174.33 3dwi n PRO 210 N 5.02 2.31 -0.96 0.39 -0.02 -1.26 0.55 135.00 141.03 3dwi n PRO 210 Ca -0.15 -2.55 -0.13 0.00 -2.02 0.00 0.00 63.50 58.66 3dwi n PRO 210 Cb 0.52 -3.34 -0.13 0.00 -0.02 0.00 0.00 33.50 30.52 3dwi n PRO 210 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 3dwi n ARG 211 N 7.39 0.00 -3.50 -0.52 0.63 -1.00 -4.88 116.66 114.79 3dwi n ARG 211 Ca 0.49 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 57.00 3dwi n ARG 211 Cb 0.43 -0.67 -0.09 0.00 0.45 0.00 0.00 32.46 32.58 3dwi n ARG 211 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 3dwi s VAL 227 N 0.00 4.78 0.27 5.15 1.01 -1.26 -4.72 120.40 125.63 3dwi s VAL 227 Ca 0.75 -1.15 -0.30 0.00 0.00 0.00 0.00 61.98 61.27 3dwi s VAL 227 Cb -0.48 -3.85 -0.11 0.00 0.00 0.00 0.00 36.38 31.93 3dwi s VAL 227 CO 0.33 -0.50 1.62 -2.84 0.00 0.00 0.00 175.10 173.70 3dwi s PRO 228 N 1.55 4.13 0.59 2.72 0.02 -1.26 -4.83 135.00 137.92 3dwi s PRO 228 Ca 0.03 2.58 0.28 0.00 0.02 0.00 0.00 61.00 63.91 3dwi s PRO 228 Cb -0.23 -3.04 1.63 0.00 0.02 0.00 0.00 34.50 32.88 3dwi s PRO 228 CO 0.05 -0.66 2.08 1.49 -0.33 0.00 0.00 177.00 179.63 3dwi h GLU 229 N 5.37 0.00 -0.01 5.54 4.81 -1.82 -0.55 114.58 127.92 3dwi h GLU 229 Ca -0.46 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 3dwi h GLU 229 Cb 1.21 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.59 3dwi h GLU 229 CO 0.84 0.00 -0.21 1.28 -0.73 0.00 0.00 179.01 180.18 3dwi n LEU 230 N -3.81 0.87 -4.75 1.64 4.77 -0.92 -4.90 117.00 109.90 3dwi n LEU 230 Ca 0.02 -0.18 -0.41 0.00 -0.03 0.00 0.00 56.01 55.41 3dwi n LEU 230 Cb 0.36 -0.14 -0.03 0.00 -2.33 0.00 0.00 43.42 41.28 3dwi n LEU 230 CO 0.28 0.16 0.95 -0.47 -1.33 0.00 0.00 177.39 176.97 3dwi s TYR 231 N -2.49 3.26 -0.12 -1.77 6.14 -0.22 -4.88 117.35 117.27 3dwi s TYR 231 Ca 0.26 1.37 0.01 0.00 0.64 0.00 0.00 57.07 59.35 3dwi s TYR 231 Cb 0.19 -3.56 0.02 0.00 0.42 0.00 0.00 41.96 39.03 3dwi s TYR 231 CO 0.51 -1.61 -0.15 0.34 0.64 0.00 0.00 175.55 175.27 3dwi s ASP 232 N -0.12 2.53 0.23 4.32 -1.08 -1.26 -4.97 116.67 116.32 3dwi s ASP 232 Ca 0.52 -0.45 0.01 0.00 -0.52 0.00 0.00 52.55 52.11 3dwi s ASP 232 Cb -0.36 -1.13 0.24 0.00 -1.46 0.00 0.00 42.92 40.20 3dwi s ASP 232 CO 0.43 0.01 1.58 1.55 0.52 0.00 0.00 175.17 179.26 3dwi h PRO 233 N 7.54 0.45 -0.99 4.34 0.13 -1.97 -3.17 132.00 138.33 3dwi h PRO 233 Ca -0.33 -0.25 0.00 0.00 -0.87 0.00 0.00 66.00 64.55 3dwi h PRO 233 Cb 1.17 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3dwi h PRO 233 CO 0.50 0.83 0.00 0.39 -0.23 0.00 0.00 178.00 179.49 3dwi n GLU 234 N -3.98 0.95 -0.03 0.86 1.02 -1.26 -3.69 120.64 114.51 3dwi n GLU 234 Ca -0.02 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 57.05 3dwi n GLU 234 Cb 0.55 -1.32 -0.02 0.00 -0.02 0.00 0.00 31.44 30.62 3dwi n GLU 234 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 3dwi n ILE 235 N 0.19 0.40 -2.27 -3.67 2.08 -1.20 -5.01 119.36 109.88 3dwi n ILE 235 Ca 0.00 -0.07 -0.37 0.00 0.56 0.00 0.00 62.75 62.87 3dwi n ILE 235 Cb 0.32 -1.60 -0.01 0.00 -0.75 0.00 0.00 39.64 37.60 3dwi n ILE 235 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 3dwi s LEU 236 N -6.39 4.07 -0.08 1.39 1.43 -1.24 -4.67 118.68 113.18 3dwi s LEU 236 Ca -0.09 2.31 0.13 0.00 -1.03 0.00 0.00 54.13 55.45 3dwi s LEU 236 Cb 0.03 -4.18 -0.19 0.00 0.03 0.00 0.00 46.19 41.89 3dwi s LEU 236 CO 0.11 -0.84 0.17 0.41 0.23 0.00 0.00 176.35 176.43 3dwi n THR 237 N -0.32 0.49 -3.48 5.49 -1.04 0.11 -4.96 114.28 110.58 3dwi n THR 237 Ca 0.06 -0.45 -0.12 0.00 -2.04 0.00 0.00 64.05 61.50 3dwi n THR 237 Cb 0.48 -0.27 -0.03 0.00 -1.82 0.00 0.00 70.33 68.68 3dwi n THR 237 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3dwi s ALA 238 N -2.62 -1.73 -0.23 2.41 0.00 -1.06 -4.94 121.76 113.59 3dwi s ALA 238 Ca -0.06 0.93 -0.03 0.00 0.00 0.00 0.00 51.96 52.80 3dwi s ALA 238 Cb 0.06 0.40 0.11 0.00 0.00 0.00 0.00 23.12 23.69 3dwi s ALA 238 CO 0.56 -0.61 0.29 0.50 0.00 0.00 0.00 175.76 176.50 3dwi s ARG 239 N -2.72 0.26 -0.14 0.00 3.52 -1.26 0.28 118.95 118.90 3dwi s ARG 239 Ca -0.01 0.26 -0.27 0.00 -0.13 0.00 0.00 55.73 55.58 3dwi s ARG 239 Cb -0.01 -0.88 -0.02 0.00 -1.56 0.00 0.00 34.95 32.48 3dwi s ARG 239 CO -0.05 -0.71 0.88 0.71 -0.81 0.00 0.00 175.30 175.32 3dwi s TYR 240 N 2.40 3.47 -0.04 5.12 2.02 0.50 -4.93 117.35 125.89 3dwi s TYR 240 Ca 0.09 1.37 -0.22 0.00 -0.37 0.00 0.00 57.07 57.94 3dwi s TYR 240 Cb -0.15 -3.06 -0.04 0.00 -0.40 0.00 0.00 41.96 38.31 3dwi s TYR 240 CO -0.17 -0.21 0.65 0.45 -1.57 0.00 0.00 175.55 174.71 3dwi s SER 241 N 1.11 6.97 -0.07 2.29 0.15 -1.26 -0.43 113.70 122.46 3dwi s SER 241 Ca 0.42 1.17 0.05 0.00 0.70 0.00 0.00 55.95 58.28 3dwi s SER 241 Cb -0.17 -2.39 -0.01 0.00 -1.71 0.00 0.00 66.02 61.74 3dwi s SER 241 CO 0.15 -0.03 -0.23 -0.69 1.20 0.00 0.00 173.24 173.64 3dwi s VAL 242 N 0.43 1.92 0.60 4.45 1.01 0.19 -4.88 120.40 124.12 3dwi s VAL 242 Ca 0.35 -0.98 -0.10 0.00 0.00 0.00 0.00 61.98 61.25 3dwi s VAL 242 Cb -0.18 -1.64 -0.03 0.00 0.00 0.00 0.00 36.38 34.53 3dwi s VAL 242 CO 0.17 0.54 0.98 -0.83 0.00 0.00 0.00 175.10 175.96 3dwi s GLY 243 N 0.02 1.62 0.24 4.51 0.00 -1.26 -2.38 107.32 110.07 3dwi s GLY 243 Ca -0.08 -0.22 -0.05 0.00 0.00 0.00 0.00 44.72 44.37 3dwi s GLY 243 CO 0.05 0.03 1.80 0.00 0.00 0.00 0.00 173.10 174.98 3dwi h ALA 244 N -0.24 1.11 -0.68 3.20 0.00 -1.93 -2.16 119.26 118.57 3dwi h ALA 244 Ca -0.45 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.26 3dwi h ALA 244 Cb 1.20 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 3dwi h ALA 244 CO 0.62 0.62 0.42 0.28 0.00 0.00 0.00 179.25 181.19 3dwi h VAL 245 N 1.03 1.19 -0.58 0.00 2.07 -1.92 0.07 116.25 118.11 3dwi h VAL 245 Ca 0.23 -0.40 -0.03 0.00 0.82 0.00 0.00 66.70 67.32 3dwi h VAL 245 Cb 0.24 0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 30.22 3dwi h VAL 245 CO -0.01 0.19 0.24 0.44 0.02 0.00 0.00 177.57 178.45 3dwi h ASP 246 N 0.93 0.79 0.05 0.57 3.32 -1.87 -0.64 116.42 119.56 3dwi h ASP 246 Ca 0.25 -0.16 0.03 0.00 0.02 0.00 0.00 57.03 57.16 3dwi h ASP 246 Cb -0.05 -0.20 -0.05 0.00 0.22 0.00 0.00 39.33 39.25 3dwi h ASP 246 CO -0.05 0.73 -0.31 0.00 -1.72 0.00 0.00 179.24 177.89 3dwi h ALA 247 N 1.09 -0.49 -0.36 3.45 0.00 -0.72 0.91 119.26 123.15 3dwi h ALA 247 Ca 0.19 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 3dwi h ALA 247 Cb 0.18 0.54 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 3dwi h ALA 247 CO -0.02 -0.84 0.03 -0.39 0.00 0.00 0.00 179.25 178.03 3dwi h VAL 248 N -0.49 1.25 -0.96 0.00 -1.51 -0.80 0.16 116.25 113.90 3dwi h VAL 248 Ca 0.05 -0.92 0.03 0.00 -1.23 0.00 0.00 66.70 64.62 3dwi h VAL 248 Cb 0.56 1.14 -0.05 0.00 -2.13 0.00 0.00 31.29 30.81 3dwi h VAL 248 CO -0.23 0.31 0.63 0.08 -1.23 0.00 0.00 177.57 177.12 3dwi h ARG 249 N 0.45 1.20 -0.22 5.19 0.11 -0.86 0.43 114.38 120.68 3dwi h ARG 249 Ca 0.11 -0.07 -0.01 0.00 0.10 0.00 0.00 59.98 60.11 3dwi h ARG 249 Cb 0.41 -0.27 -0.01 0.00 1.11 0.00 0.00 29.97 31.21 3dwi h ARG 249 CO 0.01 0.80 0.11 0.00 0.10 0.00 0.00 179.97 180.99 3dwi h ARG 250 N 1.24 0.30 -0.55 0.08 -0.00 -0.32 0.21 114.38 115.34 3dwi h ARG 250 Ca 0.37 -0.04 0.09 0.00 -0.50 0.00 0.00 59.98 59.90 3dwi h ARG 250 Cb -0.05 -0.06 -0.07 0.00 0.00 0.00 0.00 29.97 29.79 3dwi h ARG 250 CO -0.11 0.30 0.17 1.15 0.00 0.00 0.00 179.97 181.49 3dwi h THR 251 N 0.23 0.76 -0.79 2.04 2.02 0.20 0.34 112.91 117.70 3dwi h THR 251 Ca 0.07 -0.11 -0.01 0.00 0.77 0.00 0.00 66.41 67.13 3dwi h THR 251 Cb 0.09 0.39 -0.04 0.00 -1.74 0.00 0.00 68.15 66.86 3dwi h THR 251 CO -0.01 0.06 0.46 0.03 0.37 0.00 0.00 175.52 176.43 3dwi h ARG 252 N 0.33 1.08 -0.36 6.66 3.08 0.24 -2.43 114.38 122.99 3dwi h ARG 252 Ca 0.28 -0.11 -0.10 0.00 0.07 0.00 0.00 59.98 60.12 3dwi h ARG 252 Cb 0.35 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 3dwi h ARG 252 CO -0.31 0.78 -0.16 1.49 -1.07 0.00 0.00 179.97 180.70 3dwi h GLU 253 N 1.09 0.74 -0.10 0.04 4.81 0.47 -1.53 114.58 120.09 3dwi h GLU 253 Ca 0.28 -0.32 0.04 0.00 -0.13 0.00 0.00 59.36 59.23 3dwi h GLU 253 Cb -0.02 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.30 3dwi h GLU 253 CO -0.05 0.92 -0.14 1.25 -0.73 0.00 0.00 179.01 180.26 3dwi h LEU 254 N 0.52 -0.43 -0.17 1.64 5.85 -0.01 1.26 115.31 123.98 3dwi h LEU 254 Ca 0.08 0.08 -0.12 0.00 0.84 0.00 0.00 57.88 58.75 3dwi h LEU 254 Cb 0.70 0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.93 3dwi h LEU 254 CO 0.05 -0.19 -0.38 1.62 -0.34 0.00 0.00 178.44 179.20 3dwi h VAL 255 N -0.18 1.34 -0.48 1.05 3.04 -0.90 0.46 116.25 120.58 3dwi h VAL 255 Ca 0.08 -1.63 0.03 0.00 -1.01 0.00 0.00 66.70 64.17 3dwi h VAL 255 Cb 0.30 1.95 -0.03 0.00 -2.01 0.00 0.00 31.29 31.50 3dwi h VAL 255 CO -0.21 0.50 0.27 -0.74 -1.01 0.00 0.00 177.57 176.38 3dwi h HIS 256 N 0.21 0.50 0.11 3.17 -0.00 -0.97 0.05 115.15 118.22 3dwi h HIS 256 Ca 0.00 0.02 -0.33 0.00 -0.00 0.00 0.00 60.37 60.06 3dwi h HIS 256 Cb 0.99 -0.16 -0.02 0.00 -0.00 0.00 0.00 27.41 28.22 3dwi h HIS 256 CO 0.10 0.28 -1.75 1.15 -0.00 0.00 0.00 177.93 177.71 3dwi h THR 257 N 0.54 0.90 0.00 6.26 2.02 0.17 -3.40 112.91 119.39 3dwi h THR 257 Ca 0.20 -2.59 0.00 0.00 0.77 0.00 0.00 66.41 64.79 3dwi h THR 257 Cb 0.05 2.62 0.00 0.00 -1.74 0.00 0.00 68.15 69.08 3dwi h THR 257 CO -0.10 0.80 0.00 -0.62 0.37 0.00 0.00 175.52 175.96 3dwi n GLU 258 N -3.41 1.39 -1.01 6.66 -0.58 0.16 -4.87 120.64 118.98 3dwi n GLU 258 Ca -0.23 -0.35 -0.00 0.00 -0.42 0.00 0.00 57.16 56.16 3dwi n GLU 258 Cb 1.05 -0.85 -0.00 0.00 -0.57 0.00 0.00 31.44 31.07 3dwi n GLU 258 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3dwi n GLY 259 N 0.30 0.46 3.60 0.62 0.00 0.00 -4.94 105.19 105.23 3dwi n GLY 259 Ca 0.00 -0.17 -0.34 0.00 0.00 0.00 0.00 46.02 45.51 3dwi n GLY 259 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dwi s ILE 260 N -1.93 4.40 -0.62 -0.61 1.01 -1.24 -4.92 121.20 117.29 3dwi s ILE 260 Ca 0.00 -0.18 -0.09 0.00 0.00 0.00 0.00 60.65 60.38 3dwi s ILE 260 Cb 0.00 -2.94 0.16 0.00 0.01 0.00 0.00 42.46 39.69 3dwi s ILE 260 CO 0.00 0.50 0.49 0.12 0.00 0.00 0.00 174.94 176.05 3dwi s PHE 261 N 0.15 3.51 0.15 3.97 5.36 -1.26 -1.83 117.98 128.03 3dwi s PHE 261 Ca 0.02 -2.14 0.00 0.00 -0.96 0.00 0.00 56.93 53.85 3dwi s PHE 261 Cb -0.13 -3.51 -0.04 0.00 -0.34 0.00 0.00 43.02 39.00 3dwi s PHE 261 CO 0.02 -0.95 0.31 0.00 -1.46 0.00 0.00 175.22 173.14 3dwi s ALA 262 N 0.61 3.92 1.06 11.12 0.00 -1.26 -1.16 121.76 136.04 3dwi s ALA 262 Ca 0.12 -0.89 -0.17 0.00 0.00 0.00 0.00 51.96 51.02 3dwi s ALA 262 Cb -0.20 -1.89 0.23 0.00 0.00 0.00 0.00 23.12 21.26 3dwi s ALA 262 CO -0.04 0.57 1.20 0.20 0.00 0.00 0.00 175.76 177.69 3dwi s GLY 263 N -3.02 1.66 0.20 0.00 0.00 0.21 -3.30 107.32 103.07 3dwi s GLY 263 Ca 0.36 -0.97 -0.09 0.00 0.00 0.00 0.00 44.72 44.03 3dwi s GLY 263 CO 0.28 -0.19 1.72 -2.22 0.00 0.00 0.00 173.10 172.69 3dwi h ILE 264 N -2.02 1.26 -0.08 0.90 2.04 -1.88 -0.48 117.51 117.24 3dwi h ILE 264 Ca -0.46 -0.96 0.02 0.00 1.00 0.00 0.00 64.86 64.47 3dwi h ILE 264 Cb 1.28 0.52 -0.00 0.00 -0.74 0.00 0.00 36.82 37.88 3dwi h ILE 264 CO 0.41 0.37 0.18 0.77 0.00 0.00 0.00 178.15 179.88 3dwi h SER 265 N 1.07 0.00 0.96 1.72 4.64 -1.94 0.63 113.55 120.63 3dwi h SER 265 Ca 0.23 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.43 3dwi h SER 265 Cb 0.36 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.43 3dwi h SER 265 CO 0.00 0.00 -0.55 0.74 -0.87 0.00 0.00 176.83 176.15 3dwi h THR 266 N 0.00 1.12 -0.77 2.95 2.02 -1.38 -2.42 112.91 114.42 3dwi h THR 266 Ca 0.04 -2.08 0.01 0.00 0.77 0.00 0.00 66.41 65.14 3dwi h THR 266 Cb 0.40 2.22 -0.04 0.00 -1.74 0.00 0.00 68.15 68.99 3dwi h THR 266 CO -0.00 0.54 0.51 1.23 0.37 0.00 0.00 175.52 178.16 3dwi h GLY 267 N 2.47 1.08 0.67 2.16 0.00 0.23 0.40 103.07 110.08 3dwi h GLY 267 Ca -0.01 -0.40 0.04 0.00 0.00 0.00 0.00 47.33 46.96 3dwi h GLY 267 CO 0.07 0.40 0.01 0.00 0.00 0.00 0.00 176.54 177.02 3dwi h ALA 268 N 1.28 0.21 -0.67 3.60 0.00 -1.34 0.20 119.26 122.54 3dwi h ALA 268 Ca 0.28 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 55.18 3dwi h ALA 268 Cb -0.12 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3dwi h ALA 268 CO -0.06 -0.41 0.13 0.28 0.00 0.00 0.00 179.25 179.18 3dwi h VAL 269 N 0.09 1.26 -0.08 0.00 2.07 -0.85 -0.47 116.25 118.26 3dwi h VAL 269 Ca 0.11 -1.01 -0.01 0.00 0.82 0.00 0.00 66.70 66.61 3dwi h VAL 269 Cb 0.13 0.63 -0.00 0.00 -1.52 0.00 0.00 31.29 30.52 3dwi h VAL 269 CO -0.17 0.38 0.01 0.25 0.02 0.00 0.00 177.57 178.06 3dwi h LEU 270 N 1.02 0.13 -0.53 2.57 6.46 0.25 0.48 115.31 125.69 3dwi h LEU 270 Ca 0.21 -0.26 0.10 0.00 -0.12 0.00 0.00 57.88 57.80 3dwi h LEU 270 Cb 0.42 -0.04 -0.08 0.00 -0.73 0.00 0.00 40.66 40.23 3dwi h LEU 270 CO 0.01 0.36 0.08 -0.74 -0.62 0.00 0.00 178.44 177.52 3dwi h HIS 271 N -0.10 0.11 -0.37 1.25 2.76 -0.02 0.73 115.15 119.51 3dwi h HIS 271 Ca 0.03 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.21 3dwi h HIS 271 Cb 0.28 0.03 -0.02 0.00 1.55 0.00 0.00 27.41 29.26 3dwi h HIS 271 CO 0.02 -0.05 0.17 0.00 -1.30 0.00 0.00 177.93 176.77 3dwi h ALA 272 N 1.44 0.48 -0.63 5.26 0.00 -0.35 0.65 119.26 126.11 3dwi h ALA 272 Ca 0.27 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 3dwi h ALA 272 Cb 0.40 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 3dwi h ALA 272 CO -0.38 0.05 0.27 0.00 0.00 0.00 0.00 179.25 179.19 3dwi h ALA 273 N 1.02 1.29 -0.04 0.00 0.00 0.21 0.33 119.26 122.06 3dwi h ALA 273 Ca 0.13 -0.15 -0.19 0.00 0.00 0.00 0.00 54.91 54.70 3dwi h ALA 273 Cb 0.13 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3dwi h ALA 273 CO -0.01 0.53 -0.78 -0.07 0.00 0.00 0.00 179.25 178.92 3dwi h LEU 274 N 0.90 0.40 0.48 0.00 3.38 0.65 0.39 115.31 121.51 3dwi h LEU 274 Ca 0.22 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 3dwi h LEU 274 Cb 0.15 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3dwi h LEU 274 CO -0.02 1.03 -0.23 1.23 0.09 0.00 0.00 178.44 180.54 3dwi h GLY 275 N 1.45 -0.67 -0.41 0.83 0.00 0.32 0.14 103.07 104.73 3dwi h GLY 275 Ca -0.04 0.25 0.24 0.00 0.00 0.00 0.00 47.33 47.78 3dwi h GLY 275 CO 0.13 -0.24 0.31 -2.08 0.00 0.00 0.00 176.54 174.66 3dwi h VAL 276 N -0.78 0.34 -0.55 4.60 2.07 -0.41 0.35 116.25 121.87 3dwi h VAL 276 Ca -0.07 -0.09 0.11 0.00 0.82 0.00 0.00 66.70 67.47 3dwi h VAL 276 Cb 0.49 0.06 -0.08 0.00 -1.52 0.00 0.00 31.29 30.23 3dwi h VAL 276 CO 0.11 0.05 0.06 1.23 0.02 0.00 0.00 177.57 179.04 3dwi h GLY 277 N 0.26 0.64 1.19 2.17 0.00 -0.03 -1.65 103.07 105.65 3dwi h GLY 277 Ca 0.58 0.02 -0.17 0.00 0.00 0.00 0.00 47.33 47.76 3dwi h GLY 277 CO -0.62 -0.13 -0.44 0.00 0.00 0.00 0.00 176.54 175.35 3dwi h ALA 278 N 1.46 0.57 0.33 3.60 0.00 0.25 -0.54 119.26 124.93 3dwi h ALA 278 Ca 0.28 -0.47 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 3dwi h ALA 278 Cb 0.43 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3dwi h ALA 278 CO -0.41 0.68 -0.16 0.78 0.00 0.00 0.00 179.25 180.14 3dwi h GLY 279 N 0.79 -0.46 0.72 0.00 0.00 -1.06 0.92 103.07 103.99 3dwi h GLY 279 Ca 0.04 0.17 0.07 0.00 0.00 0.00 0.00 47.33 47.61 3dwi h GLY 279 CO 0.10 -0.17 0.59 0.00 0.00 0.00 0.00 176.54 177.07 3dwi h ALA 280 N 0.16 1.29 0.89 3.60 0.00 -1.05 0.36 119.26 124.51 3dwi h ALA 280 Ca -0.04 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 3dwi h ALA 280 Cb 0.38 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3dwi h ALA 280 CO 0.07 0.35 -0.47 1.25 0.00 0.00 0.00 179.25 180.45 3dwi h LEU 281 N 1.07 -1.15 -1.01 0.00 5.85 -0.95 -0.41 115.31 118.71 3dwi h LEU 281 Ca 0.41 0.05 0.20 0.00 0.84 0.00 0.00 57.88 59.38 3dwi h LEU 281 Cb 0.18 0.32 -0.11 0.00 0.37 0.00 0.00 40.66 41.42 3dwi h LEU 281 CO -0.18 -0.77 0.61 0.00 -0.34 0.00 0.00 178.44 177.76 3dwi h ALA 282 N -1.32 1.70 -0.04 1.25 0.00 -0.11 0.29 119.26 121.03 3dwi h ALA 282 Ca -0.12 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3dwi h ALA 282 Cb 0.98 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.71 3dwi h ALA 282 CO 0.17 -0.09 0.00 0.00 0.00 0.00 0.00 179.25 179.33 3dwi n ALA 283 N -2.32 2.59 -1.61 0.00 0.00 0.12 -4.88 120.51 114.40 3dwi n ALA 283 Ca 0.24 -0.22 -0.16 0.00 0.00 0.00 0.00 53.44 53.30 3dwi n ALA 283 Cb 0.61 -1.24 -0.06 0.00 0.00 0.00 0.00 19.45 18.76 3dwi n ALA 283 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dwi n GLY 284 N 0.88 1.20 3.89 0.00 0.00 0.10 -4.96 105.19 106.30 3dwi n GLY 284 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 3dwi n GLY 284 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dwi s GLU 285 N -3.60 3.66 0.17 1.61 2.02 -0.27 -4.44 118.70 117.85 3dwi s GLU 285 Ca 0.00 0.25 -0.25 0.00 0.02 0.00 0.00 54.97 54.99 3dwi s GLU 285 Cb 0.00 -2.45 -0.08 0.00 0.10 0.00 0.00 34.13 31.70 3dwi s GLU 285 CO 0.00 -0.03 0.78 0.50 0.02 0.00 0.00 175.26 176.53 3dwi s ARG 286 N -4.11 4.58 -0.04 1.61 3.52 -1.26 -4.43 118.95 118.82 3dwi s ARG 286 Ca 0.48 1.17 -0.02 0.00 -0.13 0.00 0.00 55.73 57.23 3dwi s ARG 286 Cb -0.10 -3.26 0.03 0.00 -1.56 0.00 0.00 34.95 30.06 3dwi s ARG 286 CO 0.36 0.57 0.08 0.00 -0.81 0.00 0.00 175.30 175.49 3dwi s ALA 287 N -1.14 0.10 -0.44 6.12 0.00 -0.10 -4.98 121.76 121.32 3dwi s ALA 287 Ca 0.36 0.31 -0.08 0.00 0.00 0.00 0.00 51.96 52.54 3dwi s ALA 287 Cb -0.23 -0.56 0.10 0.00 0.00 0.00 0.00 23.12 22.42 3dwi s ALA 287 CO 0.26 -0.40 0.29 -0.51 0.00 0.00 0.00 175.76 175.40 3dwi s ASP 288 N 1.90 5.62 -0.26 0.00 1.01 -1.26 0.76 116.67 124.43 3dwi s ASP 288 Ca 0.01 -1.74 -0.11 0.00 0.71 0.00 0.00 52.55 51.42 3dwi s ASP 288 Cb -0.12 -1.98 -0.05 0.00 1.01 0.00 0.00 42.92 41.78 3dwi s ASP 288 CO -0.04 -0.61 0.17 -0.63 0.21 0.00 0.00 175.17 174.28 3dwi s ILE 289 N 1.36 5.30 -0.16 0.77 1.01 0.26 0.44 121.20 130.18 3dwi s ILE 289 Ca 0.05 0.16 -0.12 0.00 0.00 0.00 0.00 60.65 60.74 3dwi s ILE 289 Cb -0.24 -3.50 -0.05 0.00 0.01 0.00 0.00 42.46 38.68 3dwi s ILE 289 CO 0.00 0.30 0.23 0.00 0.00 0.00 0.00 174.94 175.47 3dwi s ALA 290 N 1.41 3.66 0.06 9.38 0.00 0.15 0.10 121.76 136.53 3dwi s ALA 290 Ca 0.07 -0.54 0.05 0.00 0.00 0.00 0.00 51.96 51.55 3dwi s ALA 290 Cb -0.15 -2.27 -0.03 0.00 0.00 0.00 0.00 23.12 20.67 3dwi s ALA 290 CO 0.08 0.19 -0.15 -0.48 0.00 0.00 0.00 175.76 175.40 3dwi s LEU 291 N 0.18 2.24 -0.11 0.00 0.05 0.29 -1.40 118.68 119.93 3dwi s LEU 291 Ca 0.14 -0.56 -0.20 0.00 0.05 0.00 0.00 54.13 53.55 3dwi s LEU 291 Cb -0.12 -0.60 -0.04 0.00 -2.05 0.00 0.00 46.19 43.38 3dwi s LEU 291 CO 0.03 -0.02 0.58 -0.69 -0.55 0.00 0.00 176.35 175.69 3dwi s VAL 292 N -1.10 5.12 -0.93 1.48 1.01 -0.02 -0.15 120.40 125.81 3dwi s VAL 292 Ca 0.00 1.16 -0.12 0.00 0.00 0.00 0.00 61.98 63.02 3dwi s VAL 292 Cb -0.09 -3.91 0.24 0.00 0.00 0.00 0.00 36.38 32.61 3dwi s VAL 292 CO 0.02 0.27 0.89 -0.69 0.00 0.00 0.00 175.10 175.59 3dwi s VAL 293 N 0.85 5.73 0.54 2.92 1.01 -0.41 -4.78 120.40 126.25 3dwi s VAL 293 Ca 0.30 -2.77 0.23 0.00 0.00 0.00 0.00 61.98 59.74 3dwi s VAL 293 Cb -0.16 -4.52 0.36 0.00 0.00 0.00 0.00 36.38 32.05 3dwi s VAL 293 CO 0.13 -1.09 2.05 0.00 0.00 0.00 0.00 175.10 176.19 3dwi h ALA 294 N 7.42 2.26 -2.27 5.51 0.00 -1.92 -0.08 119.26 130.19 3dwi h ALA 294 Ca 0.13 -0.01 0.18 0.00 0.00 0.00 0.00 54.91 55.22 3dwi h ALA 294 Cb 0.98 0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.71 3dwi h ALA 294 CO 0.84 -0.43 0.51 0.16 0.00 0.00 0.00 179.25 180.34 3dwi s ASP 295 N -6.37 -0.18 0.58 0.00 -4.77 -1.26 -0.08 116.67 104.58 3dwi s ASP 295 Ca -0.05 -0.36 -0.04 0.00 -3.30 0.00 0.00 52.55 48.81 3dwi s ASP 295 Cb 0.18 0.46 0.02 0.00 -1.09 0.00 0.00 42.92 42.49 3dwi s ASP 295 CO 0.69 -0.84 0.86 0.00 0.70 0.00 0.00 175.17 176.58 3dwi s ALA 296 N -3.21 3.45 -0.08 2.11 0.00 -1.24 0.67 121.76 123.46 3dwi s ALA 296 Ca 0.12 -0.91 0.14 0.00 0.00 0.00 0.00 51.96 51.31 3dwi s ALA 296 Cb -0.01 -2.43 0.10 0.00 0.00 0.00 0.00 23.12 20.77 3dwi s ALA 296 CO 0.01 -0.81 1.45 0.78 0.00 0.00 0.00 175.76 177.20 3dwi h GLY 297 N -0.11 0.00 -0.72 0.00 0.00 -1.13 -2.81 103.07 98.30 3dwi h GLY 297 Ca -0.45 0.00 0.11 0.00 0.00 0.00 0.00 47.33 47.00 3dwi h GLY 297 CO 0.59 0.00 -0.27 0.79 0.00 0.00 0.00 176.54 177.64 3dwi n TRP 298 N -3.28 0.04 0.26 5.60 7.02 -1.26 0.24 117.44 126.06 3dwi n TRP 298 Ca 0.01 0.89 0.10 0.00 -1.02 0.00 0.00 57.50 57.48 3dwi n TRP 298 Cb 0.74 -0.78 0.70 0.00 -2.42 0.00 0.00 31.31 29.55 3dwi n TRP 298 CO 0.00 0.00 0.00 1.57 -2.02 0.00 0.00 177.69 177.24 3dwi h LYS 299 N 0.00 0.00 0.00 -0.99 -0.00 -1.99 -3.07 116.57 110.52 3dwi h LYS 299 Ca 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.91 3dwi h LYS 299 Cb 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.67 3dwi h LYS 299 CO -0.72 0.00 -0.76 0.66 -0.00 0.00 0.00 179.45 178.63 3dwi n TYR 300 N -4.40 0.25 -0.32 0.07 4.01 0.67 -4.48 117.16 112.96 3dwi n TYR 300 Ca -0.03 0.07 -0.08 0.00 -0.16 0.00 0.00 57.90 57.70 3dwi n TYR 300 Cb 0.09 -0.41 -0.08 0.00 -0.31 0.00 0.00 39.34 38.64 3dwi n TYR 300 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3dwi n LEU 301 N -1.84 -0.81 -0.30 7.72 7.99 -0.84 -0.16 117.00 128.75 3dwi n LEU 301 Ca 0.03 1.55 0.28 0.00 -0.01 0.00 0.00 56.01 57.87 3dwi n LEU 301 Cb 0.40 -0.27 0.50 0.00 -0.11 0.00 0.00 43.42 43.93 3dwi n LEU 301 CO 0.38 -1.20 0.89 -0.24 -1.51 0.00 0.00 177.39 175.71 3dwi n SER 302 N -4.74 0.23 0.22 -1.43 2.88 -1.26 0.62 113.62 110.14 3dwi n SER 302 Ca 0.02 1.22 0.15 0.00 -1.33 0.00 0.00 58.87 58.93 3dwi n SER 302 Cb 0.20 -0.60 0.80 0.00 -0.75 0.00 0.00 64.21 63.86 3dwi n SER 302 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 3dwi h THR 303 N 0.00 0.00 0.00 2.46 1.35 -0.84 -3.45 112.91 112.43 3dwi h THR 303 Ca 0.68 -0.03 0.00 0.00 -0.55 0.00 0.00 66.41 66.52 3dwi h THR 303 Cb 1.98 0.70 0.00 0.00 -1.73 0.00 0.00 68.15 69.10 3dwi h THR 303 CO -0.51 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.37 3dwi n GLY 304 N -1.12 0.48 0.25 5.82 0.00 0.20 -4.91 105.19 105.91 3dwi n GLY 304 Ca -0.02 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.12 3dwi n GLY 304 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dwi h ALA 305 N 0.00 1.31 0.00 4.61 0.00 -1.76 -2.97 119.26 120.45 3dwi h ALA 305 Ca 0.00 -0.13 -0.22 0.00 0.00 0.00 0.00 54.91 54.56 3dwi h ALA 305 Cb 0.14 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 3dwi h ALA 305 CO 0.00 0.18 -1.43 1.88 0.00 0.00 0.00 179.25 179.88 3dwi h TYR 306 N 0.00 0.00 -2.89 0.00 0.05 -1.87 -3.45 116.97 108.81 3dwi h TYR 306 Ca -0.00 0.00 -0.64 0.00 0.05 0.00 0.00 58.73 58.14 3dwi h TYR 306 Cb 0.37 0.00 -0.08 0.00 1.01 0.00 0.00 36.73 38.03 3dwi h TYR 306 CO 0.00 0.79 -0.43 0.00 -1.05 0.00 0.00 178.16 177.47 3dwi s ALA 307 N -2.77 3.79 0.00 3.88 0.00 -1.12 -4.99 121.76 120.54 3dwi s ALA 307 Ca -0.03 -0.57 0.00 0.00 0.00 0.00 0.00 51.96 51.36 3dwi s ALA 307 Cb 0.08 -2.11 0.00 0.00 0.00 0.00 0.00 23.12 21.09 3dwi s ALA 307 CO 0.81 0.45 0.00 0.41 0.00 0.00 0.00 175.76 177.44 3dwi n GLY 308 N 2.41 -1.05 3.76 0.00 0.00 -1.26 -4.90 105.19 104.15 3dwi n GLY 308 Ca -0.17 -2.04 -0.39 0.00 0.00 0.00 0.00 46.02 43.41 3dwi n GLY 308 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3dwi s SER 309 N -4.00 5.75 0.49 1.61 1.04 -1.26 -4.86 113.70 112.48 3dwi s SER 309 Ca 0.00 2.78 0.33 0.00 0.48 0.00 0.00 55.95 59.54 3dwi s SER 309 Cb 0.00 -2.64 1.64 0.00 0.10 0.00 0.00 66.02 65.12 3dwi s SER 309 CO 0.00 -1.24 2.00 -0.07 0.98 0.00 0.00 173.24 174.91 3dwi h LEU 310 N 2.06 0.00 -8.49 2.42 -0.00 -1.95 -3.40 115.31 105.96 3dwi h LEU 310 Ca -0.51 0.00 -0.33 0.00 -0.00 0.00 0.00 57.88 57.04 3dwi h LEU 310 Cb 1.27 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.93 3dwi h LEU 310 CO 0.60 0.00 1.08 -1.81 -0.00 0.00 0.00 178.44 178.31 3dwi s ASP 311 N -4.87 4.47 -0.58 -0.43 1.11 -1.26 -4.84 116.67 110.27 3dwi s ASP 311 Ca -0.01 0.54 0.06 0.00 0.18 0.00 0.00 52.55 53.32 3dwi s ASP 311 Cb 0.10 -2.52 0.28 0.00 1.07 0.00 0.00 42.92 41.84 3dwi s ASP 311 CO 0.39 -3.07 0.77 0.47 1.18 0.00 0.00 175.17 174.92 3dwi n ASP 312 N 16.02 3.34 -2.55 0.27 8.00 -1.26 -4.89 116.55 135.48 3dwi n ASP 312 Ca 0.37 -3.39 0.00 0.00 0.71 0.00 0.00 54.79 52.48 3dwi n ASP 312 Cb 0.51 -0.64 0.00 0.00 -0.02 0.00 0.00 41.12 40.97 3dwi n ASP 312 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3dwi n ALA 313 N 0.60 0.00 -1.93 2.24 0.00 -1.26 -5.03 120.51 115.13 3dwi n ALA 313 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.73 3dwi n ALA 313 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.88 3dwi n ALA 313 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59