#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d2u n LYS 5 N 0.00 2.58 -1.49 -0.52 2.85 -1.26 -4.63 118.16 115.69 3d2u n LYS 5 Ca 0.00 0.91 -0.29 0.00 -1.05 0.00 0.00 58.31 57.87 3d2u n LYS 5 Cb 0.00 -2.62 0.18 0.00 -0.65 0.00 0.00 35.03 31.94 3d2u n LYS 5 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 3d2u s PRO 6 N -1.77 0.32 -0.09 -1.58 0.04 -1.26 -4.93 135.00 125.73 3d2u s PRO 6 Ca 0.56 0.02 -0.01 0.00 0.04 0.00 0.00 61.00 61.61 3d2u s PRO 6 Cb -0.50 -1.77 -0.03 0.00 0.04 0.00 0.00 34.50 32.24 3d2u s PRO 6 CO 0.61 -2.70 -0.03 0.99 0.04 0.00 0.00 177.00 175.91 3d2u s THR 7 N -3.34 4.04 -0.11 1.26 2.01 0.13 -4.34 115.64 115.30 3d2u s THR 7 Ca 0.68 -0.34 0.02 0.00 0.31 0.00 0.00 61.69 62.36 3d2u s THR 7 Cb -0.11 -2.69 0.01 0.00 0.01 0.00 0.00 72.50 69.72 3d2u s THR 7 CO 0.54 0.59 -0.15 -0.22 -0.69 0.00 0.00 174.62 174.69 3d2u s LEU 8 N -0.67 1.71 0.24 4.42 2.96 -1.25 -0.87 118.68 125.22 3d2u s LEU 8 Ca 0.10 -0.42 -0.01 0.00 -0.22 0.00 0.00 54.13 53.58 3d2u s LEU 8 Cb -0.12 -1.07 -0.03 0.00 0.50 0.00 0.00 46.19 45.47 3d2u s LEU 8 CO 0.02 0.02 0.23 -1.66 -1.32 0.00 0.00 176.35 173.63 3d2u s TRP 9 N 0.98 1.14 0.09 5.38 -2.14 0.21 -4.90 118.94 119.70 3d2u s TRP 9 Ca -0.07 -1.33 0.09 0.00 2.66 0.00 0.00 56.10 57.45 3d2u s TRP 9 Cb -0.15 -0.45 -0.03 0.00 -3.10 0.00 0.00 33.47 29.74 3d2u s TRP 9 CO -0.01 -0.76 -0.24 0.00 -2.66 0.00 0.00 176.95 173.28 3d2u s ALA 10 N -3.94 2.04 -0.05 2.67 0.00 -1.26 0.10 121.76 121.32 3d2u s ALA 10 Ca 0.36 -1.28 0.01 0.00 0.00 0.00 0.00 51.96 51.06 3d2u s ALA 10 Cb 0.05 -0.34 0.02 0.00 0.00 0.00 0.00 23.12 22.84 3d2u s ALA 10 CO 0.15 0.45 -0.05 -1.21 0.00 0.00 0.00 175.76 175.09 3d2u s GLU 11 N -1.69 0.93 0.31 0.00 0.41 -0.51 -3.44 118.70 114.71 3d2u s GLU 11 Ca 0.10 -0.15 0.26 0.00 -0.41 0.00 0.00 54.97 54.77 3d2u s GLU 11 Cb -0.10 -0.89 0.96 0.00 -1.78 0.00 0.00 34.13 32.31 3d2u s GLU 11 CO 0.04 -0.06 1.77 -1.00 -0.49 0.00 0.00 175.26 175.52 3d2u h PRO 12 N 7.11 0.00 0.00 0.39 0.13 -1.86 0.64 132.00 138.41 3d2u h PRO 12 Ca -0.38 0.00 0.25 0.00 -0.87 0.00 0.00 66.00 65.00 3d2u h PRO 12 Cb 1.16 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.24 3d2u h PRO 12 CO 0.48 0.00 0.68 0.41 -0.23 0.00 0.00 178.00 179.34 3d2u n GLY 13 N 0.43 0.39 0.15 1.56 0.00 -1.22 -5.04 105.19 101.46 3d2u n GLY 13 Ca 0.03 -1.03 0.12 0.00 0.00 0.00 0.00 46.02 45.14 3d2u n GLY 13 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3d2u n SER 14 N -0.97 0.93 -4.04 1.61 3.41 -1.26 -4.68 113.62 108.62 3d2u n SER 14 Ca 0.02 -0.73 -0.32 0.00 -0.26 0.00 0.00 58.87 57.59 3d2u n SER 14 Cb 0.48 0.34 -0.15 0.00 -0.26 0.00 0.00 64.21 64.62 3d2u n SER 14 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3d2u s VAL 15 N -2.76 2.38 -0.05 -3.33 1.01 -1.26 0.09 120.40 116.48 3d2u s VAL 15 Ca 0.16 -2.21 0.05 0.00 0.00 0.00 0.00 61.98 59.98 3d2u s VAL 15 Cb 0.18 -2.69 -0.02 0.00 0.00 0.00 0.00 36.38 33.85 3d2u s VAL 15 CO 0.64 -0.52 -0.19 -0.63 0.00 0.00 0.00 175.10 174.40 3d2u s ILE 16 N 0.96 2.59 0.24 2.22 1.09 -0.02 -4.99 121.20 123.28 3d2u s ILE 16 Ca 0.08 -0.89 -0.30 0.00 -1.10 0.00 0.00 60.65 58.44 3d2u s ILE 16 Cb -0.20 -1.98 -0.09 0.00 -1.06 0.00 0.00 42.46 39.13 3d2u s ILE 16 CO -0.07 0.58 1.26 0.28 -0.10 0.00 0.00 174.94 176.88 3d2u s THR 17 N -0.43 3.21 0.18 2.92 -1.32 -1.26 -1.87 115.64 117.07 3d2u s THR 17 Ca 0.05 1.07 -0.31 0.00 -1.21 0.00 0.00 61.69 61.28 3d2u s THR 17 Cb -0.12 -3.68 -0.16 0.00 -1.51 0.00 0.00 72.50 67.03 3d2u s THR 17 CO 0.02 0.20 0.95 1.67 -2.21 0.00 0.00 174.62 175.25 3d2u n GLN 18 N 2.01 0.76 0.00 7.08 0.00 -0.40 -1.57 117.38 125.27 3d2u n GLN 18 Ca 0.03 0.27 0.00 0.00 -0.00 0.00 0.00 57.00 57.31 3d2u n GLN 18 Cb 0.43 -1.61 0.00 0.00 0.00 0.00 0.00 30.24 29.06 3d2u n GLN 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3d2u n GLY 19 N 1.78 2.99 3.79 1.69 0.00 0.77 -4.95 105.19 111.27 3d2u n GLY 19 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 3d2u n GLY 19 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3d2u s SER 20 N -0.09 4.71 0.41 1.61 0.01 -0.61 -3.99 113.70 115.76 3d2u s SER 20 Ca 0.00 1.53 -0.02 0.00 1.31 0.00 0.00 55.95 58.77 3d2u s SER 20 Cb 0.00 -2.30 -0.03 0.00 0.21 0.00 0.00 66.02 63.89 3d2u s SER 20 CO 0.00 -1.86 0.66 -2.16 0.41 0.00 0.00 173.24 170.29 3d2u s PRO 21 N -5.05 3.49 -0.13 12.44 0.05 -1.22 -0.38 135.00 144.19 3d2u s PRO 21 Ca 0.60 -0.10 -0.29 0.00 0.05 0.00 0.00 61.00 61.26 3d2u s PRO 21 Cb -0.15 -2.53 0.09 0.00 0.05 0.00 0.00 34.50 31.97 3d2u s PRO 21 CO 0.55 -0.03 0.82 0.54 0.05 0.00 0.00 177.00 178.93 3d2u s VAL 22 N -2.52 0.00 -0.05 -0.36 0.11 -0.49 -4.68 120.40 112.41 3d2u s VAL 22 Ca 0.44 0.00 0.05 0.00 -2.93 0.00 0.00 61.98 59.54 3d2u s VAL 22 Cb -0.10 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.74 3d2u s VAL 22 CO 0.40 0.00 -0.20 -0.89 -3.33 0.00 0.00 175.10 171.08 3d2u s THR 23 N -0.84 1.69 -0.09 5.04 2.01 0.22 -0.95 115.64 122.72 3d2u s THR 23 Ca -0.05 -0.86 -0.13 0.00 0.31 0.00 0.00 61.69 60.96 3d2u s THR 23 Cb -0.01 -1.45 -0.05 0.00 0.01 0.00 0.00 72.50 71.00 3d2u s THR 23 CO 0.05 0.48 0.30 -0.76 -0.69 0.00 0.00 174.62 174.00 3d2u s LEU 24 N -0.03 4.37 -0.04 4.42 1.43 -0.72 -1.42 118.68 126.70 3d2u s LEU 24 Ca -0.04 0.68 0.05 0.00 -1.03 0.00 0.00 54.13 53.79 3d2u s LEU 24 Cb -0.13 -2.39 -0.01 0.00 0.03 0.00 0.00 46.19 43.70 3d2u s LEU 24 CO 0.03 0.26 -0.20 -0.13 0.23 0.00 0.00 176.35 176.55 3d2u s ARG 25 N -0.50 1.87 -0.02 1.70 1.81 0.11 -1.52 118.95 122.40 3d2u s ARG 25 Ca 0.19 -0.70 0.05 0.00 -1.72 0.00 0.00 55.73 53.55 3d2u s ARG 25 Cb -0.14 -1.67 -0.01 0.00 -0.45 0.00 0.00 34.95 32.68 3d2u s ARG 25 CO 0.08 0.33 -0.17 0.00 -0.68 0.00 0.00 175.30 174.86 3d2u s GLN 27 N -0.23 -0.01 -0.44 0.00 2.00 -0.05 -4.49 119.66 116.45 3d2u s GLN 27 Ca 0.03 0.25 0.06 0.00 -2.00 0.00 0.00 55.36 53.70 3d2u s GLN 27 Cb -0.08 -0.24 0.18 0.00 0.80 0.00 0.00 33.01 33.66 3d2u s GLN 27 CO 0.00 -0.18 0.59 0.20 -0.50 0.00 0.00 175.29 175.40 3d2u s GLY 28 N 1.18 -0.82 0.00 2.59 0.00 -1.26 0.22 107.32 109.23 3d2u s GLY 28 Ca -0.08 -0.44 0.00 0.00 0.00 0.00 0.00 44.72 44.20 3d2u s GLY 28 CO -0.04 3.35 0.00 0.61 0.00 0.00 0.00 173.10 177.03 3d2u n GLY 29 N 3.79 -0.78 0.00 0.20 0.00 -1.26 -4.44 105.19 102.70 3d2u n GLY 29 Ca 0.15 -1.11 0.02 0.00 0.00 0.00 0.00 46.02 45.07 3d2u n GLY 29 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3d2u n GLN 30 N 1.47 0.02 -0.04 1.61 1.13 -1.26 -2.95 117.38 117.37 3d2u n GLN 30 Ca 0.00 0.36 0.03 0.00 -1.94 0.00 0.00 57.00 55.45 3d2u n GLN 30 Cb 0.00 -1.50 -0.15 0.00 0.11 0.00 0.00 30.24 28.70 3d2u n GLN 30 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 3d2u n GLU 31 N -1.41 0.78 -1.97 -1.09 -0.58 -1.26 -5.03 120.64 110.07 3d2u n GLU 31 Ca 0.01 -0.11 -0.39 0.00 -0.42 0.00 0.00 57.16 56.25 3d2u n GLU 31 Cb 0.03 -1.45 0.01 0.00 -0.57 0.00 0.00 31.44 29.46 3d2u n GLU 31 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 3d2u s THR 32 N -2.99 2.47 0.00 2.62 -4.23 -1.15 -4.92 115.64 107.44 3d2u s THR 32 Ca -0.08 0.38 0.00 0.00 -1.18 0.00 0.00 61.69 60.82 3d2u s THR 32 Cb 0.10 -3.21 0.00 0.00 1.34 0.00 0.00 72.50 70.73 3d2u s THR 32 CO 0.77 0.02 0.09 0.00 -0.54 0.00 0.00 174.62 174.96 3d2u n GLN 33 N -0.45 0.38 -0.89 3.99 6.02 -1.26 -4.90 117.38 120.26 3d2u n GLN 33 Ca 0.07 -0.09 -0.11 0.00 -0.01 0.00 0.00 57.00 56.86 3d2u n GLN 33 Cb 0.45 -0.48 -0.05 0.00 1.02 0.00 0.00 30.24 31.18 3d2u n GLN 33 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 177.06 175.20 3d2u n GLU 34 N -0.08 1.70 -2.48 -1.09 0.28 -1.26 -4.06 120.64 113.64 3d2u n GLU 34 Ca 0.00 -1.00 -0.39 0.00 -0.16 0.00 0.00 57.16 55.61 3d2u n GLU 34 Cb 0.13 -1.62 -0.04 0.00 1.43 0.00 0.00 31.44 31.34 3d2u n GLU 34 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 3d2u s TYR 35 N -0.34 3.47 -0.02 -1.84 1.51 -1.26 0.45 117.35 119.31 3d2u s TYR 35 Ca 0.36 1.68 0.02 0.00 -1.01 0.00 0.00 57.07 58.12 3d2u s TYR 35 Cb 0.21 -3.25 0.01 0.00 -0.11 0.00 0.00 41.96 38.82 3d2u s TYR 35 CO -0.04 -0.61 -0.05 1.03 -1.11 0.00 0.00 175.55 174.77 3d2u s ARG 36 N -1.78 0.63 0.05 -0.62 1.81 0.16 -4.91 118.95 114.29 3d2u s ARG 36 Ca 0.49 -0.16 0.06 0.00 -1.72 0.00 0.00 55.73 54.41 3d2u s ARG 36 Cb -0.29 -0.64 -0.03 0.00 -0.45 0.00 0.00 34.95 33.55 3d2u s ARG 36 CO 0.37 0.03 -0.18 -1.17 -0.68 0.00 0.00 175.30 173.67 3d2u s LEU 37 N 0.37 2.20 -0.04 2.53 2.96 -1.26 -0.66 118.68 124.77 3d2u s LEU 37 Ca -0.04 -0.54 -0.25 0.00 -0.22 0.00 0.00 54.13 53.08 3d2u s LEU 37 Cb -0.08 -0.79 0.05 0.00 0.50 0.00 0.00 46.19 45.87 3d2u s LEU 37 CO -0.00 0.08 0.54 -0.72 -1.32 0.00 0.00 176.35 174.92 3d2u s TYR 38 N -0.92 -0.48 -0.12 5.38 -0.85 -0.58 -4.96 117.35 114.82 3d2u s TYR 38 Ca 0.04 0.81 -0.13 0.00 -0.52 0.00 0.00 57.07 57.28 3d2u s TYR 38 Cb -0.09 0.29 -0.05 0.00 0.38 0.00 0.00 41.96 42.49 3d2u s TYR 38 CO 0.02 -0.52 0.29 0.50 -1.52 0.00 0.00 175.55 174.32 3d2u s ARG 39 N -1.20 4.05 0.55 -3.49 3.52 -1.26 -1.72 118.95 119.39 3d2u s ARG 39 Ca -0.12 0.13 -0.21 0.00 -0.13 0.00 0.00 55.73 55.40 3d2u s ARG 39 Cb -0.02 -3.34 -0.05 0.00 -1.56 0.00 0.00 34.95 29.98 3d2u s ARG 39 CO 0.08 0.43 1.31 -1.21 -0.81 0.00 0.00 175.30 175.10 3d2u s GLU 40 N -0.11 3.14 0.00 5.12 2.02 0.18 -4.16 118.70 124.89 3d2u s GLU 40 Ca 0.18 2.12 0.00 0.00 0.02 0.00 0.00 54.97 57.29 3d2u s GLU 40 Cb -0.14 -2.20 0.00 0.00 0.10 0.00 0.00 34.13 31.89 3d2u s GLU 40 CO 0.06 -1.16 0.00 1.17 0.02 0.00 0.00 175.26 175.35 3d2u n LYS 41 N -1.11 0.00 -4.42 1.61 4.81 -1.26 -4.71 118.16 113.07 3d2u n LYS 41 Ca 0.11 0.00 -0.34 0.00 -0.87 0.00 0.00 58.31 57.21 3d2u n LYS 41 Cb 0.46 0.00 -0.13 0.00 0.02 0.00 0.00 35.03 35.38 3d2u n LYS 41 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 3d2u s LYS 42 N 0.00 3.53 0.53 1.64 2.20 -1.26 -5.10 119.74 121.28 3d2u s LYS 42 Ca 0.00 -0.59 -0.20 0.00 -0.36 0.00 0.00 55.97 54.82 3d2u s LYS 42 Cb 0.00 -2.85 -0.06 0.00 -1.51 0.00 0.00 37.83 33.41 3d2u s LYS 42 CO 0.00 0.15 1.12 0.95 -0.36 0.00 0.00 175.35 177.21 3d2u s THR 43 N 0.58 3.21 -0.35 3.43 -4.23 -1.26 -4.53 115.64 112.49 3d2u s THR 43 Ca -0.04 0.76 -0.03 0.00 -1.18 0.00 0.00 61.69 61.20 3d2u s THR 43 Cb -0.15 -3.31 0.07 0.00 1.34 0.00 0.00 72.50 70.45 3d2u s THR 43 CO 0.03 -0.15 0.10 0.00 -0.54 0.00 0.00 174.62 174.05 3d2u s ALA 44 N -1.77 2.99 0.42 3.99 0.00 -1.26 -4.99 121.76 121.14 3d2u s ALA 44 Ca 0.72 -2.05 0.11 0.00 0.00 0.00 0.00 51.96 50.74 3d2u s ALA 44 Cb -0.24 -2.19 0.94 0.00 0.00 0.00 0.00 23.12 21.64 3d2u s ALA 44 CO 0.27 -1.48 1.99 -1.35 0.00 0.00 0.00 175.76 175.19 3d2u h PRO 45 N 8.07 0.49 -0.90 0.00 0.11 -1.95 -2.83 132.00 134.97 3d2u h PRO 45 Ca -0.19 -0.03 0.14 0.00 0.11 0.00 0.00 66.00 66.03 3d2u h PRO 45 Cb 1.06 -0.11 -0.07 0.00 0.11 0.00 0.00 31.00 31.99 3d2u h PRO 45 CO 0.61 0.32 0.58 0.11 -0.21 0.00 0.00 178.00 179.41 3d2u h TRP 46 N 0.50 0.86 -0.08 0.65 5.08 -1.98 -2.65 115.95 118.32 3d2u h TRP 46 Ca 0.25 0.02 0.04 0.00 1.08 0.00 0.00 58.89 60.29 3d2u h TRP 46 Cb 0.36 -0.27 -0.06 0.00 -3.00 0.00 0.00 29.16 26.19 3d2u h TRP 46 CO -0.00 0.32 -0.30 0.82 -1.28 0.00 0.00 178.44 178.00 3d2u h ILE 47 N 0.73 0.33 0.00 0.12 2.04 -1.90 -0.81 117.51 118.02 3d2u h ILE 47 Ca 0.45 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.31 3d2u h ILE 47 Cb 0.68 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 37.09 3d2u h ILE 47 CO -0.21 0.00 0.00 0.35 0.00 0.00 0.00 178.15 178.29 3d2u n THR 48 N -5.40 0.31 0.97 -0.27 -2.24 -1.00 -1.20 114.28 105.44 3d2u n THR 48 Ca -0.04 0.08 0.11 0.00 -2.27 0.00 0.00 64.05 61.93 3d2u n THR 48 Cb 0.31 -0.85 0.09 0.00 -2.10 0.00 0.00 70.33 67.78 3d2u n THR 48 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3d2u n ARG 49 N -1.14 0.02 -2.05 -0.78 1.74 -0.32 -4.91 116.66 109.22 3d2u n ARG 49 Ca 0.09 -0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.75 3d2u n ARG 49 Cb 0.08 -1.51 -0.03 0.00 -1.02 0.00 0.00 32.46 29.98 3d2u n ARG 49 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3d2u s ILE 50 N -3.01 3.18 0.27 0.55 1.01 -0.34 -4.93 121.20 117.93 3d2u s ILE 50 Ca 0.09 0.72 -0.29 0.00 0.00 0.00 0.00 60.65 61.17 3d2u s ILE 50 Cb 0.17 -3.46 -0.14 0.00 0.01 0.00 0.00 42.46 39.04 3d2u s ILE 50 CO 0.77 0.02 1.11 -2.65 0.00 0.00 0.00 174.94 174.19 3d2u n PRO 51 N 4.94 1.48 0.03 2.79 -0.02 -1.26 -4.76 135.00 138.20 3d2u n PRO 51 Ca 0.14 0.52 0.15 0.00 -2.02 0.00 0.00 63.50 62.29 3d2u n PRO 51 Cb 0.41 -1.97 0.62 0.00 -0.02 0.00 0.00 33.50 32.54 3d2u n PRO 51 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 3d2u h GLN 52 N 2.55 0.13 -0.77 -0.52 5.75 -1.97 -0.97 115.11 119.31 3d2u h GLN 52 Ca -0.41 -0.01 0.03 0.00 -0.15 0.00 0.00 58.65 58.11 3d2u h GLN 52 Cb 1.33 -0.03 -0.05 0.00 1.07 0.00 0.00 27.48 29.80 3d2u h GLN 52 CO 0.64 0.08 0.49 0.93 -2.65 0.00 0.00 178.83 178.32 3d2u h GLU 53 N 0.13 0.92 -0.05 1.69 5.08 -1.99 -1.45 114.58 118.91 3d2u h GLU 53 Ca 0.20 -0.06 -0.24 0.00 -1.00 0.00 0.00 59.36 58.27 3d2u h GLU 53 Cb 0.64 -0.21 0.02 0.00 0.50 0.00 0.00 28.75 29.70 3d2u h GLU 53 CO -0.03 0.61 -0.89 -0.07 -1.00 0.00 0.00 179.01 177.64 3d2u h LEU 54 N 0.95 0.87 -0.80 1.33 3.38 -1.49 -3.23 115.31 116.32 3d2u h LEU 54 Ca 0.31 -0.70 0.05 0.00 0.09 0.00 0.00 57.88 57.62 3d2u h LEU 54 Cb 0.01 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.45 3d2u h LEU 54 CO -0.11 1.45 0.50 0.58 0.09 0.00 0.00 178.44 180.94 3d2u h VAL 55 N 0.36 1.06 -0.69 1.22 2.07 -1.10 -0.62 116.25 118.55 3d2u h VAL 55 Ca -0.10 -0.32 0.16 0.00 0.82 0.00 0.00 66.70 67.27 3d2u h VAL 55 Cb 1.54 0.05 -0.04 0.00 -1.52 0.00 0.00 31.29 31.32 3d2u h VAL 55 CO 0.18 0.17 0.48 0.11 0.02 0.00 0.00 177.57 178.52 3d2u h LYS 56 N 0.93 0.24 -0.17 1.57 1.57 -1.29 0.56 116.57 119.97 3d2u h LYS 56 Ca 0.34 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.11 3d2u h LYS 56 Cb 0.12 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.37 3d2u h LYS 56 CO -0.15 0.16 0.00 1.63 -0.57 0.00 0.00 179.45 180.51 3d2u n LYS 57 N -4.43 1.79 -1.96 3.15 5.02 -0.45 -4.41 118.16 116.88 3d2u n LYS 57 Ca 0.13 -1.19 -0.14 0.00 -2.02 0.00 0.00 58.31 55.10 3d2u n LYS 57 Cb 0.59 -1.41 -0.02 0.00 -0.02 0.00 0.00 35.03 34.17 3d2u n LYS 57 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3d2u n GLY 58 N 1.16 0.37 3.46 0.72 0.00 0.20 -4.81 105.19 106.29 3d2u n GLY 58 Ca 0.17 -0.34 -0.36 0.00 0.00 0.00 0.00 46.02 45.49 3d2u n GLY 58 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3d2u s GLN 59 N -4.15 3.67 -0.53 1.61 -0.21 -0.37 -1.52 119.66 118.16 3d2u s GLN 59 Ca 0.00 -0.48 0.04 0.00 0.02 0.00 0.00 55.36 54.93 3d2u s GLN 59 Cb 0.00 -3.22 0.15 0.00 1.00 0.00 0.00 33.01 30.94 3d2u s GLN 59 CO 0.00 -0.07 0.35 -0.06 -2.12 0.00 0.00 175.29 173.39 3d2u s PHE 60 N 1.28 2.40 0.33 0.91 0.40 -0.58 -3.83 117.98 118.88 3d2u s PHE 60 Ca 0.04 -2.77 -0.27 0.00 -0.60 0.00 0.00 56.93 53.33 3d2u s PHE 60 Cb -0.15 -2.00 -0.09 0.00 0.51 0.00 0.00 43.02 41.29 3d2u s PHE 60 CO 0.03 -0.71 1.09 -1.25 0.70 0.00 0.00 175.22 175.08 3d2u s PRO 61 N -0.38 4.44 -0.30 0.24 0.04 -1.26 -1.75 135.00 136.03 3d2u s PRO 61 Ca 0.24 1.72 0.02 0.00 0.04 0.00 0.00 61.00 63.01 3d2u s PRO 61 Cb -0.11 -2.95 0.09 0.00 0.04 0.00 0.00 34.50 31.57 3d2u s PRO 61 CO -0.10 0.06 0.03 0.42 0.04 0.00 0.00 177.00 177.45 3d2u s ILE 62 N -1.33 1.72 0.45 0.56 1.01 -0.13 -4.98 121.20 118.49 3d2u s ILE 62 Ca 0.50 -1.79 0.13 0.00 0.00 0.00 0.00 60.65 59.48 3d2u s ILE 62 Cb -0.29 -2.18 0.21 0.00 0.01 0.00 0.00 42.46 40.20 3d2u s ILE 62 CO 0.37 -0.47 2.02 -0.65 0.00 0.00 0.00 174.94 176.20 3d2u h PRO 63 N 7.83 0.11 -1.95 2.79 0.11 -1.89 -1.29 132.00 137.71 3d2u h PRO 63 Ca -0.11 -0.02 -0.20 0.00 0.11 0.00 0.00 66.00 65.79 3d2u h PRO 63 Cb 1.03 -0.02 -0.31 0.00 0.11 0.00 0.00 31.00 31.82 3d2u h PRO 63 CO 0.48 0.20 -0.52 0.45 -0.21 0.00 0.00 178.00 178.40 3d2u s SER 64 N -6.96 0.56 0.32 -2.05 0.15 -1.26 -3.45 113.70 101.01 3d2u s SER 64 Ca -0.05 -0.06 -0.27 0.00 0.70 0.00 0.00 55.95 56.28 3d2u s SER 64 Cb 0.16 0.97 -0.09 0.00 -1.71 0.00 0.00 66.02 65.34 3d2u s SER 64 CO 0.70 -0.32 0.99 -0.51 1.20 0.00 0.00 173.24 175.30 3d2u s ILE 65 N 2.50 3.97 0.41 6.45 2.07 0.49 -4.82 121.20 132.27 3d2u s ILE 65 Ca 0.11 1.71 0.04 0.00 -1.41 0.00 0.00 60.65 61.10 3d2u s ILE 65 Cb -0.15 -3.99 -0.02 0.00 0.13 0.00 0.00 42.46 38.43 3d2u s ILE 65 CO -0.20 0.21 0.14 0.42 -1.91 0.00 0.00 174.94 173.60 3d2u s THR 66 N -1.48 0.56 0.36 4.00 -4.23 -1.26 -0.16 115.64 113.43 3d2u s THR 66 Ca 0.49 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 59.03 3d2u s THR 66 Cb -0.23 -2.35 0.25 0.00 1.34 0.00 0.00 72.50 71.52 3d2u s THR 66 CO 0.29 0.00 2.00 -0.50 -0.54 0.00 0.00 174.62 175.87 3d2u h TRP 67 N 1.80 0.74 0.00 3.99 4.06 -1.97 -2.33 115.95 122.23 3d2u h TRP 67 Ca -0.35 0.01 -0.01 0.00 2.06 0.00 0.00 58.89 60.60 3d2u h TRP 67 Cb 1.27 -0.25 -0.00 0.00 -1.00 0.00 0.00 29.16 29.18 3d2u h TRP 67 CO 1.54 0.48 -0.05 0.93 -3.56 0.00 0.00 178.44 177.78 3d2u h GLU 68 N 0.79 0.00 0.02 0.49 3.07 -2.01 -2.69 114.58 114.26 3d2u h GLU 68 Ca 0.21 0.00 -0.21 0.00 -0.50 0.00 0.00 59.36 58.86 3d2u h GLU 68 Cb -0.05 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 27.84 3d2u h GLU 68 CO -0.04 0.05 -0.95 0.45 -1.40 0.00 0.00 179.01 177.12 3d2u h HIS 69 N 0.00 0.19 -2.35 4.33 3.86 -1.83 -3.47 115.15 115.89 3d2u h HIS 69 Ca -0.00 -0.12 -0.61 0.00 -1.16 0.00 0.00 60.37 58.48 3d2u h HIS 69 Cb 0.22 -0.02 0.10 0.00 1.06 0.00 0.00 27.41 28.78 3d2u h HIS 69 CO 0.00 1.00 0.17 0.00 0.86 0.00 0.00 177.93 179.96 3d2u n ALA 70 N -2.43 -0.32 0.00 2.45 0.00 -1.01 -4.94 120.51 114.26 3d2u n ALA 70 Ca -0.03 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.82 3d2u n ALA 70 Cb 0.87 -2.03 0.00 0.00 0.00 0.00 0.00 19.45 18.29 3d2u n ALA 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3d2u n GLY 71 N 1.44 -0.84 3.52 0.00 0.00 -0.55 -5.00 105.19 103.77 3d2u n GLY 71 Ca 0.11 -1.28 -0.41 0.00 0.00 0.00 0.00 46.02 44.43 3d2u n GLY 71 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3d2u s ARG 72 N -2.00 3.42 0.22 1.61 3.52 -1.26 0.11 118.95 124.57 3d2u s ARG 72 Ca 0.00 -0.55 0.08 0.00 -0.13 0.00 0.00 55.73 55.13 3d2u s ARG 72 Cb 0.00 -3.85 -0.04 0.00 -1.56 0.00 0.00 34.95 29.50 3d2u s ARG 72 CO 0.00 -0.61 0.05 0.71 -0.81 0.00 0.00 175.30 174.65 3d2u s TYR 73 N 2.00 2.88 0.01 5.12 1.51 0.77 -0.64 117.35 129.01 3d2u s TYR 73 Ca 0.11 -0.15 -0.09 0.00 -1.01 0.00 0.00 57.07 55.93 3d2u s TYR 73 Cb -0.17 -1.33 0.00 0.00 -0.11 0.00 0.00 41.96 40.35 3d2u s TYR 73 CO 0.12 0.55 0.18 1.03 -1.11 0.00 0.00 175.55 176.32 3d2u s ARG 74 N -3.39 0.59 0.20 -0.62 0.52 -0.70 -0.56 118.95 114.99 3d2u s ARG 74 Ca 0.30 -0.47 0.03 0.00 -0.52 0.00 0.00 55.73 55.07 3d2u s ARG 74 Cb -0.08 0.25 -0.05 0.00 0.52 0.00 0.00 34.95 35.59 3d2u s ARG 74 CO 0.21 -0.16 -0.00 0.00 0.02 0.00 0.00 175.30 175.37 3d2u s TYR 76 N -3.56 -0.04 0.03 0.00 -0.85 0.16 -1.07 117.35 112.02 3d2u s TYR 76 Ca 0.26 -0.51 0.05 0.00 -0.52 0.00 0.00 57.07 56.34 3d2u s TYR 76 Cb 0.06 0.77 -0.02 0.00 0.38 0.00 0.00 41.96 43.14 3d2u s TYR 76 CO 0.06 -1.36 -0.14 1.52 -1.52 0.00 0.00 175.55 174.11 3d2u s TYR 77 N -3.11 1.19 -5.00 -3.49 -0.85 -1.26 0.38 117.35 105.21 3d2u s TYR 77 Ca 0.13 -0.33 0.00 0.00 -0.52 0.00 0.00 57.07 56.36 3d2u s TYR 77 Cb -0.05 -0.72 0.00 0.00 0.38 0.00 0.00 41.96 41.57 3d2u s TYR 77 CO 0.09 0.02 0.00 0.41 -1.52 0.00 0.00 175.55 174.55 3d2u n GLY 78 N 2.06 0.11 0.69 5.49 0.00 0.17 -1.62 105.19 112.10 3d2u n GLY 78 Ca -0.17 -1.73 -0.01 0.00 0.00 0.00 0.00 46.02 44.11 3d2u n GLY 78 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3d2u n SER 79 N 3.00 -0.36 0.09 1.61 3.41 2.47 -4.86 113.62 118.98 3d2u n SER 79 Ca 0.00 -1.22 -0.06 0.00 -0.26 0.00 0.00 58.87 57.33 3d2u n SER 79 Cb 0.00 0.60 -0.03 0.00 -0.26 0.00 0.00 64.21 64.51 3d2u n SER 79 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3d2u h ASP 80 N 0.36 -0.27 0.00 4.04 3.32 -2.02 -3.27 116.42 118.58 3d2u h ASP 80 Ca -0.05 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.95 3d2u h ASP 80 Cb 0.22 0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.84 3d2u h ASP 80 CO 0.07 0.20 0.95 0.41 -1.72 0.00 0.00 179.24 179.16 3d2u n THR 81 N -4.99 0.00 0.00 0.35 -1.04 -1.26 -4.36 114.28 102.98 3d2u n THR 81 Ca -0.05 0.95 0.00 0.00 -2.04 0.00 0.00 64.05 62.91 3d2u n THR 81 Cb 0.16 -1.91 0.00 0.00 -1.82 0.00 0.00 70.33 66.76 3d2u n THR 81 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3d2u n ALA 82 N -1.45 0.00 -0.06 2.41 0.00 -1.24 -5.16 120.51 115.01 3d2u n ALA 82 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3d2u n ALA 82 Cb 0.95 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.40 3d2u n ALA 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3d2u n GLY 83 N 0.00 0.63 3.18 0.00 0.00 -1.23 -4.20 105.19 103.57 3d2u n GLY 83 Ca 0.00 -1.19 -0.05 0.00 0.00 0.00 0.00 46.02 44.79 3d2u n GLY 83 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3d2u s ARG 84 N -3.51 0.43 0.53 1.61 0.52 -1.24 0.59 118.95 117.87 3d2u s ARG 84 Ca 0.00 0.93 -0.04 0.00 -0.52 0.00 0.00 55.73 56.10 3d2u s ARG 84 Cb 0.00 0.20 0.11 0.00 0.52 0.00 0.00 34.95 35.78 3d2u s ARG 84 CO 0.00 -0.46 0.72 -1.13 0.02 0.00 0.00 175.30 174.45 3d2u n SER 85 N 5.40 0.61 -4.80 0.23 3.41 -0.64 -5.00 113.62 112.84 3d2u n SER 85 Ca -0.06 -1.60 -0.31 0.00 -0.26 0.00 0.00 58.87 56.64 3d2u n SER 85 Cb 0.50 -0.50 0.06 0.00 -0.26 0.00 0.00 64.21 64.01 3d2u n SER 85 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3d2u s GLU 86 N -4.40 2.72 0.33 4.33 2.12 -1.26 -4.78 118.70 117.76 3d2u s GLU 86 Ca 0.45 1.01 -0.25 0.00 0.36 0.00 0.00 54.97 56.55 3d2u s GLU 86 Cb -0.02 -1.96 -0.10 0.00 0.26 0.00 0.00 34.13 32.31 3d2u s GLU 86 CO 0.30 -1.27 0.93 -1.12 -0.54 0.00 0.00 175.26 173.56 3d2u s SER 87 N -3.68 7.26 1.10 -1.70 0.01 -1.26 -4.26 113.70 111.18 3d2u s SER 87 Ca 0.59 1.78 -0.15 0.00 1.31 0.00 0.00 55.95 59.48 3d2u s SER 87 Cb -0.15 -2.56 0.24 0.00 0.21 0.00 0.00 66.02 63.76 3d2u s SER 87 CO 0.55 -0.10 1.09 -0.94 0.41 0.00 0.00 173.24 174.25 3d2u s SER 88 N -1.70 1.72 0.52 2.44 1.04 -0.23 -4.78 113.70 112.70 3d2u s SER 88 Ca 0.51 0.98 -0.22 0.00 0.48 0.00 0.00 55.95 57.70 3d2u s SER 88 Cb -0.17 -1.50 -0.06 0.00 0.10 0.00 0.00 66.02 64.40 3d2u s SER 88 CO 0.22 -3.67 1.32 -1.81 0.98 0.00 0.00 173.24 170.28 3d2u s ASP 89 N -3.54 5.50 0.45 7.02 -0.00 -1.26 -4.69 116.67 120.15 3d2u s ASP 89 Ca 0.68 2.67 -0.23 0.00 -0.00 0.00 0.00 52.55 55.67 3d2u s ASP 89 Cb -0.16 -2.63 -0.08 0.00 -0.00 0.00 0.00 42.92 40.06 3d2u s ASP 89 CO 0.58 -1.41 1.17 -2.16 -0.00 0.00 0.00 175.17 173.35 3d2u s PRO 90 N -2.83 3.82 -0.15 8.23 0.04 -1.26 -4.73 135.00 138.11 3d2u s PRO 90 Ca 0.69 1.79 0.01 0.00 0.04 0.00 0.00 61.00 63.53 3d2u s PRO 90 Cb -0.38 -2.47 0.01 0.00 0.04 0.00 0.00 34.50 31.70 3d2u s PRO 90 CO 0.45 -0.50 -0.18 -1.17 0.04 0.00 0.00 177.00 175.64 3d2u s LEU 91 N -2.91 2.30 -0.51 -3.56 0.20 0.28 -4.93 118.68 109.54 3d2u s LEU 91 Ca 0.62 -0.54 -0.21 0.00 0.69 0.00 0.00 54.13 54.69 3d2u s LEU 91 Cb -0.29 -1.51 0.05 0.00 -0.43 0.00 0.00 46.19 44.01 3d2u s LEU 91 CO 0.36 0.07 0.72 -1.61 -0.29 0.00 0.00 176.35 175.60 3d2u s GLU 92 N 0.88 3.20 -0.46 1.98 2.02 -1.26 -0.16 118.70 124.90 3d2u s GLU 92 Ca -0.05 -0.65 -0.23 0.00 0.02 0.00 0.00 54.97 54.07 3d2u s GLU 92 Cb -0.15 -4.07 0.03 0.00 0.10 0.00 0.00 34.13 30.04 3d2u s GLU 92 CO -0.02 -1.28 0.77 -1.17 0.02 0.00 0.00 175.26 173.58 3d2u s LEU 93 N 3.04 4.29 -0.11 1.80 2.96 0.12 -4.73 118.68 126.05 3d2u s LEU 93 Ca 0.20 -0.17 -0.03 0.00 -0.22 0.00 0.00 54.13 53.91 3d2u s LEU 93 Cb -0.17 -2.92 -0.03 0.00 0.50 0.00 0.00 46.19 43.57 3d2u s LEU 93 CO 0.15 -0.92 0.03 -0.69 -1.32 0.00 0.00 176.35 173.60 3d2u s VAL 94 N 3.26 4.52 -0.08 1.68 1.01 0.11 -1.48 120.40 129.41 3d2u s VAL 94 Ca 0.29 -0.16 0.02 0.00 0.00 0.00 0.00 61.98 62.12 3d2u s VAL 94 Cb -0.13 -2.93 -0.02 0.00 0.00 0.00 0.00 36.38 33.30 3d2u s VAL 94 CO 0.22 0.58 -0.13 -0.69 0.00 0.00 0.00 175.10 175.08 3d2u s VAL 95 N -0.65 3.13 0.28 2.92 1.01 -0.43 -0.84 120.40 125.82 3d2u s VAL 95 Ca 0.11 -0.67 0.10 0.00 0.00 0.00 0.00 61.98 61.52 3d2u s VAL 95 Cb -0.12 -2.27 -0.05 0.00 0.00 0.00 0.00 36.38 33.94 3d2u s VAL 95 CO 0.02 0.56 -0.15 0.42 0.00 0.00 0.00 175.10 175.96 3d2u s THR 96 N -0.29 2.17 0.00 3.92 -4.23 -0.78 -1.24 115.64 115.19 3d2u s THR 96 Ca 0.02 -2.29 0.00 0.00 -1.18 0.00 0.00 61.69 58.25 3d2u s THR 96 Cb -0.13 -2.34 0.00 0.00 1.34 0.00 0.00 72.50 71.37 3d2u s THR 96 CO 0.03 -0.38 0.00 0.61 -0.54 0.00 0.00 174.62 174.33 3d2u n GLY 97 N -0.60 0.83 0.28 3.99 0.00 -0.56 -1.28 105.19 107.85 3d2u n GLY 97 Ca -0.06 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.88 3d2u n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d2u h ALA 98 N 0.00 0.77 -3.38 4.61 0.00 -1.73 -3.40 119.26 116.13 3d2u h ALA 98 Ca 0.00 -0.26 -0.65 0.00 0.00 0.00 0.00 54.91 54.00 3d2u h ALA 98 Cb 0.00 -0.22 -0.17 0.00 0.00 0.00 0.00 17.79 17.41 3d2u h ALA 98 CO 0.00 0.53 -0.77 0.71 0.00 0.00 0.00 179.25 179.72 3d2u s TYR 99 N -5.19 2.58 0.42 0.00 1.51 -1.26 -4.91 117.35 110.51 3d2u s TYR 99 Ca -0.12 -0.24 -0.25 0.00 -1.01 0.00 0.00 57.07 55.45 3d2u s TYR 99 Cb 0.13 -1.32 -0.10 0.00 -0.11 0.00 0.00 41.96 40.56 3d2u s TYR 99 CO 0.83 0.45 1.10 0.44 -1.11 0.00 0.00 175.55 177.26 3d2u n ILE 100 N 0.45 2.53 -1.80 2.71 -0.00 -1.26 0.53 119.36 122.52 3d2u n ILE 100 Ca -0.13 -0.50 -0.40 0.00 -0.00 0.00 0.00 62.75 61.72 3d2u n ILE 100 Cb 0.54 -1.30 0.02 0.00 -0.00 0.00 0.00 39.64 38.90 3d2u n ILE 100 CO 0.00 0.00 0.00 -1.59 -0.00 0.00 0.00 176.55 174.96 3d2u s LYS 101 N -2.10 3.64 0.90 6.28 -2.85 -1.26 -4.49 119.74 119.86 3d2u s LYS 101 Ca 0.63 2.41 -0.11 0.00 -1.00 0.00 0.00 55.97 57.89 3d2u s LYS 101 Cb -0.54 -2.63 0.19 0.00 -2.06 0.00 0.00 37.83 32.79 3d2u s LYS 101 CO 0.57 -0.85 1.23 -1.25 0.10 0.00 0.00 175.35 175.15 3d2u s PRO 102 N -2.49 0.88 -0.05 1.78 0.04 -1.26 -4.86 135.00 129.04 3d2u s PRO 102 Ca 0.62 -0.70 0.06 0.00 0.04 0.00 0.00 61.00 61.02 3d2u s PRO 102 Cb -0.43 -2.00 -0.01 0.00 0.04 0.00 0.00 34.50 32.09 3d2u s PRO 102 CO 0.56 -2.16 -0.24 0.95 0.04 0.00 0.00 177.00 176.15 3d2u s THR 103 N -3.67 1.93 -0.12 1.26 -4.23 0.61 -4.25 115.64 107.17 3d2u s THR 103 Ca 0.72 -1.01 -0.03 0.00 -1.18 0.00 0.00 61.69 60.20 3d2u s THR 103 Cb -0.04 -1.63 -0.03 0.00 1.34 0.00 0.00 72.50 72.14 3d2u s THR 103 CO 0.50 0.54 -0.03 -0.22 -0.54 0.00 0.00 174.62 174.88 3d2u s LEU 104 N -0.21 3.37 0.07 4.79 2.96 -1.26 -0.62 118.68 127.78 3d2u s LEU 104 Ca -0.01 -0.02 0.02 0.00 -0.22 0.00 0.00 54.13 53.90 3d2u s LEU 104 Cb -0.13 -1.79 -0.03 0.00 0.50 0.00 0.00 46.19 44.74 3d2u s LEU 104 CO 0.03 0.26 -0.07 -0.94 -1.32 0.00 0.00 176.35 174.31 3d2u s SER 105 N -0.21 0.97 -0.34 3.68 1.04 -0.14 -4.95 113.70 113.75 3d2u s SER 105 Ca 0.04 -0.79 -0.17 0.00 0.48 0.00 0.00 55.95 55.51 3d2u s SER 105 Cb -0.13 0.07 -0.01 0.00 0.10 0.00 0.00 66.02 66.06 3d2u s SER 105 CO 0.02 -0.35 0.47 0.00 0.98 0.00 0.00 173.24 174.36 3d2u s ALA 106 N -2.58 3.49 0.00 5.32 0.00 -1.26 -0.78 121.76 125.95 3d2u s ALA 106 Ca 0.01 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 50.95 3d2u s ALA 106 Cb -0.02 -2.94 0.00 0.00 0.00 0.00 0.00 23.12 20.16 3d2u s ALA 106 CO -0.03 -1.12 0.51 0.94 0.00 0.00 0.00 175.76 176.07 3d2u n GLN 107 N 5.62 0.00 -0.02 0.00 -0.06 0.72 -2.88 117.38 120.76 3d2u n GLN 107 Ca -0.06 0.38 -0.12 0.00 -2.00 0.00 0.00 57.00 55.20 3d2u n GLN 107 Cb 0.49 -1.01 -0.07 0.00 -4.06 0.00 0.00 30.24 25.58 3d2u n GLN 107 CO 0.00 0.00 0.00 -1.00 -0.20 0.00 0.00 177.06 175.86 3d2u h PRO 108 N 0.00 0.12 -2.40 3.69 0.13 -1.96 -3.47 132.00 128.10 3d2u h PRO 108 Ca 0.00 -0.04 0.03 0.00 -0.87 0.00 0.00 66.00 65.12 3d2u h PRO 108 Cb 0.00 -0.01 -0.16 0.00 0.13 0.00 0.00 31.00 30.96 3d2u h PRO 108 CO 0.00 0.37 0.35 0.45 -0.23 0.00 0.00 178.00 178.94 3d2u s SER 109 N -5.60 -0.49 0.15 1.44 0.15 -1.14 -5.02 113.70 103.18 3d2u s SER 109 Ca -0.14 0.17 0.24 0.00 0.70 0.00 0.00 55.95 56.92 3d2u s SER 109 Cb 0.05 0.48 0.92 0.00 -1.71 0.00 0.00 66.02 65.76 3d2u s SER 109 CO 0.69 -0.71 1.75 -0.81 1.20 0.00 0.00 173.24 175.36 3d2u n PRO 110 N 0.02 0.15 -3.60 5.44 -0.04 -1.26 -4.64 135.00 131.07 3d2u n PRO 110 Ca -0.14 0.23 -0.37 0.00 -0.04 0.00 0.00 63.50 63.18 3d2u n PRO 110 Cb 0.62 -1.71 -0.09 0.00 -0.04 0.00 0.00 33.50 32.27 3d2u n PRO 110 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3d2u s VAL 111 N -3.12 5.32 0.09 0.52 1.01 -1.26 -0.91 120.40 122.05 3d2u s VAL 111 Ca 0.09 0.26 0.07 0.00 0.00 0.00 0.00 61.98 62.40 3d2u s VAL 111 Cb 0.13 -3.54 -0.03 0.00 0.00 0.00 0.00 36.38 32.93 3d2u s VAL 111 CO 0.48 0.31 -0.18 -0.69 0.00 0.00 0.00 175.10 175.03 3d2u s VAL 112 N 1.24 1.44 0.79 2.92 1.01 0.85 -4.95 120.40 123.71 3d2u s VAL 112 Ca 0.09 -1.43 -0.11 0.00 0.00 0.00 0.00 61.98 60.53 3d2u s VAL 112 Cb -0.14 -1.33 0.08 0.00 0.00 0.00 0.00 36.38 34.99 3d2u s VAL 112 CO 0.06 -0.13 1.15 0.20 0.00 0.00 0.00 175.10 176.38 3d2u s ASN 113 N -1.82 4.50 0.49 3.32 0.01 -1.26 0.20 114.94 120.38 3d2u s ASN 113 Ca 0.03 0.68 -0.20 0.00 -0.71 0.00 0.00 52.86 52.65 3d2u s ASN 113 Cb -0.10 -1.18 -0.08 0.00 0.41 0.00 0.00 41.25 40.30 3d2u s ASN 113 CO 0.03 -1.88 1.03 -0.44 -1.51 0.00 0.00 177.10 174.33 3d2u s SER 114 N -4.58 6.37 0.00 -1.22 0.01 -1.26 -2.63 113.70 110.39 3d2u s SER 114 Ca 0.62 1.89 0.00 0.00 1.31 0.00 0.00 55.95 59.77 3d2u s SER 114 Cb -0.11 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.57 3d2u s SER 114 CO 0.48 -0.76 0.00 0.61 0.41 0.00 0.00 173.24 173.98 3d2u n GLY 115 N -0.37 1.76 3.79 3.44 0.00 0.73 -4.92 105.19 109.62 3d2u n GLY 115 Ca 0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 3d2u n GLY 115 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3d2u s GLY 116 N -2.00 2.63 0.21 -0.02 0.00 -1.08 -4.50 107.32 102.56 3d2u s GLY 116 Ca 0.00 0.63 0.04 0.00 0.00 0.00 0.00 44.72 45.39 3d2u s GLY 116 CO 0.00 1.01 0.30 0.21 0.00 0.00 0.00 173.10 174.62 3d2u s ASN 117 N -1.76 6.19 -0.03 1.64 2.47 -1.26 -1.74 114.94 120.45 3d2u s ASN 117 Ca 0.61 0.06 -0.05 0.00 0.42 0.00 0.00 52.86 53.89 3d2u s ASN 117 Cb -0.19 -1.80 0.01 0.00 -1.45 0.00 0.00 41.25 37.82 3d2u s ASN 117 CO 0.23 -0.02 0.13 0.54 -3.72 0.00 0.00 177.10 174.26 3d2u s VAL 118 N -1.91 0.04 -0.26 -5.21 0.11 0.69 -4.94 120.40 108.92 3d2u s VAL 118 Ca 0.34 -0.31 -0.15 0.00 -2.93 0.00 0.00 61.98 58.92 3d2u s VAL 118 Cb -0.10 -0.29 -0.04 0.00 -1.53 0.00 0.00 36.38 34.43 3d2u s VAL 118 CO 0.28 -0.17 0.38 -0.89 -3.33 0.00 0.00 175.10 171.37 3d2u s THR 119 N -0.56 5.17 -0.14 5.04 2.01 -1.26 0.11 115.64 126.01 3d2u s THR 119 Ca -0.06 0.60 -0.04 0.00 0.31 0.00 0.00 61.69 62.50 3d2u s THR 119 Cb -0.04 -3.71 -0.03 0.00 0.01 0.00 0.00 72.50 68.73 3d2u s THR 119 CO 0.01 0.17 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.33 3d2u s LEU 120 N 1.96 3.41 -0.11 4.42 1.43 0.20 0.26 118.68 130.25 3d2u s LEU 120 Ca 0.16 -0.03 0.03 0.00 -1.03 0.00 0.00 54.13 53.26 3d2u s LEU 120 Cb -0.16 -1.82 -0.01 0.00 0.03 0.00 0.00 46.19 44.24 3d2u s LEU 120 CO 0.09 0.23 -0.20 -1.58 0.23 0.00 0.00 176.35 175.12 3d2u s GLN 121 N 0.03 3.14 -0.25 1.70 0.74 0.04 -0.31 119.66 124.76 3d2u s GLN 121 Ca 0.02 -0.82 -0.06 0.00 0.05 0.00 0.00 55.36 54.55 3d2u s GLN 121 Cb -0.13 -2.40 -0.02 0.00 1.10 0.00 0.00 33.01 31.56 3d2u s GLN 121 CO 0.02 0.20 0.04 0.00 -0.55 0.00 0.00 175.29 175.01 3d2u s ASP 123 N 1.56 4.05 -0.08 0.00 1.01 0.21 -1.13 116.67 122.30 3d2u s ASP 123 Ca 0.06 -0.24 0.03 0.00 0.71 0.00 0.00 52.55 53.10 3d2u s ASP 123 Cb -0.15 -1.16 0.01 0.00 1.01 0.00 0.00 42.92 42.63 3d2u s ASP 123 CO 0.02 0.28 -0.16 -0.55 0.21 0.00 0.00 175.17 174.97 3d2u s SER 124 N -0.31 2.15 0.00 0.27 0.15 -0.97 -0.28 113.70 114.72 3d2u s SER 124 Ca 0.03 -0.37 0.25 0.00 0.70 0.00 0.00 55.95 56.55 3d2u s SER 124 Cb -0.13 -0.99 1.16 0.00 -1.71 0.00 0.00 66.02 64.35 3d2u s SER 124 CO 0.03 0.07 1.83 0.00 1.20 0.00 0.00 173.24 176.36 3d2u n GLN 125 N 3.74 0.16 -4.53 5.44 10.64 -1.26 -4.62 117.38 126.95 3d2u n GLN 125 Ca -0.22 0.06 -0.33 0.00 -1.83 0.00 0.00 57.00 54.68 3d2u n GLN 125 Cb 0.52 -1.50 -0.13 0.00 -0.86 0.00 0.00 30.24 28.27 3d2u n GLN 125 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 3d2u s VAL 126 N -2.81 3.51 -0.27 -0.39 1.01 -1.26 -5.05 120.40 115.13 3d2u s VAL 126 Ca 0.17 -0.49 -0.30 0.00 0.00 0.00 0.00 61.98 61.36 3d2u s VAL 126 Cb 0.17 -2.52 -0.07 0.00 0.00 0.00 0.00 36.38 33.96 3d2u s VAL 126 CO 0.42 0.50 2.23 0.00 0.00 0.00 0.00 175.10 178.26 3d2u n ALA 127 N 3.61 1.56 -2.80 5.51 0.00 -1.26 -4.96 120.51 122.17 3d2u n ALA 127 Ca -0.18 -0.25 -0.15 0.00 0.00 0.00 0.00 53.44 52.87 3d2u n ALA 127 Cb 0.52 -2.85 -0.13 0.00 0.00 0.00 0.00 19.45 17.00 3d2u n ALA 127 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3d2u s PHE 128 N 8.35 0.69 -1.56 0.00 0.40 -1.26 -4.99 117.98 119.61 3d2u s PHE 128 Ca 1.03 -0.36 0.16 0.00 -0.60 0.00 0.00 56.93 57.16 3d2u s PHE 128 Cb -0.45 -0.42 0.01 0.00 0.51 0.00 0.00 43.02 42.67 3d2u s PHE 128 CO 0.38 -0.04 0.88 -0.40 0.70 0.00 0.00 175.22 176.74 3d2u n ASP 129 N 1.94 1.72 -4.26 1.36 5.75 -1.20 -4.72 116.55 117.15 3d2u n ASP 129 Ca -0.19 -1.36 -0.29 0.00 -0.01 0.00 0.00 54.79 52.94 3d2u n ASP 129 Cb 0.56 0.42 -0.16 0.00 -1.03 0.00 0.00 41.12 40.91 3d2u n ASP 129 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 3d2u s GLY 130 N -1.86 1.14 0.00 6.12 0.00 -0.74 -4.89 107.32 107.10 3d2u s GLY 130 Ca 0.14 -1.01 0.00 0.00 0.00 0.00 0.00 44.72 43.85 3d2u s GLY 130 CO 0.39 -0.85 -0.01 -1.36 0.00 0.00 0.00 173.10 171.27 3d2u s PHE 131 N -0.57 0.07 -0.08 1.90 0.40 -1.26 -0.98 117.98 117.46 3d2u s PHE 131 Ca 0.09 -0.08 0.04 0.00 -0.60 0.00 0.00 56.93 56.38 3d2u s PHE 131 Cb -0.09 -0.05 -0.00 0.00 0.51 0.00 0.00 43.02 43.39 3d2u s PHE 131 CO -0.01 -0.03 -0.22 0.42 0.70 0.00 0.00 175.22 176.08 3d2u s ILE 132 N -0.21 1.90 -0.27 0.64 -1.09 0.54 0.23 121.20 122.94 3d2u s ILE 132 Ca -0.02 -0.94 -0.08 0.00 -2.23 0.00 0.00 60.65 57.38 3d2u s ILE 132 Cb -0.02 -1.64 -0.02 0.00 -1.58 0.00 0.00 42.46 39.21 3d2u s ILE 132 CO -0.00 0.53 0.09 -0.22 -1.23 0.00 0.00 174.94 174.10 3d2u s LEU 133 N 0.22 3.63 -0.10 2.97 2.96 0.18 -0.93 118.68 127.61 3d2u s LEU 133 Ca -0.13 -0.37 0.01 0.00 -0.22 0.00 0.00 54.13 53.42 3d2u s LEU 133 Cb -0.16 -1.93 -0.02 0.00 0.50 0.00 0.00 46.19 44.58 3d2u s LEU 133 CO 0.06 -0.09 -0.13 0.00 -1.32 0.00 0.00 176.35 174.87 3d2u s LYS 135 N -0.06 4.26 -0.68 0.00 2.20 -1.26 -0.45 119.74 123.75 3d2u s LYS 135 Ca -0.02 0.16 0.05 0.00 -0.36 0.00 0.00 55.97 55.80 3d2u s LYS 135 Cb -0.14 -3.44 0.21 0.00 -1.51 0.00 0.00 37.83 32.95 3d2u s LYS 135 CO 0.04 0.19 0.62 0.39 -0.36 0.00 0.00 175.35 176.23 3d2u n GLU 136 N 3.69 2.18 0.00 4.03 -0.58 0.55 -4.88 120.64 125.64 3d2u n GLU 136 Ca -0.11 -4.58 0.00 0.00 -0.42 0.00 0.00 57.16 52.05 3d2u n GLU 136 Cb 0.52 -2.28 0.00 0.00 -0.57 0.00 0.00 31.44 29.11 3d2u n GLU 136 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 3d2u n GLN 143 N 1.46 0.00 -4.10 3.49 1.13 -1.26 -4.81 117.38 113.29 3d2u n GLN 143 Ca 0.24 0.00 -0.29 0.00 -1.94 0.00 0.00 57.00 55.01 3d2u n GLN 143 Cb 0.38 0.00 -0.07 0.00 0.11 0.00 0.00 30.24 30.66 3d2u n GLN 143 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3d2u s LEU 145 N -2.54 2.21 0.05 0.00 1.43 0.13 -4.94 118.68 115.03 3d2u s LEU 145 Ca 0.28 -0.56 -0.18 0.00 -1.03 0.00 0.00 54.13 52.65 3d2u s LEU 145 Cb -0.11 -1.32 -0.06 0.00 0.03 0.00 0.00 46.19 44.72 3d2u s LEU 145 CO 0.21 0.27 0.51 0.21 0.23 0.00 0.00 176.35 177.77 3d2u s ASN 146 N -1.20 6.97 0.00 2.29 3.04 -1.26 0.47 114.94 125.25 3d2u s ASN 146 Ca 0.12 1.15 0.00 0.00 0.04 0.00 0.00 52.86 54.17 3d2u s ASN 146 Cb -0.10 -2.32 0.00 0.00 -1.54 0.00 0.00 41.25 37.29 3d2u s ASN 146 CO 0.02 0.29 0.00 -1.54 -3.04 0.00 0.00 177.10 172.83 3d2u n SER 147 N 1.74 0.00 -4.55 -4.21 3.41 0.14 -4.92 113.62 105.22 3d2u n SER 147 Ca -0.12 0.00 -0.40 0.00 -0.26 0.00 0.00 58.87 58.09 3d2u n SER 147 Cb 0.51 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.43 3d2u n SER 147 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3d2u s SER 155 N -0.23 6.08 0.07 4.04 1.04 -1.26 -4.78 113.70 118.66 3d2u s SER 155 Ca 0.00 -0.50 -0.26 0.00 0.48 0.00 0.00 55.95 55.67 3d2u s SER 155 Cb 0.00 -2.56 0.08 0.00 0.10 0.00 0.00 66.02 63.65 3d2u s SER 155 CO 0.00 -1.88 0.73 -0.13 0.98 0.00 0.00 173.24 172.95 3d2u s ARG 156 N 5.81 1.06 0.08 4.02 1.81 -1.26 -2.28 118.95 128.20 3d2u s ARG 156 Ca 0.41 -0.34 0.01 0.00 -1.72 0.00 0.00 55.73 54.09 3d2u s ARG 156 Cb -0.07 0.49 -0.04 0.00 -0.45 0.00 0.00 34.95 34.87 3d2u s ARG 156 CO 0.12 -0.45 -0.06 0.00 -0.68 0.00 0.00 175.30 174.23 3d2u s ALA 157 N -3.26 0.83 -0.02 2.13 0.00 -0.28 -4.96 121.76 116.20 3d2u s ALA 157 Ca 0.02 -1.29 0.03 0.00 0.00 0.00 0.00 51.96 50.72 3d2u s ALA 157 Cb -0.01 0.19 -0.03 0.00 0.00 0.00 0.00 23.12 23.27 3d2u s ALA 157 CO -0.10 -0.27 -0.09 -1.50 0.00 0.00 0.00 175.76 173.81 3d2u s ILE 158 N -3.65 3.50 0.01 0.00 1.10 -1.26 -1.44 121.20 119.46 3d2u s ILE 158 Ca 0.10 -0.74 0.01 0.00 -0.51 0.00 0.00 60.65 59.51 3d2u s ILE 158 Cb 0.06 -2.48 -0.01 0.00 0.15 0.00 0.00 42.46 40.18 3d2u s ILE 158 CO -0.06 0.46 -0.03 -0.36 -2.11 0.00 0.00 174.94 172.84 3d2u s PHE 159 N -0.91 0.30 -0.13 3.50 0.40 0.58 -4.96 117.98 116.75 3d2u s PHE 159 Ca 0.15 -0.17 -0.01 0.00 -0.60 0.00 0.00 56.93 56.29 3d2u s PHE 159 Cb -0.11 -0.19 -0.02 0.00 0.51 0.00 0.00 43.02 43.21 3d2u s PHE 159 CO 0.05 -0.04 -0.10 -1.54 0.70 0.00 0.00 175.22 174.29 3d2u s SER 160 N -0.46 4.29 -0.07 1.36 1.04 -1.26 0.58 113.70 119.18 3d2u s SER 160 Ca -0.03 -0.25 0.03 0.00 0.48 0.00 0.00 55.95 56.19 3d2u s SER 160 Cb -0.03 -1.64 -0.02 0.00 0.10 0.00 0.00 66.02 64.43 3d2u s SER 160 CO -0.00 0.18 -0.17 -0.69 0.98 0.00 0.00 173.24 173.54 3d2u s VAL 161 N 0.29 2.81 0.00 5.02 1.01 0.30 -4.92 120.40 124.91 3d2u s VAL 161 Ca -0.08 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.11 3d2u s VAL 161 Cb -0.15 -2.10 0.00 0.00 0.00 0.00 0.00 36.38 34.13 3d2u s VAL 161 CO 0.05 0.57 0.00 0.61 0.00 0.00 0.00 175.10 176.33 3d2u n GLY 162 N 2.73 2.93 3.77 4.51 0.00 -1.26 0.25 105.19 118.12 3d2u n GLY 162 Ca -0.17 -1.73 -0.37 0.00 0.00 0.00 0.00 46.02 43.74 3d2u n GLY 162 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3d2u s PRO 163 N -1.89 4.14 0.33 1.61 0.04 -1.26 -4.98 135.00 132.98 3d2u s PRO 163 Ca 0.00 1.67 -0.00 0.00 0.04 0.00 0.00 61.00 62.71 3d2u s PRO 163 Cb 0.00 -2.64 -0.04 0.00 0.04 0.00 0.00 34.50 31.87 3d2u s PRO 163 CO 0.00 -0.20 0.53 0.08 0.04 0.00 0.00 177.00 177.45 3d2u s VAL 164 N -1.52 5.11 -0.00 -0.36 1.01 -0.71 -4.84 120.40 119.09 3d2u s VAL 164 Ca 0.57 -0.42 -0.28 0.00 0.00 0.00 0.00 61.98 61.85 3d2u s VAL 164 Cb -0.26 -3.84 0.08 0.00 0.00 0.00 0.00 36.38 32.36 3d2u s VAL 164 CO 0.33 -0.51 0.72 -0.94 0.00 0.00 0.00 175.10 174.71 3d2u s SER 165 N -3.89 -0.57 0.66 3.32 1.04 -1.26 -0.19 113.70 112.81 3d2u s SER 165 Ca 0.40 0.40 -0.14 0.00 0.48 0.00 0.00 55.95 57.10 3d2u s SER 165 Cb -0.10 0.51 -0.00 0.00 0.10 0.00 0.00 66.02 66.53 3d2u s SER 165 CO 0.35 -0.68 1.08 -2.84 0.98 0.00 0.00 173.24 172.13 3d2u s PRO 166 N -2.09 2.90 0.00 4.02 0.02 -1.26 -3.28 135.00 135.31 3d2u s PRO 166 Ca -0.05 1.22 0.00 0.00 0.02 0.00 0.00 61.00 62.19 3d2u s PRO 166 Cb -0.00 -1.97 0.00 0.00 0.02 0.00 0.00 34.50 32.54 3d2u s PRO 166 CO 0.01 -1.15 0.00 0.45 -0.33 0.00 0.00 177.00 175.98 3d2u n SER 167 N -2.59 0.00 -4.55 2.53 2.88 -1.26 -4.97 113.62 105.66 3d2u n SER 167 Ca 0.09 0.00 -0.37 0.00 -1.33 0.00 0.00 58.87 57.26 3d2u n SER 167 Cb 0.53 -0.26 -0.11 0.00 -0.75 0.00 0.00 64.21 63.61 3d2u n SER 167 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 3d2u s ARG 168 N -0.02 3.87 0.32 -1.46 3.00 -1.20 -5.06 118.95 118.40 3d2u s ARG 168 Ca 0.00 -0.37 -0.29 0.00 0.00 0.00 0.00 55.73 55.07 3d2u s ARG 168 Cb 0.00 -3.49 -0.10 0.00 0.00 0.00 0.00 34.95 31.36 3d2u s ARG 168 CO 0.00 -0.11 1.30 1.03 0.00 0.00 0.00 175.30 177.52 3d2u s ARG 169 N 1.49 4.37 -0.57 3.54 0.52 -1.26 -4.82 118.95 122.22 3d2u s ARG 169 Ca 0.06 2.19 0.05 0.00 -0.52 0.00 0.00 55.73 57.52 3d2u s ARG 169 Cb -0.15 -3.08 0.19 0.00 0.52 0.00 0.00 34.95 32.43 3d2u s ARG 169 CO 0.07 -0.18 0.48 0.91 0.02 0.00 0.00 175.30 176.60 3d2u n TRP 170 N 0.97 1.54 -4.31 -0.53 7.02 -1.26 -5.03 117.44 115.84 3d2u n TRP 170 Ca 0.01 -3.88 -0.34 0.00 -1.02 0.00 0.00 57.50 52.27 3d2u n TRP 170 Cb 0.42 -0.29 -0.11 0.00 -2.42 0.00 0.00 31.31 28.90 3d2u n TRP 170 CO 0.00 0.00 0.00 -1.58 -2.02 0.00 0.00 177.69 174.09 3d2u s TRP 171 N -1.08 3.09 0.06 -5.99 0.52 -1.26 -2.05 118.94 112.22 3d2u s TRP 171 Ca 0.31 -0.17 -0.00 0.00 0.02 0.00 0.00 56.10 56.26 3d2u s TRP 171 Cb 0.04 -1.97 -0.04 0.00 -1.15 0.00 0.00 33.47 30.35 3d2u s TRP 171 CO -0.15 0.05 -0.04 0.71 0.02 0.00 0.00 176.95 177.54 3d2u s TYR 172 N 0.26 0.59 0.04 -1.98 1.51 0.44 -0.33 117.35 117.88 3d2u s TYR 172 Ca -0.01 -0.96 -0.03 0.00 -1.01 0.00 0.00 57.07 55.06 3d2u s TYR 172 Cb -0.13 -0.40 -0.02 0.00 -0.11 0.00 0.00 41.96 41.29 3d2u s TYR 172 CO 0.02 -0.29 0.04 1.03 -1.11 0.00 0.00 175.55 175.24 3d2u s ARG 173 N -3.58 0.54 0.11 -0.62 0.52 0.41 0.33 118.95 116.66 3d2u s ARG 173 Ca 0.05 -0.83 0.03 0.00 -0.52 0.00 0.00 55.73 54.47 3d2u s ARG 173 Cb 0.05 0.20 -0.04 0.00 0.52 0.00 0.00 34.95 35.68 3d2u s ARG 173 CO -0.07 -0.12 -0.08 0.00 0.02 0.00 0.00 175.30 175.04 3d2u s TYR 175 N -3.27 1.17 0.08 0.00 1.51 -0.11 -0.38 117.35 116.35 3d2u s TYR 175 Ca 0.12 -0.66 0.10 0.00 -1.01 0.00 0.00 57.07 55.62 3d2u s TYR 175 Cb 0.03 -0.62 -0.03 0.00 -0.11 0.00 0.00 41.96 41.22 3d2u s TYR 175 CO -0.02 0.04 -0.25 0.00 -1.11 0.00 0.00 175.55 174.21 3d2u s ALA 176 N -2.58 2.37 0.30 3.71 0.00 -1.26 -0.34 121.76 123.97 3d2u s ALA 176 Ca 0.08 -1.34 -0.12 0.00 0.00 0.00 0.00 51.96 50.58 3d2u s ALA 176 Cb -0.02 -0.48 0.01 0.00 0.00 0.00 0.00 23.12 22.63 3d2u s ALA 176 CO 0.01 0.55 0.57 1.52 0.00 0.00 0.00 175.76 178.40 3d2u s TYR 177 N -0.94 0.42 -0.21 0.00 -0.85 -0.16 -1.79 117.35 113.83 3d2u s TYR 177 Ca 0.13 -0.82 -0.07 0.00 -0.52 0.00 0.00 57.07 55.79 3d2u s TYR 177 Cb -0.10 0.31 -0.03 0.00 0.38 0.00 0.00 41.96 42.51 3d2u s TYR 177 CO 0.04 -1.17 0.05 0.34 -1.52 0.00 0.00 175.55 173.30 3d2u s ASP 178 N -3.07 5.30 0.22 -0.18 -1.08 -1.26 -1.79 116.67 114.81 3d2u s ASP 178 Ca 0.22 -0.07 0.15 0.00 -0.52 0.00 0.00 52.55 52.33 3d2u s ASP 178 Cb -0.02 -1.92 0.81 0.00 -1.46 0.00 0.00 42.92 40.33 3d2u s ASP 178 CO 0.12 0.09 1.46 -1.54 0.52 0.00 0.00 175.17 175.82 3d2u n SER 179 N 4.12 0.39 0.15 -0.34 3.41 -1.26 -1.09 113.62 119.00 3d2u n SER 179 Ca -0.16 0.68 0.12 0.00 -0.26 0.00 0.00 58.87 59.24 3d2u n SER 179 Cb 0.52 -0.73 0.13 0.00 -0.26 0.00 0.00 64.21 63.87 3d2u n SER 179 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 3d2u h ASN 180 N 0.00 0.00 -2.01 4.04 -0.26 -2.02 -3.35 115.58 111.99 3d2u h ASN 180 Ca 0.00 -0.03 -0.53 0.00 -0.56 0.00 0.00 56.30 55.18 3d2u h ASN 180 Cb 0.01 0.00 -0.40 0.00 -1.06 0.00 0.00 38.32 36.88 3d2u h ASN 180 CO 0.00 0.01 -1.12 -1.54 -1.06 0.00 0.00 177.43 173.72 3d2u n SER 181 N -2.74 0.61 0.05 5.81 3.41 -0.25 -5.01 113.62 115.51 3d2u n SER 181 Ca 0.03 -2.86 0.05 0.00 -0.26 0.00 0.00 58.87 55.83 3d2u n SER 181 Cb 0.52 -0.63 0.23 0.00 -0.26 0.00 0.00 64.21 64.07 3d2u n SER 181 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 3d2u n PRO 182 N 0.91 0.05 -0.51 4.33 -0.04 -0.96 -2.38 135.00 136.40 3d2u n PRO 182 Ca 0.23 0.50 0.08 0.00 -0.04 0.00 0.00 63.50 64.27 3d2u n PRO 182 Cb 0.58 -1.65 0.30 0.00 -0.04 0.00 0.00 33.50 32.69 3d2u n PRO 182 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3d2u n TYR 183 N -1.76 1.20 -3.98 0.54 4.01 -1.26 -4.78 117.16 111.14 3d2u n TYR 183 Ca 0.00 -0.66 -0.31 0.00 -0.16 0.00 0.00 57.90 56.78 3d2u n TYR 183 Cb 0.05 -0.23 -0.15 0.00 -0.31 0.00 0.00 39.34 38.69 3d2u n TYR 183 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 3d2u s GLU 184 N -1.96 1.56 0.23 -0.72 2.12 -1.00 -1.31 118.70 117.61 3d2u s GLU 184 Ca 0.44 -2.03 0.05 0.00 0.36 0.00 0.00 54.97 53.79 3d2u s GLU 184 Cb 0.30 -3.14 -0.03 0.00 0.26 0.00 0.00 34.13 31.52 3d2u s GLU 184 CO 0.19 -0.99 0.33 -1.58 -0.54 0.00 0.00 175.26 172.66 3d2u s TRP 185 N 0.61 3.42 0.63 5.30 0.51 -0.37 -4.45 118.94 124.59 3d2u s TRP 185 Ca 0.13 -0.01 -0.11 0.00 -2.12 0.00 0.00 56.10 53.99 3d2u s TRP 185 Cb -0.21 -1.57 0.15 0.00 -0.81 0.00 0.00 33.47 31.04 3d2u s TRP 185 CO -0.07 0.46 0.64 -1.13 -0.51 0.00 0.00 176.95 176.35 3d2u n SER 186 N -1.23 -1.09 -4.77 2.95 3.41 -0.74 -1.50 113.62 110.65 3d2u n SER 186 Ca -0.09 -0.99 -0.33 0.00 -0.26 0.00 0.00 58.87 57.20 3d2u n SER 186 Cb 0.57 -0.56 0.04 0.00 -0.26 0.00 0.00 64.21 64.00 3d2u n SER 186 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3d2u s LEU 187 N 0.00 3.44 0.51 1.04 1.43 0.19 -1.99 118.68 123.30 3d2u s LEU 187 Ca 0.40 2.02 -0.20 0.00 -1.03 0.00 0.00 54.13 55.31 3d2u s LEU 187 Cb -0.03 -4.55 -0.07 0.00 0.03 0.00 0.00 46.19 41.56 3d2u s LEU 187 CO 0.30 -1.55 1.08 -2.16 0.23 0.00 0.00 176.35 174.24 3d2u s PRO 188 N -3.98 3.62 1.02 1.29 0.04 -1.26 -4.22 135.00 131.51 3d2u s PRO 188 Ca 0.68 1.48 -0.12 0.00 0.04 0.00 0.00 61.00 63.07 3d2u s PRO 188 Cb -0.21 -2.07 0.20 0.00 0.04 0.00 0.00 34.50 32.46 3d2u s PRO 188 CO 0.39 -0.60 1.08 -1.54 0.04 0.00 0.00 177.00 176.37 3d2u s SER 189 N -1.87 2.31 0.54 6.66 1.04 0.49 -4.67 113.70 118.20 3d2u s SER 189 Ca 0.69 1.43 -0.20 0.00 0.48 0.00 0.00 55.95 58.36 3d2u s SER 189 Cb -0.20 -2.12 -0.06 0.00 0.10 0.00 0.00 66.02 63.75 3d2u s SER 189 CO 0.23 -3.36 1.15 -1.81 0.98 0.00 0.00 173.24 170.43 3d2u s ASP 190 N -3.10 5.67 0.21 7.02 1.01 -1.26 -4.53 116.67 121.69 3d2u s ASP 190 Ca 0.66 2.22 -0.31 0.00 0.71 0.00 0.00 52.55 55.83 3d2u s ASP 190 Cb -0.21 -2.59 -0.11 0.00 1.01 0.00 0.00 42.92 41.03 3d2u s ASP 190 CO 0.60 -1.25 1.63 -0.22 0.21 0.00 0.00 175.17 176.14 3d2u s LEU 191 N -3.78 4.37 -0.16 1.23 2.96 -1.26 -4.67 118.68 117.37 3d2u s LEU 191 Ca 0.73 2.78 -0.03 0.00 -0.22 0.00 0.00 54.13 57.40 3d2u s LEU 191 Cb -0.25 -3.60 -0.02 0.00 0.50 0.00 0.00 46.19 42.81 3d2u s LEU 191 CO 0.28 -0.90 -0.07 -0.22 -1.32 0.00 0.00 176.35 174.13 3d2u s LEU 192 N 0.81 2.99 -0.12 -0.68 2.96 0.15 -4.95 118.68 119.84 3d2u s LEU 192 Ca 0.70 -0.25 0.02 0.00 -0.22 0.00 0.00 54.13 54.38 3d2u s LEU 192 Cb -0.47 -1.71 -0.01 0.00 0.50 0.00 0.00 46.19 44.50 3d2u s LEU 192 CO 0.35 0.13 -0.18 -1.61 -1.32 0.00 0.00 176.35 173.71 3d2u s GLU 193 N 0.60 3.22 0.36 1.98 2.02 -1.26 -0.42 118.70 125.19 3d2u s GLU 193 Ca -0.04 -0.78 -0.09 0.00 0.02 0.00 0.00 54.97 54.07 3d2u s GLU 193 Cb -0.15 -2.49 -0.06 0.00 0.10 0.00 0.00 34.13 31.53 3d2u s GLU 193 CO 0.03 0.17 0.70 -0.51 0.02 0.00 0.00 175.26 175.66 3d2u s LEU 194 N 0.42 3.93 -0.19 1.80 1.43 -0.87 -4.97 118.68 120.23 3d2u s LEU 194 Ca -0.13 1.03 -0.01 0.00 -1.03 0.00 0.00 54.13 53.99 3d2u s LEU 194 Cb -0.17 -3.88 0.01 0.00 0.03 0.00 0.00 46.19 42.18 3d2u s LEU 194 CO 0.06 -0.31 -0.14 -0.22 0.23 0.00 0.00 176.35 175.97 3d2u s LEU 195 N -3.62 2.42 -0.16 1.79 2.96 -0.08 -4.76 118.68 117.22 3d2u s LEU 195 Ca 0.49 -0.55 -0.20 0.00 -0.22 0.00 0.00 54.13 53.66 3d2u s LEU 195 Cb -0.10 -1.58 -0.03 0.00 0.50 0.00 0.00 46.19 44.97 3d2u s LEU 195 CO 0.29 -0.00 0.56 -0.69 -1.32 0.00 0.00 176.35 175.19 3d2u s VAL 196 N 1.34 5.10 0.02 1.68 1.01 -1.26 -0.10 120.40 128.18 3d2u s VAL 196 Ca 0.05 1.08 -0.30 0.00 0.00 0.00 0.00 61.98 62.80 3d2u s VAL 196 Cb -0.14 -3.89 -0.08 0.00 0.00 0.00 0.00 36.38 32.28 3d2u s VAL 196 CO -0.09 0.20 1.75 -0.76 0.00 0.00 0.00 175.10 176.21 3d2u s LEU 197 N 1.36 4.37 0.00 3.92 1.43 0.53 -4.90 118.68 125.39 3d2u s LEU 197 Ca 0.27 2.46 0.00 0.00 -1.03 0.00 0.00 54.13 55.83 3d2u s LEU 197 Cb -0.16 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.52 3d2u s LEU 197 CO 0.11 -0.95 0.00 0.61 0.23 0.00 0.00 176.35 176.34