#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i3u h ASP 3 N 0.00 0.73 -0.55 6.41 3.45 -2.05 -2.20 116.42 122.20 3i3u h ASP 3 Ca 0.00 -0.02 0.03 0.00 0.43 0.00 0.00 57.03 57.47 3i3u h ASP 3 Cb 0.00 -0.18 -0.04 0.00 -0.56 0.00 0.00 39.33 38.55 3i3u h ASP 3 CO 0.00 0.53 0.32 0.11 -1.57 0.00 0.00 179.24 178.63 3i3u h LYS 4 N 0.85 0.61 0.34 3.56 1.57 -2.05 0.51 116.57 121.96 3i3u h LYS 4 Ca 0.23 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.96 3i3u h LYS 4 Cb -0.09 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.09 3i3u h LYS 4 CO -0.05 0.41 -0.16 0.87 -0.57 0.00 0.00 179.45 179.95 3i3u h LYS 5 N 0.63 -0.44 -0.82 3.15 1.57 -1.93 0.79 116.57 119.53 3i3u h LYS 5 Ca 0.23 0.03 0.01 0.00 -1.87 0.00 0.00 60.65 59.04 3i3u h LYS 5 Cb 0.05 0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.42 3i3u h LYS 5 CO -0.11 -0.29 0.54 0.82 -0.57 0.00 0.00 179.45 179.83 3i3u h ILE 6 N -0.45 1.21 -0.54 1.86 2.04 -1.26 0.44 117.51 120.82 3i3u h ILE 6 Ca -0.05 -0.39 -0.04 0.00 1.00 0.00 0.00 64.86 65.39 3i3u h ILE 6 Cb 0.35 0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 36.41 3i3u h ILE 6 CO 0.08 0.20 0.19 -0.08 0.00 0.00 0.00 178.15 178.54 3i3u h GLU 7 N 1.11 0.82 -0.17 2.37 4.57 -0.58 0.27 114.58 122.97 3i3u h GLU 7 Ca 0.30 -0.16 -0.09 0.00 -1.18 0.00 0.00 59.36 58.22 3i3u h GLU 7 Cb -0.12 -0.12 -0.00 0.00 -0.16 0.00 0.00 28.75 28.34 3i3u h GLU 7 CO -0.06 0.74 -0.25 1.25 -1.18 0.00 0.00 179.01 179.50 3i3u h LEU 8 N 0.73 0.51 -0.55 1.64 5.85 0.10 -2.78 115.31 120.81 3i3u h LEU 8 Ca 0.18 -0.52 -0.11 0.00 0.84 0.00 0.00 57.88 58.26 3i3u h LEU 8 Cb 0.24 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 3i3u h LEU 8 CO -0.01 0.94 -0.09 -0.07 -0.34 0.00 0.00 178.44 178.87 3i3u h LEU 9 N 0.10 1.03 -0.30 2.25 3.38 -0.91 0.80 115.31 121.65 3i3u h LEU 9 Ca 0.02 -0.34 0.03 0.00 0.09 0.00 0.00 57.88 57.67 3i3u h LEU 9 Cb 0.83 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 3i3u h LEU 9 CO 0.06 1.13 0.12 0.74 0.09 0.00 0.00 178.44 180.58 3i3u h THR 10 N 0.91 0.94 -0.08 0.22 2.02 -0.98 0.23 112.91 116.17 3i3u h THR 10 Ca 0.15 -0.09 -0.18 0.00 0.77 0.00 0.00 66.41 67.05 3i3u h THR 10 Cb 0.65 0.65 -0.00 0.00 -1.74 0.00 0.00 68.15 67.71 3i3u h THR 10 CO 0.05 0.05 -0.73 0.74 0.37 0.00 0.00 175.52 175.99 3i3u h THR 11 N 0.26 1.38 0.07 3.16 2.02 -1.36 -1.94 112.91 116.49 3i3u h THR 11 Ca 0.13 -2.14 -0.00 0.00 0.77 0.00 0.00 66.41 65.17 3i3u h THR 11 Cb 0.09 2.11 0.00 0.00 -1.74 0.00 0.00 68.15 68.61 3i3u h THR 11 CO -0.12 0.64 -0.03 0.22 0.37 0.00 0.00 175.52 176.60 3i3u h TYR 12 N 0.28 -0.08 -0.12 3.16 3.20 -0.55 -2.94 116.97 119.91 3i3u h TYR 12 Ca -0.03 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.82 3i3u h TYR 12 Cb 1.31 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 39.59 3i3u h TYR 12 CO 0.04 0.18 -0.02 -0.07 -1.64 0.00 0.00 178.16 176.66 3i3u h LEU 13 N -0.34 0.16 0.00 2.82 3.38 -0.57 -1.94 115.31 118.81 3i3u h LEU 13 Ca -0.01 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3i3u h LEU 13 Cb 0.30 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3i3u h LEU 13 CO 0.01 0.21 0.00 -1.54 0.09 0.00 0.00 178.44 177.22 3i3u n SER 14 N -4.41 0.00 0.06 -0.43 3.41 -0.73 -1.81 113.62 109.71 3i3u n SER 14 Ca -0.01 -0.15 0.12 0.00 -0.26 0.00 0.00 58.87 58.57 3i3u n SER 14 Cb 0.17 -0.16 0.15 0.00 -0.26 0.00 0.00 64.21 64.11 3i3u n SER 14 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3i3u h LEU 15 N 0.00 0.00 -9.81 1.04 3.38 -1.36 -3.47 115.31 105.08 3i3u h LEU 15 Ca 0.00 -0.22 -0.54 0.00 0.09 0.00 0.00 57.88 57.22 3i3u h LEU 15 Cb 0.08 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.77 3i3u h LEU 15 CO 0.00 0.11 -0.55 -0.31 0.09 0.00 0.00 178.44 177.77 3i3u s TYR 16 N -3.18 3.09 0.03 1.13 1.51 -0.75 -0.20 117.35 118.98 3i3u s TYR 16 Ca 0.06 -0.08 0.08 0.00 -1.01 0.00 0.00 57.07 56.11 3i3u s TYR 16 Cb 0.13 -1.43 -0.03 0.00 -0.11 0.00 0.00 41.96 40.53 3i3u s TYR 16 CO 0.73 0.53 -0.23 -1.50 -1.11 0.00 0.00 175.55 173.96 3i3u s ILE 17 N -1.98 1.88 0.23 2.71 2.07 -0.38 -4.79 121.20 120.94 3i3u s ILE 17 Ca 0.32 -1.23 -0.30 0.00 -1.41 0.00 0.00 60.65 58.02 3i3u s ILE 17 Cb -0.09 -1.61 -0.15 0.00 0.13 0.00 0.00 42.46 40.75 3i3u s ILE 17 CO 0.24 0.33 1.10 -0.67 -1.91 0.00 0.00 174.94 174.02 3i3u n ASP 18 N 1.94 1.38 0.20 4.50 4.64 -1.26 -2.43 116.55 125.52 3i3u n ASP 18 Ca -0.17 1.16 0.09 0.00 -1.38 0.00 0.00 54.79 54.50 3i3u n ASP 18 Cb 0.53 -1.26 0.18 0.00 -1.04 0.00 0.00 41.12 39.52 3i3u n ASP 18 CO 0.00 0.00 0.00 1.12 -0.82 0.00 0.00 177.20 177.50 3i3u h HIS 19 N 2.77 0.00 0.24 -0.67 2.07 -1.98 -3.09 115.15 114.49 3i3u h HIS 19 Ca -0.41 0.00 -0.34 0.00 -2.85 0.00 0.00 60.37 56.77 3i3u h HIS 19 Cb 1.34 0.00 0.03 0.00 2.57 0.00 0.00 27.41 31.35 3i3u h HIS 19 CO 0.51 0.16 -1.51 1.25 -3.07 0.00 0.00 177.93 175.27 3i3u h HIS 20 N 0.00 0.94 -0.69 6.12 -0.00 -1.92 -3.29 115.15 116.30 3i3u h HIS 20 Ca -0.00 -0.68 -0.04 0.00 -0.00 0.00 0.00 60.37 59.64 3i3u h HIS 20 Cb 1.07 -0.04 -0.03 0.00 -0.00 0.00 0.00 27.41 28.41 3i3u h HIS 20 CO 0.00 1.58 0.27 1.15 -0.00 0.00 0.00 177.93 180.93 3i3u h THR 21 N 0.12 1.25 0.51 6.26 2.02 -1.94 0.30 112.91 121.43 3i3u h THR 21 Ca -0.27 -0.78 -0.02 0.00 0.77 0.00 0.00 66.41 66.11 3i3u h THR 21 Cb 2.15 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 69.01 3i3u h THR 21 CO 0.26 0.31 -0.34 0.58 0.37 0.00 0.00 175.52 176.70 3i3u h VAL 22 N 0.99 0.31 0.00 3.16 2.07 -1.67 0.29 116.25 121.39 3i3u h VAL 22 Ca 0.23 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.70 3i3u h VAL 22 Cb 0.22 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 3i3u h VAL 22 CO -0.02 0.00 -0.26 -0.07 0.02 0.00 0.00 177.57 177.25 3i3u h LEU 23 N -0.82 0.00 -0.21 2.57 -0.00 -1.62 -2.79 115.31 112.45 3i3u h LEU 23 Ca -0.06 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.81 3i3u h LEU 23 Cb 0.67 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.32 3i3u h LEU 23 CO 0.04 0.26 0.10 0.00 -0.00 0.00 0.00 178.44 178.84 3i3u h ALA 24 N 1.74 0.27 -3.00 1.53 0.00 0.49 -3.51 119.26 116.78 3i3u h ALA 24 Ca -0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3i3u h ALA 24 Cb 0.53 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3i3u h ALA 24 CO 0.03 -0.16 0.00 -3.47 0.00 0.00 0.00 179.25 175.65 3i3u n ASP 25 N -4.84 0.00 -0.09 0.00 2.03 0.92 -5.06 116.55 109.51 3i3u n ASP 25 Ca -0.04 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.27 3i3u n ASP 25 Cb 0.11 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.51 3i3u n ASP 25 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 3i3u n LYS 32 N 0.00 -0.18 -4.21 -0.67 2.85 -1.26 -5.12 118.16 109.57 3i3u n LYS 32 Ca 0.00 0.00 -0.28 0.00 -1.05 0.00 0.00 58.31 56.98 3i3u n LYS 32 Cb 0.00 0.00 -0.17 0.00 -0.65 0.00 0.00 35.03 34.21 3i3u n LYS 32 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 3i3u s TYR 33 N 0.00 1.84 -0.55 5.58 2.02 -1.26 -1.91 117.35 123.06 3i3u s TYR 33 Ca 0.00 -0.91 -0.04 0.00 -0.37 0.00 0.00 57.07 55.75 3i3u s TYR 33 Cb 0.00 -1.38 0.14 0.00 -0.40 0.00 0.00 41.96 40.33 3i3u s TYR 33 CO 0.00 -0.52 0.37 0.08 -1.57 0.00 0.00 175.55 173.91 3i3u s VAL 34 N 1.27 3.66 0.59 0.71 1.01 0.31 -4.98 120.40 122.97 3i3u s VAL 34 Ca -0.01 -2.57 -0.20 0.00 0.00 0.00 0.00 61.98 59.20 3i3u s VAL 34 Cb -0.14 -3.42 -0.03 0.00 0.00 0.00 0.00 36.38 32.79 3i3u s VAL 34 CO -0.05 -0.81 1.29 -0.69 0.00 0.00 0.00 175.10 174.83 3i3u s VAL 35 N 0.43 2.23 -0.14 2.92 1.01 -1.26 -2.95 120.40 122.64 3i3u s VAL 35 Ca 0.13 0.16 -0.02 0.00 0.00 0.00 0.00 61.98 62.25 3i3u s VAL 35 Cb -0.21 -3.07 0.05 0.00 0.00 0.00 0.00 36.38 33.14 3i3u s VAL 35 CO -0.04 -0.02 0.03 -0.76 0.00 0.00 0.00 175.10 174.31 3i3u s LEU 36 N -3.94 0.83 -0.62 3.92 1.43 0.13 -2.85 118.68 117.58 3i3u s LEU 36 Ca 0.77 -0.48 -0.28 0.00 -1.03 0.00 0.00 54.13 53.10 3i3u s LEU 36 Cb -0.37 -0.49 0.03 0.00 0.03 0.00 0.00 46.19 45.39 3i3u s LEU 36 CO 0.41 -0.26 1.26 -0.62 0.23 0.00 0.00 176.35 177.36 3i3u s ASP 37 N 1.94 6.31 0.23 2.29 -1.08 -1.13 -1.17 116.67 124.06 3i3u s ASP 37 Ca 0.02 -0.00 0.22 0.00 -0.52 0.00 0.00 52.55 52.27 3i3u s ASP 37 Cb -0.15 -2.55 0.03 0.00 -1.46 0.00 0.00 42.92 38.79 3i3u s ASP 37 CO -0.07 -1.62 1.10 -0.37 0.52 0.00 0.00 175.17 174.73 3i3u h VAL 38 N 6.17 0.02 -3.95 1.11 -1.51 -1.88 -3.37 116.25 112.84 3i3u h VAL 38 Ca -0.26 -1.03 -0.56 0.00 -1.23 0.00 0.00 66.70 63.62 3i3u h VAL 38 Cb 1.06 1.57 0.17 0.00 -2.13 0.00 0.00 31.29 31.96 3i3u h VAL 38 CO 1.21 0.01 0.35 -2.11 -1.23 0.00 0.00 177.57 175.80 3i3u n ARG 39 N -2.73 0.90 -0.45 5.19 1.85 -1.26 -1.00 116.66 119.16 3i3u n ARG 39 Ca 0.00 0.36 -0.05 0.00 -1.00 0.00 0.00 57.85 57.16 3i3u n ARG 39 Cb 0.56 -2.40 0.02 0.00 -1.05 0.00 0.00 32.46 29.59 3i3u n ARG 39 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 3i3u n ASN 40 N -1.73 4.54 -1.41 2.89 3.02 -1.26 -4.47 115.26 116.85 3i3u n ASN 40 Ca 0.15 -2.48 -0.01 0.00 -0.03 0.00 0.00 54.58 52.20 3i3u n ASN 40 Cb 0.48 -0.85 0.00 0.00 -0.61 0.00 0.00 39.78 38.81 3i3u n ASN 40 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3i3u n GLN 49 N 0.67 0.17 -3.65 3.52 6.02 -1.26 -5.10 117.38 117.75 3i3u n GLN 49 Ca 0.11 -0.36 -0.22 0.00 -0.01 0.00 0.00 57.00 56.53 3i3u n GLN 49 Cb 0.61 0.47 -0.17 0.00 1.02 0.00 0.00 30.24 32.16 3i3u n GLN 49 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3i3u s ILE 50 N -2.63 -0.12 0.27 5.09 1.01 -1.26 -5.13 121.20 118.44 3i3u s ILE 50 Ca 0.04 0.23 -0.30 0.00 0.00 0.00 0.00 60.65 60.62 3i3u s ILE 50 Cb -0.01 -0.30 -0.13 0.00 0.01 0.00 0.00 42.46 42.03 3i3u s ILE 50 CO 0.02 0.03 1.37 0.29 0.00 0.00 0.00 174.94 176.64 3i3u n LYS 51 N 5.30 2.07 0.00 2.79 5.02 -1.26 -1.67 118.16 130.41 3i3u n LYS 51 Ca -0.04 0.73 0.00 0.00 -2.02 0.00 0.00 58.31 56.98 3i3u n LYS 51 Cb 0.50 -2.36 0.00 0.00 -0.02 0.00 0.00 35.03 33.14 3i3u n LYS 51 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i3u n GLY 52 N 1.72 1.57 3.69 0.72 0.00 -1.26 -5.04 105.19 106.60 3i3u n GLY 52 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 3i3u n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i3u s ALA 53 N -2.34 3.46 -0.47 4.61 0.00 -0.67 -4.70 121.76 121.65 3i3u s ALA 53 Ca 0.00 0.58 -0.25 0.00 0.00 0.00 0.00 51.96 52.28 3i3u s ALA 53 Cb 0.00 -3.49 0.03 0.00 0.00 0.00 0.00 23.12 19.66 3i3u s ALA 53 CO 0.00 -0.70 0.92 0.42 0.00 0.00 0.00 175.76 176.41 3i3u s ILE 54 N 2.08 4.47 0.89 0.00 1.01 -1.13 -4.77 121.20 123.74 3i3u s ILE 54 Ca 0.54 0.69 -0.13 0.00 0.00 0.00 0.00 60.65 61.76 3i3u s ILE 54 Cb -0.23 -4.44 0.06 0.00 0.01 0.00 0.00 42.46 37.86 3i3u s ILE 54 CO 0.22 -0.86 0.74 0.00 0.00 0.00 0.00 174.94 175.04 3i3u n ALA 55 N 7.19 -1.56 -2.39 9.38 0.00 -1.26 -2.83 120.51 129.04 3i3u n ALA 55 Ca 0.06 -0.50 -0.31 0.00 0.00 0.00 0.00 53.44 52.69 3i3u n ALA 55 Cb 0.48 -1.98 -0.14 0.00 0.00 0.00 0.00 19.45 17.81 3i3u n ALA 55 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3i3u s PRO 57 N -3.84 2.00 0.42 0.00 0.02 -1.26 -4.91 135.00 127.43 3i3u s PRO 57 Ca 0.63 -1.01 0.10 0.00 0.02 0.00 0.00 61.00 60.74 3i3u s PRO 57 Cb -0.25 -2.09 0.93 0.00 0.02 0.00 0.00 34.50 33.11 3i3u s PRO 57 CO 0.61 0.54 2.04 0.00 -0.33 0.00 0.00 177.00 179.86 3i3u h ALA 58 N 4.85 1.82 0.00 -1.55 0.00 -1.36 0.65 119.26 123.67 3i3u h ALA 58 Ca -0.46 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3i3u h ALA 58 Cb 1.14 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.80 3i3u h ALA 58 CO 0.46 0.13 0.00 0.36 0.00 0.00 0.00 179.25 180.20 3i3u n LYS 59 N -4.48 0.29 0.00 0.00 2.85 -1.26 -2.72 118.16 112.84 3i3u n LYS 59 Ca 0.05 0.11 0.00 0.00 -1.05 0.00 0.00 58.31 57.41 3i3u n LYS 59 Cb 0.15 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.03 3i3u n LYS 59 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 3i3u n ASP 60 N -1.21 4.48 -0.25 -5.58 8.00 0.10 -4.73 116.55 117.36 3i3u n ASP 60 Ca 0.08 -0.04 0.05 0.00 0.71 0.00 0.00 54.79 55.60 3i3u n ASP 60 Cb 0.10 0.97 0.19 0.00 -0.02 0.00 0.00 41.12 42.36 3i3u n ASP 60 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3i3u h LEU 61 N 0.00 0.18 -1.21 0.64 5.85 -1.03 0.44 115.31 120.19 3i3u h LEU 61 Ca 0.00 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.84 3i3u h LEU 61 Cb 0.00 0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.16 3i3u h LEU 61 CO 0.00 0.05 0.00 0.00 -0.34 0.00 0.00 178.44 178.15 3i3u h ALA 62 N 1.57 1.00 0.00 1.25 0.00 -1.85 -1.99 119.26 119.24 3i3u h ALA 62 Ca 0.41 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 55.02 3i3u h ALA 62 Cb 0.66 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.40 3i3u h ALA 62 CO -0.44 0.00 -1.98 2.41 0.00 0.00 0.00 179.25 179.24 3i3u n THR 63 N -2.45 1.41 -1.52 0.00 -1.04 0.13 -4.28 114.28 106.54 3i3u n THR 63 Ca 0.00 -0.80 -0.22 0.00 -2.04 0.00 0.00 64.05 61.00 3i3u n THR 63 Cb 0.18 -0.72 0.12 0.00 -1.82 0.00 0.00 70.33 68.08 3i3u n THR 63 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3i3u n ARG 64 N -2.87 2.60 0.00 -2.82 1.74 0.00 -4.62 116.66 110.69 3i3u n ARG 64 Ca -0.22 -3.44 0.15 0.00 -0.77 0.00 0.00 57.85 53.57 3i3u n ARG 64 Cb 1.06 -2.13 0.86 0.00 -1.02 0.00 0.00 32.46 31.23 3i3u n ARG 64 CO 0.00 0.00 0.00 1.51 -1.52 0.00 0.00 177.63 177.62 3i3u n ILE 65 N -0.96 0.00 -0.00 0.55 0.13 -0.80 -3.20 119.36 115.07 3i3u n ILE 65 Ca 0.49 0.00 0.05 0.00 -1.10 0.00 0.00 62.75 62.19 3i3u n ILE 65 Cb 1.00 -0.50 -0.13 0.00 -0.84 0.00 0.00 39.64 39.17 3i3u n ILE 65 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 3i3u n GLY 66 N 0.89 -1.10 0.18 4.50 0.00 -1.26 -4.24 105.19 104.15 3i3u n GLY 66 Ca 0.22 -0.36 0.04 0.00 0.00 0.00 0.00 46.02 45.91 3i3u n GLY 66 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3i3u h GLU 67 N 0.00 0.00 -6.82 1.61 5.08 -1.92 -3.45 114.58 109.08 3i3u h GLU 67 Ca -0.15 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.69 3i3u h GLU 67 Cb 1.38 0.00 0.06 0.00 0.50 0.00 0.00 28.75 30.69 3i3u h GLU 67 CO 0.01 0.44 0.68 -0.51 -1.00 0.00 0.00 179.01 178.63 3i3u s LEU 68 N -7.36 4.41 -0.50 1.33 1.43 -1.26 -4.98 118.68 111.75 3i3u s LEU 68 Ca -0.01 2.66 -0.23 0.00 -1.03 0.00 0.00 54.13 55.52 3i3u s LEU 68 Cb 0.12 -3.64 0.04 0.00 0.03 0.00 0.00 46.19 42.74 3i3u s LEU 68 CO 0.71 -0.59 0.83 -0.62 0.23 0.00 0.00 176.35 176.91 3i3u s ASP 69 N -0.12 6.36 0.00 2.29 2.15 -1.26 -4.92 116.67 121.17 3i3u s ASP 69 Ca 0.53 -0.31 0.00 0.00 0.43 0.00 0.00 52.55 53.20 3i3u s ASP 69 Cb -0.40 -2.40 0.00 0.00 -0.30 0.00 0.00 42.92 39.82 3i3u s ASP 69 CO 0.49 -1.05 0.64 -2.65 -0.17 0.00 0.00 175.17 172.43 3i3u n PRO 70 N 6.97 0.00 -0.02 4.34 -0.02 -1.26 -0.24 135.00 144.78 3i3u n PRO 70 Ca 0.01 0.20 0.09 0.00 -2.02 0.00 0.00 63.50 61.77 3i3u n PRO 70 Cb 0.48 -1.69 -0.16 0.00 -0.02 0.00 0.00 33.50 32.10 3i3u n PRO 70 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i3u n ALA 71 N -1.14 2.66 -2.18 3.55 0.00 -1.26 -4.85 120.51 117.28 3i3u n ALA 71 Ca 0.00 -0.57 -0.33 0.00 0.00 0.00 0.00 53.44 52.53 3i3u n ALA 71 Cb 0.19 -0.67 -0.06 0.00 0.00 0.00 0.00 19.45 18.92 3i3u n ALA 71 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3i3u s LYS 72 N -3.36 4.02 -0.10 0.00 -0.14 0.67 -5.06 119.74 115.77 3i3u s LYS 72 Ca -0.08 0.65 -0.15 0.00 -1.36 0.00 0.00 55.97 55.03 3i3u s LYS 72 Cb 0.13 -2.57 -0.05 0.00 -1.68 0.00 0.00 37.83 33.66 3i3u s LYS 72 CO 0.87 0.24 0.37 0.99 -0.76 0.00 0.00 175.35 177.06 3i3u s THR 73 N -1.85 5.21 -0.09 2.17 2.01 -0.81 -4.71 115.64 117.58 3i3u s THR 73 Ca 0.50 0.73 -0.04 0.00 0.31 0.00 0.00 61.69 63.20 3i3u s THR 73 Cb -0.12 -3.70 -0.04 0.00 0.01 0.00 0.00 72.50 68.66 3i3u s THR 73 CO 0.19 0.43 0.06 -0.31 -0.69 0.00 0.00 174.62 174.30 3i3u s TYR 74 N 0.03 3.34 -0.20 4.92 2.02 -0.96 -0.53 117.35 125.96 3i3u s TYR 74 Ca 0.21 0.32 0.01 0.00 -0.37 0.00 0.00 57.07 57.24 3i3u s TYR 74 Cb -0.15 -1.84 0.03 0.00 -0.40 0.00 0.00 41.96 39.60 3i3u s TYR 74 CO 0.08 0.58 -0.17 0.08 -1.57 0.00 0.00 175.55 174.55 3i3u s VAL 75 N -0.97 2.16 -0.10 0.71 1.01 -1.15 -0.72 120.40 121.33 3i3u s VAL 75 Ca 0.15 -1.07 -0.20 0.00 0.00 0.00 0.00 61.98 60.86 3i3u s VAL 75 Cb -0.12 -1.99 -0.04 0.00 0.00 0.00 0.00 36.38 34.23 3i3u s VAL 75 CO 0.04 0.41 0.54 0.68 0.00 0.00 0.00 175.10 176.77 3i3u s VAL 76 N 1.26 5.14 -0.08 2.92 -7.23 0.04 0.18 120.40 122.63 3i3u s VAL 76 Ca 0.02 1.09 0.00 0.00 -1.81 0.00 0.00 61.98 61.29 3i3u s VAL 76 Cb -0.15 -3.88 0.07 0.00 0.56 0.00 0.00 36.38 32.98 3i3u s VAL 76 CO -0.11 0.31 1.08 0.00 -0.31 0.00 0.00 175.10 176.07 3i3u n TYR 77 N 3.64 0.31 0.00 2.82 -0.00 -0.31 -0.21 117.16 123.40 3i3u n TYR 77 Ca -0.06 -0.62 0.00 0.00 -0.00 0.00 0.00 57.90 57.23 3i3u n TYR 77 Cb 0.52 -0.31 0.00 0.00 -0.00 0.00 0.00 39.34 39.54 3i3u n TYR 77 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.86 177.11 3i3u n THR 84 N 0.32 0.00 0.07 2.97 -2.24 -1.26 -4.25 114.28 109.90 3i3u n THR 84 Ca 0.06 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.71 3i3u n THR 84 Cb 0.61 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.75 3i3u n THR 84 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3i3u h LEU 85 N 0.00 -0.16 -1.71 3.22 5.85 -2.00 0.24 115.31 120.75 3i3u h LEU 85 Ca 0.00 -0.27 0.07 0.00 0.84 0.00 0.00 57.88 58.53 3i3u h LEU 85 Cb 0.00 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 3i3u h LEU 85 CO 0.00 0.19 0.33 1.23 -0.34 0.00 0.00 178.44 179.86 3i3u h GLY 86 N -0.54 0.45 0.86 3.75 0.00 -1.95 -1.94 103.07 103.70 3i3u h GLY 86 Ca -0.02 -0.14 -0.18 0.00 0.00 0.00 0.00 47.33 46.99 3i3u h GLY 86 CO 0.03 0.10 -0.71 0.50 0.00 0.00 0.00 176.54 176.46 3i3u h LYS 87 N 0.35 0.45 -0.86 4.80 1.57 -1.93 -2.66 116.57 118.29 3i3u h LYS 87 Ca 0.22 -0.51 0.12 0.00 -1.87 0.00 0.00 60.65 58.61 3i3u h LYS 87 Cb 0.41 0.15 -0.08 0.00 0.08 0.00 0.00 32.23 32.79 3i3u h LYS 87 CO -0.05 1.16 0.48 1.15 -0.57 0.00 0.00 179.45 181.62 3i3u h THR 88 N -0.04 0.83 -0.18 -0.16 2.02 -0.39 0.54 112.91 115.54 3i3u h THR 88 Ca -0.09 -0.26 -0.00 0.00 0.77 0.00 0.00 66.41 66.83 3i3u h THR 88 Cb 1.43 0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.85 3i3u h THR 88 CO 0.14 0.14 0.11 0.00 0.37 0.00 0.00 175.52 176.27 3i3u h ALA 89 N 1.51 0.23 -0.29 6.16 0.00 -1.36 -1.08 119.26 124.43 3i3u h ALA 89 Ca 0.44 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.35 3i3u h ALA 89 Cb 0.50 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 3i3u h ALA 89 CO -0.30 -0.26 0.04 1.25 0.00 0.00 0.00 179.25 179.98 3i3u h LEU 90 N 0.21 -0.04 -1.00 0.00 5.85 -0.91 -1.43 115.31 118.00 3i3u h LEU 90 Ca 0.06 0.05 0.08 0.00 0.84 0.00 0.00 57.88 58.92 3i3u h LEU 90 Cb 0.03 0.08 -0.07 0.00 0.37 0.00 0.00 40.66 41.08 3i3u h LEU 90 CO -0.01 0.02 0.64 0.25 -0.34 0.00 0.00 178.44 178.99 3i3u h LEU 91 N 0.14 1.00 0.21 2.25 5.85 -0.51 0.58 115.31 124.82 3i3u h LEU 91 Ca 0.14 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 3i3u h LEU 91 Cb 0.16 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.00 3i3u h LEU 91 CO -0.20 0.62 -0.10 0.58 -0.34 0.00 0.00 178.44 179.00 3i3u h VAL 92 N 1.12 0.85 -0.07 1.05 2.07 -0.41 -1.17 116.25 119.68 3i3u h VAL 92 Ca 0.44 -0.26 0.04 0.00 0.82 0.00 0.00 66.70 67.74 3i3u h VAL 92 Cb 0.24 1.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.97 3i3u h VAL 92 CO -0.19 0.06 -0.19 -0.07 0.02 0.00 0.00 177.57 177.19 3i3u h LEU 93 N -0.41 -0.58 -0.74 2.57 3.38 -0.53 -1.80 115.31 117.20 3i3u h LEU 93 Ca -0.03 0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 3i3u h LEU 93 Cb 0.31 0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 3i3u h LEU 93 CO 0.05 -0.25 0.28 -0.07 0.09 0.00 0.00 178.44 178.54 3i3u h LEU 94 N -0.27 1.04 -1.12 1.67 3.38 -0.90 -0.58 115.31 118.53 3i3u h LEU 94 Ca 0.08 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 3i3u h LEU 94 Cb 0.38 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 3i3u h LEU 94 CO -0.23 0.94 0.18 0.28 0.09 0.00 0.00 178.44 179.71 3i3u h SER 95 N 1.08 0.74 0.47 -0.43 0.02 -0.98 -1.10 113.55 113.35 3i3u h SER 95 Ca 0.25 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 3i3u h SER 95 Cb 0.24 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.59 3i3u h SER 95 CO -0.02 0.69 0.00 0.00 -1.14 0.00 0.00 176.83 176.36 3i3u n ALA 96 N -2.46 2.22 0.00 3.77 0.00 -0.70 -4.86 120.51 118.48 3i3u n ALA 96 Ca 0.04 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.37 3i3u n ALA 96 Cb 0.19 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.25 3i3u n ALA 96 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i3u n GLY 97 N 0.77 2.37 3.74 0.00 0.00 -0.42 -5.07 105.19 106.57 3i3u n GLY 97 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 3i3u n GLY 97 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i3u s PHE 98 N -2.58 2.17 -0.32 1.61 0.08 -0.25 -4.94 117.98 113.75 3i3u s PHE 98 Ca 0.00 1.53 -0.16 0.00 0.12 0.00 0.00 56.93 58.43 3i3u s PHE 98 Cb 0.00 -3.55 -0.02 0.00 -0.57 0.00 0.00 43.02 38.88 3i3u s PHE 98 CO 0.00 -2.59 0.39 -2.00 -0.10 0.00 0.00 175.22 170.93 3i3u s GLU 99 N -3.55 3.69 0.17 0.44 2.12 -1.26 -3.88 118.70 116.43 3i3u s GLU 99 Ca 0.78 -0.25 0.02 0.00 0.36 0.00 0.00 54.97 55.89 3i3u s GLU 99 Cb -0.32 -3.77 -0.05 0.00 0.26 0.00 0.00 34.13 30.26 3i3u s GLU 99 CO 0.40 -0.48 -0.02 0.00 -0.54 0.00 0.00 175.26 174.61 3i3u s ALA 100 N 2.11 1.36 -0.02 6.30 0.00 -1.26 -2.27 121.76 127.98 3i3u s ALA 100 Ca 0.14 -1.57 -0.10 0.00 0.00 0.00 0.00 51.96 50.43 3i3u s ALA 100 Cb -0.16 0.44 0.01 0.00 0.00 0.00 0.00 23.12 23.41 3i3u s ALA 100 CO 0.12 -0.28 0.20 0.71 0.00 0.00 0.00 175.76 176.51 3i3u s TYR 101 N -3.59 -0.07 -0.08 0.00 2.02 0.10 -4.96 117.35 110.77 3i3u s TYR 101 Ca 0.22 0.10 -0.19 0.00 -0.37 0.00 0.00 57.07 56.84 3i3u s TYR 101 Cb 0.06 0.02 -0.04 0.00 -0.40 0.00 0.00 41.96 41.59 3i3u s TYR 101 CO 0.03 -0.29 0.51 -2.00 -1.57 0.00 0.00 175.55 172.23 3i3u s GLU 102 N -1.13 4.31 -0.18 -0.62 2.12 0.72 -0.78 118.70 123.13 3i3u s GLU 102 Ca -0.12 0.53 -0.29 0.00 0.36 0.00 0.00 54.97 55.45 3i3u s GLU 102 Cb -0.06 -3.40 -0.04 0.00 0.26 0.00 0.00 34.13 30.88 3i3u s GLU 102 CO 0.02 0.23 1.88 -1.17 -0.54 0.00 0.00 175.26 175.68 3i3u s LEU 103 N 0.35 3.83 0.00 2.70 2.96 0.70 -1.25 118.68 127.97 3i3u s LEU 103 Ca 0.27 1.87 0.28 0.00 -0.22 0.00 0.00 54.13 56.33 3i3u s LEU 103 Cb -0.16 -3.52 0.96 0.00 0.50 0.00 0.00 46.19 43.97 3i3u s LEU 103 CO 0.12 -1.46 1.70 0.00 -1.32 0.00 0.00 176.35 175.39