#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 0.70 -0.94 6.41 3.45 -2.05 -1.15 116.42 122.85 3i3u h ASP 3 Ca 0.00 0.02 0.01 0.00 0.43 0.00 0.00 57.03 57.49 3i3u h ASP 3 Cb 0.00 -0.12 -0.05 0.00 -0.56 0.00 0.00 39.33 38.60 3i3u h ASP 3 CO 0.00 0.45 0.61 0.11 -1.57 0.00 0.00 179.24 178.85 3i3u h LYS 4 N 0.83 1.24 0.28 3.56 1.57 -2.05 0.37 116.57 122.38 3i3u h LYS 4 Ca 0.33 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 59.01 3i3u h LYS 4 Cb 0.15 -0.28 0.00 0.00 0.08 0.00 0.00 32.23 32.19 3i3u h LYS 4 CO -0.17 0.83 -0.13 0.87 -0.57 0.00 0.00 179.45 180.28 3i3u h LYS 5 N 1.28 -0.36 -0.99 3.15 1.57 -1.84 -1.69 116.57 117.69 3i3u h LYS 5 Ca 0.34 0.02 0.19 0.00 -1.87 0.00 0.00 60.65 59.33 3i3u h LYS 5 Cb -0.13 0.08 -0.10 0.00 0.08 0.00 0.00 32.23 32.17 3i3u h LYS 5 CO -0.07 -0.02 0.61 0.82 -0.57 0.00 0.00 179.45 180.22 3i3u h ILE 6 N -0.81 0.72 -0.44 1.86 2.04 -1.16 0.26 117.51 119.98 3i3u h ILE 6 Ca -0.04 -0.25 -0.09 0.00 1.00 0.00 0.00 64.86 65.49 3i3u h ILE 6 Cb 0.51 -0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.52 3i3u h ILE 6 CO 0.06 0.13 -0.07 -0.08 0.00 0.00 0.00 178.15 178.20 3i3u h GLU 7 N 0.72 0.82 -0.30 2.37 4.57 -0.84 -0.17 114.58 121.75 3i3u h GLU 7 Ca 0.55 -0.30 -0.17 0.00 -1.18 0.00 0.00 59.36 58.26 3i3u h GLU 7 Cb 0.92 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 29.45 3i3u h GLU 7 CO -0.33 0.92 -0.49 1.25 -1.18 0.00 0.00 179.01 179.18 3i3u h LEU 8 N 0.66 0.92 -0.63 1.64 5.85 -0.13 -2.62 115.31 120.99 3i3u h LEU 8 Ca 0.12 -0.46 -0.13 0.00 0.84 0.00 0.00 57.88 58.25 3i3u h LEU 8 Cb 0.59 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 3i3u h LEU 8 CO 0.04 1.24 -0.31 -0.07 -0.34 0.00 0.00 178.44 179.00 3i3u h LEU 9 N 0.66 0.77 -0.06 2.25 3.38 -0.48 0.17 115.31 122.01 3i3u h LEU 9 Ca 0.03 -0.31 -0.00 0.00 0.09 0.00 0.00 57.88 57.68 3i3u h LEU 9 Cb 1.08 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.61 3i3u h LEU 9 CO 0.11 1.02 0.02 0.74 0.09 0.00 0.00 178.44 180.42 3i3u h THR 10 N 0.63 1.17 -0.29 0.22 2.02 -1.03 -0.52 112.91 115.11 3i3u h THR 10 Ca 0.07 -0.52 -0.09 0.00 0.77 0.00 0.00 66.41 66.64 3i3u h THR 10 Cb 0.83 1.42 -0.01 0.00 -1.74 0.00 0.00 68.15 68.65 3i3u h THR 10 CO 0.07 0.14 -0.16 0.74 0.37 0.00 0.00 175.52 176.69 3i3u h THR 11 N -0.11 1.30 -0.28 3.16 2.02 -1.40 -1.40 112.91 116.20 3i3u h THR 11 Ca 0.02 -1.27 0.03 0.00 0.77 0.00 0.00 66.41 65.96 3i3u h THR 11 Cb 0.22 1.49 -0.03 0.00 -1.74 0.00 0.00 68.15 68.09 3i3u h THR 11 CO -0.00 0.40 0.11 0.22 0.37 0.00 0.00 175.52 176.63 3i3u h TYR 12 N 0.38 0.21 0.00 3.16 3.20 -0.94 -1.54 116.97 121.44 3i3u h TYR 12 Ca 0.06 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.90 3i3u h TYR 12 Cb 0.69 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.90 3i3u h TYR 12 CO 0.06 0.10 -0.24 -0.07 -1.64 0.00 0.00 178.16 176.38 3i3u h LEU 13 N 0.25 0.00 0.00 2.82 3.38 -1.06 -2.66 115.31 118.05 3i3u h LEU 13 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3i3u h LEU 13 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3i3u h LEU 13 CO -0.11 0.24 0.00 -1.54 0.09 0.00 0.00 178.44 177.12 3i3u n SER 14 N -3.93 0.00 0.10 -0.43 3.41 -0.53 -1.73 113.62 110.51 3i3u n SER 14 Ca -0.02 0.25 0.05 0.00 -0.26 0.00 0.00 58.87 58.89 3i3u n SER 14 Cb 0.32 -0.37 0.00 0.00 -0.26 0.00 0.00 64.21 63.90 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 0.00-10.15 1.04 3.38 -1.41 -3.47 115.31 104.70 3i3u h LEU 15 Ca 0.00 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.47 3i3u h LEU 15 Cb 0.16 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3i3u h LEU 15 CO 0.00 0.34 -0.32 -0.31 0.09 0.00 0.00 178.44 178.25 3i3u s TYR 16 N -3.08 3.48 -0.00 1.13 1.51 -0.70 0.02 117.35 119.71 3i3u s TYR 16 Ca 0.01 0.25 0.05 0.00 -1.01 0.00 0.00 57.07 56.37 3i3u s TYR 16 Cb 0.08 -1.79 -0.01 0.00 -0.11 0.00 0.00 41.96 40.13 3i3u s TYR 16 CO 0.77 0.32 -0.16 -1.50 -1.11 0.00 0.00 175.55 173.86 3i3u s ILE 17 N -2.03 1.29 0.01 2.71 2.07 -0.51 -4.79 121.20 119.95 3i3u s ILE 17 Ca 0.38 -0.75 -0.39 0.00 -1.41 0.00 0.00 60.65 58.47 3i3u s ILE 17 Cb -0.10 -1.08 -0.19 0.00 0.13 0.00 0.00 42.46 41.22 3i3u s ILE 17 CO 0.31 0.32 1.19 -0.67 -1.91 0.00 0.00 174.94 174.17 3i3u n ASP 18 N 2.55 0.63 0.20 4.50 4.64 -1.26 -1.84 116.55 125.96 3i3u n ASP 18 Ca -0.15 1.15 0.14 0.00 -1.38 0.00 0.00 54.79 54.55 3i3u n ASP 18 Cb 0.54 -1.02 0.49 0.00 -1.04 0.00 0.00 41.12 40.10 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 3.65 0.00 0.16 -0.67 2.07 -1.96 -2.85 115.15 115.55 3i3u h HIS 19 Ca -0.50 0.00 -0.35 0.00 -2.85 0.00 0.00 60.37 56.68 3i3u h HIS 19 Cb 1.39 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.37 3i3u h HIS 19 CO 0.58 0.00 -1.78 1.25 -3.07 0.00 0.00 177.93 174.91 3i3u h HIS 20 N 0.00 0.61 -0.63 6.12 -0.00 -1.90 -3.35 115.15 116.00 3i3u h HIS 20 Ca 0.00 -0.45 -0.01 0.00 -0.00 0.00 0.00 60.37 59.91 3i3u h HIS 20 Cb 0.60 -0.02 -0.03 0.00 -0.00 0.00 0.00 27.41 27.96 3i3u h HIS 20 CO 0.00 1.65 0.35 1.15 -0.00 0.00 0.00 177.93 181.08 3i3u h THR 21 N 0.09 1.20 0.36 6.26 2.02 -1.87 0.23 112.91 121.19 3i3u h THR 21 Ca -0.35 -0.50 -0.00 0.00 0.77 0.00 0.00 66.41 66.33 3i3u h THR 21 Cb 2.07 0.37 -0.03 0.00 -1.74 0.00 0.00 68.15 68.83 3i3u h THR 21 CO 0.15 0.22 -0.46 0.58 0.37 0.00 0.00 175.52 176.38 3i3u h VAL 22 N 0.86 0.09 -0.67 3.16 2.07 -1.69 -1.62 116.25 118.45 3i3u h VAL 22 Ca 0.22 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.71 3i3u h VAL 22 Cb 0.03 0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 29.86 3i3u h VAL 22 CO -0.04 0.00 0.29 -0.07 0.02 0.00 0.00 177.57 177.77 3i3u h LEU 23 N -0.86 0.88 0.00 2.57 -0.00 -1.67 -1.17 115.31 115.06 3i3u h LEU 23 Ca -0.03 -0.11 0.00 0.00 -0.00 0.00 0.00 57.88 57.74 3i3u h LEU 23 Cb 0.79 -0.23 0.00 0.00 -0.00 0.00 0.00 40.66 41.22 3i3u h LEU 23 CO -0.12 0.77 0.02 0.00 -0.00 0.00 0.00 178.44 179.11 3i3u n ALA 24 N -2.44 0.96 -2.81 1.53 0.00 0.79 -5.13 120.51 113.41 3i3u n ALA 24 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.18 3i3u n ALA 24 Cb 0.16 -0.96 -0.06 0.00 0.00 0.00 0.00 19.45 18.58 3i3u n ALA 24 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3i3u s ASP 25 N -2.96 5.79 0.00 0.00 2.15 -0.45 -5.03 116.67 116.17 3i3u s ASP 25 Ca 0.00 0.14 0.00 0.00 0.43 0.00 0.00 52.55 53.12 3i3u s ASP 25 Cb 0.00 -1.67 0.00 0.00 -0.30 0.00 0.00 42.92 40.95 3i3u s ASP 25 CO 0.00 0.23 0.00 0.35 -0.17 0.00 0.00 175.17 175.58 3i3u n THR 30 N 0.85 0.00 -3.07 1.71 -2.24 -1.26 -4.79 114.28 105.48 3i3u n THR 30 Ca -0.11 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.45 3i3u n THR 30 Cb 0.52 0.00 0.02 0.00 -2.10 0.00 0.00 70.33 68.77 3i3u n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i3u n GLY 31 N 0.00 0.11 0.00 3.38 0.00 -1.26 -4.92 105.19 102.50 3i3u n GLY 31 Ca 0.00 0.65 0.00 0.00 0.00 0.00 0.00 46.02 46.67 3i3u n GLY 31 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3i3u n LYS 32 N 0.33 -0.65 -4.47 1.61 2.85 -1.26 -5.03 118.16 111.55 3i3u n LYS 32 Ca -0.05 -0.40 -0.34 0.00 -1.05 0.00 0.00 58.31 56.47 3i3u n LYS 32 Cb 0.54 -0.87 -0.12 0.00 -0.65 0.00 0.00 35.03 33.93 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 -0.02 3.01 -0.44 5.58 2.02 -1.26 -1.05 117.35 125.18 3i3u s TYR 33 Ca 0.00 -0.19 0.03 0.00 -0.37 0.00 0.00 57.07 56.54 3i3u s TYR 33 Cb 0.00 -1.88 0.12 0.00 -0.40 0.00 0.00 41.96 39.80 3i3u s TYR 33 CO 0.00 0.09 0.19 0.08 -1.57 0.00 0.00 175.55 174.34 3i3u s VAL 34 N -0.02 2.17 0.65 0.71 1.01 -0.95 -4.97 120.40 118.99 3i3u s VAL 34 Ca 0.01 -2.80 -0.18 0.00 0.00 0.00 0.00 61.98 59.01 3i3u s VAL 34 Cb -0.13 -2.54 -0.02 0.00 0.00 0.00 0.00 36.38 33.69 3i3u s VAL 34 CO 0.03 -0.76 1.10 0.52 0.00 0.00 0.00 175.10 175.99 3i3u n VAL 35 N 3.60 4.11 -3.75 2.92 0.31 -1.26 -3.17 118.33 121.09 3i3u n VAL 35 Ca 0.05 -0.48 -0.23 0.00 -0.01 0.00 0.00 64.34 63.67 3i3u n VAL 35 Cb 0.36 -1.28 -0.17 0.00 -0.91 0.00 0.00 33.84 31.83 3i3u n VAL 35 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3i3u s LEU 36 N -3.23 0.56 -0.33 7.52 1.43 0.99 -2.72 118.68 122.90 3i3u s LEU 36 Ca 0.79 -0.15 -0.24 0.00 -1.03 0.00 0.00 54.13 53.49 3i3u s LEU 36 Cb -0.39 -0.40 0.01 0.00 0.03 0.00 0.00 46.19 45.44 3i3u s LEU 36 CO 0.44 -0.22 0.84 -0.62 0.23 0.00 0.00 176.35 177.02 3i3u s ASP 37 N 2.00 6.67 -0.04 2.29 -1.08 -0.36 -0.60 116.67 125.56 3i3u s ASP 37 Ca 0.04 0.64 0.12 0.00 -0.52 0.00 0.00 52.55 52.83 3i3u s ASP 37 Cb -0.13 -2.43 0.37 0.00 -1.46 0.00 0.00 42.92 39.27 3i3u s ASP 37 CO -0.05 -0.70 1.30 1.33 0.52 0.00 0.00 175.17 177.57 3i3u n VAL 38 N 5.67 1.28 -2.94 1.11 0.24 -1.21 -3.81 118.33 118.69 3i3u n VAL 38 Ca 0.05 -1.18 -0.31 0.00 -2.04 0.00 0.00 64.34 60.86 3i3u n VAL 38 Cb 0.48 0.34 -0.04 0.00 -1.47 0.00 0.00 33.84 33.15 3i3u n VAL 38 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i3u s ARG 39 N -1.39 3.87 -0.75 7.34 1.70 -1.26 -1.99 118.95 126.47 3i3u s ARG 39 Ca 0.28 0.57 -0.00 0.00 -0.47 0.00 0.00 55.73 56.11 3i3u s ARG 39 Cb 0.17 -2.39 0.37 0.00 -0.57 0.00 0.00 34.95 32.53 3i3u s ARG 39 CO 0.15 0.02 1.81 0.09 -1.08 0.00 0.00 175.30 176.29 3i3u n ASN 40 N -0.97 6.87 -2.33 -2.89 3.02 -1.26 -4.56 115.26 113.13 3i3u n ASN 40 Ca 0.03 -3.81 -0.01 0.00 -0.03 0.00 0.00 54.58 50.76 3i3u n ASN 40 Cb 0.54 -0.92 -0.00 0.00 -0.61 0.00 0.00 39.78 38.78 3i3u n ASN 40 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 3i3u n ILE 50 N -0.53 -5.46 -1.50 2.41 5.41 -1.26 -5.13 119.36 113.30 3i3u n ILE 50 Ca 0.50 1.23 -0.40 0.00 1.00 0.00 0.00 62.75 65.09 3i3u n ILE 50 Cb 0.33 -3.53 0.02 0.00 -0.71 0.00 0.00 39.64 35.76 3i3u n ILE 50 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 3i3u n LYS 51 N 2.01 0.72 0.00 0.38 5.02 -1.26 -2.18 118.16 122.85 3i3u n LYS 51 Ca -0.04 0.27 0.00 0.00 -2.02 0.00 0.00 58.31 56.51 3i3u n LYS 51 Cb 0.07 -1.72 0.00 0.00 -0.02 0.00 0.00 35.03 33.36 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 1.64 3.18 3.69 0.72 0.00 -1.26 -5.03 105.19 108.14 3i3u n GLY 52 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.37 3.49 -0.14 4.61 0.00 -0.93 -4.79 121.76 121.63 3i3u s ALA 53 Ca 0.00 0.59 -0.29 0.00 0.00 0.00 0.00 51.96 52.26 3i3u s ALA 53 Cb 0.00 -3.51 -0.01 0.00 0.00 0.00 0.00 23.12 19.60 3i3u s ALA 53 CO 0.00 -0.75 1.15 0.42 0.00 0.00 0.00 175.76 176.58 3i3u s ILE 54 N 2.20 4.46 0.88 0.00 1.01 -1.10 -4.73 121.20 123.92 3i3u s ILE 54 Ca 0.55 1.76 -0.11 0.00 0.00 0.00 0.00 60.65 62.85 3i3u s ILE 54 Cb -0.24 -4.14 0.12 0.00 0.01 0.00 0.00 42.46 38.22 3i3u s ILE 54 CO 0.21 -0.08 1.09 0.00 0.00 0.00 0.00 174.94 176.16 3i3u s ALA 55 N 2.79 1.61 0.02 9.38 0.00 -1.26 -1.23 121.76 133.06 3i3u s ALA 55 Ca 0.51 0.01 0.07 0.00 0.00 0.00 0.00 51.96 52.55 3i3u s ALA 55 Cb -0.20 -3.21 -0.02 0.00 0.00 0.00 0.00 23.12 19.68 3i3u s ALA 55 CO 0.15 -2.31 -0.22 -2.14 0.00 0.00 0.00 175.76 171.25 3i3u s PRO 57 N -4.91 1.58 0.36 0.00 0.02 -1.25 -4.84 135.00 125.96 3i3u s PRO 57 Ca 0.63 -0.88 0.05 0.00 0.02 0.00 0.00 61.00 60.83 3i3u s PRO 57 Cb -0.18 -1.63 0.71 0.00 0.02 0.00 0.00 34.50 33.43 3i3u s PRO 57 CO 0.57 0.43 1.96 0.00 -0.33 0.00 0.00 177.00 179.63 3i3u h ALA 58 N 5.19 1.67 -0.25 -1.55 0.00 -1.72 0.28 119.26 122.88 3i3u h ALA 58 Ca -0.42 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 3i3u h ALA 58 Cb 1.15 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 3i3u h ALA 58 CO 0.46 0.22 0.10 1.57 0.00 0.00 0.00 179.25 181.59 3i3u h LYS 59 N 0.79 0.35 -0.02 0.00 2.10 -1.98 -2.50 116.57 115.31 3i3u h LYS 59 Ca 0.31 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.92 3i3u h LYS 59 Cb 0.22 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 31.48 3i3u h LYS 59 CO -0.10 0.30 -0.29 -0.25 -2.00 0.00 0.00 179.45 177.10 3i3u n ASP 60 N -4.43 1.94 0.23 7.07 8.00 -0.55 -4.39 116.55 124.43 3i3u n ASP 60 Ca 0.01 -1.47 0.09 0.00 0.71 0.00 0.00 54.79 54.13 3i3u n ASP 60 Cb 0.13 0.37 0.58 0.00 -0.02 0.00 0.00 41.12 42.18 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 2.38 0.00 -0.11 0.64 5.85 -0.01 -1.37 115.31 122.68 3i3u h LEU 61 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3i3u h LEU 61 Cb 0.65 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.68 3i3u h LEU 61 CO 0.00 0.20 -0.19 0.00 -0.34 0.00 0.00 178.44 178.11 3i3u n ALA 62 N -2.35 2.87 0.51 1.25 0.00 -1.25 -2.44 120.51 119.11 3i3u n ALA 62 Ca -0.02 -0.25 0.05 0.00 0.00 0.00 0.00 53.44 53.23 3i3u n ALA 62 Cb 0.30 -1.31 -0.06 0.00 0.00 0.00 0.00 19.45 18.38 3i3u n ALA 62 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3i3u n THR 63 N -1.24 0.00 -0.17 0.00 -1.04 -0.72 -4.37 114.28 106.74 3i3u n THR 63 Ca 0.10 -0.24 0.03 0.00 -2.04 0.00 0.00 64.05 61.90 3i3u n THR 63 Cb 0.31 0.99 0.08 0.00 -1.82 0.00 0.00 70.33 69.89 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 -1.27 2.86 0.24 -2.82 1.74 -0.60 -4.64 116.66 112.17 3i3u n ARG 64 Ca 0.02 -1.84 0.13 0.00 -0.77 0.00 0.00 57.85 55.39 3i3u n ARG 64 Cb 0.17 -1.17 0.70 0.00 -1.02 0.00 0.00 32.46 31.14 3i3u n ARG 64 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 3i3u h ILE 65 N 0.90 0.00 0.00 0.55 6.09 -1.68 0.13 117.51 123.51 3i3u h ILE 65 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 3i3u h ILE 65 Cb 0.66 0.57 0.00 0.00 0.47 0.00 0.00 36.82 38.52 3i3u h ILE 65 CO 0.01 0.00 0.00 1.23 -3.07 0.00 0.00 178.15 176.32 3i3u h GLY 66 N 0.00 0.00 1.83 8.18 0.00 -1.89 -3.19 103.07 108.01 3i3u h GLY 66 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3i3u h GLY 66 CO 0.00 0.00 -0.14 0.83 0.00 0.00 0.00 176.54 177.23 3i3u h GLU 67 N 0.00 0.00 -7.05 4.80 5.08 -1.10 -3.46 114.58 112.85 3i3u h GLU 67 Ca 0.00 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 57.87 3i3u h GLU 67 Cb 0.80 0.00 0.04 0.00 0.50 0.00 0.00 28.75 30.09 3i3u h GLU 67 CO 0.00 0.00 0.42 -0.51 -1.00 0.00 0.00 179.01 177.92 3i3u s LEU 68 N -4.89 3.90 -0.36 1.33 1.43 -1.21 -5.03 118.68 113.85 3i3u s LEU 68 Ca 0.09 2.07 -0.10 0.00 -1.03 0.00 0.00 54.13 55.16 3i3u s LEU 68 Cb 0.11 -4.45 0.03 0.00 0.03 0.00 0.00 46.19 41.90 3i3u s LEU 68 CO 0.64 -0.86 0.18 -0.62 0.23 0.00 0.00 176.35 175.92 3i3u s ASP 69 N -1.76 5.63 0.35 2.29 2.15 -1.26 -4.96 116.67 119.10 3i3u s ASP 69 Ca 0.66 -1.01 0.09 0.00 0.43 0.00 0.00 52.55 52.73 3i3u s ASP 69 Cb -0.21 -1.99 0.49 0.00 -0.30 0.00 0.00 42.92 40.91 3i3u s ASP 69 CO 0.25 -0.36 1.13 -0.65 -0.17 0.00 0.00 175.17 175.37 3i3u h PRO 70 N 8.38 0.00 0.06 4.34 0.11 -1.98 0.26 132.00 143.18 3i3u h PRO 70 Ca -0.25 0.00 -0.33 0.00 0.11 0.00 0.00 66.00 65.53 3i3u h PRO 70 Cb 1.10 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.18 3i3u h PRO 70 CO 0.65 0.00 -1.83 0.00 -0.21 0.00 0.00 178.00 176.61 3i3u h ALA 71 N 0.76 0.60 -2.75 -0.75 0.00 -2.00 -3.45 119.26 111.66 3i3u h ALA 71 Ca 0.00 -1.42 -0.51 0.00 0.00 0.00 0.00 54.91 52.98 3i3u h ALA 71 Cb 0.95 0.58 0.02 0.00 0.00 0.00 0.00 17.79 19.34 3i3u h ALA 71 CO 0.00 1.45 0.50 0.15 0.00 0.00 0.00 179.25 181.35 3i3u s LYS 72 N -2.58 4.59 -0.37 0.00 -0.14 0.91 -5.01 119.74 117.14 3i3u s LYS 72 Ca -0.13 1.82 -0.19 0.00 -1.36 0.00 0.00 55.97 56.11 3i3u s LYS 72 Cb 0.07 -3.21 0.00 0.00 -1.68 0.00 0.00 37.83 33.01 3i3u s LYS 72 CO 0.80 0.12 0.56 0.99 -0.76 0.00 0.00 175.35 177.06 3i3u s THR 73 N -0.78 4.96 0.22 2.17 2.01 -0.21 -4.69 115.64 119.31 3i3u s THR 73 Ca 0.47 0.34 -0.20 0.00 0.31 0.00 0.00 61.69 62.61 3i3u s THR 73 Cb -0.32 -4.03 -0.08 0.00 0.01 0.00 0.00 72.50 68.08 3i3u s THR 73 CO 0.39 -0.30 0.72 -0.31 -0.69 0.00 0.00 174.62 174.43 3i3u s TYR 74 N 2.52 3.66 -0.12 4.92 2.02 -1.04 -2.25 117.35 127.07 3i3u s TYR 74 Ca 0.20 1.39 0.02 0.00 -0.37 0.00 0.00 57.07 58.31 3i3u s TYR 74 Cb -0.15 -2.62 0.01 0.00 -0.40 0.00 0.00 41.96 38.81 3i3u s TYR 74 CO 0.14 0.35 -0.16 0.08 -1.57 0.00 0.00 175.55 174.39 3i3u s VAL 75 N -1.50 1.61 -0.06 0.71 1.01 -1.19 -1.71 120.40 119.26 3i3u s VAL 75 Ca 0.42 -0.70 -0.14 0.00 0.00 0.00 0.00 61.98 61.56 3i3u s VAL 75 Cb -0.17 -1.46 -0.05 0.00 0.00 0.00 0.00 36.38 34.70 3i3u s VAL 75 CO 0.21 0.46 0.35 0.68 0.00 0.00 0.00 175.10 176.81 3i3u s VAL 76 N 1.01 5.17 -0.20 2.92 -7.23 -0.30 -0.01 120.40 121.77 3i3u s VAL 76 Ca -0.05 0.70 -0.06 0.00 -1.81 0.00 0.00 61.98 60.76 3i3u s VAL 76 Cb -0.15 -3.66 -0.03 0.00 0.56 0.00 0.00 36.38 33.10 3i3u s VAL 76 CO -0.03 0.52 0.02 -0.47 -0.31 0.00 0.00 175.10 174.83 3i3u s TYR 77 N -0.55 3.08 0.00 2.82 6.04 0.24 -0.80 117.35 128.17 3i3u s TYR 77 Ca 0.21 -0.33 0.00 0.00 0.04 0.00 0.00 57.07 57.00 3i3u s TYR 77 Cb -0.15 -2.10 0.00 0.00 -1.04 0.00 0.00 41.96 38.67 3i3u s TYR 77 CO 0.10 -0.16 0.00 -3.47 -1.54 0.00 0.00 175.55 170.48 3i3u n ASP 78 N 4.14 0.00 0.00 4.32 2.03 -1.26 -3.29 116.55 122.50 3i3u n ASP 78 Ca -0.17 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.14 3i3u n ASP 78 Cb 0.52 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.92 3i3u n ASP 78 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 3i3u n THR 84 N 0.00 0.00 -0.08 5.18 -2.24 -1.26 -5.04 114.28 110.84 3i3u n THR 84 Ca 0.00 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.67 3i3u n THR 84 Cb 0.00 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.19 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 0.44 -1.54 3.22 5.85 -1.99 0.12 115.31 121.41 3i3u h LEU 85 Ca 0.00 -0.33 -0.05 0.00 0.84 0.00 0.00 57.88 58.34 3i3u h LEU 85 Cb 0.00 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 3i3u h LEU 85 CO 0.00 0.67 -0.21 1.23 -0.34 0.00 0.00 178.44 179.78 3i3u h GLY 86 N 0.20 0.02 0.47 3.75 0.00 -1.92 -1.84 103.07 103.75 3i3u h GLY 86 Ca 0.07 -0.01 -0.01 0.00 0.00 0.00 0.00 47.33 47.37 3i3u h GLY 86 CO 0.02 0.01 -0.04 0.50 0.00 0.00 0.00 176.54 177.03 3i3u h LYS 87 N 0.02 0.06 -0.38 4.80 1.79 -1.91 -2.87 116.57 118.08 3i3u h LYS 87 Ca 0.00 -0.04 0.06 0.00 -2.18 0.00 0.00 60.65 58.49 3i3u h LYS 87 Cb 0.39 0.01 -0.05 0.00 -1.58 0.00 0.00 32.23 31.00 3i3u h LYS 87 CO 0.03 0.63 0.07 1.15 -1.08 0.00 0.00 179.45 180.24 3i3u h THR 88 N -0.50 0.79 -0.34 -0.16 2.02 -0.46 -0.01 112.91 114.26 3i3u h THR 88 Ca 0.00 -0.06 0.07 0.00 0.77 0.00 0.00 66.41 67.18 3i3u h THR 88 Cb 0.63 0.59 -0.06 0.00 -1.74 0.00 0.00 68.15 67.56 3i3u h THR 88 CO 0.01 0.03 -0.08 0.00 0.37 0.00 0.00 175.52 175.85 3i3u h ALA 89 N 1.29 0.23 -0.30 6.16 0.00 -1.40 0.28 119.26 125.52 3i3u h ALA 89 Ca 0.18 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3i3u h ALA 89 Cb 0.22 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3i3u h ALA 89 CO -0.25 -0.46 0.19 1.25 0.00 0.00 0.00 179.25 179.99 3i3u h LEU 90 N 0.00 0.35 -0.70 0.00 5.85 -1.18 -1.39 115.31 118.23 3i3u h LEU 90 Ca 0.16 -0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.91 3i3u h LEU 90 Cb 0.24 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.14 3i3u h LEU 90 CO -0.34 0.26 0.41 0.25 -0.34 0.00 0.00 178.44 178.68 3i3u h LEU 91 N 0.40 0.65 -0.09 2.25 5.85 -0.24 0.62 115.31 124.74 3i3u h LEU 91 Ca 0.11 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.87 3i3u h LEU 91 Cb -0.03 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 40.86 3i3u h LEU 91 CO -0.02 0.43 -0.04 0.58 -0.34 0.00 0.00 178.44 179.05 3i3u h VAL 92 N 0.78 0.87 0.66 1.05 2.07 -0.46 0.12 116.25 121.34 3i3u h VAL 92 Ca 0.30 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.79 3i3u h VAL 92 Cb 0.13 0.87 0.00 0.00 -1.52 0.00 0.00 31.29 30.77 3i3u h VAL 92 CO -0.15 0.00 -0.35 -0.07 0.02 0.00 0.00 177.57 177.01 3i3u h LEU 93 N -0.02 -0.86 -1.11 2.57 3.38 -0.37 -0.56 115.31 118.33 3i3u h LEU 93 Ca 0.05 0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.11 3i3u h LEU 93 Cb 0.10 0.24 -0.06 0.00 0.09 0.00 0.00 40.66 41.03 3i3u h LEU 93 CO -0.11 -0.58 0.60 -0.07 0.09 0.00 0.00 178.44 178.38 3i3u h LEU 94 N -0.93 0.97 -0.90 1.67 3.38 -0.88 -1.21 115.31 117.41 3i3u h LEU 94 Ca -0.09 -0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.81 3i3u h LEU 94 Cb 0.74 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 3i3u h LEU 94 CO 0.12 0.64 -0.02 0.28 0.09 0.00 0.00 178.44 179.55 3i3u h SER 95 N 1.11 0.77 0.62 -0.43 0.02 -0.76 -1.94 113.55 112.94 3i3u h SER 95 Ca 0.38 -0.19 -0.01 0.00 -0.84 0.00 0.00 61.79 61.13 3i3u h SER 95 Cb 0.10 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 62.43 3i3u h SER 95 CO -0.13 0.84 -0.03 0.00 -1.14 0.00 0.00 176.83 176.37 3i3u h ALA 96 N 1.24 1.04 0.00 3.77 0.00 0.10 -3.46 119.26 121.95 3i3u h ALA 96 Ca 0.14 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3i3u h ALA 96 Cb 0.48 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3i3u h ALA 96 CO 0.02 0.04 0.00 0.41 0.00 0.00 0.00 179.25 179.72 3i3u n GLY 97 N -0.39 0.99 3.78 0.00 0.00 -0.73 -5.09 105.19 103.74 3i3u n GLY 97 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.00 2.76 -0.34 1.61 0.08 -0.87 -4.97 117.98 114.24 3i3u s PHE 98 Ca 0.00 1.54 -0.20 0.00 0.12 0.00 0.00 56.93 58.39 3i3u s PHE 98 Cb 0.00 -3.15 -0.00 0.00 -0.57 0.00 0.00 43.02 39.30 3i3u s PHE 98 CO 0.00 -1.44 0.61 -2.00 -0.10 0.00 0.00 175.22 172.29 3i3u s GLU 99 N -3.81 3.73 0.16 0.44 2.12 -1.26 -4.08 118.70 116.00 3i3u s GLU 99 Ca 0.68 0.08 0.01 0.00 0.36 0.00 0.00 54.97 56.10 3i3u s GLU 99 Cb -0.20 -3.79 -0.05 0.00 0.26 0.00 0.00 34.13 30.36 3i3u s GLU 99 CO 0.35 -0.68 0.01 0.00 -0.54 0.00 0.00 175.26 174.40 3i3u s ALA 100 N 2.62 1.26 0.07 6.30 0.00 -1.26 -2.48 121.76 128.28 3i3u s ALA 100 Ca 0.24 -1.57 -0.12 0.00 0.00 0.00 0.00 51.96 50.51 3i3u s ALA 100 Cb -0.15 0.58 0.01 0.00 0.00 0.00 0.00 23.12 23.57 3i3u s ALA 100 CO 0.14 -0.34 0.27 0.71 0.00 0.00 0.00 175.76 176.54 3i3u s TYR 101 N -3.72 -0.03 -0.13 0.00 2.02 -0.70 -4.97 117.35 109.82 3i3u s TYR 101 Ca 0.24 -0.24 -0.11 0.00 -0.37 0.00 0.00 57.07 56.59 3i3u s TYR 101 Cb 0.06 0.06 -0.05 0.00 -0.40 0.00 0.00 41.96 41.64 3i3u s TYR 101 CO 0.03 -0.54 0.22 -2.00 -1.57 0.00 0.00 175.55 171.70 3i3u s GLU 102 N -3.13 3.92 0.04 -0.62 2.12 0.10 -1.15 118.70 119.99 3i3u s GLU 102 Ca -0.01 -0.01 -0.30 0.00 0.36 0.00 0.00 54.97 55.01 3i3u s GLU 102 Cb 0.01 -3.32 -0.09 0.00 0.26 0.00 0.00 34.13 30.99 3i3u s GLU 102 CO -0.07 0.50 1.96 -0.11 -0.54 0.00 0.00 175.26 177.00 3i3u n LEU 103 N 2.77 4.14 -0.49 2.70 7.94 0.02 -1.42 117.00 132.66 3i3u n LEU 103 Ca -0.16 0.91 0.14 0.00 -1.11 0.00 0.00 56.01 55.79 3i3u n LEU 103 Cb 0.53 -1.52 0.52 0.00 0.53 0.00 0.00 43.42 43.47 3i3u n LEU 103 CO 0.36 0.19 0.86 0.00 -1.11 0.00 0.00 177.39 177.70