#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 0.00 -0.00 6.41 3.32 -2.05 -3.27 116.42 120.83 3i3u h ASP 3 Ca 0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 3i3u h ASP 3 Cb 0.00 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 3i3u h ASP 3 CO 0.00 0.01 0.00 0.11 -1.72 0.00 0.00 179.24 177.64 3i3u h LYS 4 N 0.00 0.01 0.15 3.56 1.57 -2.04 0.28 116.57 120.09 3i3u h LYS 4 Ca -0.00 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3i3u h LYS 4 Cb 0.71 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.01 3i3u h LYS 4 CO 0.00 0.23 -0.12 0.87 -0.57 0.00 0.00 179.45 179.86 3i3u h LYS 5 N -0.22 -0.27 -0.04 3.15 1.57 -1.99 0.36 116.57 119.13 3i3u h LYS 5 Ca 0.00 0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.83 3i3u h LYS 5 Cb 0.23 0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.55 3i3u h LYS 5 CO 0.00 -0.18 -0.23 0.82 -0.57 0.00 0.00 179.45 179.29 3i3u h ILE 6 N -0.28 0.46 -0.54 1.86 2.04 -1.61 0.35 117.51 119.79 3i3u h ILE 6 Ca -0.01 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.89 3i3u h ILE 6 Cb 0.25 0.46 -0.04 0.00 -0.74 0.00 0.00 36.82 36.76 3i3u h ILE 6 CO -0.01 0.00 0.30 -0.08 0.00 0.00 0.00 178.15 178.36 3i3u h GLU 7 N -0.34 0.57 -0.08 2.37 4.57 -0.18 0.35 114.58 121.85 3i3u h GLU 7 Ca 0.07 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.22 3i3u h GLU 7 Cb 0.44 -0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 28.90 3i3u h GLU 7 CO -0.23 0.38 0.04 1.25 -1.18 0.00 0.00 179.01 179.26 3i3u h LEU 8 N 0.59 0.11 -0.87 1.64 5.85 0.30 -1.94 115.31 120.99 3i3u h LEU 8 Ca 0.23 -0.12 -0.05 0.00 0.84 0.00 0.00 57.88 58.78 3i3u h LEU 8 Cb 0.09 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 3i3u h LEU 8 CO -0.13 0.20 0.21 -0.07 -0.34 0.00 0.00 178.44 178.30 3i3u h LEU 9 N 0.01 0.98 -0.36 2.25 3.38 0.11 0.19 115.31 121.86 3i3u h LEU 9 Ca 0.03 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 3i3u h LEU 9 Cb 0.12 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 3i3u h LEU 9 CO -0.00 0.91 0.22 0.74 0.09 0.00 0.00 178.44 180.40 3i3u h THR 10 N 1.01 1.12 -0.03 0.22 2.02 -0.17 0.35 112.91 117.42 3i3u h THR 10 Ca 0.22 -0.26 -0.20 0.00 0.77 0.00 0.00 66.41 66.94 3i3u h THR 10 Cb 0.29 0.64 -0.00 0.00 -1.74 0.00 0.00 68.15 67.33 3i3u h THR 10 CO -0.01 0.12 -0.84 0.74 0.37 0.00 0.00 175.52 175.90 3i3u h THR 11 N 0.48 1.41 -0.30 3.16 2.02 -1.10 -2.07 112.91 116.52 3i3u h THR 11 Ca 0.13 -2.36 -0.03 0.00 0.77 0.00 0.00 66.41 64.93 3i3u h THR 11 Cb -0.01 2.30 -0.01 0.00 -1.74 0.00 0.00 68.15 68.70 3i3u h THR 11 CO -0.03 0.70 0.08 0.22 0.37 0.00 0.00 175.52 176.87 3i3u h TYR 12 N 0.22 0.49 -0.14 3.16 3.20 -0.47 -3.10 116.97 120.33 3i3u h TYR 12 Ca -0.05 -0.05 -0.10 0.00 3.14 0.00 0.00 58.73 61.66 3i3u h TYR 12 Cb 1.45 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 39.57 3i3u h TYR 12 CO 0.05 0.52 -0.36 -0.07 -1.64 0.00 0.00 178.16 176.66 3i3u h LEU 13 N 0.32 0.31 0.00 2.82 3.38 -0.93 -2.84 115.31 118.37 3i3u h LEU 13 Ca 0.09 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3i3u h LEU 13 Cb 0.27 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.93 3i3u h LEU 13 CO -0.00 0.65 0.00 -1.54 0.09 0.00 0.00 178.44 177.63 3i3u n SER 14 N -4.07 0.00 0.12 -0.43 3.41 -0.78 -1.24 113.62 110.63 3i3u n SER 14 Ca -0.01 -0.34 0.12 0.00 -0.26 0.00 0.00 58.87 58.37 3i3u n SER 14 Cb 0.45 -0.07 0.05 0.00 -0.26 0.00 0.00 64.21 64.38 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 -9.69 1.04 3.38 -1.54 -3.47 115.31 105.03 3i3u h LEU 15 Ca 0.00 -0.02 -0.62 0.00 0.09 0.00 0.00 57.88 57.33 3i3u h LEU 15 Cb 0.03 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.70 3i3u h LEU 15 CO 0.00 0.01 -0.59 -0.31 0.09 0.00 0.00 178.44 177.64 3i3u s TYR 16 N -3.32 3.20 -0.23 1.13 1.51 -0.38 -0.86 117.35 118.41 3i3u s TYR 16 Ca 0.02 0.06 -0.05 0.00 -1.01 0.00 0.00 57.07 56.09 3i3u s TYR 16 Cb 0.09 -1.60 -0.01 0.00 -0.11 0.00 0.00 41.96 40.33 3i3u s TYR 16 CO 0.76 0.52 -0.02 -1.50 -1.11 0.00 0.00 175.55 174.21 3i3u s ILE 17 N -1.49 3.58 0.31 2.71 2.07 -0.12 -4.82 121.20 123.44 3i3u s ILE 17 Ca 0.30 -0.42 -0.30 0.00 -1.41 0.00 0.00 60.65 58.82 3i3u s ILE 17 Cb -0.12 -2.64 -0.12 0.00 0.13 0.00 0.00 42.46 39.71 3i3u s ILE 17 CO 0.23 0.40 1.55 -0.67 -1.91 0.00 0.00 174.94 174.54 3i3u n ASP 18 N 4.82 3.71 0.28 4.50 -0.08 -1.26 -2.64 116.55 125.87 3i3u n ASP 18 Ca -0.18 1.16 0.18 0.00 -1.51 0.00 0.00 54.79 54.45 3i3u n ASP 18 Cb 0.51 -1.58 0.95 0.00 2.34 0.00 0.00 41.12 43.34 3i3u n ASP 18 CO 0.00 0.00 0.00 1.12 0.12 0.00 0.00 177.20 178.44 3i3u h HIS 19 N 4.30 0.00 0.00 -0.67 2.07 -1.96 0.19 115.15 119.08 3i3u h HIS 19 Ca -0.47 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.05 3i3u h HIS 19 Cb 1.23 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.21 3i3u h HIS 19 CO 0.57 0.00 0.00 1.25 -3.07 0.00 0.00 177.93 176.68 3i3u h HIS 20 N 0.00 0.00 0.10 6.12 6.17 -1.98 -1.97 115.15 123.59 3i3u h HIS 20 Ca 0.04 0.00 -0.29 0.00 0.71 0.00 0.00 60.37 60.83 3i3u h HIS 20 Cb 0.33 0.00 -0.01 0.00 2.52 0.00 0.00 27.41 30.25 3i3u h HIS 20 CO 0.00 0.00 -1.53 1.15 0.71 0.00 0.00 177.93 178.26 3i3u h THR 21 N 0.00 0.91 0.00 6.26 2.02 -0.98 -3.23 112.91 117.88 3i3u h THR 21 Ca 0.00 -2.34 0.00 0.00 0.77 0.00 0.00 66.41 64.84 3i3u h THR 21 Cb 0.87 2.57 0.00 0.00 -1.74 0.00 0.00 68.15 69.85 3i3u h THR 21 CO 0.00 0.68 0.00 0.58 0.37 0.00 0.00 175.52 177.15 3i3u h VAL 22 N -0.34 0.00 -0.86 3.16 2.07 -1.49 -2.21 116.25 116.58 3i3u h VAL 22 Ca -0.34 -0.39 0.03 0.00 0.82 0.00 0.00 66.70 66.83 3i3u h VAL 22 Cb 1.75 1.37 -0.05 0.00 -1.52 0.00 0.00 31.29 32.84 3i3u h VAL 22 CO 0.02 0.00 0.57 0.25 0.02 0.00 0.00 177.57 178.43 3i3u h LEU 23 N 0.00 0.93 0.00 2.57 6.46 -1.37 -1.81 115.31 122.09 3i3u h LEU 23 Ca 0.00 -0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.75 3i3u h LEU 23 Cb 0.39 -0.22 0.00 0.00 -0.73 0.00 0.00 40.66 40.10 3i3u h LEU 23 CO 0.00 0.64 0.00 0.00 -0.62 0.00 0.00 178.44 178.46 3i3u n ALA 24 N -2.40 2.32 -3.33 1.25 0.00 -0.83 -5.08 120.51 112.44 3i3u n ALA 24 Ca 0.11 -0.11 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 3i3u n ALA 24 Cb 0.10 -1.45 0.01 0.00 0.00 0.00 0.00 19.45 18.11 3i3u n ALA 24 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3i3u n ASP 25 N -1.41 1.02 0.00 0.00 -0.08 -0.69 -5.15 116.55 110.24 3i3u n ASP 25 Ca 0.10 -1.43 0.00 0.00 -1.51 0.00 0.00 54.79 51.94 3i3u n ASP 25 Cb 0.28 -0.05 0.00 0.00 2.34 0.00 0.00 41.12 43.69 3i3u n ASP 25 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 3i3u n LYS 32 N -1.05 0.00 -4.64 -0.67 0.00 -1.26 -5.12 118.16 105.42 3i3u n LYS 32 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 58.31 57.99 3i3u n LYS 32 Cb 0.15 -0.10 -0.12 0.00 0.00 0.00 0.00 35.03 34.96 3i3u n LYS 32 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.40 178.11 3i3u s TYR 33 N 0.00 2.90 -0.29 5.64 2.02 -1.26 -0.90 117.35 125.45 3i3u s TYR 33 Ca 0.00 -0.25 0.02 0.00 -0.37 0.00 0.00 57.07 56.47 3i3u s TYR 33 Cb 0.00 -1.80 0.08 0.00 -0.40 0.00 0.00 41.96 39.85 3i3u s TYR 33 CO 0.00 0.08 0.01 0.08 -1.57 0.00 0.00 175.55 174.16 3i3u s VAL 34 N -0.21 1.75 0.61 0.71 1.01 -0.45 -4.95 120.40 118.87 3i3u s VAL 34 Ca 0.02 -1.74 -0.17 0.00 0.00 0.00 0.00 61.98 60.09 3i3u s VAL 34 Cb -0.13 -2.17 -0.02 0.00 0.00 0.00 0.00 36.38 34.06 3i3u s VAL 34 CO 0.03 -0.41 1.15 -0.69 0.00 0.00 0.00 175.10 175.17 3i3u s VAL 35 N 1.22 2.98 -0.24 2.92 1.01 -1.26 -2.41 120.40 124.63 3i3u s VAL 35 Ca 0.04 0.54 -0.04 0.00 0.00 0.00 0.00 61.98 62.52 3i3u s VAL 35 Cb -0.19 -3.13 0.09 0.00 0.00 0.00 0.00 36.38 33.15 3i3u s VAL 35 CO -0.11 -0.20 0.15 -0.76 0.00 0.00 0.00 175.10 174.19 3i3u s LEU 36 N -4.37 0.27 -0.24 3.92 1.43 0.13 -3.02 118.68 116.81 3i3u s LEU 36 Ca 0.72 -0.83 -0.29 0.00 -1.03 0.00 0.00 54.13 52.70 3i3u s LEU 36 Cb -0.25 -0.08 -0.00 0.00 0.03 0.00 0.00 46.19 45.89 3i3u s LEU 36 CO 0.35 -0.39 1.22 -0.62 0.23 0.00 0.00 176.35 177.14 3i3u s ASP 37 N 2.18 6.87 -0.32 2.29 -1.08 -1.25 -3.31 116.67 122.05 3i3u s ASP 37 Ca 0.06 1.39 0.08 0.00 -0.52 0.00 0.00 52.55 53.56 3i3u s ASP 37 Cb -0.16 -2.54 0.51 0.00 -1.46 0.00 0.00 42.92 39.27 3i3u s ASP 37 CO -0.24 -0.87 1.50 1.33 0.52 0.00 0.00 175.17 177.41 3i3u n VAL 38 N 5.72 2.65 0.00 1.11 0.24 -1.23 -3.86 118.33 122.96 3i3u n VAL 38 Ca 0.14 -2.88 0.00 0.00 -2.04 0.00 0.00 64.34 59.56 3i3u n VAL 38 Cb 0.46 -0.45 0.00 0.00 -1.47 0.00 0.00 33.84 32.38 3i3u n VAL 38 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3i3u n ARG 39 N -1.08 3.61 -3.62 7.34 1.74 -1.26 -3.09 116.66 120.30 3i3u n ARG 39 Ca 0.37 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 57.16 3i3u n ARG 39 Cb 1.04 0.00 -0.13 0.00 -1.02 0.00 0.00 32.46 32.35 3i3u n ARG 39 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3i3u s ASN 40 N -1.16 3.48 -0.20 0.55 4.22 -1.26 -4.45 114.94 116.12 3i3u s ASN 40 Ca 0.00 -2.25 -0.18 0.00 -2.14 0.00 0.00 52.86 48.29 3i3u s ASN 40 Cb 0.00 -0.76 -0.08 0.00 1.28 0.00 0.00 41.25 41.69 3i3u s ASN 40 CO 0.00 -0.31 0.84 0.00 -2.04 0.00 0.00 177.10 175.58 3i3u n ALA 41 N 4.01 0.00 -1.79 3.54 0.00 -1.26 -5.18 120.51 119.84 3i3u n ALA 41 Ca 0.07 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.61 3i3u n ALA 41 Cb 0.37 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 18.98 3i3u n ALA 41 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3i3u n ILE 50 N 2.50 -4.81 -0.91 0.00 5.41 -1.26 -5.26 119.36 115.03 3i3u n ILE 50 Ca 0.21 1.71 -0.33 0.00 1.00 0.00 0.00 62.75 65.34 3i3u n ILE 50 Cb -0.02 -2.46 0.14 0.00 -0.71 0.00 0.00 39.64 36.59 3i3u n ILE 50 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 3i3u n LYS 51 N 0.92 -0.11 -1.41 0.38 4.81 -1.26 -3.04 118.16 118.45 3i3u n LYS 51 Ca 0.00 0.04 -0.13 0.00 -0.87 0.00 0.00 58.31 57.35 3i3u n LYS 51 Cb 0.00 -2.31 -0.06 0.00 0.02 0.00 0.00 35.03 32.68 3i3u n LYS 51 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3i3u n GLY 52 N 0.62 1.36 3.36 3.14 0.00 -1.26 -4.98 105.19 107.43 3i3u n GLY 52 Ca 0.12 -0.40 -0.38 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.50 3.14 -0.91 4.61 0.00 -1.17 -4.21 121.76 120.72 3i3u s ALA 53 Ca 0.00 -1.53 -0.24 0.00 0.00 0.00 0.00 51.96 50.18 3i3u s ALA 53 Cb 0.00 -2.29 0.04 0.00 0.00 0.00 0.00 23.12 20.87 3i3u s ALA 53 CO 0.00 -1.07 1.41 0.42 0.00 0.00 0.00 175.76 176.52 3i3u s ILE 54 N 1.52 3.83 0.92 0.00 1.01 -1.17 -4.78 121.20 122.53 3i3u s ILE 54 Ca 0.02 -0.33 -0.16 0.00 0.00 0.00 0.00 60.65 60.19 3i3u s ILE 54 Cb -0.18 -4.97 -0.10 0.00 0.01 0.00 0.00 42.46 37.22 3i3u s ILE 54 CO 0.04 -1.88 -0.38 0.00 0.00 0.00 0.00 174.94 172.73 3i3u n ALA 55 N 9.23 -4.34 -2.48 9.38 0.00 -1.26 -3.76 120.51 127.28 3i3u n ALA 55 Ca 0.22 -0.58 -0.30 0.00 0.00 0.00 0.00 53.44 52.79 3i3u n ALA 55 Cb 0.50 -1.36 -0.12 0.00 0.00 0.00 0.00 19.45 18.47 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 -2.32 2.01 0.32 0.00 0.02 -1.25 -4.88 135.00 128.90 3i3u s PRO 57 Ca 0.47 -1.03 0.00 0.00 0.02 0.00 0.00 61.00 60.46 3i3u s PRO 57 Cb -0.23 -2.19 0.52 0.00 0.02 0.00 0.00 34.50 32.62 3i3u s PRO 57 CO 0.76 0.52 1.97 0.00 -0.33 0.00 0.00 177.00 179.92 3i3u h ALA 58 N 4.21 1.44 0.00 -1.55 0.00 -1.76 0.21 119.26 121.81 3i3u h ALA 58 Ca -0.48 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.35 3i3u h ALA 58 Cb 1.16 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.67 3i3u h ALA 58 CO 0.48 0.49 0.00 0.36 0.00 0.00 0.00 179.25 180.58 3i3u n LYS 59 N -4.40 0.11 0.00 0.00 2.85 -1.26 -2.40 118.16 113.06 3i3u n LYS 59 Ca 0.07 0.20 0.00 0.00 -1.05 0.00 0.00 58.31 57.54 3i3u n LYS 59 Cb 0.06 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 32.94 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 -1.26 3.35 -0.33 -5.58 8.00 -0.57 -4.79 116.55 115.37 3i3u n ASP 60 Ca 0.03 0.00 0.27 0.00 0.71 0.00 0.00 54.79 55.81 3i3u n ASP 60 Cb 0.05 0.57 0.52 0.00 -0.02 0.00 0.00 41.12 42.24 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 0.34 0.05 0.64 5.85 -0.27 -1.46 115.31 120.46 3i3u h LEU 61 Ca 0.00 0.23 -0.00 0.00 0.84 0.00 0.00 57.88 58.95 3i3u h LEU 61 Cb 0.21 0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.47 3i3u h LEU 61 CO 0.00 -0.31 -0.05 0.00 -0.34 0.00 0.00 178.44 177.74 3i3u h ALA 62 N 1.94 -0.81 -0.66 1.25 0.00 -1.87 -0.95 119.26 118.15 3i3u h ALA 62 Ca 0.78 -0.02 0.19 0.00 0.00 0.00 0.00 54.91 55.87 3i3u h ALA 62 Cb 1.94 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 19.97 3i3u h ALA 62 CO -0.71 -0.81 0.62 1.15 0.00 0.00 0.00 179.25 179.50 3i3u h THR 63 N -0.09 0.37 -0.55 0.00 2.02 -1.65 0.18 112.91 113.18 3i3u h THR 63 Ca -0.01 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 67.06 3i3u h THR 63 Cb 0.08 0.52 -0.07 0.00 -1.74 0.00 0.00 68.15 66.94 3i3u h THR 63 CO -0.00 0.00 0.12 0.54 0.37 0.00 0.00 175.52 176.55 3i3u n ARG 64 N -3.81 3.57 0.00 6.66 1.74 -0.72 -4.49 116.66 119.60 3i3u n ARG 64 Ca 0.13 -3.06 0.12 0.00 -0.77 0.00 0.00 57.85 54.27 3i3u n ARG 64 Cb 0.87 -2.10 0.55 0.00 -1.02 0.00 0.00 32.46 30.76 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 -0.20 0.30 0.09 0.55 3.06 0.63 -3.24 119.36 120.55 3i3u n ILE 65 Ca 0.33 0.07 -0.12 0.00 -2.50 0.00 0.00 62.75 60.53 3i3u n ILE 65 Cb 1.20 -0.66 -0.07 0.00 0.54 0.00 0.00 39.64 40.64 3i3u n ILE 65 CO 0.00 0.00 0.00 1.23 -2.50 0.00 0.00 176.55 175.28 3i3u h GLY 66 N 4.14 0.29 -0.23 4.50 0.00 -1.80 -3.22 103.07 106.76 3i3u h GLY 66 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 47.33 46.74 3i3u h GLY 66 CO 0.00 0.52 0.00 -1.84 0.00 0.00 0.00 176.54 175.22 3i3u n GLU 67 N -3.61 0.87 -3.82 4.80 0.28 -1.20 -4.79 120.64 113.17 3i3u n GLU 67 Ca -0.06 0.00 -0.35 0.00 -0.16 0.00 0.00 57.16 56.59 3i3u n GLU 67 Cb 0.90 -1.10 -0.08 0.00 1.43 0.00 0.00 31.44 32.59 3i3u n GLU 67 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 3i3u s LEU 68 N -0.77 4.10 -0.39 -1.84 1.43 -1.22 -5.06 118.68 114.93 3i3u s LEU 68 Ca 0.00 0.20 -0.24 0.00 -1.03 0.00 0.00 54.13 53.06 3i3u s LEU 68 Cb 0.00 -2.05 0.02 0.00 0.03 0.00 0.00 46.19 44.18 3i3u s LEU 68 CO 0.00 0.19 0.84 -0.62 0.23 0.00 0.00 176.35 177.00 3i3u s ASP 69 N 0.27 6.56 0.62 2.29 2.15 -1.26 -4.91 116.67 122.39 3i3u s ASP 69 Ca 0.07 0.33 0.38 0.00 0.43 0.00 0.00 52.55 53.75 3i3u s ASP 69 Cb -0.11 -2.42 2.07 0.00 -0.30 0.00 0.00 42.92 42.15 3i3u s ASP 69 CO -0.01 -0.84 2.28 1.55 -0.17 0.00 0.00 175.17 177.98 3i3u h PRO 70 N 8.63 0.00 -0.33 4.34 0.13 -1.97 -2.45 132.00 140.35 3i3u h PRO 70 Ca -0.24 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.84 3i3u h PRO 70 Cb 1.09 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.20 3i3u h PRO 70 CO 0.95 0.01 0.02 0.00 -0.23 0.00 0.00 178.00 178.76 3i3u h ALA 71 N 1.99 1.41 -2.53 -0.56 0.00 -2.00 -3.43 119.26 114.14 3i3u h ALA 71 Ca -0.00 -0.18 -0.54 0.00 0.00 0.00 0.00 54.91 54.19 3i3u h ALA 71 Cb 0.09 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 3i3u h ALA 71 CO 0.00 0.42 -0.06 0.15 0.00 0.00 0.00 179.25 179.76 3i3u s LYS 72 N -5.01 3.95 -0.05 0.00 -0.14 -0.92 -5.02 119.74 112.54 3i3u s LYS 72 Ca -0.07 0.48 -0.23 0.00 -1.36 0.00 0.00 55.97 54.78 3i3u s LYS 72 Cb 0.16 -2.78 -0.04 0.00 -1.68 0.00 0.00 37.83 33.48 3i3u s LYS 72 CO 0.76 0.39 0.68 0.99 -0.76 0.00 0.00 175.35 177.41 3i3u s THR 73 N -1.64 5.02 -0.01 2.17 2.01 -0.08 -4.75 115.64 118.37 3i3u s THR 73 Ca 0.43 1.42 -0.14 0.00 0.31 0.00 0.00 61.69 63.70 3i3u s THR 73 Cb -0.13 -4.02 -0.06 0.00 0.01 0.00 0.00 72.50 68.30 3i3u s THR 73 CO 0.20 0.28 0.40 -0.31 -0.69 0.00 0.00 174.62 174.50 3i3u s TYR 74 N 0.63 3.72 -0.12 4.92 2.02 -0.32 -1.34 117.35 126.84 3i3u s TYR 74 Ca 0.36 0.97 0.01 0.00 -0.37 0.00 0.00 57.07 58.05 3i3u s TYR 74 Cb -0.18 -2.28 0.02 0.00 -0.40 0.00 0.00 41.96 39.12 3i3u s TYR 74 CO 0.18 0.63 -0.14 0.08 -1.57 0.00 0.00 175.55 174.73 3i3u s VAL 75 N -1.02 1.51 -0.05 0.71 1.01 -1.01 -0.59 120.40 120.96 3i3u s VAL 75 Ca 0.23 -0.62 0.05 0.00 0.00 0.00 0.00 61.98 61.64 3i3u s VAL 75 Cb -0.16 -1.40 -0.02 0.00 0.00 0.00 0.00 36.38 34.80 3i3u s VAL 75 CO 0.13 0.45 -0.19 0.68 0.00 0.00 0.00 175.10 176.16 3i3u s VAL 76 N 1.22 2.63 0.10 2.92 -7.23 -0.52 0.21 120.40 119.74 3i3u s VAL 76 Ca -0.01 -0.88 0.02 0.00 -1.81 0.00 0.00 61.98 59.30 3i3u s VAL 76 Cb -0.14 -2.00 -0.04 0.00 0.56 0.00 0.00 36.38 34.76 3i3u s VAL 76 CO -0.06 0.58 -0.08 -0.72 -0.31 0.00 0.00 175.10 174.52 3i3u s TYR 77 N -0.54 0.93 0.00 2.82 -0.85 -1.21 -0.84 117.35 117.66 3i3u s TYR 77 Ca 0.07 -0.81 0.00 0.00 -0.52 0.00 0.00 57.07 55.82 3i3u s TYR 77 Cb -0.11 -0.53 0.00 0.00 0.38 0.00 0.00 41.96 41.70 3i3u s TYR 77 CO 0.01 -0.09 0.00 -3.47 -1.52 0.00 0.00 175.55 170.48 3i3u n ASP 78 N 0.22 0.00 0.00 -0.18 -0.08 -1.26 -3.54 116.55 111.71 3i3u n ASP 78 Ca -0.14 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.14 3i3u n ASP 78 Cb 0.60 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.06 3i3u n ASP 78 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 3i3u n THR 83 N 0.00 0.00 0.00 5.18 -2.24 -1.26 -5.07 114.28 110.89 3i3u n THR 83 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3i3u n THR 83 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 3i3u n THR 83 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3i3u n THR 84 N 0.00 0.00 -0.03 4.28 -2.24 -1.26 -4.64 114.28 110.40 3i3u n THR 84 Ca 0.00 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.68 3i3u n THR 84 Cb 0.00 -0.05 -0.04 0.00 -2.10 0.00 0.00 70.33 68.15 3i3u n THR 84 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3i3u h LEU 85 N 0.00 0.02 0.06 3.22 -0.00 -1.99 0.17 115.31 116.78 3i3u h LEU 85 Ca 0.00 0.02 -0.00 0.00 -0.00 0.00 0.00 57.88 57.90 3i3u h LEU 85 Cb 0.27 0.03 0.00 0.00 -0.00 0.00 0.00 40.66 40.96 3i3u h LEU 85 CO 0.00 0.03 -0.03 1.23 -0.00 0.00 0.00 178.44 179.68 3i3u h GLY 86 N 0.10 -0.08 0.52 0.83 0.00 -1.91 -1.91 103.07 100.63 3i3u h GLY 86 Ca 0.07 0.03 0.01 0.00 0.00 0.00 0.00 47.33 47.44 3i3u h GLY 86 CO -0.09 -0.03 -0.32 0.50 0.00 0.00 0.00 176.54 176.60 3i3u h LYS 87 N -0.13 -0.57 -0.22 4.80 6.56 -1.75 0.47 116.57 125.73 3i3u h LYS 87 Ca -0.01 0.04 0.06 0.00 -1.06 0.00 0.00 60.65 59.68 3i3u h LYS 87 Cb 0.11 0.13 -0.07 0.00 -0.57 0.00 0.00 32.23 31.83 3i3u h LYS 87 CO 0.01 -0.38 -0.31 1.15 -2.06 0.00 0.00 179.45 177.86 3i3u h THR 88 N -0.59 0.29 -0.68 -0.16 2.02 -0.63 0.75 112.91 113.90 3i3u h THR 88 Ca 0.01 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.29 3i3u h THR 88 Cb 0.59 0.29 -0.07 0.00 -1.74 0.00 0.00 68.15 67.21 3i3u h THR 88 CO -0.14 0.00 0.31 0.00 0.37 0.00 0.00 175.52 176.06 3i3u h ALA 89 N 0.57 0.92 -0.43 6.16 0.00 -0.93 0.23 119.26 125.78 3i3u h ALA 89 Ca 0.12 0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.11 3i3u h ALA 89 Cb 0.53 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 3i3u h ALA 89 CO -0.41 -0.11 0.27 1.25 0.00 0.00 0.00 179.25 180.25 3i3u h LEU 90 N 0.52 0.44 -1.31 0.00 5.85 0.15 -1.84 115.31 119.13 3i3u h LEU 90 Ca 0.34 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 59.02 3i3u h LEU 90 Cb 0.39 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 3i3u h LEU 90 CO -0.29 0.32 0.13 0.25 -0.34 0.00 0.00 178.44 178.51 3i3u h LEU 91 N 0.54 0.54 0.12 2.25 5.85 0.22 -1.52 115.31 123.31 3i3u h LEU 91 Ca 0.16 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 3i3u h LEU 91 Cb -0.02 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 40.87 3i3u h LEU 91 CO -0.06 0.53 -0.06 0.58 -0.34 0.00 0.00 178.44 179.09 3i3u h VAL 92 N 0.59 1.01 -0.05 1.05 2.07 0.14 -1.49 116.25 119.57 3i3u h VAL 92 Ca 0.14 -0.48 0.03 0.00 0.82 0.00 0.00 66.70 67.21 3i3u h VAL 92 Cb 0.18 1.31 -0.04 0.00 -1.52 0.00 0.00 31.29 31.22 3i3u h VAL 92 CO -0.01 0.12 -0.17 -0.07 0.02 0.00 0.00 177.57 177.45 3i3u h LEU 93 N -0.38 -0.52 -1.27 2.57 3.38 -1.09 -0.44 115.31 117.55 3i3u h LEU 93 Ca -0.02 0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 3i3u h LEU 93 Cb 0.31 0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 3i3u h LEU 93 CO 0.03 -0.23 0.13 -0.07 0.09 0.00 0.00 178.44 178.38 3i3u h LEU 94 N -0.26 0.58 -0.44 1.67 3.38 -1.30 -1.20 115.31 117.73 3i3u h LEU 94 Ca 0.07 -0.08 -0.16 0.00 0.09 0.00 0.00 57.88 57.80 3i3u h LEU 94 Cb 0.36 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3i3u h LEU 94 CO -0.20 0.56 -0.43 0.28 0.09 0.00 0.00 178.44 178.74 3i3u h SER 95 N 0.62 0.89 0.58 -0.43 0.02 -0.94 -2.36 113.55 111.92 3i3u h SER 95 Ca 0.15 -0.42 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 3i3u h SER 95 Cb 0.20 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.49 3i3u h SER 95 CO -0.01 1.19 0.00 0.00 -1.14 0.00 0.00 176.83 176.87 3i3u n ALA 96 N -2.54 1.52 0.00 3.77 0.00 -0.20 -4.85 120.51 118.21 3i3u n ALA 96 Ca -0.03 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.53 3i3u n ALA 96 Cb 0.56 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.63 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 -0.29 0.42 3.73 0.00 0.00 -0.80 -5.08 105.19 103.18 3i3u n GLY 97 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 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 2.38 -0.34 1.61 0.08 -0.52 -4.97 117.98 114.22 3i3u s PHE 98 Ca 0.00 1.39 -0.13 0.00 0.12 0.00 0.00 56.93 58.31 3i3u s PHE 98 Cb 0.00 -3.12 -0.02 0.00 -0.57 0.00 0.00 43.02 39.31 3i3u s PHE 98 CO 0.00 -2.20 0.24 -1.21 -0.10 0.00 0.00 175.22 171.95 3i3u s GLU 99 N -4.91 3.50 0.06 0.44 0.41 -1.26 -4.19 118.70 112.74 3i3u s GLU 99 Ca 0.63 -0.64 -0.03 0.00 -0.41 0.00 0.00 54.97 54.52 3i3u s GLU 99 Cb -0.18 -3.80 -0.03 0.00 -1.78 0.00 0.00 34.13 28.35 3i3u s GLU 99 CO 0.57 -0.44 0.03 0.00 -0.49 0.00 0.00 175.26 174.93 3i3u s ALA 100 N 1.72 0.29 0.15 5.21 0.00 -1.26 -1.18 121.76 126.69 3i3u s ALA 100 Ca 0.06 -1.01 -0.06 0.00 0.00 0.00 0.00 51.96 50.96 3i3u s ALA 100 Cb -0.17 0.31 -0.02 0.00 0.00 0.00 0.00 23.12 23.23 3i3u s ALA 100 CO 0.10 -0.39 0.19 0.71 0.00 0.00 0.00 175.76 176.38 3i3u s TYR 101 N -3.69 0.56 -0.10 0.00 2.02 0.24 -4.96 117.35 111.42 3i3u s TYR 101 Ca 0.05 -0.94 -0.04 0.00 -0.37 0.00 0.00 57.07 55.77 3i3u s TYR 101 Cb 0.06 -0.22 -0.04 0.00 -0.40 0.00 0.00 41.96 41.36 3i3u s TYR 101 CO -0.09 -0.63 0.06 -2.00 -1.57 0.00 0.00 175.55 171.31 3i3u s GLU 102 N -3.99 3.17 -0.31 -0.62 2.12 -0.04 -1.44 118.70 117.59 3i3u s GLU 102 Ca 0.19 -0.29 -0.29 0.00 0.36 0.00 0.00 54.97 54.94 3i3u s GLU 102 Cb 0.05 -2.96 -0.01 0.00 0.26 0.00 0.00 34.13 31.47 3i3u s GLU 102 CO 0.00 0.74 1.62 -1.17 -0.54 0.00 0.00 175.26 175.91 3i3u s LEU 103 N -0.95 3.67 0.00 2.70 2.96 -0.02 -0.94 118.68 126.10 3i3u s LEU 103 Ca 0.14 1.30 0.00 0.00 -0.22 0.00 0.00 54.13 55.35 3i3u s LEU 103 Cb -0.12 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 43.04 3i3u s LEU 103 CO 0.03 -1.46 0.31 0.00 -1.32 0.00 0.00 176.35 173.91