#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fin n GLU 2 N 0.00 0.00 -4.69 2.12 0.28 -1.26 -4.71 120.64 112.38 3fin n GLU 2 Ca 0.00 0.00 -0.33 0.00 -0.16 0.00 0.00 57.16 56.67 3fin n GLU 2 Cb 0.00 0.00 -0.15 0.00 1.43 0.00 0.00 31.44 32.72 3fin n GLU 2 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3fin s ALA 3 N -1.46 2.44 0.46 -1.84 0.00 -1.06 -4.95 121.76 115.35 3fin s ALA 3 Ca 0.00 -1.01 0.06 0.00 0.00 0.00 0.00 51.96 51.01 3fin s ALA 3 Cb 0.00 -1.13 0.02 0.00 0.00 0.00 0.00 23.12 22.00 3fin s ALA 3 CO 0.00 0.06 0.63 0.15 0.00 0.00 0.00 175.76 176.60 3fin s LYS 4 N 0.67 2.75 0.02 0.00 1.02 -1.26 -0.72 119.74 122.21 3fin s LYS 4 Ca -0.08 -1.11 0.00 0.00 0.02 0.00 0.00 55.97 54.79 3fin s LYS 4 Cb -0.16 -2.68 0.00 0.00 -0.52 0.00 0.00 37.83 34.47 3fin s LYS 4 CO 0.02 -0.40 0.00 0.00 -0.92 0.00 0.00 175.35 174.05 3fin n ALA 5 N -1.99 3.00 -2.14 5.17 0.00 -0.76 -4.58 120.51 119.21 3fin n ALA 5 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 3fin n ALA 5 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 3fin n ALA 5 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3fin n ILE 6 N -2.57 -7.62 -3.93 0.00 5.41 -1.22 -4.92 119.36 104.50 3fin n ILE 6 Ca 0.00 1.83 -0.31 0.00 1.00 0.00 0.00 62.75 65.27 3fin n ILE 6 Cb 0.00 -3.95 -0.15 0.00 -0.71 0.00 0.00 39.64 34.83 3fin n ILE 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3fin s ALA 7 N -0.33 2.31 0.64 -1.39 0.00 -0.09 -4.98 121.76 117.92 3fin s ALA 7 Ca 0.00 -2.02 -0.11 0.00 0.00 0.00 0.00 51.96 49.83 3fin s ALA 7 Cb 0.00 -1.74 -0.02 0.00 0.00 0.00 0.00 23.12 21.35 3fin s ALA 7 CO 0.00 -1.56 1.04 1.03 0.00 0.00 0.00 175.76 176.27 3fin s ARG 8 N 1.21 3.35 -1.12 0.00 0.52 -1.26 -2.76 118.95 118.89 3fin s ARG 8 Ca 0.06 0.61 -0.20 0.00 -0.52 0.00 0.00 55.73 55.68 3fin s ARG 8 Cb -0.19 -2.08 -0.01 0.00 0.52 0.00 0.00 34.95 33.19 3fin s ARG 8 CO -0.12 -0.70 0.80 0.66 0.02 0.00 0.00 175.30 175.95 3fin n TYR 9 N -2.80 -1.94 -0.04 -0.53 0.53 -0.97 -4.93 117.16 106.48 3fin n TYR 9 Ca 0.06 0.47 -0.14 0.00 -1.02 0.00 0.00 57.90 57.27 3fin n TYR 9 Cb 0.55 -3.44 -0.12 0.00 -1.03 0.00 0.00 39.34 35.30 3fin n TYR 9 CO 0.00 0.00 0.00 0.28 -1.02 0.00 0.00 176.86 176.12 3fin h VAL 10 N -1.82 1.59 -0.49 -0.72 2.07 -0.44 -3.46 116.25 112.98 3fin h VAL 10 Ca -0.65 -1.87 0.00 0.00 0.82 0.00 0.00 66.70 65.00 3fin h VAL 10 Cb 1.35 2.83 0.00 0.00 -1.52 0.00 0.00 31.29 33.95 3fin h VAL 10 CO 0.47 0.50 0.00 -1.14 0.02 0.00 0.00 177.57 177.42 3fin n ARG 11 N -4.64 0.00 -3.65 1.57 0.00 -1.26 -4.88 116.66 103.81 3fin n ARG 11 Ca -0.09 0.08 -0.04 0.00 -0.00 0.00 0.00 57.85 57.80 3fin n ARG 11 Cb 0.43 -0.25 -0.07 0.00 0.00 0.00 0.00 32.46 32.57 3fin n ARG 11 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.63 176.13 3fin s ILE 12 N -2.15 0.00 0.39 5.15 2.07 -1.24 -4.92 121.20 120.50 3fin s ILE 12 Ca 0.00 0.00 -0.27 0.00 -1.41 0.00 0.00 60.65 58.97 3fin s ILE 12 Cb 0.00 -1.00 -0.10 0.00 0.13 0.00 0.00 42.46 41.49 3fin s ILE 12 CO 0.00 0.00 1.44 -0.55 -1.91 0.00 0.00 174.94 173.92 3fin s SER 13 N 0.41 6.26 0.04 4.50 0.15 -1.26 -3.10 113.70 120.70 3fin s SER 13 Ca 0.02 2.96 -0.13 0.00 0.70 0.00 0.00 55.95 59.49 3fin s SER 13 Cb -0.04 -2.66 -0.06 0.00 -1.71 0.00 0.00 66.02 61.55 3fin s SER 13 CO -0.12 -0.92 1.21 -0.65 1.20 0.00 0.00 173.24 173.97 3fin h PRO 14 N 2.84 -0.29 -0.79 5.44 0.11 -1.92 -1.19 132.00 136.20 3fin h PRO 14 Ca -0.51 0.02 0.24 0.00 0.11 0.00 0.00 66.00 65.86 3fin h PRO 14 Cb 1.25 0.07 -0.15 0.00 0.11 0.00 0.00 31.00 32.28 3fin h PRO 14 CO 0.63 -0.20 0.09 0.54 -0.21 0.00 0.00 178.00 178.86 3fin n ARG 15 N -3.60 -0.06 0.04 1.05 1.74 -1.26 0.24 116.66 114.81 3fin n ARG 15 Ca -0.03 1.16 -0.11 0.00 -0.77 0.00 0.00 57.85 58.10 3fin n ARG 15 Cb 0.16 -1.89 -0.04 0.00 -1.02 0.00 0.00 32.46 29.67 3fin n ARG 15 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 3fin h LYS 16 N 0.00 -0.24 0.05 5.56 1.57 -1.58 -3.19 116.57 118.75 3fin h LYS 16 Ca 0.51 0.02 -0.25 0.00 -1.87 0.00 0.00 60.65 59.06 3fin h LYS 16 Cb 1.13 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.48 3fin h LYS 16 CO -0.72 -0.16 -1.22 -0.39 -0.57 0.00 0.00 179.45 176.40 3fin h VAL 17 N -0.25 1.49 -1.52 0.50 -1.51 0.01 -3.19 116.25 111.78 3fin h VAL 17 Ca 0.06 -3.16 0.48 0.00 -1.23 0.00 0.00 66.70 62.85 3fin h VAL 17 Cb 0.33 2.82 -0.11 0.00 -2.13 0.00 0.00 31.29 32.20 3fin h VAL 17 CO -0.17 0.88 1.02 0.03 -1.23 0.00 0.00 177.57 178.11 3fin h ARG 18 N 0.03 0.03 0.60 5.19 3.08 -0.98 0.29 114.38 122.62 3fin h ARG 18 Ca -0.11 -0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.91 3fin h ARG 18 Cb 1.89 -0.01 0.01 0.00 0.08 0.00 0.00 29.97 31.94 3fin h ARG 18 CO 0.15 0.02 -0.29 -0.07 -1.07 0.00 0.00 179.97 178.72 3fin h LEU 19 N 0.03 -0.68 -0.99 3.04 4.07 -1.60 0.11 115.31 119.29 3fin h LEU 19 Ca 0.86 0.02 0.16 0.00 0.08 0.00 0.00 57.88 59.00 3fin h LEU 19 Cb 2.98 0.18 -0.10 0.00 1.08 0.00 0.00 40.66 44.80 3fin h LEU 19 CO -0.30 -0.47 0.61 -0.37 -1.08 0.00 0.00 178.44 176.82 3fin h VAL 20 N -0.83 0.81 0.47 1.22 -1.51 -0.70 -2.70 116.25 113.01 3fin h VAL 20 Ca -0.08 -0.30 -0.02 0.00 -1.23 0.00 0.00 66.70 65.07 3fin h VAL 20 Cb 0.61 -0.13 -0.01 0.00 -2.13 0.00 0.00 31.29 29.64 3fin h VAL 20 CO 0.13 0.16 -0.29 0.58 -1.23 0.00 0.00 177.57 176.92 3fin h VAL 21 N 0.86 0.40 0.00 7.19 2.07 -0.62 -0.83 116.25 125.32 3fin h VAL 21 Ca 0.54 0.00 0.00 0.00 0.82 0.00 0.00 66.70 68.06 3fin h VAL 21 Cb 0.69 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 3fin h VAL 21 CO -0.33 0.00 0.11 0.47 0.02 0.00 0.00 177.57 177.85 3fin n ASP 22 N -5.43 0.04 0.00 0.57 10.43 0.35 -0.06 116.55 122.45 3fin n ASP 22 Ca -0.11 0.41 0.14 0.00 2.57 0.00 0.00 54.79 57.80 3fin n ASP 22 Cb 0.33 -0.42 0.67 0.00 1.84 0.00 0.00 41.12 43.54 3fin n ASP 22 CO 0.00 0.00 0.00 -0.11 -1.07 0.00 0.00 177.20 176.02 3fin n LEU 23 N -1.46 0.00 0.00 0.64 7.94 -0.32 -3.68 117.00 120.12 3fin n LEU 23 Ca -0.00 0.43 0.00 0.00 -1.11 0.00 0.00 56.01 55.33 3fin n LEU 23 Cb 0.12 -0.43 0.00 0.00 0.53 0.00 0.00 43.42 43.64 3fin n LEU 23 CO 0.01 -0.00 0.07 2.30 -1.11 0.00 0.00 177.39 178.65 3fin n ILE 24 N -1.43 0.00 -1.65 1.96 -6.64 0.92 -5.03 119.36 107.49 3fin n ILE 24 Ca 0.09 -0.20 -0.59 0.00 -1.77 0.00 0.00 62.75 60.28 3fin n ILE 24 Cb 0.31 1.40 -0.08 0.00 -1.44 0.00 0.00 39.64 39.83 3fin n ILE 24 CO 0.00 0.00 0.00 -1.14 -1.77 0.00 0.00 176.55 173.64 3fin n ARG 25 N -0.13 0.65 -3.15 6.28 0.63 -1.03 -2.85 116.66 117.06 3fin n ARG 25 Ca 0.00 0.24 -0.09 0.00 -0.92 0.00 0.00 57.85 57.08 3fin n ARG 25 Cb 0.10 -1.83 0.01 0.00 0.45 0.00 0.00 32.46 31.19 3fin n ARG 25 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3fin n GLY 26 N 3.21 -1.17 3.40 5.14 0.00 -0.78 -5.02 105.19 109.96 3fin n GLY 26 Ca 0.24 0.75 -0.10 0.00 0.00 0.00 0.00 46.02 46.92 3fin n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fin s LYS 27 N -3.14 1.21 0.26 1.61 1.02 -1.13 -4.85 119.74 114.71 3fin s LYS 27 Ca 0.10 -0.93 -0.31 0.00 0.02 0.00 0.00 55.97 54.84 3fin s LYS 27 Cb -0.02 0.45 -0.12 0.00 -0.52 0.00 0.00 37.83 37.62 3fin s LYS 27 CO 0.79 -0.48 1.58 -1.13 -0.92 0.00 0.00 175.35 175.19 3fin n SER 28 N -0.26 3.59 -0.25 2.83 3.41 -1.26 0.25 113.62 121.94 3fin n SER 28 Ca -0.11 1.13 0.00 0.00 -0.26 0.00 0.00 58.87 59.63 3fin n SER 28 Cb 0.63 -1.54 0.12 0.00 -0.26 0.00 0.00 64.21 63.16 3fin n SER 28 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3fin h LEU 29 N 5.09 0.53 -0.93 1.04 5.85 -1.77 -0.71 115.31 124.41 3fin h LEU 29 Ca -0.46 0.05 0.19 0.00 0.84 0.00 0.00 57.88 58.50 3fin h LEU 29 Cb 1.23 -0.05 -0.11 0.00 0.37 0.00 0.00 40.66 42.10 3fin h LEU 29 CO 0.82 0.32 0.50 -0.08 -0.34 0.00 0.00 178.44 179.66 3fin h GLU 30 N 0.66 0.60 0.06 1.25 4.81 -1.88 -2.34 114.58 117.75 3fin h GLU 30 Ca 0.34 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.53 3fin h GLU 30 Cb 0.29 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.53 3fin h GLU 30 CO -0.23 0.40 -0.03 1.49 -0.73 0.00 0.00 179.01 179.91 3fin h GLU 31 N 0.62 -0.08 -0.90 1.92 4.81 -1.54 -3.31 114.58 116.11 3fin h GLU 31 Ca 0.54 0.01 0.24 0.00 -0.13 0.00 0.00 59.36 60.02 3fin h GLU 31 Cb 0.88 0.02 -0.15 0.00 0.63 0.00 0.00 28.75 30.13 3fin h GLU 31 CO -0.42 0.38 0.14 0.00 -0.73 0.00 0.00 179.01 178.38 3fin h ALA 32 N -0.49 1.19 -0.16 2.92 0.00 -1.14 0.22 119.26 121.80 3fin h ALA 32 Ca -0.01 0.27 0.03 0.00 0.00 0.00 0.00 54.91 55.19 3fin h ALA 32 Cb 0.49 0.43 -0.05 0.00 0.00 0.00 0.00 17.79 18.65 3fin h ALA 32 CO 0.01 -0.51 -0.40 0.00 0.00 0.00 0.00 179.25 178.35 3fin h ARG 33 N 0.12 -0.37 -0.02 0.00 3.08 -1.52 0.47 114.38 116.13 3fin h ARG 33 Ca 0.55 0.03 0.03 0.00 0.07 0.00 0.00 59.98 60.66 3fin h ARG 33 Cb 1.13 0.08 -0.06 0.00 0.08 0.00 0.00 29.97 31.21 3fin h ARG 33 CO -0.75 -0.25 -0.41 -0.91 -1.07 0.00 0.00 179.97 176.59 3fin h ASN 34 N -0.39 -1.24 0.00 7.04 4.21 -0.76 0.79 115.58 125.22 3fin h ASN 34 Ca 0.03 0.15 0.00 0.00 1.21 0.00 0.00 56.30 57.70 3fin h ASN 34 Cb 0.48 0.49 0.00 0.00 -1.12 0.00 0.00 38.32 38.17 3fin h ASN 34 CO -0.36 -0.45 0.00 -0.38 -1.29 0.00 0.00 177.43 174.96 3fin n ILE 35 N -5.44 0.00 -0.35 2.81 5.41 0.04 0.25 119.36 122.08 3fin n ILE 35 Ca -0.05 1.00 0.27 0.00 1.00 0.00 0.00 62.75 64.97 3fin n ILE 35 Cb 0.36 -1.48 0.53 0.00 -0.71 0.00 0.00 39.64 38.35 3fin n ILE 35 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 3fin h LEU 36 N 0.00 0.43 -2.00 1.39 3.38 -0.83 1.11 115.31 118.80 3fin h LEU 36 Ca 0.00 0.19 0.26 0.00 0.09 0.00 0.00 57.88 58.42 3fin h LEU 36 Cb 0.00 0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 3fin h LEU 36 CO 0.00 -0.19 0.66 -0.09 0.09 0.00 0.00 178.44 178.91 3fin h ARG 37 N 0.23 0.00 0.00 1.13 9.65 0.23 -2.04 114.38 123.58 3fin h ARG 37 Ca 0.76 0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 59.60 3fin h ARG 37 Cb 1.92 0.00 -0.09 0.00 -1.39 0.00 0.00 29.97 30.41 3fin h ARG 37 CO -0.59 0.00 -0.49 0.66 2.80 0.00 0.00 179.97 182.35 3fin n TYR 38 N -4.25 0.00 -3.46 2.20 4.01 0.38 -5.00 117.16 111.04 3fin n TYR 38 Ca 0.19 -0.83 -0.39 0.00 -0.16 0.00 0.00 57.90 56.72 3fin n TYR 38 Cb 0.98 -0.16 -0.10 0.00 -0.31 0.00 0.00 39.34 39.76 3fin n TYR 38 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 3fin s THR 39 N -1.73 5.22 -0.86 -0.72 2.01 -0.73 -5.01 115.64 113.81 3fin s THR 39 Ca 0.28 0.44 -0.23 0.00 0.31 0.00 0.00 61.69 62.49 3fin s THR 39 Cb 0.27 -3.64 0.07 0.00 0.01 0.00 0.00 72.50 69.21 3fin s THR 39 CO -0.05 0.19 1.24 0.21 -0.69 0.00 0.00 174.62 175.52 3fin s ASN 40 N 1.66 6.39 0.22 3.53 2.47 -1.26 -4.78 114.94 123.16 3fin s ASN 40 Ca 0.12 -1.26 -0.22 0.00 0.42 0.00 0.00 52.86 51.93 3fin s ASN 40 Cb -0.16 -2.50 0.06 0.00 -1.45 0.00 0.00 41.25 37.20 3fin s ASN 40 CO 0.10 -1.47 0.94 -0.54 -3.72 0.00 0.00 177.10 172.40 3fin s LYS 41 N 4.47 1.49 -0.13 0.43 -0.14 -1.26 -5.06 119.74 119.54 3fin s LYS 41 Ca 0.36 -0.91 0.12 0.00 -1.36 0.00 0.00 55.97 54.18 3fin s LYS 41 Cb -0.06 0.45 -0.24 0.00 -1.68 0.00 0.00 37.83 36.30 3fin s LYS 41 CO -0.00 -0.69 0.32 -2.13 -0.76 0.00 0.00 175.35 172.08 3fin n ARG 42 N -0.57 0.67 -0.34 1.68 0.63 -1.26 -3.98 116.66 113.49 3fin n ARG 42 Ca -0.05 0.16 0.18 0.00 -0.92 0.00 0.00 57.85 57.22 3fin n ARG 42 Cb 0.60 -1.65 0.40 0.00 0.45 0.00 0.00 32.46 32.26 3fin n ARG 42 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 3fin h GLY 43 N 3.33 1.74 0.00 5.14 0.00 -1.94 -2.85 103.07 108.49 3fin h GLY 43 Ca -0.43 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 46.60 3fin h GLY 43 CO 0.05 -0.19 0.00 0.00 0.00 0.00 0.00 176.54 176.40 3fin n ALA 44 N -2.35 0.00 -0.35 3.60 0.00 -1.26 0.46 120.51 120.62 3fin n ALA 44 Ca 0.26 0.00 0.35 0.00 0.00 0.00 0.00 53.44 54.05 3fin n ALA 44 Cb 0.74 0.23 0.56 0.00 0.00 0.00 0.00 19.45 20.99 3fin n ALA 44 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 3fin h TYR 45 N 0.00 0.00 0.00 0.00 3.20 -1.75 1.39 116.97 119.81 3fin h TYR 45 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3fin h TYR 45 Cb 0.00 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.27 3fin h TYR 45 CO -0.10 0.00 -0.24 0.74 -1.64 0.00 0.00 178.16 176.92 3fin h PHE 46 N 0.00 0.00 -0.42 -3.82 0.04 -0.04 -3.26 116.94 109.44 3fin h PHE 46 Ca 0.61 0.00 0.12 0.00 2.80 0.00 0.00 57.97 61.51 3fin h PHE 46 Cb 3.10 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 41.23 3fin h PHE 46 CO 0.00 0.00 0.37 0.28 -0.60 0.00 0.00 178.31 178.36 3fin h VAL 47 N -0.60 0.56 0.00 -0.55 2.07 0.46 -2.46 116.25 115.73 3fin h VAL 47 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3fin h VAL 47 Cb 0.24 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 30.73 3fin h VAL 47 CO 0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.59 3fin n ALA 48 N -2.48 0.00 -0.02 1.67 0.00 0.47 -1.44 120.51 118.71 3fin n ALA 48 Ca 0.07 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.51 3fin n ALA 48 Cb 0.56 0.02 -0.01 0.00 0.00 0.00 0.00 19.45 20.02 3fin n ALA 48 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3fin n LYS 49 N -0.18 -0.03 -0.02 0.00 4.81 -1.02 -0.54 118.16 121.18 3fin n LYS 49 Ca 0.00 0.18 -0.03 0.00 -0.87 0.00 0.00 58.31 57.60 3fin n LYS 49 Cb 0.00 -0.27 -0.02 0.00 0.02 0.00 0.00 35.03 34.76 3fin n LYS 49 CO 0.00 0.00 0.00 -0.24 1.17 0.00 0.00 177.40 178.33 3fin h VAL 50 N 0.00 0.00 -1.20 3.15 3.04 -1.48 0.98 116.25 120.74 3fin h VAL 50 Ca 0.01 0.00 0.37 0.00 -1.01 0.00 0.00 66.70 66.07 3fin h VAL 50 Cb 0.02 0.00 -0.12 0.00 -2.01 0.00 0.00 31.29 29.19 3fin h VAL 50 CO -0.05 0.00 0.77 0.25 -1.01 0.00 0.00 177.57 177.52 3fin h LEU 51 N -0.08 0.32 -0.70 3.16 7.12 0.37 1.18 115.31 126.68 3fin h LEU 51 Ca 0.01 0.12 -0.06 0.00 0.13 0.00 0.00 57.88 58.08 3fin h LEU 51 Cb 0.11 0.09 -0.03 0.00 -0.53 0.00 0.00 40.66 40.31 3fin h LEU 51 CO -0.10 -0.10 0.19 -0.08 -0.13 0.00 0.00 178.44 178.22 3fin h GLU 52 N 0.19 1.10 -0.24 1.25 4.57 0.87 -2.76 114.58 119.56 3fin h GLU 52 Ca 0.74 -0.25 -0.16 0.00 -1.18 0.00 0.00 59.36 58.51 3fin h GLU 52 Cb 2.17 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 30.61 3fin h GLU 52 CO -0.40 0.97 -0.47 1.03 -1.18 0.00 0.00 179.01 178.96 3fin h SER 53 N 1.04 0.83 -0.92 1.04 0.87 0.30 -2.49 113.55 114.21 3fin h SER 53 Ca 0.22 -0.54 0.21 0.00 -1.23 0.00 0.00 61.79 60.45 3fin h SER 53 Cb 0.34 -0.24 -0.12 0.00 -0.44 0.00 0.00 62.40 61.94 3fin h SER 53 CO -0.00 1.22 0.47 0.00 -0.53 0.00 0.00 176.83 177.98 3fin h ALA 54 N 0.64 1.51 0.05 6.23 0.00 -1.05 0.17 119.26 126.82 3fin h ALA 54 Ca 0.01 0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 3fin h ALA 54 Cb 1.08 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 3fin h ALA 54 CO 0.11 -0.26 -0.06 0.00 0.00 0.00 0.00 179.25 179.04 3fin h ALA 55 N 1.69 -0.79 -0.62 0.00 0.00 -1.19 0.14 119.26 118.49 3fin h ALA 55 Ca 0.57 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.46 3fin h ALA 55 Cb 1.02 0.31 0.00 0.00 0.00 0.00 0.00 17.79 19.12 3fin h ALA 55 CO -0.48 -0.79 0.00 0.00 0.00 0.00 0.00 179.25 177.98 3fin n ALA 56 N -2.32 0.00 -0.27 0.00 0.00 0.34 0.17 120.51 118.43 3fin n ALA 56 Ca -0.01 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.36 3fin n ALA 56 Cb 0.05 0.29 -0.06 0.00 0.00 0.00 0.00 19.45 19.73 3fin n ALA 56 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3fin n ASN 57 N -2.13 -0.67 -0.26 0.00 5.03 0.30 0.68 115.26 118.21 3fin n ASN 57 Ca 0.00 1.32 0.10 0.00 0.87 0.00 0.00 54.58 56.87 3fin n ASN 57 Cb 0.00 -0.24 0.21 0.00 -1.02 0.00 0.00 39.78 38.72 3fin n ASN 57 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3fin n ALA 58 N -3.25 0.36 -1.02 5.41 0.00 0.13 0.08 120.51 122.21 3fin n ALA 58 Ca 0.01 0.79 0.00 0.00 0.00 0.00 0.00 53.44 54.25 3fin n ALA 58 Cb 0.17 -0.57 0.00 0.00 0.00 0.00 0.00 19.45 19.05 3fin n ALA 58 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3fin n VAL 59 N -5.04 0.00 -0.12 0.00 0.31 0.21 -2.13 118.33 111.57 3fin n VAL 59 Ca 0.17 0.00 0.09 0.00 -0.01 0.00 0.00 64.34 64.59 3fin n VAL 59 Cb 0.55 -0.01 0.17 0.00 -0.91 0.00 0.00 33.84 33.64 3fin n VAL 59 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 3fin n ASN 60 N 0.00 0.06 -0.11 4.52 2.85 -0.71 -0.92 115.26 120.96 3fin n ASN 60 Ca 0.00 0.60 -0.13 0.00 -0.11 0.00 0.00 54.58 54.94 3fin n ASN 60 Cb 0.00 -0.26 -0.13 0.00 1.24 0.00 0.00 39.78 40.62 3fin n ASN 60 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 3fin n ASN 61 N -3.99 1.17 -0.28 1.20 5.03 0.11 -4.67 115.26 113.83 3fin n ASN 61 Ca 0.12 -0.06 0.08 0.00 0.87 0.00 0.00 54.58 55.58 3fin n ASN 61 Cb 0.39 0.31 0.14 0.00 -1.02 0.00 0.00 39.78 39.60 3fin n ASN 61 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 3fin n HIS 62 N -2.96 0.24 -2.98 3.10 8.25 -0.66 -5.02 115.22 115.19 3fin n HIS 62 Ca -0.37 -0.86 -0.23 0.00 -0.26 0.00 0.00 57.72 56.00 3fin n HIS 62 Cb 1.04 -0.16 0.02 0.00 1.12 0.00 0.00 29.99 32.01 3fin n HIS 62 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 3fin n ASP 63 N -0.95 -3.51 -0.00 0.41 5.75 -0.10 -4.87 116.55 113.28 3fin n ASP 63 Ca 0.14 -0.34 0.04 0.00 -0.01 0.00 0.00 54.79 54.62 3fin n ASP 63 Cb 0.62 -1.08 -0.06 0.00 -1.03 0.00 0.00 41.12 39.58 3fin n ASP 63 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 3fin n MET 64 N -0.86 0.29 -1.80 0.11 2.81 -0.90 -5.00 117.12 111.76 3fin n MET 64 Ca -0.13 -0.06 -0.02 0.00 -1.81 0.00 0.00 57.70 55.68 3fin n MET 64 Cb 0.47 -1.17 -0.01 0.00 -0.71 0.00 0.00 33.22 31.80 3fin n MET 64 CO 0.00 0.00 0.00 -0.11 1.51 0.00 0.00 175.97 177.37 3fin n LEU 65 N -1.74 -3.32 0.00 4.03 0.00 -1.26 -4.71 117.00 110.00 3fin n LEU 65 Ca -0.01 0.75 0.00 0.00 0.00 0.00 0.00 56.01 56.75 3fin n LEU 65 Cb 0.19 -1.72 0.00 0.00 0.00 0.00 0.00 43.42 41.88 3fin n LEU 65 CO 0.15 -1.25 0.24 1.21 0.00 0.00 0.00 177.39 177.74 3fin n GLU 66 N 0.54 0.00 -0.46 1.96 2.13 -1.26 -1.26 120.64 122.29 3fin n GLU 66 Ca -0.12 0.49 0.38 0.00 0.66 0.00 0.00 57.16 58.56 3fin n GLU 66 Cb 0.19 -0.73 0.62 0.00 0.27 0.00 0.00 31.44 31.79 3fin n GLU 66 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 3fin n ASP 67 N -2.46 0.14 -0.15 4.31 8.00 -1.26 -0.39 116.55 124.74 3fin n ASP 67 Ca 0.00 1.12 0.12 0.00 0.71 0.00 0.00 54.79 56.74 3fin n ASP 67 Cb 0.00 -0.55 0.22 0.00 -0.02 0.00 0.00 41.12 40.77 3fin n ASP 67 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3fin n ARG 68 N -4.26 0.47 -3.30 -1.24 1.74 -0.39 -4.97 116.66 104.71 3fin n ARG 68 Ca 0.36 -0.31 -0.26 0.00 -0.77 0.00 0.00 57.85 56.87 3fin n ARG 68 Cb 1.45 -1.49 -0.02 0.00 -1.02 0.00 0.00 32.46 31.38 3fin n ARG 68 CO 0.00 0.00 0.00 -0.48 -1.52 0.00 0.00 177.63 175.63 3fin s LEU 69 N -2.74 4.00 0.00 0.55 0.05 0.48 0.96 118.68 121.97 3fin s LEU 69 Ca 0.17 0.58 0.00 0.00 0.05 0.00 0.00 54.13 54.93 3fin s LEU 69 Cb 0.18 -3.44 0.00 0.00 -2.05 0.00 0.00 46.19 40.88 3fin s LEU 69 CO 0.64 -0.28 0.00 0.00 -0.55 0.00 0.00 176.35 176.16 3fin n TYR 70 N -1.51 0.00 -3.51 3.48 -0.00 0.00 -2.60 117.16 113.03 3fin n TYR 70 Ca -0.03 0.00 -0.41 0.00 -0.00 0.00 0.00 57.90 57.46 3fin n TYR 70 Cb 0.55 0.00 -0.04 0.00 -0.00 0.00 0.00 39.34 39.85 3fin n TYR 70 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.86 176.94 3fin s VAL 71 N 0.33 4.96 0.19 -3.48 1.01 0.14 -2.79 120.40 120.76 3fin s VAL 71 Ca 0.00 -3.31 -0.20 0.00 0.00 0.00 0.00 61.98 58.47 3fin s VAL 71 Cb 0.00 -4.06 0.14 0.00 0.00 0.00 0.00 36.38 32.46 3fin s VAL 71 CO 0.00 -1.07 1.59 0.50 0.00 0.00 0.00 175.10 176.12 3fin h LYS 72 N 6.72 -0.14 -2.29 2.72 1.63 -1.34 -2.09 116.57 121.79 3fin h LYS 72 Ca 0.12 0.01 0.16 0.00 -0.85 0.00 0.00 60.65 60.09 3fin h LYS 72 Cb 0.90 0.03 -0.11 0.00 -0.60 0.00 0.00 32.23 32.45 3fin h LYS 72 CO 0.85 -0.09 0.50 0.00 -3.45 0.00 0.00 179.45 177.26 3fin s ALA 73 N -6.02 -1.74 -0.06 5.00 0.00 -0.84 -4.56 121.76 113.54 3fin s ALA 73 Ca -0.14 0.50 -0.29 0.00 0.00 0.00 0.00 51.96 52.02 3fin s ALA 73 Cb 0.16 0.54 0.11 0.00 0.00 0.00 0.00 23.12 23.93 3fin s ALA 73 CO 0.70 -0.90 0.89 0.00 0.00 0.00 0.00 175.76 176.44 3fin s ALA 74 N -3.19 -1.85 0.07 0.00 0.00 -1.26 -0.32 121.76 115.21 3fin s ALA 74 Ca 0.09 1.26 -0.27 0.00 0.00 0.00 0.00 51.96 53.04 3fin s ALA 74 Cb -0.01 -0.06 0.09 0.00 0.00 0.00 0.00 23.12 23.14 3fin s ALA 74 CO -0.02 -0.50 1.14 1.52 0.00 0.00 0.00 175.76 177.90 3fin s TYR 75 N -2.08 -0.04 0.00 0.00 1.13 -0.49 -4.99 117.35 110.88 3fin s TYR 75 Ca -0.00 -0.18 0.00 0.00 -1.41 0.00 0.00 57.07 55.48 3fin s TYR 75 Cb -0.01 0.61 -0.00 0.00 -1.10 0.00 0.00 41.96 41.46 3fin s TYR 75 CO -0.02 -0.57 -0.01 0.54 -2.51 0.00 0.00 175.55 172.98 3fin s VAL 76 N -2.60 0.10 0.17 -3.49 0.11 -1.26 -1.25 120.40 112.18 3fin s VAL 76 Ca 0.17 -0.09 0.11 0.00 -2.93 0.00 0.00 61.98 59.24 3fin s VAL 76 Cb 0.01 -0.10 -0.04 0.00 -1.53 0.00 0.00 36.38 34.72 3fin s VAL 76 CO 0.00 0.00 -0.25 -1.81 -3.33 0.00 0.00 175.10 169.72 3fin s ASP 77 N -0.10 3.41 0.41 3.54 1.01 -0.51 -4.93 116.67 119.51 3fin s ASP 77 Ca -0.00 -0.82 -0.26 0.00 0.71 0.00 0.00 52.55 52.18 3fin s ASP 77 Cb -0.01 -0.25 -0.09 0.00 1.01 0.00 0.00 42.92 43.58 3fin s ASP 77 CO -0.00 0.14 1.31 -0.70 0.21 0.00 0.00 175.17 176.13 3fin s GLU 78 N -2.47 3.95 0.30 8.23 2.56 -1.26 0.04 118.70 130.05 3fin s GLU 78 Ca 0.19 2.16 0.02 0.00 0.00 0.00 0.00 54.97 57.34 3fin s GLU 78 Cb -0.09 -2.75 0.02 0.00 2.00 0.00 0.00 34.13 33.31 3fin s GLU 78 CO 0.09 -0.51 0.15 0.41 -0.56 0.00 0.00 175.26 174.84 3fin n GLY 79 N 0.66 3.23 3.67 -1.50 0.00 0.12 -4.73 105.19 106.64 3fin n GLY 79 Ca 0.04 -2.26 -0.43 0.00 0.00 0.00 0.00 46.02 43.37 3fin n GLY 79 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3fin s PRO 80 N -3.18 4.26 0.47 1.61 0.04 -1.26 -4.53 135.00 132.40 3fin s PRO 80 Ca 0.11 1.63 -0.20 0.00 0.04 0.00 0.00 61.00 62.59 3fin s PRO 80 Cb -0.01 -3.71 -0.09 0.00 0.04 0.00 0.00 34.50 30.73 3fin s PRO 80 CO 0.07 -0.64 0.99 0.00 0.04 0.00 0.00 177.00 177.46 3fin s ALA 81 N 3.18 2.98 -0.37 8.56 0.00 -1.26 -4.61 121.76 130.24 3fin s ALA 81 Ca 0.54 0.42 -0.13 0.00 0.00 0.00 0.00 51.96 52.79 3fin s ALA 81 Cb -0.22 -3.18 0.00 0.00 0.00 0.00 0.00 23.12 19.73 3fin s ALA 81 CO 0.15 -0.10 0.25 -0.51 0.00 0.00 0.00 175.76 175.55 3fin s LEU 82 N -3.49 4.71 0.24 0.00 1.02 -0.29 -4.94 118.68 115.93 3fin s LEU 82 Ca 0.63 -0.69 -0.27 0.00 0.02 0.00 0.00 54.13 53.82 3fin s LEU 82 Cb -0.11 -2.11 -0.09 0.00 0.02 0.00 0.00 46.19 43.89 3fin s LEU 82 CO 0.19 -0.33 0.89 -0.54 0.02 0.00 0.00 176.35 176.59 3fin s LYS 83 N 1.67 4.70 0.01 1.70 1.02 -1.26 -0.40 119.74 127.17 3fin s LYS 83 Ca 0.05 1.34 -0.01 0.00 0.02 0.00 0.00 55.97 57.36 3fin s LYS 83 Cb -0.18 -3.14 -0.01 0.00 -0.52 0.00 0.00 37.83 33.97 3fin s LYS 83 CO 0.09 0.47 0.02 1.03 -0.92 0.00 0.00 175.35 176.04 3fin s ARG 84 N -1.42 0.25 0.06 1.68 1.81 0.11 -4.94 118.95 116.51 3fin s ARG 84 Ca 0.42 -0.38 -0.20 0.00 -1.72 0.00 0.00 55.73 53.85 3fin s ARG 84 Cb -0.23 0.10 -0.06 0.00 -0.45 0.00 0.00 34.95 34.30 3fin s ARG 84 CO 0.28 -0.05 0.59 0.08 -0.68 0.00 0.00 175.30 175.52 3fin s VAL 85 N -1.00 4.76 -0.25 3.52 1.01 -1.26 0.16 120.40 127.34 3fin s VAL 85 Ca -0.11 1.25 0.02 0.00 0.00 0.00 0.00 61.98 63.14 3fin s VAL 85 Cb -0.07 -3.92 0.06 0.00 0.00 0.00 0.00 36.38 32.46 3fin s VAL 85 CO -0.00 0.52 -0.08 -0.22 0.00 0.00 0.00 175.10 175.32 3fin s LEU 86 N -0.91 3.16 -0.15 3.92 2.96 0.27 -4.87 118.68 123.06 3fin s LEU 86 Ca 0.30 -1.35 -0.34 0.00 -0.22 0.00 0.00 54.13 52.52 3fin s LEU 86 Cb -0.19 -1.41 -0.11 0.00 0.50 0.00 0.00 46.19 44.98 3fin s LEU 86 CO 0.19 -0.22 1.97 -2.65 -1.32 0.00 0.00 176.35 174.32 3fin n PRO 87 N 4.52 1.95 -4.10 0.98 -0.02 -1.26 -0.88 135.00 136.19 3fin n PRO 87 Ca -0.13 0.68 -0.28 0.00 -2.02 0.00 0.00 63.50 61.76 3fin n PRO 87 Cb 0.43 -2.67 -0.06 0.00 -0.02 0.00 0.00 33.50 31.17 3fin n PRO 87 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 3fin s ARG 88 N 4.69 2.78 0.26 -0.52 6.06 -1.26 -4.78 118.95 126.18 3fin s ARG 88 Ca 0.97 -0.86 -0.30 0.00 -2.50 0.00 0.00 55.73 53.03 3fin s ARG 88 Cb -0.69 -2.61 -0.14 0.00 0.06 0.00 0.00 34.95 31.58 3fin s ARG 88 CO 0.50 0.51 1.28 0.00 -2.50 0.00 0.00 175.30 175.08 3fin n ALA 89 N -0.02 0.64 -2.74 6.12 0.00 -1.26 -1.90 120.51 121.35 3fin n ALA 89 Ca -0.09 0.40 -0.11 0.00 0.00 0.00 0.00 53.44 53.64 3fin n ALA 89 Cb 0.54 -2.19 0.02 0.00 0.00 0.00 0.00 19.45 17.82 3fin n ALA 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3fin n ARG 90 N 1.44 -2.85 -3.96 0.00 1.74 -1.26 -3.55 116.66 108.23 3fin n ARG 90 Ca 0.10 0.44 -0.29 0.00 -0.77 0.00 0.00 57.85 57.34 3fin n ARG 90 Cb 0.31 -4.32 0.00 0.00 -1.02 0.00 0.00 32.46 27.44 3fin n ARG 90 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3fin n GLY 91 N -1.16 -0.38 0.10 -0.13 0.00 -0.80 -4.92 105.19 97.89 3fin n GLY 91 Ca -0.04 0.16 -0.18 0.00 0.00 0.00 0.00 46.02 45.96 3fin n GLY 91 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3fin h ARG 92 N -1.86 0.16 -4.47 1.61 2.43 -1.43 -3.47 114.38 107.35 3fin h ARG 92 Ca -0.60 -0.27 0.00 0.00 -0.81 0.00 0.00 59.98 58.30 3fin h ARG 92 Cb 1.37 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 31.02 3fin h ARG 92 CO 0.67 1.13 -0.94 0.00 -1.51 0.00 0.00 179.97 179.31 3fin n ALA 93 N -2.69 -1.94 -2.51 2.80 0.00 -1.25 -4.81 120.51 110.11 3fin n ALA 93 Ca -0.14 0.47 -0.24 0.00 0.00 0.00 0.00 53.44 53.53 3fin n ALA 93 Cb 0.68 -1.44 -0.11 0.00 0.00 0.00 0.00 19.45 18.58 3fin n ALA 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3fin s ASP 94 N -0.52 3.19 -0.36 0.00 -0.00 -0.06 -4.86 116.67 114.06 3fin s ASP 94 Ca 0.00 -1.27 -0.07 0.00 -0.00 0.00 0.00 52.55 51.20 3fin s ASP 94 Cb 0.00 -0.25 0.05 0.00 -0.00 0.00 0.00 42.92 42.72 3fin s ASP 94 CO 0.00 -0.39 0.15 0.27 -0.00 0.00 0.00 175.17 175.20 3fin s ILE 95 N -2.90 3.95 0.15 0.77 -4.36 -1.26 0.96 121.20 118.51 3fin s ILE 95 Ca 0.33 -1.18 -0.22 0.00 -0.26 0.00 0.00 60.65 59.32 3fin s ILE 95 Cb 0.06 -3.28 -0.08 0.00 1.25 0.00 0.00 42.46 40.41 3fin s ILE 95 CO 0.15 -0.26 0.71 -0.51 0.24 0.00 0.00 174.94 175.27 3fin s ILE 96 N 1.42 4.51 -0.46 8.37 2.07 0.43 -4.77 121.20 132.77 3fin s ILE 96 Ca -0.00 1.47 -0.09 0.00 -1.41 0.00 0.00 60.65 60.63 3fin s ILE 96 Cb -0.20 -4.01 0.11 0.00 0.13 0.00 0.00 42.46 38.49 3fin s ILE 96 CO 0.03 0.46 0.32 -0.54 -1.91 0.00 0.00 174.94 173.31 3fin s LYS 97 N -1.32 2.46 -0.74 3.50 1.02 -1.26 0.07 119.74 123.47 3fin s LYS 97 Ca 0.35 -1.72 -0.26 0.00 0.02 0.00 0.00 55.97 54.36 3fin s LYS 97 Cb -0.21 -3.88 -0.02 0.00 -0.52 0.00 0.00 37.83 33.20 3fin s LYS 97 CO 0.23 -1.15 1.81 0.15 -0.92 0.00 0.00 175.35 175.46 3fin s LYS 98 N 1.36 2.72 1.06 1.68 -0.14 0.46 -4.86 119.74 122.00 3fin s LYS 98 Ca 0.05 0.15 -0.13 0.00 -1.36 0.00 0.00 55.97 54.69 3fin s LYS 98 Cb -0.26 -4.63 0.22 0.00 -1.68 0.00 0.00 37.83 31.48 3fin s LYS 98 CO -0.01 -2.84 1.08 1.03 -0.76 0.00 0.00 175.35 173.85 3fin s ARG 99 N 6.78 -0.04 0.00 1.68 1.81 -1.26 -1.13 118.95 126.79 3fin s ARG 99 Ca 0.64 0.55 -0.07 0.00 -1.72 0.00 0.00 55.73 55.12 3fin s ARG 99 Cb -0.10 -1.68 0.00 0.00 -0.45 0.00 0.00 34.95 32.73 3fin s ARG 99 CO 0.12 -3.05 0.14 -0.08 -0.68 0.00 0.00 175.30 171.74 3fin s THR 100 N -2.85 0.08 0.18 0.02 -1.32 -1.26 -3.70 115.64 106.80 3fin s THR 100 Ca 0.66 -0.68 0.10 0.00 -1.21 0.00 0.00 61.69 60.56 3fin s THR 100 Cb -0.20 -0.43 -0.04 0.00 -1.51 0.00 0.00 72.50 70.32 3fin s THR 100 CO 0.59 -0.37 -0.21 -0.44 -2.21 0.00 0.00 174.62 171.98 3fin s SER 101 N -1.36 3.04 -0.55 8.08 0.01 -1.18 0.15 113.70 121.89 3fin s SER 101 Ca -0.14 -0.87 0.02 0.00 1.31 0.00 0.00 55.95 56.26 3fin s SER 101 Cb -0.07 -0.20 0.14 0.00 0.21 0.00 0.00 66.02 66.09 3fin s SER 101 CO 0.02 0.03 0.32 -1.00 0.41 0.00 0.00 173.24 173.01 3fin s HIS 102 N -1.93 3.28 -0.34 2.43 3.76 0.11 0.23 115.29 122.83 3fin s HIS 102 Ca 0.19 -3.01 -0.25 0.00 -0.15 0.00 0.00 55.06 51.84 3fin s HIS 102 Cb -0.07 -2.96 0.01 0.00 1.11 0.00 0.00 32.58 30.67 3fin s HIS 102 CO 0.08 -0.78 0.85 0.42 -0.85 0.00 0.00 174.74 174.46 3fin s ILE 103 N -0.18 4.70 -0.07 0.60 1.01 -1.11 -1.42 121.20 124.73 3fin s ILE 103 Ca 0.17 1.15 0.01 0.00 0.00 0.00 0.00 60.65 61.99 3fin s ILE 103 Cb -0.24 -4.24 -0.03 0.00 0.01 0.00 0.00 42.46 37.97 3fin s ILE 103 CO -0.01 -0.40 -0.09 -0.89 0.00 0.00 0.00 174.94 173.55 3fin s THR 104 N 3.20 3.53 -0.07 2.92 2.01 -0.38 -0.91 115.64 125.94 3fin s THR 104 Ca 0.35 -0.54 -0.03 0.00 0.31 0.00 0.00 61.69 61.78 3fin s THR 104 Cb -0.13 -2.43 0.04 0.00 0.01 0.00 0.00 72.50 69.98 3fin s THR 104 CO 0.16 0.59 0.15 -0.69 -0.69 0.00 0.00 174.62 174.14 3fin s VAL 105 N -0.72 -0.07 -0.19 3.82 1.01 -1.26 -1.40 120.40 121.58 3fin s VAL 105 Ca 0.11 0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.29 3fin s VAL 105 Cb -0.11 -0.25 0.05 0.00 0.00 0.00 0.00 36.38 36.06 3fin s VAL 105 CO 0.01 0.08 -0.07 0.27 0.00 0.00 0.00 175.10 175.40 3fin s ILE 106 N 1.29 1.36 1.01 2.22 -4.36 0.56 -1.84 121.20 121.44 3fin s ILE 106 Ca -0.08 -0.89 -0.15 0.00 -0.26 0.00 0.00 60.65 59.26 3fin s ILE 106 Cb -0.12 -1.54 0.20 0.00 1.25 0.00 0.00 42.46 42.25 3fin s ILE 106 CO -0.06 0.07 1.18 -0.76 0.24 0.00 0.00 174.94 175.61 3fin s LEU 107 N 1.51 1.80 0.11 0.37 1.02 0.10 -1.14 118.68 122.45 3fin s LEU 107 Ca -0.02 0.68 -0.26 0.00 0.02 0.00 0.00 54.13 54.56 3fin s LEU 107 Cb -0.16 -2.75 0.07 0.00 0.02 0.00 0.00 46.19 43.37 3fin s LEU 107 CO -0.08 -3.08 0.88 -0.83 0.02 0.00 0.00 176.35 173.26 3fin s GLY 108 N -4.21 -0.33 0.02 -3.19 0.00 -1.12 -2.57 107.32 95.91 3fin s GLY 108 Ca 0.69 0.41 -0.19 0.00 0.00 0.00 0.00 44.72 45.63 3fin s GLY 108 CO 0.54 0.12 0.56 -0.54 0.00 0.00 0.00 173.10 173.78 3fin s GLU 109 N -3.34 4.23 0.00 2.90 2.02 -1.26 -0.82 118.70 122.43 3fin s GLU 109 Ca 0.09 0.69 0.00 0.00 0.02 0.00 0.00 54.97 55.76 3fin s GLU 109 Cb -0.02 -3.29 0.00 0.00 0.10 0.00 0.00 34.13 30.92 3fin s GLU 109 CO -0.03 0.50 0.40 1.17 0.02 0.00 0.00 175.26 177.33 3fin n LYS 110 N 2.27 0.00 -4.02 1.61 3.00 0.27 -4.90 118.16 116.39 3fin n LYS 110 Ca -0.09 0.38 -0.14 0.00 -0.00 0.00 0.00 58.31 58.46 3fin n LYS 110 Cb 0.51 -1.11 -0.02 0.00 0.00 0.00 0.00 35.03 34.41 3fin n LYS 110 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.40 174.02 3fin s HIS 111 N -1.57 0.91 -0.32 5.64 -3.43 -1.26 -5.12 115.29 110.14 3fin s HIS 111 Ca 0.00 -1.24 -0.10 0.00 -0.80 0.00 0.00 55.06 52.92 3fin s HIS 111 Cb 0.00 0.13 0.20 0.00 -1.43 0.00 0.00 32.58 31.48 3fin s HIS 111 CO 0.00 -1.28 1.11 0.20 -2.00 0.00 0.00 174.74 172.77 3fin s GLY 112 N -3.22 -1.71 0.00 -1.38 0.00 -1.26 -5.07 107.32 94.67 3fin s GLY 112 Ca 0.27 1.18 0.17 0.00 0.00 0.00 0.00 44.72 46.35 3fin s GLY 112 CO 0.20 4.39 1.05 0.28 0.00 0.00 0.00 173.10 179.01