#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fin n ALA 4 N 0.00 1.71 0.15 6.98 0.00 -1.26 -4.75 120.51 123.34 3fin n ALA 4 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 3fin n ALA 4 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 3fin n ALA 4 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3fin n TYR 5 N -1.24 0.00 0.11 0.00 0.53 -1.26 -4.60 117.16 110.70 3fin n TYR 5 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.88 3fin n TYR 5 Cb 0.00 -0.10 0.00 0.00 -1.03 0.00 0.00 39.34 38.21 3fin n TYR 5 CO 0.00 0.00 0.00 -0.25 -1.02 0.00 0.00 176.86 175.59 3fin n ASP 6 N -1.51 0.23 -0.07 7.72 8.00 -1.26 -2.51 116.55 127.15 3fin n ASP 6 Ca -0.00 -0.22 -0.11 0.00 0.71 0.00 0.00 54.79 55.17 3fin n ASP 6 Cb 0.16 -0.06 -0.04 0.00 -0.02 0.00 0.00 41.12 41.17 3fin n ASP 6 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3fin n VAL 7 N 0.71 1.35 -2.60 2.53 0.31 -1.26 -4.70 118.33 114.66 3fin n VAL 7 Ca 0.00 0.07 -0.40 0.00 -0.01 0.00 0.00 64.34 64.00 3fin n VAL 7 Cb 0.04 -2.05 -0.05 0.00 -0.91 0.00 0.00 33.84 30.88 3fin n VAL 7 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3fin s ILE 8 N -2.59 3.87 0.01 2.52 1.09 -1.04 -2.04 121.20 123.03 3fin s ILE 8 Ca -0.23 1.77 -0.03 0.00 -1.10 0.00 0.00 60.65 61.05 3fin s ILE 8 Cb 0.05 -4.13 -0.01 0.00 -1.06 0.00 0.00 42.46 37.31 3fin s ILE 8 CO 0.33 0.37 -0.06 0.18 -0.10 0.00 0.00 174.94 175.66 3fin n LEU 9 N 1.77 0.84 -3.83 2.97 4.77 0.54 -4.96 117.00 119.10 3fin n LEU 9 Ca 0.00 0.12 -0.12 0.00 -0.03 0.00 0.00 56.01 55.98 3fin n LEU 9 Cb 0.46 -0.34 -0.09 0.00 -2.33 0.00 0.00 43.42 41.12 3fin n LEU 9 CO 0.52 -0.58 -0.09 0.00 -1.33 0.00 0.00 177.39 175.92 3fin s ALA 10 N -2.27 -0.49 0.52 -1.18 0.00 -1.19 -4.96 121.76 112.18 3fin s ALA 10 Ca -0.05 0.00 -0.20 0.00 0.00 0.00 0.00 51.96 51.72 3fin s ALA 10 Cb 0.01 0.13 -0.07 0.00 0.00 0.00 0.00 23.12 23.18 3fin s ALA 10 CO 0.08 -0.25 1.07 -2.14 0.00 0.00 0.00 175.76 174.52 3fin s PRO 11 N -1.54 3.60 0.20 0.00 0.02 -1.26 -0.03 135.00 135.99 3fin s PRO 11 Ca -0.13 1.43 -0.10 0.00 0.02 0.00 0.00 61.00 62.22 3fin s PRO 11 Cb -0.06 -2.06 -0.07 0.00 0.02 0.00 0.00 34.50 32.33 3fin s PRO 11 CO 0.02 -0.61 0.53 0.54 -0.33 0.00 0.00 177.00 177.15 3fin s VAL 12 N -1.96 4.94 -0.36 3.83 0.11 -0.82 -4.73 120.40 121.41 3fin s VAL 12 Ca 0.69 0.52 0.00 0.00 -2.93 0.00 0.00 61.98 60.26 3fin s VAL 12 Cb -0.19 -3.64 0.12 0.00 -1.53 0.00 0.00 36.38 31.14 3fin s VAL 12 CO 0.24 0.03 0.17 -0.76 -3.33 0.00 0.00 175.10 171.45 3fin s LEU 13 N -2.56 2.08 0.04 2.54 1.43 -1.26 -4.81 118.68 116.14 3fin s LEU 13 Ca 0.44 -2.08 -0.09 0.00 -1.03 0.00 0.00 54.13 51.36 3fin s LEU 13 Cb -0.12 -0.81 0.00 0.00 0.03 0.00 0.00 46.19 45.29 3fin s LEU 13 CO 0.21 -0.34 0.19 -0.94 0.23 0.00 0.00 176.35 175.69 3fin s SER 14 N 1.08 0.04 0.21 2.29 1.04 -1.26 -4.95 113.70 112.15 3fin s SER 14 Ca 0.14 -0.38 -0.20 0.00 0.48 0.00 0.00 55.95 55.98 3fin s SER 14 Cb -0.21 0.29 0.16 0.00 0.10 0.00 0.00 66.02 66.36 3fin s SER 14 CO -0.12 -0.56 1.56 -0.33 0.98 0.00 0.00 173.24 174.77 3fin h GLU 15 N 3.44 -0.05 -1.00 4.02 3.07 -1.99 1.59 114.58 123.67 3fin h GLU 15 Ca -0.32 0.00 0.17 0.00 -0.50 0.00 0.00 59.36 58.71 3fin h GLU 15 Cb 1.19 0.01 -0.10 0.00 -0.84 0.00 0.00 28.75 29.01 3fin h GLU 15 CO 0.48 -0.03 0.62 -0.22 -1.40 0.00 0.00 179.01 178.46 3fin h LYS 16 N -0.05 0.81 0.77 2.33 3.64 -1.99 0.36 116.57 122.44 3fin h LYS 16 Ca 0.29 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.59 3fin h LYS 16 Cb 0.56 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 3fin h LYS 16 CO -0.90 0.54 -0.49 0.00 -2.27 0.00 0.00 179.45 176.32 3fin h ALA 17 N 1.61 -1.27 -0.21 5.00 0.00 0.19 -3.04 119.26 121.55 3fin h ALA 17 Ca 0.55 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3fin h ALA 17 Cb 0.77 0.62 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 3fin h ALA 17 CO -0.34 -1.23 0.14 1.88 0.00 0.00 0.00 179.25 179.70 3fin h TYR 18 N -1.18 0.27 -1.22 0.00 0.05 -0.22 -2.17 116.97 112.50 3fin h TYR 18 Ca -0.10 0.00 0.45 0.00 0.05 0.00 0.00 58.73 59.14 3fin h TYR 18 Cb 0.95 -0.09 -0.16 0.00 1.01 0.00 0.00 36.73 38.45 3fin h TYR 18 CO -0.12 0.18 0.74 0.00 -1.05 0.00 0.00 178.16 177.91 3fin n ALA 19 N -2.16 1.22 -0.27 3.88 0.00 0.12 0.53 120.51 123.84 3fin n ALA 19 Ca -0.03 0.94 0.01 0.00 0.00 0.00 0.00 53.44 54.35 3fin n ALA 19 Cb 0.03 -1.05 0.13 0.00 0.00 0.00 0.00 19.45 18.57 3fin n ALA 19 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3fin h GLY 20 N 0.00 1.15 -0.90 0.00 0.00 -1.27 -2.91 103.07 99.14 3fin h GLY 20 Ca 0.87 -0.30 0.36 0.00 0.00 0.00 0.00 47.33 48.26 3fin h GLY 20 CO -0.60 0.16 0.42 0.69 0.00 0.00 0.00 176.54 177.22 3fin n PHE 21 N -4.74 0.99 -0.16 5.60 3.01 0.19 -1.43 117.46 120.90 3fin n PHE 21 Ca 0.11 1.06 -0.03 0.00 1.01 0.00 0.00 57.45 59.61 3fin n PHE 21 Cb 0.21 -1.43 -0.02 0.00 -0.01 0.00 0.00 39.48 38.24 3fin n PHE 21 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3fin n ALA 22 N -2.45 -0.17 -2.00 4.37 0.00 -1.10 -4.53 120.51 114.63 3fin n ALA 22 Ca 0.32 0.36 0.00 0.00 0.00 0.00 0.00 53.44 54.12 3fin n ALA 22 Cb 1.10 -0.10 0.00 0.00 0.00 0.00 0.00 19.45 20.44 3fin n ALA 22 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3fin n GLU 23 N -4.53 0.00 -1.69 0.00 4.07 -0.52 -5.04 120.64 112.93 3fin n GLU 23 Ca 0.02 0.00 -0.52 0.00 -0.06 0.00 0.00 57.16 56.60 3fin n GLU 23 Cb 0.13 0.00 -0.06 0.00 -0.06 0.00 0.00 31.44 31.45 3fin n GLU 23 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3fin n GLY 24 N 2.41 1.23 2.22 8.31 0.00 -1.25 -4.87 105.19 113.23 3fin n GLY 24 Ca 0.00 0.89 -0.02 0.00 0.00 0.00 0.00 46.02 46.89 3fin n GLY 24 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3fin n LYS 25 N 6.24 1.53 -2.95 1.61 3.00 -1.01 -4.14 118.16 122.44 3fin n LYS 25 Ca 0.24 -0.09 -0.19 0.00 -0.00 0.00 0.00 58.31 58.28 3fin n LYS 25 Cb 0.23 -0.85 0.06 0.00 0.00 0.00 0.00 35.03 34.47 3fin n LYS 25 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.40 179.88 3fin n TYR 26 N -2.98 -2.24 -4.06 5.64 4.11 -1.26 -4.60 117.16 111.76 3fin n TYR 26 Ca 0.01 -2.06 -0.24 0.00 -0.00 0.00 0.00 57.90 55.61 3fin n TYR 26 Cb 0.04 -0.53 -0.04 0.00 -0.00 0.00 0.00 39.34 38.80 3fin n TYR 26 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 176.86 176.78 3fin s THR 27 N -2.50 4.69 0.12 -3.48 -1.32 -1.26 -3.33 115.64 108.57 3fin s THR 27 Ca 0.58 -1.15 0.07 0.00 -1.21 0.00 0.00 61.69 59.97 3fin s THR 27 Cb -0.05 -3.48 -0.04 0.00 -1.51 0.00 0.00 72.50 67.43 3fin s THR 27 CO 0.37 -0.24 -0.17 -0.36 -2.21 0.00 0.00 174.62 172.01 3fin s PHE 28 N -1.94 1.56 -0.09 9.09 0.40 -1.26 -1.95 117.98 123.78 3fin s PHE 28 Ca 0.33 -0.49 -0.30 0.00 -0.60 0.00 0.00 56.93 55.87 3fin s PHE 28 Cb -0.09 -0.82 -0.04 0.00 0.51 0.00 0.00 43.02 42.58 3fin s PHE 28 CO 0.25 0.19 1.48 -1.58 0.70 0.00 0.00 175.22 176.26 3fin s TRP 29 N -1.76 2.41 0.00 0.36 0.52 0.96 -2.93 118.94 118.50 3fin s TRP 29 Ca 0.08 0.57 0.00 0.00 0.02 0.00 0.00 56.10 56.78 3fin s TRP 29 Cb -0.07 -3.73 0.00 0.00 -1.15 0.00 0.00 33.47 28.52 3fin s TRP 29 CO 0.04 -2.87 0.00 0.28 0.02 0.00 0.00 176.95 174.42 3fin n VAL 30 N 5.35 0.00 -3.18 4.03 0.31 -1.11 -0.34 118.33 123.39 3fin n VAL 30 Ca 0.16 0.00 -0.39 0.00 -0.01 0.00 0.00 64.34 64.10 3fin n VAL 30 Cb 0.44 -1.09 -0.05 0.00 -0.91 0.00 0.00 33.84 32.22 3fin n VAL 30 CO 0.00 0.00 0.00 -2.28 -1.32 0.00 0.00 176.83 173.23 3fin s HIS 31 N 1.32 3.58 0.02 3.52 2.46 -0.86 -4.47 115.29 120.85 3fin s HIS 31 Ca 0.00 1.11 -0.04 0.00 0.47 0.00 0.00 55.06 56.60 3fin s HIS 31 Cb 0.00 -2.66 -0.01 0.00 -0.13 0.00 0.00 32.58 29.78 3fin s HIS 31 CO 0.00 0.19 0.88 -0.35 -2.47 0.00 0.00 174.74 172.99 3fin n PRO 32 N 3.44 -0.06 -0.40 2.88 -0.04 -1.26 -3.53 135.00 136.03 3fin n PRO 32 Ca -0.05 0.88 0.00 0.00 -0.04 0.00 0.00 63.50 64.29 3fin n PRO 32 Cb 0.51 -1.31 0.00 0.00 -0.04 0.00 0.00 33.50 32.66 3fin n PRO 32 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 3fin n LYS 33 N -3.16 1.46 -0.29 0.54 0.00 -1.26 -3.97 118.16 111.47 3fin n LYS 33 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 3fin n LYS 33 Cb 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.06 3fin n LYS 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3fin n ALA 34 N -3.00 0.00 0.15 0.58 0.00 -1.26 -4.58 120.51 112.40 3fin n ALA 34 Ca 0.00 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.63 3fin n ALA 34 Cb 0.00 -0.52 0.76 0.00 0.00 0.00 0.00 19.45 19.69 3fin n ALA 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fin h THR 35 N 0.00 0.29 0.00 0.00 1.03 -1.68 -3.46 112.91 109.09 3fin h THR 35 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.40 3fin h THR 35 Cb 0.13 0.65 0.00 0.00 -1.07 0.00 0.00 68.15 67.87 3fin h THR 35 CO 0.00 0.00 0.00 2.29 -0.01 0.00 0.00 175.52 177.80 3fin n LYS 36 N -3.52 0.00 0.26 0.00 -0.00 -1.26 -4.39 118.16 109.25 3fin n LYS 36 Ca 0.05 0.00 0.03 0.00 -0.00 0.00 0.00 58.31 58.39 3fin n LYS 36 Cb 0.56 0.00 0.17 0.00 -0.00 0.00 0.00 35.03 35.76 3fin n LYS 36 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.40 178.55 3fin h THR 37 N 0.00 0.00 0.00 0.58 2.02 -1.97 0.26 112.91 113.80 3fin h THR 37 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3fin h THR 37 Cb 0.00 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 66.55 3fin h THR 37 CO 0.00 0.00 0.00 -0.62 0.37 0.00 0.00 175.52 175.27 3fin n GLU 38 N -2.28 0.55 -0.32 6.66 -0.58 -1.26 -3.52 120.64 119.89 3fin n GLU 38 Ca -0.00 0.00 0.01 0.00 -0.42 0.00 0.00 57.16 56.74 3fin n GLU 38 Cb 0.75 -1.24 0.12 0.00 -0.57 0.00 0.00 31.44 30.49 3fin n GLU 38 CO 0.00 0.00 0.00 0.44 -0.48 0.00 0.00 177.13 177.09 3fin n ILE 39 N 0.53 1.06 -0.03 -3.67 -5.35 0.92 -3.89 119.36 108.93 3fin n ILE 39 Ca 0.00 -0.50 -0.01 0.00 -0.27 0.00 0.00 62.75 61.98 3fin n ILE 39 Cb 0.22 -0.49 -0.00 0.00 -1.74 0.00 0.00 39.64 37.63 3fin n ILE 39 CO 0.00 0.00 0.00 0.07 -1.76 0.00 0.00 176.55 174.86 3fin h LYS 40 N 1.17 0.00 -2.71 6.28 5.09 -1.84 -2.69 116.57 121.87 3fin h LYS 40 Ca 0.04 0.00 -0.15 0.00 0.09 0.00 0.00 60.65 60.62 3fin h LYS 40 Cb 1.10 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 33.41 3fin h LYS 40 CO 0.20 0.00 0.59 0.27 -2.09 0.00 0.00 179.45 178.42 3fin n ASN 41 N -3.64 3.10 0.00 7.07 0.23 -1.25 -0.98 115.26 119.78 3fin n ASN 41 Ca -0.01 -2.07 0.00 0.00 -0.53 0.00 0.00 54.58 51.97 3fin n ASN 41 Cb 0.03 -0.80 0.00 0.00 -2.08 0.00 0.00 39.78 36.93 3fin n ASN 41 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3fin n ALA 42 N 3.09 2.61 0.03 -2.53 0.00 -1.21 -4.81 120.51 117.69 3fin n ALA 42 Ca 0.26 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.66 3fin n ALA 42 Cb 0.39 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.75 3fin n ALA 42 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 3fin h VAL 43 N 0.00 0.90 -0.00 0.00 3.04 -0.70 -3.28 116.25 116.21 3fin h VAL 43 Ca 0.00 -2.54 0.00 0.00 -1.01 0.00 0.00 66.70 63.15 3fin h VAL 43 Cb 0.00 2.37 0.00 0.00 -2.01 0.00 0.00 31.29 31.65 3fin h VAL 43 CO 0.00 0.51 -0.00 -1.84 -1.01 0.00 0.00 177.57 175.23 3fin n GLU 44 N -3.08 0.91 -0.11 4.17 0.28 -0.87 -0.92 120.64 121.02 3fin n GLU 44 Ca -0.09 -0.04 0.07 0.00 -0.16 0.00 0.00 57.16 56.94 3fin n GLU 44 Cb 0.92 -1.50 0.13 0.00 1.43 0.00 0.00 31.44 32.42 3fin n GLU 44 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 3fin n THR 45 N -1.01 0.49 0.00 3.84 -2.24 -1.24 -3.32 114.28 110.81 3fin n THR 45 Ca 0.22 -0.74 0.00 0.00 -2.27 0.00 0.00 64.05 61.25 3fin n THR 45 Cb 0.15 0.92 0.00 0.00 -2.10 0.00 0.00 70.33 69.30 3fin n THR 45 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3fin n ALA 46 N 0.85 1.99 -0.36 6.98 0.00 -0.86 -4.71 120.51 124.41 3fin n ALA 46 Ca 0.12 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.62 3fin n ALA 46 Cb 0.43 0.44 0.17 0.00 0.00 0.00 0.00 19.45 20.48 3fin n ALA 46 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3fin n PHE 47 N -2.37 0.54 -3.31 0.00 3.01 -0.10 -5.04 117.46 110.20 3fin n PHE 47 Ca 0.00 -0.59 -0.23 0.00 1.01 0.00 0.00 57.45 57.64 3fin n PHE 47 Cb 0.47 -0.10 0.02 0.00 -0.01 0.00 0.00 39.48 39.87 3fin n PHE 47 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 3fin n LYS 48 N 0.19 -1.22 -2.14 -1.08 5.02 -1.21 -4.99 118.16 112.74 3fin n LYS 48 Ca 0.13 1.12 -0.04 0.00 -2.02 0.00 0.00 58.31 57.50 3fin n LYS 48 Cb 0.52 -1.53 0.01 0.00 -0.02 0.00 0.00 35.03 34.01 3fin n LYS 48 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 3fin n VAL 49 N 0.40 0.00 -3.91 -0.18 0.24 -1.21 -5.04 118.33 108.63 3fin n VAL 49 Ca -0.05 -0.43 -0.35 0.00 -2.04 0.00 0.00 64.34 61.46 3fin n VAL 49 Cb 0.60 0.39 -0.14 0.00 -1.47 0.00 0.00 33.84 33.21 3fin n VAL 49 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 3fin s LYS 50 N -2.08 3.05 -0.23 7.34 2.20 -1.26 -4.68 119.74 124.07 3fin s LYS 50 Ca 0.07 -0.85 -0.14 0.00 -0.36 0.00 0.00 55.97 54.70 3fin s LYS 50 Cb -0.02 -3.05 -0.04 0.00 -1.51 0.00 0.00 37.83 33.21 3fin s LYS 50 CO 0.05 -0.34 0.30 0.08 -0.36 0.00 0.00 175.35 175.08 3fin s VAL 51 N 1.40 5.26 -2.19 4.02 1.01 -1.26 0.33 120.40 128.98 3fin s VAL 51 Ca 0.02 0.47 0.20 0.00 0.00 0.00 0.00 61.98 62.67 3fin s VAL 51 Cb -0.16 -3.63 0.09 0.00 0.00 0.00 0.00 36.38 32.68 3fin s VAL 51 CO -0.03 0.27 1.06 0.52 0.00 0.00 0.00 175.10 176.92 3fin n VAL 52 N 4.49 0.00 -3.61 2.92 0.31 -1.26 -4.82 118.33 116.36 3fin n VAL 52 Ca -0.11 -0.42 -0.08 0.00 -0.01 0.00 0.00 64.34 63.73 3fin n VAL 52 Cb 0.51 1.34 -0.06 0.00 -0.91 0.00 0.00 33.84 34.73 3fin n VAL 52 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 3fin s LYS 53 N -1.87 0.41 0.04 5.55 2.20 -1.26 -4.98 119.74 119.83 3fin s LYS 53 Ca 0.20 0.20 0.02 0.00 -0.36 0.00 0.00 55.97 56.03 3fin s LYS 53 Cb 0.16 0.20 -0.02 0.00 -1.51 0.00 0.00 37.83 36.65 3fin s LYS 53 CO 0.35 -0.11 -0.07 0.08 -0.36 0.00 0.00 175.35 175.24 3fin s VAL 54 N -0.69 0.47 0.07 4.02 1.01 -1.26 -0.43 120.40 123.58 3fin s VAL 54 Ca 0.02 -1.10 -0.00 0.00 0.00 0.00 0.00 61.98 60.90 3fin s VAL 54 Cb -0.02 -0.61 -0.04 0.00 0.00 0.00 0.00 36.38 35.71 3fin s VAL 54 CO -0.04 -0.43 -0.04 0.20 0.00 0.00 0.00 175.10 174.79 3fin s ASN 55 N -1.65 0.64 0.05 3.32 0.01 -1.12 -5.05 114.94 111.15 3fin s ASN 55 Ca -0.10 -1.01 -0.11 0.00 -0.71 0.00 0.00 52.86 50.93 3fin s ASN 55 Cb -0.09 0.18 0.01 0.00 0.41 0.00 0.00 41.25 41.76 3fin s ASN 55 CO -0.00 -0.57 0.24 0.42 -1.51 0.00 0.00 177.10 175.67 3fin s THR 56 N -3.85 0.10 0.00 1.60 -4.23 -1.26 -4.06 115.64 103.94 3fin s THR 56 Ca 0.09 -0.84 0.00 0.00 -1.18 0.00 0.00 61.69 59.76 3fin s THR 56 Cb 0.07 -0.96 0.00 0.00 1.34 0.00 0.00 72.50 72.95 3fin s THR 56 CO -0.08 -0.46 0.00 0.18 -0.54 0.00 0.00 174.62 173.71 3fin n LEU 57 N 0.57 0.00 0.00 4.79 4.32 0.18 -4.92 117.00 121.94 3fin n LEU 57 Ca -0.18 0.00 -0.03 0.00 -0.02 0.00 0.00 56.01 55.77 3fin n LEU 57 Cb 0.59 0.00 0.01 0.00 -1.62 0.00 0.00 43.42 42.40 3fin n LEU 57 CO 0.22 0.00 0.19 1.41 -1.22 0.00 0.00 177.39 177.99 3fin n HIS 58 N 0.00 -1.49 0.00 -1.77 8.25 -1.25 -3.68 115.22 115.28 3fin n HIS 58 Ca 0.00 -0.67 0.00 0.00 -0.26 0.00 0.00 57.72 56.79 3fin n HIS 58 Cb 0.00 0.33 0.00 0.00 1.12 0.00 0.00 29.99 31.44 3fin n HIS 58 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 3fin n VAL 59 N -0.19 0.00 -0.92 1.59 0.24 -1.15 -4.87 118.33 113.03 3fin n VAL 59 Ca -0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.27 3fin n VAL 59 Cb 0.21 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.58 3fin n VAL 59 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3fin n ARG 60 N 0.00 0.00 0.00 7.34 5.12 -1.26 -4.69 116.66 123.17 3fin n ARG 60 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 3fin n ARG 60 Cb 0.00 -0.31 0.00 0.00 -1.16 0.00 0.00 32.46 30.99 3fin n ARG 60 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3fin n GLY 61 N 1.11 1.32 3.90 -0.13 0.00 -1.26 -4.79 105.19 105.35 3fin n GLY 61 Ca 0.00 -1.91 -0.24 0.00 0.00 0.00 0.00 46.02 43.87 3fin n GLY 61 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fin s LYS 62 N 2.39 2.34 -0.15 1.61 1.02 -1.26 0.38 119.74 126.07 3fin s LYS 62 Ca 0.00 -1.82 -0.26 0.00 0.02 0.00 0.00 55.97 53.91 3fin s LYS 62 Cb 0.00 -2.23 0.06 0.00 -0.52 0.00 0.00 37.83 35.14 3fin s LYS 62 CO 0.00 -0.48 0.64 0.15 -0.92 0.00 0.00 175.35 174.75 3fin s LYS 63 N -4.25 0.89 0.46 1.68 1.02 -1.26 -4.69 119.74 113.58 3fin s LYS 63 Ca 0.42 0.56 0.07 0.00 0.02 0.00 0.00 55.97 57.03 3fin s LYS 63 Cb -0.02 0.42 0.02 0.00 -0.52 0.00 0.00 37.83 37.73 3fin s LYS 63 CO 0.25 -0.20 0.63 0.21 -0.92 0.00 0.00 175.35 175.32 3fin s LYS 64 N -0.43 2.72 0.00 1.68 2.20 -1.26 -3.34 119.74 121.32 3fin s LYS 64 Ca -0.06 -1.16 0.00 0.00 -0.36 0.00 0.00 55.97 54.39 3fin s LYS 64 Cb -0.03 -2.69 0.00 0.00 -1.51 0.00 0.00 37.83 33.60 3fin s LYS 64 CO 0.05 -0.41 0.00 -2.13 -0.36 0.00 0.00 175.35 172.50 3fin n ARG 65 N -1.99 0.00 0.00 4.03 0.00 -1.26 -4.80 116.66 112.63 3fin n ARG 65 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.93 3fin n ARG 65 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.05 3fin n ARG 65 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 3fin n LEU 66 N 0.00 0.00 0.00 6.15 0.00 -1.26 -4.72 117.00 117.17 3fin n LEU 66 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.01 3fin n LEU 66 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.42 3fin n LEU 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 177.39 178.00 3fin n GLY 67 N -0.58 4.06 0.00 -3.96 0.00 -1.26 -5.19 105.19 98.26 3fin n GLY 67 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.66 3fin n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3fin n ARG 68 N 0.00 0.00 -2.42 1.61 1.85 -1.21 -4.67 116.66 111.81 3fin n ARG 68 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 57.85 56.84 3fin n ARG 68 Cb 0.00 0.00 -0.01 0.00 -1.05 0.00 0.00 32.46 31.40 3fin n ARG 68 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 3fin n TYR 69 N 0.00 -1.54 -3.59 2.89 4.02 -1.26 -4.53 117.16 113.14 3fin n TYR 69 Ca 0.00 0.91 -0.20 0.00 -0.01 0.00 0.00 57.90 58.60 3fin n TYR 69 Cb 0.00 -1.94 -0.01 0.00 -0.02 0.00 0.00 39.34 37.37 3fin n TYR 69 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 3fin s LEU 70 N -0.20 3.88 0.00 7.72 2.96 0.16 -4.79 118.68 128.40 3fin s LEU 70 Ca -0.04 -0.26 0.00 0.00 -0.22 0.00 0.00 54.13 53.61 3fin s LEU 70 Cb 0.00 -2.60 0.00 0.00 0.50 0.00 0.00 46.19 44.09 3fin s LEU 70 CO 0.10 -0.39 0.00 0.61 -1.32 0.00 0.00 176.35 175.34 3fin n GLY 71 N -1.55 0.60 0.00 7.98 0.00 -1.26 -4.52 105.19 106.43 3fin n GLY 71 Ca -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.95 3fin n GLY 71 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3fin n LYS 72 N 4.90 0.00 -2.21 1.61 2.85 -1.26 -5.02 118.16 119.03 3fin n LYS 72 Ca 0.00 0.00 -0.02 0.00 -1.05 0.00 0.00 58.31 57.24 3fin n LYS 72 Cb 0.00 0.00 0.05 0.00 -0.65 0.00 0.00 35.03 34.43 3fin n LYS 72 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 177.40 180.24 3fin n ARG 73 N 0.00 1.00 -0.55 -1.58 1.85 -1.26 -4.15 116.66 111.96 3fin n ARG 73 Ca 0.00 -1.89 -0.21 0.00 -1.00 0.00 0.00 57.85 54.75 3fin n ARG 73 Cb 0.00 -0.16 -0.03 0.00 -1.05 0.00 0.00 32.46 31.22 3fin n ARG 73 CO 0.00 0.00 0.00 -0.35 -0.01 0.00 0.00 177.63 177.27 3fin n PRO 74 N -0.70 0.00 -2.55 2.89 -0.04 -1.26 -3.05 135.00 130.29 3fin n PRO 74 Ca -0.10 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.06 3fin n PRO 74 Cb 0.86 -0.53 -0.02 0.00 -0.04 0.00 0.00 33.50 33.77 3fin n PRO 74 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3fin s ASP 75 N 0.16 6.42 -0.24 3.54 -1.08 -1.26 -2.93 116.67 121.28 3fin s ASP 75 Ca 0.33 1.21 -0.28 0.00 -0.52 0.00 0.00 52.55 53.29 3fin s ASP 75 Cb -0.46 -2.36 0.16 0.00 -1.46 0.00 0.00 42.92 38.79 3fin s ASP 75 CO 0.22 -0.56 1.19 0.00 0.52 0.00 0.00 175.17 176.54 3fin s ARG 76 N -4.35 0.33 0.00 4.34 1.04 -1.24 -2.75 118.95 116.32 3fin s ARG 76 Ca 0.52 0.19 0.00 0.00 -1.04 0.00 0.00 55.73 55.40 3fin s ARG 76 Cb -0.10 0.16 0.00 0.00 -2.04 0.00 0.00 34.95 32.96 3fin s ARG 76 CO 0.39 -0.08 0.00 1.63 -0.04 0.00 0.00 175.30 177.20 3fin n LYS 77 N 1.14 0.00 -1.51 3.89 5.02 -1.15 -0.65 118.16 124.90 3fin n LYS 77 Ca -0.08 0.00 -0.56 0.00 -2.02 0.00 0.00 58.31 55.65 3fin n LYS 77 Cb 0.58 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.52 3fin n LYS 77 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 3fin n LYS 78 N -0.80 0.28 -3.81 1.97 -0.00 -1.26 -4.49 118.16 110.05 3fin n LYS 78 Ca 0.00 0.10 -0.36 0.00 -0.00 0.00 0.00 58.31 58.05 3fin n LYS 78 Cb 0.00 -1.58 -0.07 0.00 -0.00 0.00 0.00 35.03 33.38 3fin n LYS 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3fin s ALA 79 N -0.02 3.80 0.13 0.58 0.00 -1.21 -2.77 121.76 122.27 3fin s ALA 79 Ca 0.86 -0.65 -0.10 0.00 0.00 0.00 0.00 51.96 52.08 3fin s ALA 79 Cb -1.16 -2.06 -0.08 0.00 0.00 0.00 0.00 23.12 19.82 3fin s ALA 79 CO 0.55 0.44 1.36 0.97 0.00 0.00 0.00 175.76 179.08 3fin h ILE 80 N 4.23 1.30 -1.41 0.00 2.10 -1.06 -3.03 117.51 119.64 3fin h ILE 80 Ca -0.50 -1.95 0.02 0.00 1.08 0.00 0.00 64.86 63.52 3fin h ILE 80 Cb 1.20 1.93 -0.01 0.00 -1.09 0.00 0.00 36.82 38.84 3fin h ILE 80 CO 0.65 0.61 -0.39 0.55 -1.08 0.00 0.00 178.15 178.49 3fin n VAL 81 N -3.93 -0.99 -0.38 2.19 3.14 -1.26 -2.41 118.33 114.70 3fin n VAL 81 Ca -0.06 0.52 -0.29 0.00 -2.96 0.00 0.00 64.34 61.56 3fin n VAL 81 Cb 0.71 -0.86 0.26 0.00 -1.06 0.00 0.00 33.84 32.89 3fin n VAL 81 CO 0.00 0.00 0.00 1.67 -6.46 0.00 0.00 176.83 172.04 3fin n GLN 82 N -2.09 -3.53 -2.30 1.45 -0.06 1.01 -4.27 117.38 107.60 3fin n GLN 82 Ca -0.01 -1.03 -0.40 0.00 -2.00 0.00 0.00 57.00 53.57 3fin n GLN 82 Cb 0.20 -1.94 -0.03 0.00 -4.06 0.00 0.00 30.24 24.40 3fin n GLN 82 CO 0.00 0.00 0.00 0.14 -0.20 0.00 0.00 177.06 177.00 3fin s VAL 83 N -2.22 3.54 0.00 1.69 -7.23 -1.26 -4.02 120.40 110.90 3fin s VAL 83 Ca 0.64 0.29 0.00 0.00 -1.81 0.00 0.00 61.98 61.10 3fin s VAL 83 Cb -0.17 -4.43 0.00 0.00 0.56 0.00 0.00 36.38 32.34 3fin s VAL 83 CO 0.59 -1.39 0.00 0.00 -0.31 0.00 0.00 175.10 173.99 3fin n ALA 84 N 11.07 0.00 0.28 1.32 0.00 -1.26 -4.91 120.51 127.00 3fin n ALA 84 Ca 0.12 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.61 3fin n ALA 84 Cb 0.51 0.00 0.29 0.00 0.00 0.00 0.00 19.45 20.24 3fin n ALA 84 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3fin h PRO 85 N 0.00 0.00 -2.80 0.00 0.11 -1.95 -3.43 132.00 123.94 3fin h PRO 85 Ca 0.00 0.00 -0.30 0.00 0.11 0.00 0.00 66.00 65.81 3fin h PRO 85 Cb 0.00 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.07 3fin h PRO 85 CO 0.00 0.00 0.88 0.41 -0.21 0.00 0.00 178.00 179.08 3fin n GLY 86 N -1.34 -0.22 3.26 -0.55 0.00 -1.26 -4.82 105.19 100.26 3fin n GLY 86 Ca -0.01 0.61 -0.12 0.00 0.00 0.00 0.00 46.02 46.51 3fin n GLY 86 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3fin s GLN 87 N 4.42 1.29 0.44 1.61 -2.07 -1.26 -5.01 119.66 119.08 3fin s GLN 87 Ca 0.71 -1.60 0.00 0.00 -1.82 0.00 0.00 55.36 52.64 3fin s GLN 87 Cb -0.70 0.30 0.00 0.00 -1.09 0.00 0.00 33.01 31.52 3fin s GLN 87 CO 0.28 -0.44 0.00 1.63 -1.32 0.00 0.00 175.29 175.44 3fin n LYS 88 N -0.31 -4.73 0.00 9.60 4.01 -1.26 -4.60 118.16 120.87 3fin n LYS 88 Ca 0.02 3.47 0.00 0.00 -0.51 0.00 0.00 58.31 61.29 3fin n LYS 88 Cb 0.65 -3.91 0.00 0.00 -0.51 0.00 0.00 35.03 31.26 3fin n LYS 88 CO 0.00 0.00 0.00 -0.89 -1.11 0.00 0.00 177.40 175.40 3fin n ILE 89 N -0.19 0.00 0.00 -0.18 -0.00 -1.26 -4.89 119.36 112.85 3fin n ILE 89 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.75 3fin n ILE 89 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 39.64 3fin n ILE 89 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.55 177.76 3fin n GLU 90 N -1.94 0.00 0.00 0.38 2.13 -1.26 -2.43 120.64 117.52 3fin n GLU 90 Ca 0.00 0.06 0.00 0.00 0.66 0.00 0.00 57.16 57.88 3fin n GLU 90 Cb 0.00 -0.87 0.00 0.00 0.27 0.00 0.00 31.44 30.84 3fin n GLU 90 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3fin n ALA 91 N -1.19 1.23 -2.61 4.31 0.00 -1.26 -2.24 120.51 118.75 3fin n ALA 91 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 3fin n ALA 91 Cb 0.00 -0.97 -0.03 0.00 0.00 0.00 0.00 19.45 18.45 3fin n ALA 91 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3fin s LEU 92 N -2.42 3.97 0.00 0.00 1.43 -1.02 -2.98 118.68 117.66 3fin s LEU 92 Ca 0.00 0.60 0.00 0.00 -1.03 0.00 0.00 54.13 53.70 3fin s LEU 92 Cb 0.00 -3.30 0.00 0.00 0.03 0.00 0.00 46.19 42.92 3fin s LEU 92 CO 0.00 -0.89 0.00 1.21 0.23 0.00 0.00 176.35 176.90 3fin n GLU 93 N 6.85 0.00 0.00 1.70 4.07 -1.26 -4.41 120.64 127.59 3fin n GLU 93 Ca 0.08 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.18 3fin n GLU 93 Cb 0.48 -0.87 0.00 0.00 -0.06 0.00 0.00 31.44 30.99 3fin n GLU 93 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3fin n GLY 94 N -2.00 2.36 0.00 8.31 0.00 -1.16 -5.17 105.19 107.53 3fin n GLY 94 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.64 3fin n GLY 94 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36