#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fin s PHE 12 N 0.00 3.17 -1.89 5.58 -0.12 -1.26 -4.89 117.98 118.58 3fin s PHE 12 Ca 0.00 -0.96 0.14 0.00 -0.05 0.00 0.00 56.93 56.06 3fin s PHE 12 Cb 0.00 -2.29 0.43 0.00 -0.63 0.00 0.00 43.02 40.53 3fin s PHE 12 CO 0.00 -0.58 1.35 0.54 -0.05 0.00 0.00 175.22 176.48 3fin n ARG 13 N 4.89 2.21 0.00 1.99 3.00 -1.26 -4.78 116.66 122.71 3fin n ARG 13 Ca -0.14 -1.75 0.00 0.00 -0.01 0.00 0.00 57.85 55.95 3fin n ARG 13 Cb 0.48 -1.42 0.00 0.00 0.00 0.00 0.00 32.46 31.52 3fin n ARG 13 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 3fin n VAL 14 N 0.87 0.00 -4.50 1.55 0.31 -1.26 -4.67 118.33 110.63 3fin n VAL 14 Ca 0.16 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 64.08 3fin n VAL 14 Cb 0.44 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 33.29 3fin n VAL 14 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3fin n ARG 15 N -0.69 -1.02 0.14 5.55 5.12 -1.26 -4.62 116.66 119.87 3fin n ARG 15 Ca 0.00 0.17 0.19 0.00 -1.93 0.00 0.00 57.85 56.28 3fin n ARG 15 Cb 0.00 -4.72 0.78 0.00 -1.16 0.00 0.00 32.46 27.36 3fin n ARG 15 CO 0.00 0.00 0.00 -0.91 -1.93 0.00 0.00 177.63 174.79 3fin h ASN 16 N -0.99 0.00 0.00 0.55 4.21 -1.86 -3.34 115.58 114.15 3fin h ASN 16 Ca -0.60 0.00 0.00 0.00 1.21 0.00 0.00 56.30 56.91 3fin h ASN 16 Cb 1.39 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.59 3fin h ASN 16 CO 0.88 0.00 0.00 -2.11 -1.29 0.00 0.00 177.43 174.91 3fin n ARG 17 N -3.77 2.67 0.00 0.81 1.85 -1.26 -3.88 116.66 113.08 3fin n ARG 17 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.90 3fin n ARG 17 Cb 0.49 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.90 3fin n ARG 17 CO 0.00 0.00 0.00 1.51 -0.01 0.00 0.00 177.63 179.13 3fin n ILE 18 N -0.00 0.00 -0.60 8.89 0.13 -1.25 -4.45 119.36 122.07 3fin n ILE 18 Ca 0.00 0.00 -0.17 0.00 -1.10 0.00 0.00 62.75 61.48 3fin n ILE 18 Cb 0.00 0.00 0.14 0.00 -0.84 0.00 0.00 39.64 38.94 3fin n ILE 18 CO 0.00 0.00 0.00 1.17 2.80 0.00 0.00 176.55 180.52 3fin n LYS 19 N -0.50 1.97 -3.81 9.51 4.81 -1.25 -4.77 118.16 124.12 3fin n LYS 19 Ca 0.00 -2.18 -0.37 0.00 -0.87 0.00 0.00 58.31 54.90 3fin n LYS 19 Cb 0.00 -1.86 -0.13 0.00 0.02 0.00 0.00 35.03 33.06 3fin n LYS 19 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 3fin s ARG 20 N -2.38 2.55 0.00 1.64 1.81 -1.26 -4.91 118.95 116.39 3fin s ARG 20 Ca 0.41 -1.22 0.00 0.00 -1.72 0.00 0.00 55.73 53.20 3fin s ARG 20 Cb 0.35 -3.36 0.00 0.00 -0.45 0.00 0.00 34.95 31.48 3fin s ARG 20 CO 0.08 -0.65 0.00 2.41 -0.68 0.00 0.00 175.30 176.46 3fin n THR 21 N 4.74 0.00 -0.61 0.02 -1.04 -1.26 -4.76 114.28 111.37 3fin n THR 21 Ca -0.13 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 61.80 3fin n THR 21 Cb 0.44 0.06 0.02 0.00 -1.82 0.00 0.00 70.33 69.03 3fin n THR 21 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3fin n GLY 22 N 2.56 3.27 0.96 3.41 0.00 -1.26 -5.00 105.19 109.13 3fin n GLY 22 Ca 0.00 -0.54 0.11 0.00 0.00 0.00 0.00 46.02 45.59 3fin n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fin n ARG 23 N 0.84 -1.74 -2.63 1.61 1.74 -1.26 -4.82 116.66 110.39 3fin n ARG 23 Ca 0.15 1.25 -0.02 0.00 -0.77 0.00 0.00 57.85 58.46 3fin n ARG 23 Cb 0.56 -2.23 -0.02 0.00 -1.02 0.00 0.00 32.46 29.75 3fin n ARG 23 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3fin n LEU 24 N -3.06 -4.99 -4.44 0.55 7.99 -1.26 -4.45 117.00 107.35 3fin n LEU 24 Ca -0.01 1.83 -0.33 0.00 -0.01 0.00 0.00 56.01 57.49 3fin n LEU 24 Cb 0.60 -2.52 -0.13 0.00 -0.11 0.00 0.00 43.42 41.26 3fin n LEU 24 CO 0.01 -3.19 -0.41 -0.60 -1.51 0.00 0.00 177.39 171.70 3fin s ARG 25 N -0.36 3.37 -1.11 3.23 3.52 -0.57 -3.19 118.95 123.84 3fin s ARG 25 Ca -0.12 -0.61 -0.04 0.00 -0.13 0.00 0.00 55.73 54.83 3fin s ARG 25 Cb 0.01 -2.71 0.28 0.00 -1.56 0.00 0.00 34.95 30.97 3fin s ARG 25 CO 0.32 0.29 1.66 -0.11 -0.81 0.00 0.00 175.30 176.65 3fin n LEU 26 N 3.32 6.74 -4.62 -0.88 0.00 -1.15 -0.70 117.00 119.71 3fin n LEU 26 Ca -0.18 -5.15 -0.43 0.00 0.00 0.00 0.00 56.01 50.25 3fin n LEU 26 Cb 0.53 -1.29 -0.03 0.00 0.00 0.00 0.00 43.42 42.63 3fin n LEU 26 CO 0.31 1.74 1.70 -0.44 0.00 0.00 0.00 177.39 180.70 3fin s SER 27 N -1.23 5.84 0.00 1.96 0.01 0.25 -3.88 113.70 116.66 3fin s SER 27 Ca 0.35 1.99 0.00 0.00 1.31 0.00 0.00 55.95 59.60 3fin s SER 27 Cb 0.09 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.80 3fin s SER 27 CO 0.04 -1.64 0.00 0.52 0.41 0.00 0.00 173.24 172.57 3fin n VAL 28 N 7.03 0.00 0.00 3.43 0.31 -1.26 0.11 118.33 127.95 3fin n VAL 28 Ca 0.25 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.58 3fin n VAL 28 Cb 0.44 -0.86 0.00 0.00 -0.91 0.00 0.00 33.84 32.51 3fin n VAL 28 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 3fin n PHE 29 N 0.00 0.00 -3.46 3.52 -0.00 0.25 -4.75 117.46 113.02 3fin n PHE 29 Ca 0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 57.45 57.07 3fin n PHE 29 Cb 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 39.48 39.40 3fin n PHE 29 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.76 177.26 3fin s ARG 30 N 0.00 4.16 0.00 -4.13 6.06 -1.26 -0.33 118.95 123.45 3fin s ARG 30 Ca 0.00 0.09 0.00 0.00 -2.50 0.00 0.00 55.73 53.32 3fin s ARG 30 Cb 0.00 -3.52 0.00 0.00 0.06 0.00 0.00 34.95 31.49 3fin s ARG 30 CO 0.00 0.01 0.00 0.45 -2.50 0.00 0.00 175.30 173.26 3fin n SER 31 N 4.33 0.00 -0.18 -2.12 2.88 0.20 -4.99 113.62 113.74 3fin n SER 31 Ca -0.10 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.49 3fin n SER 31 Cb 0.51 0.00 0.07 0.00 -0.75 0.00 0.00 64.21 64.04 3fin n SER 31 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3fin n LEU 32 N 0.00 1.38 0.00 2.46 4.77 -1.26 -4.78 117.00 119.57 3fin n LEU 32 Ca 0.00 -2.02 0.00 0.00 -0.03 0.00 0.00 56.01 53.96 3fin n LEU 32 Cb 0.00 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 40.89 3fin n LEU 32 CO 0.00 0.48 0.00 1.17 -1.33 0.00 0.00 177.39 177.71 3fin n LYS 33 N -0.74 0.00 -5.05 3.23 0.00 -1.26 -5.14 118.16 109.20 3fin n LYS 33 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 58.31 58.10 3fin n LYS 33 Cb 0.59 0.00 -0.15 0.00 0.00 0.00 0.00 35.03 35.47 3fin n LYS 33 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.40 176.39 3fin s HIS 34 N -0.91 2.11 -0.11 5.64 3.76 -1.26 -4.76 115.29 119.75 3fin s HIS 34 Ca 0.00 -0.40 0.01 0.00 -0.15 0.00 0.00 55.06 54.52 3fin s HIS 34 Cb 0.00 -1.33 -0.02 0.00 1.11 0.00 0.00 32.58 32.35 3fin s HIS 34 CO 0.00 0.01 -0.13 -1.50 -0.85 0.00 0.00 174.74 172.27 3fin s ILE 35 N -0.63 3.08 -0.03 0.60 2.07 -1.26 -0.63 121.20 124.40 3fin s ILE 35 Ca 0.09 -0.67 0.07 0.00 -1.41 0.00 0.00 60.65 58.74 3fin s ILE 35 Cb -0.09 -2.28 -0.02 0.00 0.13 0.00 0.00 42.46 40.20 3fin s ILE 35 CO 0.00 0.54 -0.23 -0.31 -1.91 0.00 0.00 174.94 173.02 3fin s TYR 36 N 0.12 2.43 0.16 3.50 1.51 0.55 -0.83 117.35 124.78 3fin s TYR 36 Ca -0.06 -0.43 0.11 0.00 -1.01 0.00 0.00 57.07 55.67 3fin s TYR 36 Cb -0.15 -1.55 -0.04 0.00 -0.11 0.00 0.00 41.96 40.11 3fin s TYR 36 CO 0.05 -0.03 -0.24 0.00 -1.11 0.00 0.00 175.55 174.22 3fin s ALA 37 N -0.55 2.35 -0.23 3.71 0.00 -1.03 -0.58 121.76 125.42 3fin s ALA 37 Ca 0.08 -1.53 -0.12 0.00 0.00 0.00 0.00 51.96 50.39 3fin s ALA 37 Cb -0.11 -0.32 0.08 0.00 0.00 0.00 0.00 23.12 22.77 3fin s ALA 37 CO 0.00 0.44 0.55 -1.14 0.00 0.00 0.00 175.76 175.61 3fin s GLN 38 N -2.41 0.53 -0.25 0.00 0.74 0.12 -2.33 119.66 116.06 3fin s GLN 38 Ca 0.16 1.07 -0.20 0.00 0.05 0.00 0.00 55.36 56.45 3fin s GLN 38 Cb -0.09 0.19 -0.02 0.00 1.10 0.00 0.00 33.01 34.19 3fin s GLN 38 CO 0.08 -0.17 0.61 0.42 -0.55 0.00 0.00 175.29 175.67 3fin s ILE 39 N 1.82 5.00 0.05 -2.34 -1.09 -0.39 -0.58 121.20 123.68 3fin s ILE 39 Ca -0.08 1.09 0.07 0.00 -2.23 0.00 0.00 60.65 59.50 3fin s ILE 39 Cb -0.08 -3.92 -0.03 0.00 -1.58 0.00 0.00 42.46 36.86 3fin s ILE 39 CO -0.16 0.05 -0.20 -0.63 -1.23 0.00 0.00 174.94 172.77 3fin s ILE 40 N 2.39 1.61 -0.24 2.92 1.01 0.12 -1.46 121.20 127.55 3fin s ILE 40 Ca 0.26 -1.25 -0.06 0.00 0.00 0.00 0.00 60.65 59.60 3fin s ILE 40 Cb -0.16 -1.42 -0.02 0.00 0.01 0.00 0.00 42.46 40.87 3fin s ILE 40 CO 0.09 0.13 0.04 -0.62 0.00 0.00 0.00 174.94 174.57 3fin s ASP 41 N -1.32 4.90 0.75 3.58 2.15 0.46 -1.51 116.67 125.67 3fin s ASP 41 Ca 0.07 -0.26 -0.02 0.00 0.43 0.00 0.00 52.55 52.77 3fin s ASP 41 Cb -0.09 -1.87 0.14 0.00 -0.30 0.00 0.00 42.92 40.80 3fin s ASP 41 CO 0.02 -0.03 0.96 0.47 -0.17 0.00 0.00 175.17 176.42 3fin n ASP 42 N 4.88 1.10 0.00 -0.34 9.92 -1.26 -2.65 116.55 128.20 3fin n ASP 42 Ca -0.17 -1.97 0.00 0.00 -0.53 0.00 0.00 54.79 52.12 3fin n ASP 42 Cb 0.51 -0.64 0.00 0.00 -0.64 0.00 0.00 41.12 40.35 3fin n ASP 42 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 3fin n GLU 43 N -2.82 0.00 -3.11 -1.24 1.02 -1.26 -4.51 120.64 108.72 3fin n GLU 43 Ca 0.15 0.00 -0.20 0.00 -0.02 0.00 0.00 57.16 57.09 3fin n GLU 43 Cb 0.54 -1.12 -0.05 0.00 -0.02 0.00 0.00 31.44 30.79 3fin n GLU 43 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3fin n LYS 44 N -0.54 0.61 -1.10 3.49 5.02 -1.26 -5.09 118.16 119.29 3fin n LYS 44 Ca 0.00 -2.84 -0.22 0.00 -2.02 0.00 0.00 58.31 53.22 3fin n LYS 44 Cb 0.00 -1.37 -0.14 0.00 -0.02 0.00 0.00 35.03 33.50 3fin n LYS 44 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3fin n GLY 45 N 1.83 -0.36 3.52 0.72 0.00 -1.23 -4.77 105.19 104.89 3fin n GLY 45 Ca 0.20 0.38 -0.15 0.00 0.00 0.00 0.00 46.02 46.46 3fin n GLY 45 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fin s VAL 46 N 3.00 0.00 0.12 1.61 1.01 -1.08 -5.04 120.40 120.01 3fin s VAL 46 Ca 0.98 0.00 0.09 0.00 0.00 0.00 0.00 61.98 63.06 3fin s VAL 46 Cb -0.76 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 3fin s VAL 46 CO 0.39 0.00 -0.19 -0.89 0.00 0.00 0.00 175.10 174.41 3fin s THR 47 N -1.68 2.75 0.00 3.92 2.01 -1.26 -0.41 115.64 120.97 3fin s THR 47 Ca -0.06 -1.56 0.00 0.00 0.31 0.00 0.00 61.69 60.37 3fin s THR 47 Cb -0.00 -2.26 0.00 0.00 0.01 0.00 0.00 72.50 70.25 3fin s THR 47 CO 0.04 0.09 0.00 0.18 -0.69 0.00 0.00 174.62 174.23 3fin n LEU 48 N 0.77 0.00 -4.83 4.42 4.32 -0.54 -4.98 117.00 116.17 3fin n LEU 48 Ca -0.16 0.00 -0.34 0.00 -0.02 0.00 0.00 56.01 55.49 3fin n LEU 48 Cb 0.53 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 42.27 3fin n LEU 48 CO 0.28 -0.33 0.50 -0.69 -1.22 0.00 0.00 177.39 175.92 3fin s VAL 49 N -0.66 4.54 -0.09 4.08 1.01 -1.25 -4.95 120.40 123.09 3fin s VAL 49 Ca 0.00 1.24 -0.13 0.00 0.00 0.00 0.00 61.98 63.09 3fin s VAL 49 Cb 0.00 -3.71 0.03 0.00 0.00 0.00 0.00 36.38 32.70 3fin s VAL 49 CO 0.00 -0.09 0.34 -0.94 0.00 0.00 0.00 175.10 174.41 3fin s SER 50 N -2.03 -0.30 -0.39 3.32 1.04 -1.26 -1.26 113.70 112.81 3fin s SER 50 Ca 0.53 0.48 0.05 0.00 0.48 0.00 0.00 55.95 57.49 3fin s SER 50 Cb -0.12 0.57 0.17 0.00 0.10 0.00 0.00 66.02 66.73 3fin s SER 50 CO 0.18 -0.25 0.49 0.00 0.98 0.00 0.00 173.24 174.64 3fin s ALA 51 N -0.39 -1.26 1.15 5.32 0.00 -0.98 -4.79 121.76 120.81 3fin s ALA 51 Ca -0.05 -0.49 -0.19 0.00 0.00 0.00 0.00 51.96 51.22 3fin s ALA 51 Cb -0.03 -2.35 0.28 0.00 0.00 0.00 0.00 23.12 21.01 3fin s ALA 51 CO 0.02 -2.18 1.20 -1.13 0.00 0.00 0.00 175.76 173.67 3fin n SER 52 N 4.28 -1.24 0.00 0.00 3.41 -1.26 -2.48 113.62 116.33 3fin n SER 52 Ca 0.11 -1.30 0.00 0.00 -0.26 0.00 0.00 58.87 57.43 3fin n SER 52 Cb 0.50 -1.02 0.00 0.00 -0.26 0.00 0.00 64.21 63.43 3fin n SER 52 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3fin n SER 53 N -4.49 0.00 0.07 4.04 2.88 -0.01 -4.62 113.62 111.49 3fin n SER 53 Ca 0.16 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.82 3fin n SER 53 Cb 0.59 0.00 0.11 0.00 -0.75 0.00 0.00 64.21 64.16 3fin n SER 53 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 3fin h LEU 54 N 0.00 0.00 -0.31 2.46 -0.00 -1.86 -3.06 115.31 112.54 3fin h LEU 54 Ca 0.00 -0.18 0.00 0.00 -0.00 0.00 0.00 57.88 57.70 3fin h LEU 54 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 3fin h LEU 54 CO 0.00 0.09 0.00 0.00 -0.00 0.00 0.00 178.44 178.53 3fin n ALA 55 N -1.92 1.85 0.04 1.53 0.00 -1.26 -1.88 120.51 118.87 3fin n ALA 55 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 3fin n ALA 55 Cb 0.47 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.92 3fin n ALA 55 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3fin n LEU 56 N -0.26 0.78 0.00 0.00 0.00 -1.18 -4.87 117.00 111.48 3fin n LEU 56 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 56.01 56.13 3fin n LEU 56 Cb 0.03 -0.22 0.00 0.00 0.00 0.00 0.00 43.42 43.23 3fin n LEU 56 CO 0.00 -0.70 0.00 1.17 0.00 0.00 0.00 177.39 177.86 3fin n LYS 57 N -3.25 0.00 0.00 1.96 4.81 -0.79 -5.10 118.16 115.79 3fin n LYS 57 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 3fin n LYS 57 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 3fin n LYS 57 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 3fin n LEU 58 N 0.00 0.00 0.00 3.14 7.94 -1.26 -4.36 117.00 122.46 3fin n LEU 58 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 3fin n LEU 58 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 3fin n LEU 58 CO 0.00 0.00 0.00 0.29 -1.11 0.00 0.00 177.39 176.57 3fin n LYS 59 N 0.00 0.00 0.00 1.96 5.02 -1.26 -4.76 118.16 119.12 3fin n LYS 59 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3fin n LYS 59 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 3fin n LYS 59 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3fin n GLY 60 N 0.00 -0.35 3.55 0.72 0.00 -1.26 -5.01 105.19 102.84 3fin n GLY 60 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 3fin n GLY 60 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3fin s ASN 61 N 0.00 5.95 0.00 1.61 3.04 -1.26 -5.04 114.94 119.24 3fin s ASN 61 Ca 0.00 -0.21 0.00 0.00 0.04 0.00 0.00 52.86 52.69 3fin s ASN 61 Cb 0.00 -2.11 0.00 0.00 -1.54 0.00 0.00 41.25 37.60 3fin s ASN 61 CO 0.00 -0.13 0.31 0.29 -3.04 0.00 0.00 177.10 174.54 3fin n LYS 62 N 5.06 0.00 -0.24 0.43 4.76 -1.26 0.25 118.16 127.16 3fin n LYS 62 Ca -0.14 0.25 -0.12 0.00 -2.87 0.00 0.00 58.31 55.44 3fin n LYS 62 Cb 0.51 -0.81 -0.09 0.00 -1.84 0.00 0.00 35.03 32.79 3fin n LYS 62 CO 0.00 0.00 0.00 1.79 -1.37 0.00 0.00 177.40 177.82 3fin h THR 63 N 0.00 0.00 -0.73 -0.18 1.35 -1.92 1.73 112.91 113.16 3fin h THR 63 Ca 0.00 0.00 0.10 0.00 -0.55 0.00 0.00 66.41 65.96 3fin h THR 63 Cb 0.00 0.00 -0.12 0.00 -1.73 0.00 0.00 68.15 66.30 3fin h THR 63 CO 0.00 0.00 -0.45 -0.33 -0.25 0.00 0.00 175.52 174.49 3fin h GLU 64 N -0.21 -0.14 0.28 4.72 3.07 -1.98 0.29 114.58 120.62 3fin h GLU 64 Ca 0.10 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.98 3fin h GLU 64 Cb 0.48 0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 28.39 3fin h GLU 64 CO -0.69 -0.09 -0.33 0.28 -1.40 0.00 0.00 179.01 176.77 3fin h VAL 65 N -0.14 0.31 -0.49 3.13 2.07 0.18 -3.33 116.25 117.98 3fin h VAL 65 Ca 0.21 0.00 -0.25 0.00 0.82 0.00 0.00 66.70 67.48 3fin h VAL 65 Cb 0.55 0.31 -0.04 0.00 -1.52 0.00 0.00 31.29 30.58 3fin h VAL 65 CO -0.79 0.00 1.08 0.00 0.02 0.00 0.00 177.57 177.88 3fin n ALA 66 N -2.65 0.62 0.00 1.67 0.00 0.57 -0.19 120.51 120.53 3fin n ALA 66 Ca -0.09 -1.02 0.00 0.00 0.00 0.00 0.00 53.44 52.34 3fin n ALA 66 Cb 0.34 -2.93 0.00 0.00 0.00 0.00 0.00 19.45 16.87 3fin n ALA 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3fin n ARG 67 N 8.01 0.00 0.30 0.00 1.74 -1.24 -4.59 116.66 120.88 3fin n ARG 67 Ca 0.52 0.00 0.18 0.00 -0.77 0.00 0.00 57.85 57.78 3fin n ARG 67 Cb 0.33 0.00 0.90 0.00 -1.02 0.00 0.00 32.46 32.68 3fin n ARG 67 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 3fin h GLN 68 N 0.00 0.00 0.00 5.56 4.20 -0.68 3.27 115.11 127.46 3fin h GLN 68 Ca 0.00 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.61 3fin h GLN 68 Cb 0.00 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 3fin h GLN 68 CO 0.00 0.00 -0.73 -0.24 -0.67 0.00 0.00 178.83 177.19 3fin h VAL 69 N 0.00 0.55 0.15 -0.54 3.04 -1.47 -3.02 116.25 114.96 3fin h VAL 69 Ca 0.03 -1.85 -0.35 0.00 -1.01 0.00 0.00 66.70 63.52 3fin h VAL 69 Cb 0.54 2.15 -0.00 0.00 -2.01 0.00 0.00 31.29 31.97 3fin h VAL 69 CO -0.00 0.31 -1.78 1.23 -1.01 0.00 0.00 177.57 176.32 3fin h GLY 70 N 3.68 0.37 0.07 3.17 0.00 0.51 -3.26 103.07 107.61 3fin h GLY 70 Ca -0.05 -0.94 0.14 0.00 0.00 0.00 0.00 47.33 46.49 3fin h GLY 70 CO 0.04 0.82 0.21 3.21 0.00 0.00 0.00 176.54 180.83 3fin h ARG 71 N 0.09 0.32 -0.83 4.80 2.47 0.17 0.80 114.38 122.20 3fin h ARG 71 Ca -0.35 -0.02 0.10 0.00 -1.26 0.00 0.00 59.98 58.46 3fin h ARG 71 Cb 2.07 -0.07 -0.12 0.00 -1.65 0.00 0.00 29.97 30.19 3fin h ARG 71 CO 0.15 0.21 -0.49 0.00 0.56 0.00 0.00 179.97 180.40 3fin h ALA 72 N 1.55 -0.31 -0.95 0.04 0.00 -1.57 0.38 119.26 118.40 3fin h ALA 72 Ca 0.39 0.15 0.06 0.00 0.00 0.00 0.00 54.91 55.51 3fin h ALA 72 Cb 0.62 1.14 -0.06 0.00 0.00 0.00 0.00 17.79 19.49 3fin h ALA 72 CO -0.44 -0.84 0.61 -0.07 0.00 0.00 0.00 179.25 178.50 3fin h LEU 73 N -0.10 0.98 0.00 0.00 3.38 -0.95 -2.35 115.31 116.27 3fin h LEU 73 Ca 0.21 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.19 3fin h LEU 73 Cb 0.52 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.07 3fin h LEU 73 CO -0.85 0.64 0.00 0.00 0.09 0.00 0.00 178.44 178.32 3fin n ALA 74 N -2.36 0.00 -0.30 1.53 0.00 0.13 0.11 120.51 119.62 3fin n ALA 74 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 3fin n ALA 74 Cb 0.16 0.06 0.00 0.00 0.00 0.00 0.00 19.45 19.67 3fin n ALA 74 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3fin n GLU 75 N -0.29 0.00 -0.12 0.00 1.02 -1.08 -0.40 120.64 119.77 3fin n GLU 75 Ca 0.00 0.80 -0.02 0.00 -0.02 0.00 0.00 57.16 57.92 3fin n GLU 75 Cb 0.00 -1.35 -0.01 0.00 -0.02 0.00 0.00 31.44 30.06 3fin n GLU 75 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3fin n LYS 76 N -2.32 -0.11 0.00 3.49 4.76 -0.88 -0.52 118.16 122.58 3fin n LYS 76 Ca 0.00 0.46 0.00 0.00 -2.87 0.00 0.00 58.31 55.90 3fin n LYS 76 Cb 0.00 -0.68 0.00 0.00 -1.84 0.00 0.00 35.03 32.51 3fin n LYS 76 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3fin n ALA 77 N -3.80 -0.20 -0.31 7.82 0.00 0.30 -3.22 120.51 121.11 3fin n ALA 77 Ca 0.02 0.00 0.26 0.00 0.00 0.00 0.00 53.44 53.71 3fin n ALA 77 Cb 0.09 0.00 0.43 0.00 0.00 0.00 0.00 19.45 19.98 3fin n ALA 77 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3fin n LEU 78 N -1.34 0.12 -0.19 0.00 4.77 0.47 0.13 117.00 120.96 3fin n LEU 78 Ca 0.00 0.85 -0.01 0.00 -0.03 0.00 0.00 56.01 56.83 3fin n LEU 78 Cb 0.00 -0.42 0.07 0.00 -2.33 0.00 0.00 43.42 40.74 3fin n LEU 78 CO 0.00 -0.92 0.79 0.00 -1.33 0.00 0.00 177.39 175.92 3fin h ALA 79 N 0.97 0.46 -0.80 -1.18 0.00 -0.77 -1.40 119.26 116.54 3fin h ALA 79 Ca 0.55 0.20 -0.42 0.00 0.00 0.00 0.00 54.91 55.25 3fin h ALA 79 Cb 1.82 0.38 -0.25 0.00 0.00 0.00 0.00 17.79 19.74 3fin h ALA 79 CO -0.27 -0.42 0.53 1.47 0.00 0.00 0.00 179.25 180.56 3fin n LEU 80 N -5.34 6.04 -2.29 0.00 -0.00 0.35 -4.92 117.00 110.84 3fin n LEU 80 Ca 0.07 -3.21 -0.10 0.00 -0.00 0.00 0.00 56.01 52.77 3fin n LEU 80 Cb 0.32 -0.78 0.05 0.00 -0.00 0.00 0.00 43.42 43.01 3fin n LEU 80 CO 0.09 0.95 0.07 0.61 -0.00 0.00 0.00 177.39 179.12 3fin n GLY 81 N -0.81 0.04 3.47 1.47 0.00 -0.53 -5.06 105.19 103.76 3fin n GLY 81 Ca 0.48 -0.17 -0.29 0.00 0.00 0.00 0.00 46.02 46.04 3fin n GLY 81 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fin s ILE 82 N -3.19 2.73 0.00 -0.61 -1.09 -1.25 -5.01 121.20 112.79 3fin s ILE 82 Ca 0.06 -1.57 0.00 0.00 -2.23 0.00 0.00 60.65 56.91 3fin s ILE 82 Cb -0.03 -2.25 0.00 0.00 -1.58 0.00 0.00 42.46 38.60 3fin s ILE 82 CO 0.39 0.08 0.00 1.17 -1.23 0.00 0.00 174.94 175.36 3fin n LYS 83 N 0.77 0.00 -1.65 2.79 4.81 -1.26 -4.01 118.16 119.62 3fin n LYS 83 Ca -0.16 0.00 -0.56 0.00 -0.87 0.00 0.00 58.31 56.73 3fin n LYS 83 Cb 0.53 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 35.51 3fin n LYS 83 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 3fin n GLN 84 N 0.00 1.04 -3.67 1.64 3.00 -1.26 -2.95 117.38 115.17 3fin n GLN 84 Ca 0.00 0.38 -0.06 0.00 -0.01 0.00 0.00 57.00 57.30 3fin n GLN 84 Cb 0.00 -2.03 0.03 0.00 0.00 0.00 0.00 30.24 28.24 3fin n GLN 84 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.06 178.39 3fin n VAL 85 N 3.52 0.00 -4.56 5.09 0.24 -1.24 -4.89 118.33 116.49 3fin n VAL 85 Ca 0.23 -0.80 -0.29 0.00 -2.04 0.00 0.00 64.34 61.44 3fin n VAL 85 Cb 0.14 0.87 -0.13 0.00 -1.47 0.00 0.00 33.84 33.25 3fin n VAL 85 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3fin s ALA 86 N -2.01 2.36 0.24 2.33 0.00 -1.19 -3.92 121.76 119.57 3fin s ALA 86 Ca 0.17 -1.39 0.00 0.00 0.00 0.00 0.00 51.96 50.74 3fin s ALA 86 Cb -0.04 -0.44 0.00 0.00 0.00 0.00 0.00 23.12 22.65 3fin s ALA 86 CO 0.09 0.54 0.00 0.34 0.00 0.00 0.00 175.76 176.73 3fin n PHE 87 N 1.20 0.00 -0.66 0.00 7.35 -1.26 -2.91 117.46 121.18 3fin n PHE 87 Ca -0.17 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.52 3fin n PHE 87 Cb 0.53 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.36 3fin n PHE 87 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 3fin n ASP 88 N 0.00 0.00 -1.90 -2.13 4.64 -1.25 -3.06 116.55 112.84 3fin n ASP 88 Ca 0.00 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.41 3fin n ASP 88 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.08 3fin n ASP 88 CO 0.00 0.00 0.00 -1.14 -0.82 0.00 0.00 177.20 175.24 3fin n ARG 89 N 0.00 -4.06 -0.01 -0.67 3.00 -1.26 -4.82 116.66 108.85 3fin n ARG 89 Ca 0.00 2.89 -0.00 0.00 -0.00 0.00 0.00 57.85 60.73 3fin n ARG 89 Cb 0.00 -3.28 -0.00 0.00 0.00 0.00 0.00 32.46 29.17 3fin n ARG 89 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.63 178.41 3fin h GLY 90 N 3.59 -0.03 1.37 5.14 0.00 -1.96 -3.26 103.07 107.92 3fin h GLY 90 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.34 3fin h GLY 90 CO 0.00 -0.01 0.31 -0.56 0.00 0.00 0.00 176.54 176.28 3fin h PRO 91 N -0.38 0.00 0.00 4.80 0.13 -1.96 -3.29 132.00 131.29 3fin h PRO 91 Ca -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3fin h PRO 91 Cb 0.02 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.15 3fin h PRO 91 CO 0.00 0.00 0.00 2.48 -0.23 0.00 0.00 178.00 180.25 3fin n TYR 92 N -2.88 0.00 -3.02 1.56 4.11 -1.23 -4.82 117.16 110.88 3fin n TYR 92 Ca -0.02 0.00 -0.13 0.00 -0.00 0.00 0.00 57.90 57.75 3fin n TYR 92 Cb 0.36 -0.32 0.01 0.00 -0.00 0.00 0.00 39.34 39.40 3fin n TYR 92 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.86 178.03 3fin n LYS 93 N -2.61 -2.15 -1.49 -3.48 3.00 -1.24 -4.55 118.16 105.65 3fin n LYS 93 Ca 0.00 1.89 -0.40 0.00 -0.00 0.00 0.00 58.31 59.79 3fin n LYS 93 Cb 0.00 -4.97 -0.15 0.00 0.00 0.00 0.00 35.03 29.91 3fin n LYS 93 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.40 178.38 3fin n TYR 94 N -0.55 0.54 0.00 5.64 9.36 -1.26 -4.65 117.16 126.25 3fin n TYR 94 Ca 0.05 0.37 0.00 0.00 3.32 0.00 0.00 57.90 61.64 3fin n TYR 94 Cb 0.51 -2.32 0.00 0.00 -0.63 0.00 0.00 39.34 36.90 3fin n TYR 94 CO 0.00 0.00 0.00 1.58 0.22 0.00 0.00 176.86 178.66 3fin n HIS 95 N 10.31 0.00 -0.00 2.98 -0.00 -1.26 -5.06 115.22 122.19 3fin n HIS 95 Ca 0.65 0.00 -0.00 0.00 0.46 0.00 0.00 57.72 58.83 3fin n HIS 95 Cb 0.03 0.00 -0.00 0.00 -0.12 0.00 0.00 29.99 29.90 3fin n HIS 95 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3fin n GLY 96 N 0.00 -1.37 3.57 1.57 0.00 -1.26 -4.27 105.19 103.43 3fin n GLY 96 Ca 0.00 0.26 -0.48 0.00 0.00 0.00 0.00 46.02 45.80 3fin n GLY 96 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3fin n ARG 97 N -2.44 1.16 -3.58 1.61 1.85 -1.26 -4.93 116.66 109.07 3fin n ARG 97 Ca 0.00 0.41 -0.13 0.00 -1.00 0.00 0.00 57.85 57.13 3fin n ARG 97 Cb 0.00 -1.86 -0.05 0.00 -1.05 0.00 0.00 32.46 29.50 3fin n ARG 97 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 3fin s VAL 98 N -0.44 0.03 -0.06 8.89 1.01 -1.26 -4.99 120.40 123.58 3fin s VAL 98 Ca 0.69 -0.29 0.09 0.00 0.00 0.00 0.00 61.98 62.48 3fin s VAL 98 Cb -0.82 -0.99 0.14 0.00 0.00 0.00 0.00 36.38 34.71 3fin s VAL 98 CO 0.54 -0.16 1.04 0.29 0.00 0.00 0.00 175.10 176.82 3fin n LYS 99 N 0.30 0.82 -1.37 2.72 4.76 -1.26 -3.71 118.16 120.42 3fin n LYS 99 Ca -0.18 -1.77 -0.10 0.00 -2.87 0.00 0.00 58.31 53.40 3fin n LYS 99 Cb 0.61 -1.02 -0.08 0.00 -1.84 0.00 0.00 35.03 32.70 3fin n LYS 99 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3fin n ALA 100 N -0.73 0.39 -2.95 7.82 0.00 -1.26 -4.74 120.51 119.04 3fin n ALA 100 Ca 0.08 -1.59 -0.11 0.00 0.00 0.00 0.00 53.44 51.81 3fin n ALA 100 Cb 0.63 -2.27 -0.08 0.00 0.00 0.00 0.00 19.45 17.73 3fin n ALA 100 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3fin s LEU 101 N 9.70 1.25 0.00 0.00 1.98 -1.26 -4.96 118.68 125.40 3fin s LEU 101 Ca 0.59 -0.27 0.00 0.00 -2.89 0.00 0.00 54.13 51.56 3fin s LEU 101 Cb -0.11 1.02 0.00 0.00 0.66 0.00 0.00 46.19 47.76 3fin s LEU 101 CO 0.14 -0.53 0.00 0.00 -1.89 0.00 0.00 176.35 174.07 3fin n ALA 102 N 0.82 0.00 -0.27 5.97 0.00 -1.26 -4.61 120.51 121.15 3fin n ALA 102 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.24 3fin n ALA 102 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 3fin n ALA 102 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3fin n GLU 103 N -1.10 0.00 -1.57 0.00 -0.58 -1.26 -4.91 120.64 111.22 3fin n GLU 103 Ca 0.00 0.00 -0.54 0.00 -0.42 0.00 0.00 57.16 56.20 3fin n GLU 103 Cb 0.00 0.00 -0.06 0.00 -0.57 0.00 0.00 31.44 30.81 3fin n GLU 103 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3fin n GLY 104 N 0.00 0.25 1.78 0.62 0.00 -1.26 -4.83 105.19 101.75 3fin n GLY 104 Ca 0.00 0.70 -0.15 0.00 0.00 0.00 0.00 46.02 46.58 3fin n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fin n ALA 105 N 2.20 4.70 1.49 4.61 0.00 -1.15 -4.03 120.51 128.33 3fin n ALA 105 Ca 0.19 -1.56 0.15 0.00 0.00 0.00 0.00 53.44 52.22 3fin n ALA 105 Cb 0.17 -1.31 0.78 0.00 0.00 0.00 0.00 19.45 19.08 3fin n ALA 105 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3fin n ARG 106 N 0.12 0.50 -1.29 0.00 0.00 -1.25 -3.73 116.66 111.00 3fin n ARG 106 Ca 0.29 0.00 0.17 0.00 -0.00 0.00 0.00 57.85 58.31 3fin n ARG 106 Cb 0.75 -1.50 -0.06 0.00 0.00 0.00 0.00 32.46 31.65 3fin n ARG 106 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 3fin n GLU 107 N -1.25 -2.80 -1.26 -0.14 4.07 -1.26 -4.47 120.64 113.53 3fin n GLU 107 Ca 0.15 2.10 0.00 0.00 -0.06 0.00 0.00 57.16 59.36 3fin n GLU 107 Cb 0.22 -3.34 0.00 0.00 -0.06 0.00 0.00 31.44 28.26 3fin n GLU 107 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3fin n GLY 108 N -4.12 0.68 0.00 8.31 0.00 -1.26 -4.89 105.19 103.91 3fin n GLY 108 Ca -0.04 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.59 3fin n GLY 108 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93