#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f6u s LEU 51 N -3.24 4.11 0.00 0.00 1.43 -1.26 -4.95 118.68 114.77 3f6u s LEU 51 Ca 0.29 1.99 -0.30 0.00 -1.03 0.00 0.00 54.13 55.08 3f6u s LEU 51 Cb -0.08 -4.23 -0.06 0.00 0.03 0.00 0.00 46.19 41.85 3f6u s LEU 51 CO 0.19 -0.48 1.51 0.68 0.23 0.00 0.00 176.35 178.49 3f6u s VAL 52 N -1.72 3.53 0.19 -1.59 -7.23 -1.26 -5.02 120.40 107.30 3f6u s VAL 52 Ca 0.58 0.87 0.10 0.00 -1.81 0.00 0.00 61.98 61.73 3f6u s VAL 52 Cb -0.20 -3.56 -0.04 0.00 0.56 0.00 0.00 36.38 33.13 3f6u s VAL 52 CO 0.26 -0.02 -0.17 -1.48 -0.31 0.00 0.00 175.10 173.37 3f6u s LEU 53 N 2.85 2.68 0.00 1.32 0.05 -1.26 -5.04 118.68 119.28 3f6u s LEU 53 Ca 0.68 -0.74 0.00 0.00 0.05 0.00 0.00 54.13 54.12 3f6u s LEU 53 Cb -0.34 -1.39 0.00 0.00 -2.05 0.00 0.00 46.19 42.42 3f6u s LEU 53 CO 0.28 0.11 0.32 -0.81 -0.55 0.00 0.00 176.35 175.70 3f6u n PRO 54 N 0.13 0.54 -4.32 1.48 -0.04 -1.26 -4.82 135.00 126.70 3f6u n PRO 54 Ca -0.11 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.10 3f6u n PRO 54 Cb 0.56 -1.26 -0.12 0.00 -0.04 0.00 0.00 33.50 32.64 3f6u n PRO 54 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3f6u s LEU 55 N 0.00 2.35 0.69 1.53 1.43 -1.26 -5.13 118.68 118.29 3f6u s LEU 55 Ca 0.00 -0.75 -0.14 0.00 -1.03 0.00 0.00 54.13 52.20 3f6u s LEU 55 Cb 0.00 -0.92 0.02 0.00 0.03 0.00 0.00 46.19 45.31 3f6u s LEU 55 CO 0.00 0.05 1.13 -1.61 0.23 0.00 0.00 176.35 176.15 3f6u s GLU 56 N -2.21 2.55 0.11 1.70 2.02 -1.26 -5.07 118.70 116.53 3f6u s GLU 56 Ca 0.11 1.45 0.01 0.00 0.02 0.00 0.00 54.97 56.56 3f6u s GLU 56 Cb -0.09 -1.91 -0.04 0.00 0.10 0.00 0.00 34.13 32.19 3f6u s GLU 56 CO 0.05 -1.46 -0.02 -3.38 0.02 0.00 0.00 175.26 170.48 3f6u s HIS 57 N -2.32 0.86 0.28 1.61 -3.43 -1.26 -5.09 115.29 105.94 3f6u s HIS 57 Ca 0.68 -1.03 0.02 0.00 -0.80 0.00 0.00 55.06 53.93 3f6u s HIS 57 Cb -0.22 -0.52 0.62 0.00 -1.43 0.00 0.00 32.58 31.03 3f6u s HIS 57 CO 0.44 -0.28 1.77 -1.00 -2.00 0.00 0.00 174.74 173.67 3f6u h PRO 58 N 2.94 0.68 -6.10 -0.38 0.13 -1.92 -3.46 132.00 123.88 3f6u h PRO 58 Ca -0.35 -0.04 -0.54 0.00 -0.87 0.00 0.00 66.00 64.20 3f6u h PRO 58 Cb 1.17 -0.15 -0.04 0.00 0.13 0.00 0.00 31.00 32.11 3f6u h PRO 58 CO 0.64 0.45 -0.31 0.00 -0.23 0.00 0.00 178.00 178.54 3f6u h ALA 60 N 0.80 -0.32 -3.03 0.00 0.00 -1.95 -3.43 119.26 111.34 3f6u h ALA 60 Ca -0.38 -0.19 -0.56 0.00 0.00 0.00 0.00 54.91 53.79 3f6u h ALA 60 Cb 1.29 0.12 0.16 0.00 0.00 0.00 0.00 17.79 19.36 3f6u h ALA 60 CO 0.56 -0.36 0.44 0.45 0.00 0.00 0.00 179.25 180.34 3f6u n SER 61 N -4.99 1.80 0.06 0.00 2.88 -1.26 -4.93 113.62 107.19 3f6u n SER 61 Ca -0.07 0.80 0.02 0.00 -1.33 0.00 0.00 58.87 58.29 3f6u n SER 61 Cb 0.24 -1.53 0.36 0.00 -0.75 0.00 0.00 64.21 62.53 3f6u n SER 61 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 3f6u h LEU 62 N 0.39 0.35 -3.19 2.46 5.85 -1.93 -3.11 115.31 116.13 3f6u h LEU 62 Ca -0.50 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.15 3f6u h LEU 62 Cb 1.34 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.28 3f6u h LEU 62 CO 0.52 0.45 0.00 0.00 -0.34 0.00 0.00 178.44 179.07 3f6u n GLY 65 N -0.51 -0.48 0.00 0.00 0.00 -1.26 -4.82 105.19 98.11 3f6u n GLY 65 Ca -0.14 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3f6u n GLY 65 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3f6u n HIS 66 N -4.68 0.00 -3.75 1.61 8.25 -0.63 -5.05 115.22 110.97 3f6u n HIS 66 Ca 0.00 -0.21 0.00 0.00 -0.26 0.00 0.00 57.72 57.25 3f6u n HIS 66 Cb 0.55 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.63 3f6u n HIS 66 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3f6u n GLY 67 N -0.21 0.64 3.19 -1.41 0.00 -1.24 0.09 105.19 106.25 3f6u n GLY 67 Ca 0.00 -0.80 -0.12 0.00 0.00 0.00 0.00 46.02 45.10 3f6u n GLY 67 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3f6u s THR 68 N -2.12 0.08 -0.67 2.61 -4.23 -0.10 -4.61 115.64 106.60 3f6u s THR 68 Ca 0.00 -0.68 -0.27 0.00 -1.18 0.00 0.00 61.69 59.56 3f6u s THR 68 Cb 0.00 -0.72 0.01 0.00 1.34 0.00 0.00 72.50 73.14 3f6u s THR 68 CO 0.00 -0.38 1.47 0.00 -0.54 0.00 0.00 174.62 175.17 3f6u n ILE 70 N 6.70 -0.03 -0.97 0.00 3.06 -1.24 -4.86 119.36 122.01 3f6u n ILE 70 Ca 0.10 -0.39 -0.33 0.00 -2.50 0.00 0.00 62.75 59.62 3f6u n ILE 70 Cb 0.50 -1.29 0.03 0.00 0.54 0.00 0.00 39.64 39.41 3f6u n ILE 70 CO 0.00 0.00 0.00 -0.90 -2.50 0.00 0.00 176.55 173.15 3f6u n ASP 71 N 12.34 -4.80 -0.58 9.51 5.68 -1.26 -4.78 116.55 132.67 3f6u n ASP 71 Ca 0.55 0.30 0.00 0.00 -0.50 0.00 0.00 54.79 55.14 3f6u n ASP 71 Cb 0.26 -0.71 0.00 0.00 -1.14 0.00 0.00 41.12 39.52 3f6u n ASP 71 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3f6u n GLY 72 N 2.88 0.57 0.43 6.12 0.00 -1.26 -5.06 105.19 108.87 3f6u n GLY 72 Ca 0.01 -0.72 -0.17 0.00 0.00 0.00 0.00 46.02 45.14 3f6u n GLY 72 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3f6u h ILE 73 N 0.58 0.10 0.00 -0.61 2.04 -2.05 -3.44 117.51 114.13 3f6u h ILE 73 Ca 0.00 -0.16 -0.03 0.00 1.00 0.00 0.00 64.86 65.67 3f6u h ILE 73 Cb 0.00 0.12 -0.04 0.00 -0.74 0.00 0.00 36.82 36.16 3f6u h ILE 73 CO 0.00 0.01 -0.12 0.61 0.00 0.00 0.00 178.15 178.65 3f6u n GLY 74 N -1.14 0.85 3.70 5.37 0.00 -1.26 -5.14 105.19 107.57 3f6u n GLY 74 Ca -0.14 -0.02 -0.25 0.00 0.00 0.00 0.00 46.02 45.61 3f6u n GLY 74 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3f6u s SER 75 N -0.34 4.30 -0.35 1.61 0.01 -1.26 -5.12 113.70 112.55 3f6u s SER 75 Ca 0.01 -1.12 0.03 0.00 1.31 0.00 0.00 55.95 56.17 3f6u s SER 75 Cb 0.01 -0.48 0.15 0.00 0.21 0.00 0.00 66.02 65.92 3f6u s SER 75 CO -0.00 -0.49 0.38 0.72 0.41 0.00 0.00 173.24 174.26 3f6u s PHE 76 N -2.61 -0.45 0.21 2.43 -0.71 -1.26 -4.71 117.98 110.89 3f6u s PHE 76 Ca 0.39 -0.57 0.09 0.00 -1.04 0.00 0.00 56.93 55.80 3f6u s PHE 76 Cb 0.05 -0.36 -0.04 0.00 -1.21 0.00 0.00 43.02 41.45 3f6u s PHE 76 CO 0.21 -0.97 -0.03 -1.12 -1.34 0.00 0.00 175.22 171.97 3f6u s SER 77 N 1.70 4.53 -0.01 1.98 0.01 -1.26 -5.05 113.70 115.60 3f6u s SER 77 Ca 0.15 -0.55 -0.19 0.00 1.31 0.00 0.00 55.95 56.67 3f6u s SER 77 Cb -0.14 -0.86 -0.05 0.00 0.21 0.00 0.00 66.02 65.17 3f6u s SER 77 CO -0.11 0.06 0.53 0.00 0.41 0.00 0.00 173.24 174.13 3f6u s ASP 79 N -0.39 6.11 0.16 0.00 2.15 -0.50 -4.95 116.67 119.25 3f6u s ASP 79 Ca 0.28 -2.68 -0.30 0.00 0.43 0.00 0.00 52.55 50.27 3f6u s ASP 79 Cb -0.18 -2.06 -0.08 0.00 -0.30 0.00 0.00 42.92 40.30 3f6u s ASP 79 CO 0.15 -0.51 1.30 0.00 -0.17 0.00 0.00 175.17 175.95 3f6u n ARG 81 N 3.10 -1.33 -2.11 0.00 1.74 0.11 -4.86 116.66 113.31 3f6u n ARG 81 Ca 0.08 -0.37 -0.41 0.00 -0.77 0.00 0.00 57.85 56.37 3f6u n ARG 81 Cb 0.43 -1.63 -0.03 0.00 -1.02 0.00 0.00 32.46 30.22 3f6u n ARG 81 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 3f6u s SER 82 N -1.76 6.77 0.00 0.55 0.01 -1.26 -2.86 113.70 115.15 3f6u s SER 82 Ca 0.54 2.51 0.00 0.00 1.31 0.00 0.00 55.95 60.31 3f6u s SER 82 Cb -0.10 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.52 3f6u s SER 82 CO 0.66 -0.63 0.00 0.61 0.41 0.00 0.00 173.24 174.29 3f6u n GLY 83 N 2.53 0.25 3.58 3.44 0.00 -1.26 -5.05 105.19 108.69 3f6u n GLY 83 Ca 0.08 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.84 3f6u n GLY 83 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3f6u s TRP 84 N -2.07 2.61 0.33 1.61 0.52 -1.14 0.24 118.94 121.05 3f6u s TRP 84 Ca 0.00 -0.24 -0.18 0.00 0.02 0.00 0.00 56.10 55.71 3f6u s TRP 84 Cb 0.00 -1.22 0.04 0.00 -1.15 0.00 0.00 33.47 31.13 3f6u s TRP 84 CO 0.00 0.57 0.74 -1.83 0.02 0.00 0.00 176.95 176.45 3f6u s GLU 85 N -3.16 2.02 0.00 4.98 -1.05 0.96 -4.79 118.70 117.65 3f6u s GLU 85 Ca 0.27 -1.25 0.00 0.00 -0.15 0.00 0.00 54.97 53.85 3f6u s GLU 85 Cb -0.08 0.61 0.00 0.00 -0.44 0.00 0.00 34.13 34.22 3f6u s GLU 85 CO 0.16 -0.93 0.00 0.41 0.95 0.00 0.00 175.26 175.85 3f6u n GLY 86 N -0.50 1.69 0.34 -3.83 0.00 -1.26 -0.91 105.19 100.73 3f6u n GLY 86 Ca -0.06 -2.02 -0.01 0.00 0.00 0.00 0.00 46.02 43.92 3f6u n GLY 86 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3f6u h ARG 87 N 0.00 1.02 -0.15 1.61 2.43 -2.00 -2.45 114.38 114.85 3f6u h ARG 87 Ca 0.00 -0.10 -0.06 0.00 -0.81 0.00 0.00 59.98 59.01 3f6u h ARG 87 Cb 0.00 -0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 29.31 3f6u h ARG 87 CO 0.00 0.73 -0.19 1.19 -1.51 0.00 0.00 179.97 180.19 3f6u n PHE 88 N -4.37 0.47 -2.94 2.20 3.01 -1.26 -4.51 117.46 110.06 3f6u n PHE 88 Ca 0.08 -1.34 -0.22 0.00 1.01 0.00 0.00 57.45 56.98 3f6u n PHE 88 Cb 0.08 -0.31 0.02 0.00 -0.01 0.00 0.00 39.48 39.26 3f6u n PHE 88 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3f6u n GLN 90 N -3.76 0.47 -3.22 0.00 0.00 -1.19 -4.59 117.38 105.09 3f6u n GLN 90 Ca -0.12 -0.01 -0.39 0.00 0.00 0.00 0.00 57.00 56.48 3f6u n GLN 90 Cb 0.62 -1.65 -0.06 0.00 0.00 0.00 0.00 30.24 29.15 3f6u n GLN 90 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 3f6u s ARG 91 N -3.32 4.29 -0.11 2.61 0.52 -0.08 -4.95 118.95 117.90 3f6u s ARG 91 Ca -0.00 0.76 -0.11 0.00 -0.52 0.00 0.00 55.73 55.86 3f6u s ARG 91 Cb 0.13 -3.30 -0.05 0.00 0.52 0.00 0.00 34.95 32.25 3f6u s ARG 91 CO 0.82 0.48 0.24 -2.00 0.02 0.00 0.00 175.30 174.86 3f6u s GLU 92 N -0.57 3.85 -0.08 3.54 2.12 -1.26 -0.03 118.70 126.27 3f6u s GLU 92 Ca 0.31 0.04 -0.04 0.00 0.36 0.00 0.00 54.97 55.64 3f6u s GLU 92 Cb -0.19 -3.29 0.04 0.00 0.26 0.00 0.00 34.13 30.96 3f6u s GLU 92 CO 0.18 0.56 0.17 0.54 -0.54 0.00 0.00 175.26 176.18 3f6u s VAL 93 N -0.49 -0.05 0.13 3.70 0.11 0.14 -4.62 120.40 119.33 3f6u s VAL 93 Ca 0.16 0.17 -0.30 0.00 -2.93 0.00 0.00 61.98 59.08 3f6u s VAL 93 Cb -0.13 -0.28 -0.06 0.00 -1.53 0.00 0.00 36.38 34.38 3f6u s VAL 93 CO 0.05 0.07 1.01 -0.94 -3.33 0.00 0.00 175.10 171.96 3f6u s SER 94 N 1.18 7.42 0.00 3.54 1.04 -1.10 -4.28 113.70 121.50 3f6u s SER 94 Ca -0.09 1.90 0.02 0.00 0.48 0.00 0.00 55.95 58.26 3f6u s SER 94 Cb -0.11 -2.59 0.02 0.00 0.10 0.00 0.00 66.02 63.43 3f6u s SER 94 CO -0.07 -0.12 0.57 2.22 0.98 0.00 0.00 173.24 176.83 3f6u n PHE 95 N 2.65 0.00 -0.04 5.02 -1.74 -1.26 -4.15 117.46 117.94 3f6u n PHE 95 Ca 0.02 0.00 0.03 0.00 -0.56 0.00 0.00 57.45 56.94 3f6u n PHE 95 Cb 0.48 0.00 -0.15 0.00 1.52 0.00 0.00 39.48 41.33 3f6u n PHE 95 CO 0.00 0.00 0.00 1.28 -0.56 0.00 0.00 176.76 177.48 3f6u n LEU 96 N 0.12 0.00 -4.13 5.98 4.77 -1.26 -3.89 117.00 118.60 3f6u n LEU 96 Ca 0.01 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.83 3f6u n LEU 96 Cb 0.06 0.17 -0.04 0.00 -2.33 0.00 0.00 43.42 41.27 3f6u n LEU 96 CO 0.01 0.17 0.11 0.54 -1.33 0.00 0.00 177.39 176.89 3f6u s ASN 97 N -4.63 1.19 -0.30 -1.43 2.20 -1.26 -3.03 114.94 107.68 3f6u s ASN 97 Ca -0.08 -1.59 0.11 0.00 -0.94 0.00 0.00 52.86 50.36 3f6u s ASN 97 Cb 0.10 0.67 0.77 0.00 -2.00 0.00 0.00 41.25 40.79 3f6u s ASN 97 CO 0.79 -1.29 1.79 0.00 -2.94 0.00 0.00 177.10 175.45 3f6u n SER 99 N 0.12 1.10 -3.60 0.00 3.41 -1.26 -4.15 113.62 109.24 3f6u n SER 99 Ca 0.37 -1.18 -0.28 0.00 -0.26 0.00 0.00 58.87 57.52 3f6u n SER 99 Cb 1.33 0.02 -0.16 0.00 -0.26 0.00 0.00 64.21 65.15 3f6u n SER 99 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3f6u s LEU 100 N -2.19 0.75 -1.22 1.04 1.43 -1.26 -4.81 118.68 112.42 3f6u s LEU 100 Ca 0.34 -1.12 -0.07 0.00 -1.03 0.00 0.00 54.13 52.25 3f6u s LEU 100 Cb 0.21 -0.41 0.01 0.00 0.03 0.00 0.00 46.19 46.03 3f6u s LEU 100 CO 0.40 -0.40 1.06 -0.67 0.23 0.00 0.00 176.35 176.97 3f6u n ASP 101 N 5.19 -5.23 -2.35 2.29 2.03 -1.26 -2.20 116.55 115.02 3f6u n ASP 101 Ca -0.06 -0.51 -0.19 0.00 0.52 0.00 0.00 54.79 54.55 3f6u n ASP 101 Cb 0.44 -4.71 -0.01 0.00 -0.72 0.00 0.00 41.12 36.12 3f6u n ASP 101 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 3f6u n ASN 102 N -2.73 -5.34 0.00 1.67 5.15 -1.26 -0.48 115.26 112.27 3f6u n ASN 102 Ca -0.05 0.07 0.00 0.00 -0.60 0.00 0.00 54.58 54.00 3f6u n ASN 102 Cb 0.58 -4.49 0.00 0.00 -0.53 0.00 0.00 39.78 35.34 3f6u n ASN 102 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3f6u n GLY 103 N -0.92 0.96 2.41 8.20 0.00 -0.94 -1.94 105.19 112.96 3f6u n GLY 103 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.80 3f6u n GLY 103 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f6u n GLY 104 N -2.02 2.86 3.75 -0.02 0.00 0.37 -4.66 105.19 105.47 3f6u n GLY 104 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 3f6u n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f6u h THR 106 N 1.53 0.77 0.00 0.00 2.02 -1.80 -3.45 112.91 111.98 3f6u h THR 106 Ca -0.51 -2.56 0.00 0.00 0.77 0.00 0.00 66.41 64.11 3f6u h THR 106 Cb 1.29 2.47 0.00 0.00 -1.74 0.00 0.00 68.15 70.18 3f6u h THR 106 CO 0.58 0.67 0.00 1.41 0.37 0.00 0.00 175.52 178.55 3f6u n HIS 107 N -3.24 0.00 -3.65 3.16 -0.00 -1.26 -4.98 115.22 105.25 3f6u n HIS 107 Ca -0.23 0.00 -0.34 0.00 -0.00 0.00 0.00 57.72 57.15 3f6u n HIS 107 Cb 1.05 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 30.99 3f6u n HIS 107 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.34 177.05 3f6u s TYR 108 N 0.37 3.57 -0.11 4.41 2.02 -0.84 -4.98 117.35 121.79 3f6u s TYR 108 Ca 0.00 0.69 0.03 0.00 -0.37 0.00 0.00 57.07 57.42 3f6u s TYR 108 Cb 0.00 -2.08 0.01 0.00 -0.40 0.00 0.00 41.96 39.48 3f6u s TYR 108 CO 0.00 0.54 -0.22 0.00 -1.57 0.00 0.00 175.55 174.30 3f6u s LEU 110 N 0.58 2.28 -0.31 0.00 1.43 -0.52 -4.98 118.68 117.16 3f6u s LEU 110 Ca -0.14 -0.52 -0.25 0.00 -1.03 0.00 0.00 54.13 52.19 3f6u s LEU 110 Cb -0.17 -1.49 0.01 0.00 0.03 0.00 0.00 46.19 44.57 3f6u s LEU 110 CO 0.04 0.12 0.87 -1.61 0.23 0.00 0.00 176.35 176.00 3f6u s GLU 111 N 0.61 3.98 0.35 1.70 2.02 -1.26 -1.30 118.70 124.80 3f6u s GLU 111 Ca -0.11 0.71 0.00 0.00 0.02 0.00 0.00 54.97 55.59 3f6u s GLU 111 Cb -0.16 -3.74 0.07 0.00 0.10 0.00 0.00 34.13 30.40 3f6u s GLU 111 CO 0.03 -0.76 0.48 0.39 0.02 0.00 0.00 175.26 175.42 3f6u n GLU 112 N 6.41 0.31 0.15 1.61 -0.58 0.51 -4.99 120.64 124.07 3f6u n GLU 112 Ca 0.06 -1.33 -0.06 0.00 -0.42 0.00 0.00 57.16 55.41 3f6u n GLU 112 Cb 0.48 -0.31 -0.03 0.00 -0.57 0.00 0.00 31.44 31.02 3f6u n GLU 112 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3f6u h VAL 113 N -0.45 0.00 -0.48 2.62 2.07 -1.97 -3.36 116.25 114.69 3f6u h VAL 113 Ca -0.16 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.35 3f6u h VAL 113 Cb 0.59 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.36 3f6u h VAL 113 CO 0.17 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.37 3f6u n GLY 114 N -1.05 2.90 3.49 2.17 0.00 -1.26 -4.99 105.19 106.46 3f6u n GLY 114 Ca -0.05 -0.67 -0.09 0.00 0.00 0.00 0.00 46.02 45.21 3f6u n GLY 114 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3f6u s TRP 115 N -1.47 0.37 -0.02 1.61 -2.14 -1.23 -4.79 118.94 111.27 3f6u s TRP 115 Ca 0.38 -0.72 0.00 0.00 2.66 0.00 0.00 56.10 58.42 3f6u s TRP 115 Cb 0.23 0.10 -0.04 0.00 -3.10 0.00 0.00 33.47 30.67 3f6u s TRP 115 CO 0.20 -0.89 0.03 -0.98 -2.66 0.00 0.00 176.95 172.65 3f6u s ARG 116 N -4.00 2.92 0.05 3.25 1.04 -1.17 -0.36 118.95 120.69 3f6u s ARG 116 Ca 0.21 -0.53 0.06 0.00 -1.04 0.00 0.00 55.73 54.43 3f6u s ARG 116 Cb 0.01 -2.76 -0.03 0.00 -2.04 0.00 0.00 34.95 30.13 3f6u s ARG 116 CO 0.06 0.65 -0.18 -0.98 -0.04 0.00 0.00 175.30 174.81 3f6u s ARG 117 N -1.51 1.13 0.35 3.89 1.70 -0.42 -4.92 118.95 119.17 3f6u s ARG 117 Ca 0.20 -0.90 -0.15 0.00 -0.47 0.00 0.00 55.73 54.41 3f6u s ARG 117 Cb -0.12 -1.22 -0.09 0.00 -0.57 0.00 0.00 34.95 32.96 3f6u s ARG 117 CO 0.10 0.30 0.76 0.00 -1.08 0.00 0.00 175.30 175.39 3f6u n SER 119 N -0.59 0.19 -4.04 0.00 3.41 -0.26 -4.92 113.62 107.41 3f6u n SER 119 Ca 0.04 -0.39 -0.09 0.00 -0.26 0.00 0.00 58.87 58.16 3f6u n SER 119 Cb 0.53 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.38 3f6u n SER 119 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3f6u s ALA 121 N -2.38 3.52 -0.12 0.00 0.00 -1.26 -4.88 121.76 116.64 3f6u s ALA 121 Ca -0.06 1.16 -0.19 0.00 0.00 0.00 0.00 51.96 52.87 3f6u s ALA 121 Cb -0.03 -3.47 -0.09 0.00 0.00 0.00 0.00 23.12 19.53 3f6u s ALA 121 CO -0.04 -0.56 0.58 -2.30 0.00 0.00 0.00 175.76 173.44 3f6u n PRO 122 N 1.88 0.00 -0.02 0.00 -0.02 -1.26 -0.48 135.00 135.09 3f6u n PRO 122 Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.52 3f6u n PRO 122 Cb 0.42 -0.64 0.00 0.00 -0.02 0.00 0.00 33.50 33.26 3f6u n PRO 122 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3f6u n GLY 123 N 1.22 1.19 3.69 -1.23 0.00 -1.26 -4.42 105.19 104.38 3f6u n GLY 123 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 3f6u n GLY 123 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3f6u s TYR 124 N -2.43 3.08 0.23 1.61 1.51 0.37 0.14 117.35 121.86 3f6u s TYR 124 Ca 0.00 0.08 0.09 0.00 -1.01 0.00 0.00 57.07 56.22 3f6u s TYR 124 Cb 0.00 -1.66 -0.04 0.00 -0.11 0.00 0.00 41.96 40.15 3f6u s TYR 124 CO 0.00 0.47 -0.01 0.15 -1.11 0.00 0.00 175.55 175.06 3f6u s LYS 125 N -1.68 2.32 -0.18 -0.62 1.02 0.30 -4.66 119.74 116.24 3f6u s LYS 125 Ca 0.21 -1.30 -0.19 0.00 0.02 0.00 0.00 55.97 54.71 3f6u s LYS 125 Cb -0.12 -2.23 -0.03 0.00 -0.52 0.00 0.00 37.83 34.93 3f6u s LYS 125 CO 0.12 0.40 0.55 -1.17 -0.92 0.00 0.00 175.35 174.33 3f6u s LEU 126 N -3.38 4.17 0.00 3.17 2.96 -1.26 0.24 118.68 124.59 3f6u s LEU 126 Ca 0.30 0.77 0.00 0.00 -0.22 0.00 0.00 54.13 54.97 3f6u s LEU 126 Cb -0.08 -2.78 0.00 0.00 0.50 0.00 0.00 46.19 43.84 3f6u s LEU 126 CO 0.19 -0.17 0.00 0.61 -1.32 0.00 0.00 176.35 175.66 3f6u n GLY 127 N 3.73 -2.17 0.10 7.98 0.00 0.78 -4.91 105.19 110.69 3f6u n GLY 127 Ca -0.04 -1.46 -0.02 0.00 0.00 0.00 0.00 46.02 44.50 3f6u n GLY 127 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3f6u h ASP 128 N -0.55 0.00 -0.77 1.61 5.19 -1.97 -2.45 116.42 117.48 3f6u h ASP 128 Ca 0.00 0.00 0.30 0.00 -0.62 0.00 0.00 57.03 56.71 3f6u h ASP 128 Cb 0.00 0.00 -0.12 0.00 0.18 0.00 0.00 39.33 39.39 3f6u h ASP 128 CO 0.00 0.75 0.45 -0.67 -3.12 0.00 0.00 179.24 176.64 3f6u n ASP 129 N -3.28 0.21 -0.83 6.45 2.03 -1.26 -4.92 116.55 114.95 3f6u n ASP 129 Ca 0.01 1.09 -0.10 0.00 0.52 0.00 0.00 54.79 56.31 3f6u n ASP 129 Cb 0.84 -0.53 -0.04 0.00 -0.72 0.00 0.00 41.12 40.66 3f6u n ASP 129 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 3f6u n LEU 130 N -4.42 -0.32 0.00 -2.67 4.77 -0.92 -4.76 117.00 108.68 3f6u n LEU 130 Ca 0.27 0.24 0.00 0.00 -0.03 0.00 0.00 56.01 56.48 3f6u n LEU 130 Cb 0.95 -2.33 0.00 0.00 -2.33 0.00 0.00 43.42 39.71 3f6u n LEU 130 CO 0.04 -0.87 -0.42 0.18 -1.33 0.00 0.00 177.39 174.99 3f6u n LEU 131 N -1.18 0.42 -4.83 2.23 4.77 -1.26 -4.39 117.00 112.75 3f6u n LEU 131 Ca -0.10 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.53 3f6u n LEU 131 Cb 0.50 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.53 3f6u n LEU 131 CO 0.15 -0.00 0.32 -1.10 -1.33 0.00 0.00 177.39 175.43 3f6u s GLN 132 N -1.97 4.10 -0.06 3.23 -0.21 -1.26 -2.59 119.66 120.89 3f6u s GLN 132 Ca 0.00 0.66 -0.02 0.00 0.02 0.00 0.00 55.36 56.03 3f6u s GLN 132 Cb 0.00 -2.88 -0.03 0.00 1.00 0.00 0.00 33.01 31.09 3f6u s GLN 132 CO 0.00 0.42 0.03 0.00 -2.12 0.00 0.00 175.29 173.62 3f6u s HIS 134 N -0.98 1.08 0.21 0.00 0.09 0.14 -4.92 115.29 110.90 3f6u s HIS 134 Ca 0.16 -0.48 -0.32 0.00 -0.00 0.00 0.00 55.06 54.42 3f6u s HIS 134 Cb -0.12 -0.61 -0.14 0.00 -0.00 0.00 0.00 32.58 31.71 3f6u s HIS 134 CO 0.06 0.02 1.43 -2.30 -0.00 0.00 0.00 174.74 173.95 3f6u n PRO 135 N 1.30 1.97 -0.58 8.40 -0.02 -1.26 -0.54 135.00 144.26 3f6u n PRO 135 Ca -0.21 0.70 0.05 0.00 -2.02 0.00 0.00 63.50 62.02 3f6u n PRO 135 Cb 0.54 -2.38 0.20 0.00 -0.02 0.00 0.00 33.50 31.85 3f6u n PRO 135 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3f6u n ALA 136 N 2.29 3.64 -2.69 3.55 0.00 0.37 -4.69 120.51 122.98 3f6u n ALA 136 Ca 0.13 -3.21 -0.13 0.00 0.00 0.00 0.00 53.44 50.24 3f6u n ALA 136 Cb 0.30 -0.42 -0.07 0.00 0.00 0.00 0.00 19.45 19.26 3f6u n ALA 136 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3f6u s VAL 137 N -3.20 0.00 0.19 0.00 -7.23 -1.18 -4.93 120.40 104.05 3f6u s VAL 137 Ca 0.39 -1.72 0.06 0.00 -1.81 0.00 0.00 61.98 58.90 3f6u s VAL 137 Cb 0.37 -2.47 -0.12 0.00 0.56 0.00 0.00 36.38 34.71 3f6u s VAL 137 CO -0.05 0.00 1.43 0.50 -0.31 0.00 0.00 175.10 176.68 3f6u h LYS 138 N 2.29 0.09 -2.29 4.82 3.11 -1.95 -3.37 116.57 119.27 3f6u h LYS 138 Ca -0.29 -0.09 -0.58 0.00 -2.81 0.00 0.00 60.65 56.87 3f6u h LYS 138 Cb 1.24 0.03 -0.40 0.00 -1.00 0.00 0.00 32.23 32.10 3f6u h LYS 138 CO 0.42 0.85 -0.89 1.19 -2.81 0.00 0.00 179.45 178.21 3f6u n PHE 139 N -3.64 0.83 -2.03 1.91 3.72 -1.26 -5.12 117.46 111.88 3f6u n PHE 139 Ca -0.02 -3.72 -0.36 0.00 -0.05 0.00 0.00 57.45 53.30 3f6u n PHE 139 Cb 0.77 -0.27 0.03 0.00 -0.94 0.00 0.00 39.48 39.07 3f6u n PHE 139 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 3f6u s PRO 140 N -1.17 3.00 0.79 -1.08 0.04 -1.26 -4.99 135.00 130.33 3f6u s PRO 140 Ca 0.34 1.80 -0.13 0.00 0.04 0.00 0.00 61.00 63.06 3f6u s PRO 140 Cb 0.10 -1.94 0.07 0.00 0.04 0.00 0.00 34.50 32.78 3f6u s PRO 140 CO -0.12 -1.18 1.17 0.00 0.04 0.00 0.00 177.00 176.91 3f6u n GLY 142 N 0.05 1.23 2.58 0.00 0.00 -1.26 -4.96 105.19 102.83 3f6u n GLY 142 Ca 0.12 -0.41 -0.27 0.00 0.00 0.00 0.00 46.02 45.46 3f6u n GLY 142 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3f6u s ARG 143 N -3.25 0.16 0.49 1.61 3.52 -1.26 -5.14 118.95 115.07 3f6u s ARG 143 Ca 0.00 -0.34 -0.22 0.00 -0.13 0.00 0.00 55.73 55.04 3f6u s ARG 143 Cb 0.00 -1.34 -0.07 0.00 -1.56 0.00 0.00 34.95 31.98 3f6u s ARG 143 CO 0.00 -0.90 1.19 -1.25 -0.81 0.00 0.00 175.30 173.53 3f6u s PRO 144 N 2.14 3.58 -0.95 5.12 0.04 -1.26 -4.88 135.00 138.78 3f6u s PRO 144 Ca 0.07 1.82 -0.18 0.00 0.04 0.00 0.00 61.00 62.75 3f6u s PRO 144 Cb -0.16 -2.31 0.15 0.00 0.04 0.00 0.00 34.50 32.22 3f6u s PRO 144 CO -0.27 -0.72 1.12 -1.58 0.04 0.00 0.00 177.00 175.59 3f6u s TRP 145 N -1.54 3.24 -2.32 0.56 0.51 -1.26 -5.21 118.94 112.92 3f6u s TRP 145 Ca 0.67 -1.55 0.29 0.00 -2.12 0.00 0.00 56.10 53.39 3f6u s TRP 145 Cb -0.30 -4.23 1.35 0.00 -0.81 0.00 0.00 33.47 29.48 3f6u s TRP 145 CO 0.35 -1.42 1.92 1.63 -0.51 0.00 0.00 176.95 178.92