#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3df1 h ARG 2 N 0.00 1.14 0.00 0.00 -0.00 -1.90 -3.38 114.38 110.24 3df1 h ARG 2 Ca 0.00 -0.07 0.00 0.00 -0.50 0.00 0.00 59.98 59.41 3df1 h ARG 2 Cb 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 29.97 29.71 3df1 h ARG 2 CO 0.00 0.75 0.00 -0.89 0.00 0.00 0.00 179.97 179.83 3df1 n ILE 3 N -4.44 0.00 1.38 2.04 5.41 -1.26 0.48 119.36 122.97 3df1 n ILE 3 Ca 0.12 0.00 0.14 0.00 1.00 0.00 0.00 62.75 64.01 3df1 n ILE 3 Cb 0.10 0.00 0.45 0.00 -0.71 0.00 0.00 39.64 39.48 3df1 n ILE 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3df1 n ALA 4 N 6.82 2.78 0.00 -1.39 0.00 -1.26 -4.79 120.51 122.66 3df1 n ALA 4 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.00 3df1 n ALA 4 Cb 0.00 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.31 3df1 n ALA 4 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3df1 n GLY 5 N 1.25 2.31 5.01 0.00 0.00 0.18 -4.91 105.19 109.03 3df1 n GLY 5 Ca 0.16 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.72 3df1 n GLY 5 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3df1 n ILE 6 N 1.99 0.00 -1.68 -0.61 5.41 -1.26 -4.86 119.36 118.36 3df1 n ILE 6 Ca 0.00 0.00 -0.49 0.00 1.00 0.00 0.00 62.75 63.26 3df1 n ILE 6 Cb 0.00 0.00 -0.05 0.00 -0.71 0.00 0.00 39.64 38.88 3df1 n ILE 6 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 3df1 n ASN 7 N 1.87 3.12 -2.90 4.38 5.03 -1.26 -4.87 115.26 120.62 3df1 n ASN 7 Ca 0.00 1.02 -0.26 0.00 0.87 0.00 0.00 54.58 56.21 3df1 n ASN 7 Cb 0.00 -1.35 -0.03 0.00 -1.02 0.00 0.00 39.78 37.37 3df1 n ASN 7 CO 0.00 0.00 0.00 2.30 -1.83 0.00 0.00 177.26 177.73 3df1 n ILE 8 N 4.43 2.85 -1.82 2.41 -5.35 -1.26 -4.35 119.36 116.27 3df1 n ILE 8 Ca 0.21 -5.46 -0.35 0.00 -0.27 0.00 0.00 62.75 56.88 3df1 n ILE 8 Cb 0.27 -1.32 -0.03 0.00 -1.74 0.00 0.00 39.64 36.81 3df1 n ILE 8 CO 0.00 0.00 0.00 -2.16 -1.76 0.00 0.00 176.55 172.63 3df1 s PRO 9 N -3.44 2.34 0.18 6.28 0.04 -1.26 -4.73 135.00 134.41 3df1 s PRO 9 Ca 0.48 0.85 0.04 0.00 0.04 0.00 0.00 61.00 62.41 3df1 s PRO 9 Cb 0.30 -4.54 -0.05 0.00 0.04 0.00 0.00 34.50 30.25 3df1 s PRO 9 CO -0.14 -3.12 -0.04 -0.51 0.04 0.00 0.00 177.00 173.23 3df1 s ASP 10 N 9.94 1.67 0.00 6.66 1.01 -1.26 -4.76 116.67 129.94 3df1 s ASP 10 Ca 0.81 -1.12 0.00 0.00 0.71 0.00 0.00 52.55 52.95 3df1 s ASP 10 Cb -0.14 0.03 0.00 0.00 1.01 0.00 0.00 42.92 43.82 3df1 s ASP 10 CO 0.20 -0.45 0.00 1.57 0.21 0.00 0.00 175.17 176.70 3df1 n HIS 11 N -0.28 0.00 -0.57 4.23 -0.00 -1.26 -4.89 115.22 112.44 3df1 n HIS 11 Ca -0.08 0.00 -0.29 0.00 0.46 0.00 0.00 57.72 57.82 3df1 n HIS 11 Cb 0.62 0.00 0.24 0.00 -0.12 0.00 0.00 29.99 30.74 3df1 n HIS 11 CO 0.00 0.00 0.00 0.15 0.46 0.00 0.00 176.34 176.95 3df1 s LYS 12 N 0.00 -0.75 0.96 1.57 -0.14 -1.26 -4.56 119.74 115.56 3df1 s LYS 12 Ca 0.00 0.90 -0.13 0.00 -1.36 0.00 0.00 55.97 55.38 3df1 s LYS 12 Cb 0.00 -1.57 0.01 0.00 -1.68 0.00 0.00 37.83 34.60 3df1 s LYS 12 CO 0.00 -3.63 0.24 0.72 -0.76 0.00 0.00 175.35 171.93 3df1 n HIS 13 N -4.86 -1.93 0.09 3.18 8.25 -1.26 -3.82 115.22 114.87 3df1 n HIS 13 Ca 0.04 0.20 -0.03 0.00 -0.26 0.00 0.00 57.72 57.66 3df1 n HIS 13 Cb 0.54 -1.74 -0.02 0.00 1.12 0.00 0.00 29.99 29.90 3df1 n HIS 13 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3df1 h ALA 14 N -1.50 -1.02 -1.30 -1.41 0.00 0.90 -2.32 119.26 112.60 3df1 h ALA 14 Ca -0.44 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3df1 h ALA 14 Cb 1.29 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.16 3df1 h ALA 14 CO 0.33 -1.00 0.00 0.28 0.00 0.00 0.00 179.25 178.86 3df1 n VAL 15 N -2.63 0.00 -0.55 0.00 0.31 -1.24 -1.28 118.33 112.94 3df1 n VAL 15 Ca -0.03 1.28 0.45 0.00 -0.01 0.00 0.00 64.34 66.03 3df1 n VAL 15 Cb 0.09 -1.93 0.76 0.00 -0.91 0.00 0.00 33.84 31.84 3df1 n VAL 15 CO 0.00 0.00 0.00 -0.29 -1.32 0.00 0.00 176.83 175.22 3df1 h ILE 16 N 0.00 0.12 0.74 2.52 -0.00 -1.88 0.63 117.51 119.64 3df1 h ILE 16 Ca 0.00 -0.01 -0.04 0.00 -0.00 0.00 0.00 64.86 64.81 3df1 h ILE 16 Cb 0.00 0.09 0.01 0.00 -0.00 0.00 0.00 36.82 36.91 3df1 h ILE 16 CO 0.00 0.01 -0.35 0.00 -0.00 0.00 0.00 178.15 177.80 3df1 h ALA 17 N 1.27 -0.99 -0.91 0.18 0.00 -0.60 -3.17 119.26 115.04 3df1 h ALA 17 Ca 0.83 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 55.54 3df1 h ALA 17 Cb 3.12 0.38 -0.05 0.00 0.00 0.00 0.00 17.79 21.24 3df1 h ALA 17 CO -0.14 -0.97 0.60 -0.07 0.00 0.00 0.00 179.25 178.66 3df1 h LEU 18 N -1.15 1.02 -0.92 0.00 4.07 -0.36 -1.24 115.31 116.72 3df1 h LEU 18 Ca -0.10 -0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.84 3df1 h LEU 18 Cb 0.78 -0.24 0.00 0.00 1.08 0.00 0.00 40.66 42.28 3df1 h LEU 18 CO 0.17 0.72 0.39 0.71 -1.08 0.00 0.00 178.44 179.34 3df1 h THR 19 N 1.19 0.00 0.00 0.22 1.35 -1.33 0.71 112.91 115.05 3df1 h THR 19 Ca 0.35 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.21 3df1 h THR 19 Cb -0.08 0.31 0.00 0.00 -1.73 0.00 0.00 68.15 66.65 3df1 h THR 19 CO -0.09 0.00 0.00 0.28 -0.25 0.00 0.00 175.52 175.46 3df1 h SER 20 N 0.00 0.00 -4.08 5.36 0.02 -1.23 -3.41 113.55 110.21 3df1 h SER 20 Ca 0.00 0.00 -0.55 0.00 -0.84 0.00 0.00 61.79 60.40 3df1 h SER 20 Cb 0.78 0.00 0.14 0.00 0.14 0.00 0.00 62.40 63.46 3df1 h SER 20 CO 0.00 0.00 0.54 -0.63 -1.14 0.00 0.00 176.83 175.60 3df1 s ILE 21 N -3.62 2.18 -0.99 3.27 1.01 0.25 -4.85 121.20 118.45 3df1 s ILE 21 Ca 0.01 0.12 0.00 0.00 0.00 0.00 0.00 60.65 60.78 3df1 s ILE 21 Cb 0.09 -3.06 0.00 0.00 0.01 0.00 0.00 42.46 39.51 3df1 s ILE 21 CO 0.43 -0.02 0.93 -1.22 0.00 0.00 0.00 174.94 175.07 3df1 n TYR 22 N -1.46 0.00 -2.37 3.97 0.53 -1.26 -2.99 117.16 113.57 3df1 n TYR 22 Ca 0.13 0.00 0.02 0.00 -1.02 0.00 0.00 57.90 57.03 3df1 n TYR 22 Cb 0.47 -0.43 0.01 0.00 -1.03 0.00 0.00 39.34 38.35 3df1 n TYR 22 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3df1 n GLY 23 N -1.43 0.88 2.94 2.72 0.00 -1.26 -4.67 105.19 104.37 3df1 n GLY 23 Ca 0.00 -0.64 -0.10 0.00 0.00 0.00 0.00 46.02 45.28 3df1 n GLY 23 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3df1 s VAL 24 N 0.00 0.08 0.00 1.61 -7.23 -1.16 -4.98 120.40 108.72 3df1 s VAL 24 Ca 0.25 -0.54 0.00 0.00 -1.81 0.00 0.00 61.98 59.88 3df1 s VAL 24 Cb 0.29 -0.17 0.00 0.00 0.56 0.00 0.00 36.38 37.06 3df1 s VAL 24 CO -0.13 -0.29 0.00 0.61 -0.31 0.00 0.00 175.10 174.98 3df1 n GLY 25 N 2.20 5.83 0.00 2.32 0.00 -1.26 -4.33 105.19 109.95 3df1 n GLY 25 Ca -0.19 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.09 3df1 n GLY 25 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3df1 n LYS 26 N 0.00 0.00 -0.06 1.61 4.76 -1.26 -1.46 118.16 121.75 3df1 n LYS 26 Ca 0.00 0.36 -0.07 0.00 -2.87 0.00 0.00 58.31 55.74 3df1 n LYS 26 Cb 0.00 -1.63 -0.02 0.00 -1.84 0.00 0.00 35.03 31.54 3df1 n LYS 26 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 3df1 n THR 27 N -1.36 1.13 -0.11 -0.18 -1.04 -1.26 -3.83 114.28 107.63 3df1 n THR 27 Ca 0.00 0.23 0.05 0.00 -2.04 0.00 0.00 64.05 62.29 3df1 n THR 27 Cb 0.13 -2.12 0.38 0.00 -1.82 0.00 0.00 70.33 66.90 3df1 n THR 27 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 3df1 h ARG 28 N -0.73 0.67 0.00 -2.82 1.12 -1.90 -1.55 114.38 109.17 3df1 h ARG 28 Ca 0.00 -0.04 0.00 0.00 -1.11 0.00 0.00 59.98 58.83 3df1 h ARG 28 Cb 0.73 -0.15 0.00 0.00 -0.01 0.00 0.00 29.97 30.54 3df1 h ARG 28 CO 0.00 0.44 -0.25 1.03 -3.11 0.00 0.00 179.97 178.08 3df1 h SER 29 N 0.69 0.00 0.67 -3.80 0.87 -1.51 -3.08 113.55 107.39 3df1 h SER 29 Ca 0.24 -0.07 -0.27 0.00 -1.23 0.00 0.00 61.79 60.46 3df1 h SER 29 Cb 0.10 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.04 3df1 h SER 29 CO -0.06 0.03 -1.33 0.50 -0.53 0.00 0.00 176.83 175.44 3df1 h LYS 30 N 0.00 0.13 0.18 2.24 3.64 -1.39 -3.30 116.57 118.07 3df1 h LYS 30 Ca 0.00 -0.21 -0.35 0.00 -1.27 0.00 0.00 60.65 58.81 3df1 h LYS 30 Cb 0.78 0.08 0.01 0.00 -0.41 0.00 0.00 32.23 32.69 3df1 h LYS 30 CO 0.00 0.99 -1.78 0.00 -2.27 0.00 0.00 179.45 176.39 3df1 h ALA 31 N 0.76 0.18 -0.72 5.00 0.00 -1.60 -3.36 119.26 119.52 3df1 h ALA 31 Ca -0.15 -1.17 0.10 0.00 0.00 0.00 0.00 54.91 53.69 3df1 h ALA 31 Cb 1.92 0.48 -0.05 0.00 0.00 0.00 0.00 17.79 20.15 3df1 h ALA 31 CO 0.14 1.05 0.48 0.97 0.00 0.00 0.00 179.25 181.89 3df1 h ILE 32 N 0.11 0.92 0.04 0.00 2.10 -1.70 -0.44 117.51 118.53 3df1 h ILE 32 Ca -0.35 -0.21 -0.00 0.00 1.08 0.00 0.00 64.86 65.38 3df1 h ILE 32 Cb 2.10 0.27 -0.00 0.00 -1.09 0.00 0.00 36.82 38.10 3df1 h ILE 32 CO 0.17 0.11 -0.03 -0.07 -1.08 0.00 0.00 178.15 177.25 3df1 h LEU 33 N 0.60 -0.07 -2.02 2.19 3.38 -1.70 -1.65 115.31 116.04 3df1 h LEU 33 Ca 0.33 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.37 3df1 h LEU 33 Cb 0.50 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 3df1 h LEU 33 CO -0.12 -0.04 0.16 0.00 0.09 0.00 0.00 178.44 178.53 3df1 h ALA 34 N -1.82 2.18 0.00 1.53 0.00 -1.28 0.53 119.26 120.39 3df1 h ALA 34 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3df1 h ALA 34 Cb 0.05 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3df1 h ALA 34 CO 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 179.25 178.99 3df1 h ALA 35 N 1.89 1.00 0.00 0.00 0.00 -0.82 -2.23 119.26 119.10 3df1 h ALA 35 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3df1 h ALA 35 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3df1 h ALA 35 CO -0.00 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.25 3df1 n ALA 36 N -1.87 2.07 -2.13 0.00 0.00 0.74 -5.00 120.51 114.33 3df1 n ALA 36 Ca 0.01 -0.81 0.00 0.00 0.00 0.00 0.00 53.44 52.64 3df1 n ALA 36 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.65 3df1 n ALA 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3df1 n GLY 37 N -0.32 0.69 3.10 0.00 0.00 -0.04 -4.96 105.19 103.65 3df1 n GLY 37 Ca 0.00 -0.55 -0.23 0.00 0.00 0.00 0.00 46.02 45.24 3df1 n GLY 37 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3df1 s ILE 38 N -2.93 1.16 0.00 -0.61 -1.09 0.15 -4.93 121.20 112.96 3df1 s ILE 38 Ca 0.00 -0.60 0.00 0.00 -2.23 0.00 0.00 60.65 57.82 3df1 s ILE 38 Cb 0.00 -0.99 0.00 0.00 -1.58 0.00 0.00 42.46 39.89 3df1 s ILE 38 CO 0.00 0.34 0.00 0.00 -1.23 0.00 0.00 174.94 174.05 3df1 n ALA 39 N 2.98 0.00 -0.11 9.38 0.00 -1.26 -1.86 120.51 129.65 3df1 n ALA 39 Ca -0.16 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.12 3df1 n ALA 39 Cb 0.54 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.89 3df1 n ALA 39 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3df1 n GLU 40 N -0.92 0.53 0.12 0.00 -0.58 -1.26 -4.44 120.64 114.09 3df1 n GLU 40 Ca 0.00 0.13 -0.00 0.00 -0.42 0.00 0.00 57.16 56.87 3df1 n GLU 40 Cb 0.00 -1.42 0.02 0.00 -0.57 0.00 0.00 31.44 29.47 3df1 n GLU 40 CO 0.00 0.00 0.00 0.22 -0.48 0.00 0.00 177.13 176.87 3df1 h ASP 41 N -0.06 0.00 -3.41 1.62 1.82 -1.96 -0.76 116.42 113.66 3df1 h ASP 41 Ca -0.48 0.00 -0.57 0.00 -0.39 0.00 0.00 57.03 55.59 3df1 h ASP 41 Cb 1.72 0.00 0.13 0.00 0.68 0.00 0.00 39.33 41.86 3df1 h ASP 41 CO -0.10 0.65 0.35 1.33 -1.61 0.00 0.00 179.24 179.87 3df1 n VAL 42 N -3.32 2.71 -3.66 2.25 0.24 -1.26 -4.43 118.33 110.86 3df1 n VAL 42 Ca 0.01 -0.50 -0.38 0.00 -2.04 0.00 0.00 64.34 61.43 3df1 n VAL 42 Cb 0.77 -1.39 -0.06 0.00 -1.47 0.00 0.00 33.84 31.69 3df1 n VAL 42 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 3df1 s LYS 43 N -2.23 3.73 0.03 7.34 3.01 -1.26 -0.31 119.74 130.04 3df1 s LYS 43 Ca 0.64 0.17 0.02 0.00 -1.01 0.00 0.00 55.97 55.79 3df1 s LYS 43 Cb -0.51 -3.21 0.11 0.00 -1.01 0.00 0.00 37.83 33.21 3df1 s LYS 43 CO 0.56 0.71 1.02 -0.89 0.51 0.00 0.00 175.35 177.26 3df1 n ILE 44 N 1.95 1.70 0.20 2.17 -0.00 -1.25 -2.21 119.36 121.91 3df1 n ILE 44 Ca -0.16 0.53 -0.15 0.00 -0.00 0.00 0.00 62.75 62.96 3df1 n ILE 44 Cb 0.53 -1.53 -0.08 0.00 -0.00 0.00 0.00 39.64 38.57 3df1 n ILE 44 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.55 176.83 3df1 h SER 45 N 0.00 -0.46 1.36 4.38 0.02 -1.89 -2.72 113.55 114.24 3df1 h SER 45 Ca 0.00 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 3df1 h SER 45 Cb 0.11 0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.78 3df1 h SER 45 CO 0.00 -0.31 0.00 1.05 -1.14 0.00 0.00 176.83 176.43 3df1 h GLU 46 N -0.49 0.00 -5.19 3.45 -0.00 -1.87 -3.44 114.58 107.05 3df1 h GLU 46 Ca -0.04 0.00 -0.36 0.00 -0.00 0.00 0.00 59.36 58.96 3df1 h GLU 46 Cb 0.40 0.00 -0.06 0.00 -0.00 0.00 0.00 28.75 29.08 3df1 h GLU 46 CO 0.04 0.00 1.49 1.28 -0.00 0.00 0.00 179.01 181.83 3df1 n LEU 47 N -3.02 0.49 -4.53 3.06 7.99 -1.03 -4.88 117.00 115.07 3df1 n LEU 47 Ca 0.02 -0.48 -0.28 0.00 -0.01 0.00 0.00 56.01 55.25 3df1 n LEU 47 Cb 0.38 -1.09 0.24 0.00 -0.11 0.00 0.00 43.42 42.84 3df1 n LEU 47 CO 0.29 -1.46 0.55 -0.44 -1.51 0.00 0.00 177.39 174.82 3df1 s SER 48 N 7.47 1.31 0.09 -1.43 0.01 -1.26 -4.16 113.70 115.73 3df1 s SER 48 Ca 1.19 1.46 -0.18 0.00 1.31 0.00 0.00 55.95 59.73 3df1 s SER 48 Cb -0.71 -2.21 -0.04 0.00 0.21 0.00 0.00 66.02 63.27 3df1 s SER 48 CO 0.39 -3.99 1.31 -0.08 0.41 0.00 0.00 173.24 171.29 3df1 h GLU 49 N -2.48 -0.00 -0.93 12.44 4.57 -1.98 0.64 114.58 126.85 3df1 h GLU 49 Ca -0.60 0.00 0.11 0.00 -1.18 0.00 0.00 59.36 57.69 3df1 h GLU 49 Cb 1.33 0.00 -0.08 0.00 -0.16 0.00 0.00 28.75 29.84 3df1 h GLU 49 CO 0.52 -0.00 0.57 0.78 -1.18 0.00 0.00 179.01 179.69 3df1 h GLY 50 N -0.00 1.49 1.21 1.92 0.00 -1.98 0.93 103.07 106.63 3df1 h GLY 50 Ca 0.09 -0.38 -0.08 0.00 0.00 0.00 0.00 47.33 46.96 3df1 h GLY 50 CO -0.54 0.16 0.07 1.46 0.00 0.00 0.00 176.54 177.68 3df1 h GLN 51 N 0.92 0.97 0.00 4.80 4.20 -0.93 -2.52 115.11 122.55 3df1 h GLN 51 Ca 0.45 -0.26 -0.22 0.00 0.06 0.00 0.00 58.65 58.69 3df1 h GLN 51 Cb 0.42 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 28.05 3df1 h GLN 51 CO -0.25 0.91 -1.19 0.97 -0.67 0.00 0.00 178.83 178.61 3df1 h ILE 52 N 0.91 1.30 -0.65 2.54 6.09 0.97 -3.33 117.51 125.33 3df1 h ILE 52 Ca 0.18 -3.00 -0.00 0.00 -1.37 0.00 0.00 64.86 60.67 3df1 h ILE 52 Cb 0.44 2.63 -0.03 0.00 0.47 0.00 0.00 36.82 40.32 3df1 h ILE 52 CO 0.01 0.74 0.39 0.44 -3.07 0.00 0.00 178.15 176.67 3df1 h ASP 53 N 0.00 0.78 -0.55 2.19 3.45 0.10 -1.71 116.42 120.68 3df1 h ASP 53 Ca -0.10 -0.06 0.07 0.00 0.43 0.00 0.00 57.03 57.37 3df1 h ASP 53 Cb 1.79 -0.20 -0.03 0.00 -0.56 0.00 0.00 39.33 40.33 3df1 h ASP 53 CO 0.10 0.62 0.37 0.71 -1.57 0.00 0.00 179.24 179.47 3df1 h THR 54 N 0.89 0.95 0.24 0.35 1.35 -1.56 0.18 112.91 115.31 3df1 h THR 54 Ca 0.23 -0.15 -0.01 0.00 -0.55 0.00 0.00 66.41 65.93 3df1 h THR 54 Cb -0.02 0.46 0.00 0.00 -1.73 0.00 0.00 68.15 66.86 3df1 h THR 54 CO -0.04 0.08 -0.12 -0.07 -0.25 0.00 0.00 175.52 175.12 3df1 h LEU 55 N 0.45 -0.28 -2.02 3.87 3.38 -1.47 0.39 115.31 119.64 3df1 h LEU 55 Ca 0.25 0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.29 3df1 h LEU 55 Cb 0.39 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 3df1 h LEU 55 CO -0.07 -0.12 0.37 -0.09 0.09 0.00 0.00 178.44 178.62 3df1 h ARG 56 N -0.48 0.00 0.00 1.13 2.43 -1.23 -2.31 114.38 113.92 3df1 h ARG 56 Ca -0.03 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3df1 h ARG 56 Cb 0.25 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 3df1 h ARG 56 CO 0.05 0.00 -0.25 0.22 -1.51 0.00 0.00 179.97 178.49 3df1 h ASP 57 N 0.00 0.00 0.00 -3.80 3.58 -0.59 -3.39 116.42 112.23 3df1 h ASP 57 Ca 0.10 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.55 3df1 h ASP 57 Cb 0.84 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.89 3df1 h ASP 57 CO -0.00 0.38 0.17 1.21 -2.88 0.00 0.00 179.24 178.12 3df1 n GLU 58 N -3.47 0.09 0.13 0.28 2.13 0.14 0.03 120.64 119.97 3df1 n GLU 58 Ca -0.03 0.55 0.01 0.00 0.66 0.00 0.00 57.16 58.34 3df1 n GLU 58 Cb 0.13 -1.96 0.09 0.00 0.27 0.00 0.00 31.44 29.97 3df1 n GLU 58 CO 0.00 0.00 0.00 -0.24 -0.41 0.00 0.00 177.13 176.48 3df1 h VAL 59 N 0.00 1.13 -0.18 6.31 3.04 -1.60 -3.13 116.25 121.83 3df1 h VAL 59 Ca 0.00 -2.30 0.05 0.00 -1.01 0.00 0.00 66.70 63.44 3df1 h VAL 59 Cb 0.34 2.36 -0.01 0.00 -2.01 0.00 0.00 31.29 31.97 3df1 h VAL 59 CO 0.00 0.59 0.24 0.00 -1.01 0.00 0.00 177.57 177.39 3df1 h ALA 60 N 1.40 1.72 0.00 3.17 0.00 -0.58 -2.45 119.26 122.52 3df1 h ALA 60 Ca -0.01 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 3df1 h ALA 60 Cb 1.31 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 3df1 h ALA 60 CO 0.08 -0.34 -0.11 1.63 0.00 0.00 0.00 179.25 180.51 3df1 n LYS 61 N -3.60 1.23 -3.45 0.00 4.76 -1.18 -4.59 118.16 111.33 3df1 n LYS 61 Ca 0.02 -0.32 0.03 0.00 -2.87 0.00 0.00 58.31 55.17 3df1 n LYS 61 Cb 0.36 -1.37 -0.05 0.00 -1.84 0.00 0.00 35.03 32.13 3df1 n LYS 61 CO 0.00 0.00 0.00 0.12 -1.37 0.00 0.00 177.40 176.15 3df1 s PHE 62 N 0.53 -0.00 0.14 2.13 5.36 -0.92 -5.13 117.98 120.08 3df1 s PHE 62 Ca 0.22 0.00 -0.33 0.00 -0.96 0.00 0.00 56.93 55.86 3df1 s PHE 62 Cb 0.10 0.00 -0.12 0.00 -0.34 0.00 0.00 43.02 42.66 3df1 s PHE 62 CO 0.00 -0.00 1.70 0.28 -1.46 0.00 0.00 175.22 175.74 3df1 n VAL 63 N 3.59 0.13 -4.10 3.12 0.31 -1.26 -4.97 118.33 115.15 3df1 n VAL 63 Ca -0.13 -0.02 -0.13 0.00 -0.01 0.00 0.00 64.34 64.05 3df1 n VAL 63 Cb 0.56 -1.82 -0.06 0.00 -0.91 0.00 0.00 33.84 31.61 3df1 n VAL 63 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 3df1 s VAL 64 N 1.67 0.00 0.00 2.52 -7.23 -1.26 -4.79 120.40 111.31 3df1 s VAL 64 Ca 0.80 -1.66 0.00 0.00 -1.81 0.00 0.00 61.98 59.31 3df1 s VAL 64 Cb -0.59 -2.49 0.00 0.00 0.56 0.00 0.00 36.38 33.86 3df1 s VAL 64 CO 0.37 0.00 0.00 -0.62 -0.31 0.00 0.00 175.10 174.54 3df1 n GLU 65 N -0.47 0.00 0.28 4.82 -0.58 -1.26 -2.95 120.64 120.48 3df1 n GLU 65 Ca 0.01 0.00 -0.18 0.00 -0.42 0.00 0.00 57.16 56.57 3df1 n GLU 65 Cb 0.63 0.00 -0.09 0.00 -0.57 0.00 0.00 31.44 31.40 3df1 n GLU 65 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 3df1 h GLY 66 N 0.00 -1.15 -0.92 0.62 0.00 -1.98 -2.69 103.07 96.96 3df1 h GLY 66 Ca 0.00 0.54 0.37 0.00 0.00 0.00 0.00 47.33 48.24 3df1 h GLY 66 CO 0.00 -0.36 0.44 1.22 0.00 0.00 0.00 176.54 177.84 3df1 n ASP 67 N -5.54 0.27 0.00 0.19 8.00 -1.15 -0.43 116.55 117.88 3df1 n ASP 67 Ca -0.11 1.53 0.00 0.00 0.71 0.00 0.00 54.79 56.91 3df1 n ASP 67 Cb 0.44 -0.72 0.00 0.00 -0.02 0.00 0.00 41.12 40.82 3df1 n ASP 67 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3df1 n LEU 68 N -5.11 0.23 -0.40 0.64 4.77 -1.02 0.13 117.00 116.24 3df1 n LEU 68 Ca 0.33 0.63 0.33 0.00 -0.03 0.00 0.00 56.01 57.27 3df1 n LEU 68 Cb 1.13 -0.19 0.63 0.00 -2.33 0.00 0.00 43.42 42.65 3df1 n LEU 68 CO -0.00 -0.19 1.26 0.03 -1.33 0.00 0.00 177.39 177.16 3df1 h ARG 69 N 0.00 0.17 0.18 3.23 2.47 -1.32 0.27 114.38 119.38 3df1 h ARG 69 Ca 0.00 -0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 58.70 3df1 h ARG 69 Cb 0.00 -0.04 0.00 0.00 -1.65 0.00 0.00 29.97 28.28 3df1 h ARG 69 CO 0.00 0.11 -0.09 0.00 0.56 0.00 0.00 179.97 180.55 3df1 h ARG 70 N 0.17 -0.23 -0.32 0.04 3.08 -0.73 -3.07 114.38 113.32 3df1 h ARG 70 Ca 0.72 0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.84 3df1 h ARG 70 Cb 2.25 0.05 -0.05 0.00 0.08 0.00 0.00 29.97 32.30 3df1 h ARG 70 CO -0.30 -0.07 -0.01 1.49 -1.07 0.00 0.00 179.97 180.01 3df1 h GLU 71 N -1.04 0.08 -0.66 0.04 4.22 0.23 0.30 114.58 117.74 3df1 h GLU 71 Ca -0.02 -0.00 0.09 0.00 0.08 0.00 0.00 59.36 59.50 3df1 h GLU 71 Cb 0.28 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.47 3df1 h GLU 71 CO 0.04 0.05 0.44 0.97 -2.18 0.00 0.00 179.01 178.33 3df1 h ILE 72 N 0.08 0.92 0.00 2.32 2.10 -0.67 0.49 117.51 122.75 3df1 h ILE 72 Ca 0.15 -0.18 -0.11 0.00 1.08 0.00 0.00 64.86 65.80 3df1 h ILE 72 Cb 0.21 0.35 -0.02 0.00 -1.09 0.00 0.00 36.82 36.27 3df1 h ILE 72 CO -0.27 0.10 -0.55 0.28 -1.08 0.00 0.00 178.15 176.63 3df1 h SER 73 N 0.53 0.00 0.07 2.19 0.02 -1.10 -2.33 113.55 112.93 3df1 h SER 73 Ca 0.30 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.25 3df1 h SER 73 Cb 0.49 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.03 3df1 h SER 73 CO -0.10 0.55 -0.03 0.24 -1.14 0.00 0.00 176.83 176.35 3df1 h MET 74 N 0.00 -0.09 -0.39 3.45 2.86 0.18 -1.71 114.93 119.24 3df1 h MET 74 Ca -0.01 0.01 0.05 0.00 -2.06 0.00 0.00 59.70 57.69 3df1 h MET 74 Cb 1.13 0.02 -0.05 0.00 0.06 0.00 0.00 31.60 32.76 3df1 h MET 74 CO 0.07 0.36 0.12 0.66 1.06 0.00 0.00 176.91 179.19 3df1 h SER 75 N -0.57 0.11 0.22 1.22 4.64 -0.68 -0.57 113.55 117.92 3df1 h SER 75 Ca -0.01 0.05 -0.04 0.00 -0.47 0.00 0.00 61.79 61.32 3df1 h SER 75 Cb 0.49 0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.62 3df1 h SER 75 CO 0.01 0.10 -0.19 0.40 -0.87 0.00 0.00 176.83 176.28 3df1 h ILE 76 N 0.27 1.08 -0.10 0.95 2.04 -1.46 -2.88 117.51 117.42 3df1 h ILE 76 Ca 0.18 -0.67 -0.00 0.00 1.00 0.00 0.00 64.86 65.37 3df1 h ILE 76 Cb 0.18 1.37 -0.00 0.00 -0.74 0.00 0.00 36.82 37.62 3df1 h ILE 76 CO -0.20 0.19 0.05 0.50 0.00 0.00 0.00 178.15 178.69 3df1 h LYS 77 N 0.00 0.14 -0.93 2.37 3.64 -0.14 -2.60 116.57 119.04 3df1 h LYS 77 Ca -0.00 -0.02 0.19 0.00 -1.27 0.00 0.00 60.65 59.55 3df1 h LYS 77 Cb 0.35 -0.03 -0.08 0.00 -0.41 0.00 0.00 32.23 32.07 3df1 h LYS 77 CO 0.02 0.17 0.60 -0.09 -2.27 0.00 0.00 179.45 177.89 3df1 h ARG 78 N 0.06 0.53 -0.03 1.90 2.43 -1.23 -1.99 114.38 116.06 3df1 h ARG 78 Ca 0.03 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3df1 h ARG 78 Cb 0.08 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 3df1 h ARG 78 CO -0.01 0.35 -0.05 -0.07 -1.51 0.00 0.00 179.97 178.68 3df1 h LEU 79 N 0.54 -0.16 -1.75 3.80 3.38 -1.50 0.86 115.31 120.48 3df1 h LEU 79 Ca 0.49 0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.58 3df1 h LEU 79 Cb 1.03 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.82 3df1 h LEU 79 CO -0.23 -0.04 0.35 0.00 0.09 0.00 0.00 178.44 178.61 3df1 h MET 80 N -0.04 0.27 -0.99 1.13 -0.00 -1.58 0.46 114.93 114.19 3df1 h MET 80 Ca 0.00 -0.02 -0.01 0.00 -0.00 0.00 0.00 59.70 59.68 3df1 h MET 80 Cb 0.06 -0.06 -0.01 0.00 -0.00 0.00 0.00 31.60 31.59 3df1 h MET 80 CO -0.05 0.18 0.02 -0.25 -0.00 0.00 0.00 176.91 176.81 3df1 n ASP 81 N -4.46 2.16 0.00 -0.10 8.00 0.11 -3.40 116.55 118.86 3df1 n ASP 81 Ca 0.08 -2.06 0.00 0.00 0.71 0.00 0.00 54.79 53.52 3df1 n ASP 81 Cb 0.38 -0.51 0.00 0.00 -0.02 0.00 0.00 41.12 40.97 3df1 n ASP 81 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3df1 n LEU 82 N 0.23 0.00 0.00 0.64 4.77 0.15 -4.93 117.00 117.86 3df1 n LEU 82 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 3df1 n LEU 82 Cb 0.43 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 3df1 n LEU 82 CO 0.02 -0.10 0.00 0.61 -1.33 0.00 0.00 177.39 176.59 3df1 n GLY 83 N 1.44 0.65 3.73 -0.72 0.00 -0.16 -5.08 105.19 105.05 3df1 n GLY 83 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 3df1 n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3df1 h TYR 85 N 1.36 0.96 0.46 0.00 3.20 -1.98 -2.02 116.97 118.94 3df1 h TYR 85 Ca -0.50 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.39 3df1 h TYR 85 Cb 1.31 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 39.28 3df1 h TYR 85 CO 0.45 0.08 -0.47 -0.09 -1.64 0.00 0.00 178.16 176.49 3df1 h ARG 86 N 0.57 -0.90 -0.27 1.82 2.43 -1.95 -1.04 114.38 115.03 3df1 h ARG 86 Ca 0.63 0.06 0.07 0.00 -0.81 0.00 0.00 59.98 59.93 3df1 h ARG 86 Cb 1.24 0.21 -0.08 0.00 -0.42 0.00 0.00 29.97 30.92 3df1 h ARG 86 CO -0.43 -0.60 -0.28 0.78 -1.51 0.00 0.00 179.97 177.93 3df1 h GLY 87 N -0.94 -0.22 -0.17 2.80 0.00 -1.63 -1.64 103.07 101.27 3df1 h GLY 87 Ca -0.05 0.35 0.08 0.00 0.00 0.00 0.00 47.33 47.70 3df1 h GLY 87 CO -0.07 -0.21 -0.35 1.41 0.00 0.00 0.00 176.54 177.33 3df1 h LEU 88 N -0.27 -1.14 -1.24 3.11 3.38 -1.34 0.15 115.31 117.96 3df1 h LEU 88 Ca 0.14 0.19 0.28 0.00 0.09 0.00 0.00 57.88 58.58 3df1 h LEU 88 Cb 0.50 0.52 -0.11 0.00 0.09 0.00 0.00 40.66 41.66 3df1 h LEU 88 CO -0.43 -0.33 0.66 0.03 0.09 0.00 0.00 178.44 178.46 3df1 h ARG 89 N -0.28 0.40 0.38 1.13 2.47 -0.29 -1.76 114.38 116.43 3df1 h ARG 89 Ca 0.16 -0.02 -0.02 0.00 -1.26 0.00 0.00 59.98 58.84 3df1 h ARG 89 Cb 0.55 -0.09 0.00 0.00 -1.65 0.00 0.00 29.97 28.78 3df1 h ARG 89 CO -0.53 0.27 -0.18 0.45 0.56 0.00 0.00 179.97 180.53 3df1 h HIS 90 N 0.42 -0.47 0.00 3.04 3.86 0.06 -1.93 115.15 120.13 3df1 h HIS 90 Ca 0.64 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.84 3df1 h HIS 90 Cb 1.53 0.16 0.00 0.00 1.06 0.00 0.00 27.41 30.16 3df1 h HIS 90 CO -0.00 -0.29 0.00 2.89 0.86 0.00 0.00 177.93 181.38 3df1 n ARG 91 N -4.16 0.13 0.00 2.45 1.85 -0.92 -0.27 116.66 115.74 3df1 n ARG 91 Ca -0.06 0.10 0.10 0.00 -1.00 0.00 0.00 57.85 56.99 3df1 n ARG 91 Cb 0.20 -1.50 -0.09 0.00 -1.05 0.00 0.00 32.46 30.02 3df1 n ARG 91 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 3df1 n ARG 92 N -1.12 0.27 -0.99 2.89 5.12 -0.68 -4.97 116.66 117.19 3df1 n ARG 92 Ca 0.03 -0.23 0.00 0.00 -1.93 0.00 0.00 57.85 55.73 3df1 n ARG 92 Cb 0.03 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 29.83 3df1 n ARG 92 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3df1 n GLY 93 N 1.48 0.39 3.76 -0.13 0.00 0.63 -5.02 105.19 106.31 3df1 n GLY 93 Ca 0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.79 3df1 n GLY 93 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3df1 s LEU 94 N 0.00 3.70 0.82 0.99 1.43 -0.74 -3.19 118.68 121.70 3df1 s LEU 94 Ca 0.00 -0.12 -0.13 0.00 -1.03 0.00 0.00 54.13 52.85 3df1 s LEU 94 Cb 0.00 -2.36 0.08 0.00 0.03 0.00 0.00 46.19 43.94 3df1 s LEU 94 CO 0.00 0.12 1.09 -0.81 0.23 0.00 0.00 176.35 176.99 3df1 n PRO 95 N 0.09 0.09 -0.01 1.29 -0.04 -1.26 -4.22 135.00 130.94 3df1 n PRO 95 Ca -0.09 0.11 -0.01 0.00 -0.04 0.00 0.00 63.50 63.47 3df1 n PRO 95 Cb 0.53 -2.35 -0.01 0.00 -0.04 0.00 0.00 33.50 31.63 3df1 n PRO 95 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3df1 n VAL 96 N -3.35 0.08 0.00 0.52 0.31 -1.26 -4.61 118.33 110.02 3df1 n VAL 96 Ca 0.13 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.41 3df1 n VAL 96 Cb 0.51 -0.97 0.00 0.00 -0.91 0.00 0.00 33.84 32.47 3df1 n VAL 96 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3df1 n ARG 97 N -2.05 0.00 -0.77 5.55 3.00 -1.26 -4.77 116.66 116.36 3df1 n ARG 97 Ca -0.02 0.34 0.00 0.00 -0.01 0.00 0.00 57.85 58.16 3df1 n ARG 97 Cb 0.54 -1.62 0.00 0.00 0.00 0.00 0.00 32.46 31.38 3df1 n ARG 97 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3df1 n GLY 98 N -1.33 0.47 0.00 -0.13 0.00 -1.26 -5.13 105.19 97.81 3df1 n GLY 98 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.53 3df1 n GLY 98 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3df1 n GLN 99 N -0.60 2.46 -3.34 1.61 3.00 -1.26 -5.09 117.38 114.16 3df1 n GLN 99 Ca 0.00 0.00 -0.45 0.00 -0.01 0.00 0.00 57.00 56.54 3df1 n GLN 99 Cb 0.26 0.00 -0.06 0.00 0.00 0.00 0.00 30.24 30.44 3df1 n GLN 99 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.06 176.08 3df1 s ARG 100 N -0.62 2.95 0.00 -1.09 1.70 -1.26 -4.91 118.95 115.71 3df1 s ARG 100 Ca 0.00 -1.68 0.09 0.00 -0.47 0.00 0.00 55.73 53.66 3df1 s ARG 100 Cb 0.00 -4.25 0.51 0.00 -0.57 0.00 0.00 34.95 30.64 3df1 s ARG 100 CO 0.00 -1.29 0.93 0.25 -1.08 0.00 0.00 175.30 174.11 3df1 n THR 101 N 5.22 0.00 0.02 4.99 -2.24 -1.26 -2.15 114.28 118.86 3df1 n THR 101 Ca -0.13 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.61 3df1 n THR 101 Cb 0.40 -0.63 -0.10 0.00 -2.10 0.00 0.00 70.33 67.90 3df1 n THR 101 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 3df1 h LYS 102 N 0.00 0.00 -3.63 -0.78 2.10 -2.05 -3.49 116.57 108.73 3df1 h LYS 102 Ca 0.00 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.58 3df1 h LYS 102 Cb 0.00 0.00 -0.12 0.00 -0.90 0.00 0.00 32.23 31.21 3df1 h LYS 102 CO 0.00 0.43 -0.18 0.95 -2.00 0.00 0.00 179.45 178.65 3df1 s THR 103 N -2.78 0.06 -0.07 0.07 -4.23 -0.91 -5.04 115.64 102.74 3df1 s THR 103 Ca -0.03 -1.07 -0.00 0.00 -1.18 0.00 0.00 61.69 59.41 3df1 s THR 103 Cb 0.08 -1.63 0.00 0.00 1.34 0.00 0.00 72.50 72.30 3df1 s THR 103 CO 0.81 -0.28 0.00 0.59 -0.54 0.00 0.00 174.62 175.21 3df1 n ASN 104 N -0.24 -6.86 0.00 3.99 3.02 -1.26 -4.62 115.26 109.28 3df1 n ASN 104 Ca -0.10 0.65 0.00 0.00 -0.03 0.00 0.00 54.58 55.10 3df1 n ASN 104 Cb 0.63 -2.40 0.00 0.00 -0.61 0.00 0.00 39.78 37.39 3df1 n ASN 104 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3df1 n ALA 105 N 1.21 0.00 -0.34 5.41 0.00 -1.26 -4.78 120.51 120.74 3df1 n ALA 105 Ca -0.00 0.00 0.29 0.00 0.00 0.00 0.00 53.44 53.73 3df1 n ALA 105 Cb 0.38 0.00 0.55 0.00 0.00 0.00 0.00 19.45 20.38 3df1 n ALA 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3df1 h ARG 106 N 0.00 0.15 0.74 0.00 2.47 -1.82 0.21 114.38 116.13 3df1 h ARG 106 Ca 0.00 -0.01 -0.04 0.00 -1.26 0.00 0.00 59.98 58.67 3df1 h ARG 106 Cb 0.49 -0.03 0.01 0.00 -1.65 0.00 0.00 29.97 28.78 3df1 h ARG 106 CO 0.00 0.10 -0.35 1.15 0.56 0.00 0.00 179.97 181.43 3df1 h THR 107 N 0.16 0.00 0.16 2.04 2.02 -1.92 -3.36 112.91 112.01 3df1 h THR 107 Ca 0.79 -0.16 -0.01 0.00 0.77 0.00 0.00 66.41 67.81 3df1 h THR 107 Cb 2.03 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.44 3df1 h THR 107 CO -0.65 0.00 -0.09 -0.09 0.37 0.00 0.00 175.52 175.06 3df1 h ARG 108 N -1.15 -0.22 0.00 6.66 9.65 -1.46 -3.45 114.38 124.41 3df1 h ARG 108 Ca -0.10 0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.79 3df1 h ARG 108 Cb 0.76 0.05 0.00 0.00 -1.39 0.00 0.00 29.97 29.39 3df1 h ARG 108 CO 0.17 -0.15 0.00 0.36 2.80 0.00 0.00 179.97 183.15 3df1 n LYS 109 N -2.71 1.38 -3.10 0.20 2.85 0.58 -4.89 118.16 112.48 3df1 n LYS 109 Ca -0.03 0.00 -0.25 0.00 -1.05 0.00 0.00 58.31 56.98 3df1 n LYS 109 Cb 0.09 0.00 -0.01 0.00 -0.65 0.00 0.00 35.03 34.47 3df1 n LYS 109 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 3df1 s GLY 110 N -0.81 1.40 1.37 2.58 0.00 -1.26 -4.64 107.32 105.96 3df1 s GLY 110 Ca 0.00 -0.76 -0.22 0.00 0.00 0.00 0.00 44.72 43.74 3df1 s GLY 110 CO 0.00 -0.66 0.98 2.56 0.00 0.00 0.00 173.10 175.98 3df1 s PRO 111 N -4.48 -2.53 -0.62 2.90 0.04 -1.26 -4.42 135.00 124.65 3df1 s PRO 111 Ca 0.43 0.07 -0.34 0.00 0.04 0.00 0.00 61.00 61.20 3df1 s PRO 111 Cb -0.10 -1.43 -0.15 0.00 0.04 0.00 0.00 34.50 32.86 3df1 s PRO 111 CO 0.39 -4.60 2.40 0.54 0.04 0.00 0.00 177.00 175.77 3df1 n ARG 112 N -5.42 0.53 -3.25 4.56 5.12 -1.26 -4.84 116.66 112.10 3df1 n ARG 112 Ca 0.13 0.09 -0.30 0.00 -1.93 0.00 0.00 57.85 55.84 3df1 n ARG 112 Cb 0.60 -2.16 -0.06 0.00 -1.16 0.00 0.00 32.46 29.68 3df1 n ARG 112 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 3df1 n LYS 113 N 8.33 3.08 0.00 5.56 4.81 -1.26 -5.23 118.16 133.45 3df1 n LYS 113 Ca 0.51 -4.69 0.04 0.00 -0.87 0.00 0.00 58.31 53.30 3df1 n LYS 113 Cb 0.18 -2.30 0.24 0.00 0.02 0.00 0.00 35.03 33.16 3df1 n LYS 113 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22