#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v61 s SER 2 N 0.00 2.37 0.78 1.61 1.04 -1.26 -5.13 113.70 113.10 1v61 s SER 2 Ca 0.00 -0.41 -0.12 0.00 0.48 0.00 0.00 55.95 55.90 1v61 s SER 2 Cb 0.00 -0.85 0.06 0.00 0.10 0.00 0.00 66.02 65.33 1v61 s SER 2 CO 0.00 -0.14 1.12 -0.55 0.98 0.00 0.00 173.24 174.65 1v61 s SER 3 N 1.70 4.73 -0.65 7.02 0.15 -1.26 -4.99 113.70 120.39 1v61 s SER 3 Ca 0.04 1.06 -0.21 0.00 0.70 0.00 0.00 55.95 57.54 1v61 s SER 3 Cb -0.13 -1.73 0.09 0.00 -1.71 0.00 0.00 66.02 62.54 1v61 s SER 3 CO -0.08 -1.79 0.86 -0.83 1.20 0.00 0.00 173.24 172.60 1v61 s GLY 4 N -4.27 1.58 -0.06 9.45 0.00 -1.26 -4.80 107.32 107.96 1v61 s GLY 4 Ca 0.60 -2.07 -0.09 0.00 0.00 0.00 0.00 44.72 43.17 1v61 s GLY 4 CO 0.52 1.85 -0.18 1.44 0.00 0.00 0.00 173.10 176.73 1v61 n SER 5 N 7.04 1.44 -4.99 1.64 7.64 -1.26 -5.06 113.62 120.07 1v61 n SER 5 Ca -0.05 0.23 -0.18 0.00 1.01 0.00 0.00 58.87 59.88 1v61 n SER 5 Cb 0.44 -0.52 0.00 0.00 -1.01 0.00 0.00 64.21 63.12 1v61 n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1v61 s SER 6 N -6.02 5.59 0.00 6.43 0.01 -1.26 -5.13 113.70 113.33 1v61 s SER 6 Ca -0.16 -0.45 0.00 0.00 1.31 0.00 0.00 55.95 56.65 1v61 s SER 6 Cb 0.03 -0.70 0.00 0.00 0.21 0.00 0.00 66.02 65.56 1v61 s SER 6 CO 0.23 -0.71 0.00 0.61 0.41 0.00 0.00 173.24 173.78 1v61 n GLY 7 N -1.78 0.77 1.46 3.44 0.00 -1.26 -5.02 105.19 102.80 1v61 n GLY 7 Ca 0.06 -0.71 0.19 0.00 0.00 0.00 0.00 46.02 45.57 1v61 n GLY 7 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1v61 n GLN 8 N 0.00 -3.11 0.00 1.61 6.02 -1.26 -4.65 117.38 115.99 1v61 n GLN 8 Ca 0.00 2.27 0.00 0.00 -0.01 0.00 0.00 57.00 59.26 1v61 n GLN 8 Cb 0.00 -3.73 0.00 0.00 1.02 0.00 0.00 30.24 27.53 1v61 n GLN 8 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 1v61 n ILE 9 N -4.32 0.00 -2.60 5.09 2.08 -1.26 -3.19 119.36 115.17 1v61 n ILE 9 Ca -0.03 0.00 -0.26 0.00 0.56 0.00 0.00 62.75 63.02 1v61 n ILE 9 Cb 0.68 0.00 -0.01 0.00 -0.75 0.00 0.00 39.64 39.56 1v61 n ILE 9 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1v61 n LEU 10 N 0.00 4.47 0.15 1.39 -0.00 -1.26 -4.74 117.00 117.01 1v61 n LEU 10 Ca 0.00 -5.25 0.00 0.00 -0.00 0.00 0.00 56.01 50.76 1v61 n LEU 10 Cb 0.00 -0.43 0.00 0.00 -0.00 0.00 0.00 43.42 42.99 1v61 n LEU 10 CO 0.00 2.24 0.00 -1.20 -0.00 0.00 0.00 177.39 178.43 1v61 n SER 11 N -0.40 -0.60 -4.84 1.45 7.64 -1.19 -5.07 113.62 110.61 1v61 n SER 11 Ca 0.36 0.51 -0.32 0.00 1.01 0.00 0.00 58.87 60.42 1v61 n SER 11 Cb 0.61 0.76 -0.03 0.00 -1.01 0.00 0.00 64.21 64.54 1v61 n SER 11 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 1v61 s GLU 12 N -1.90 3.93 0.02 1.43 -1.05 -1.26 -4.92 118.70 114.94 1v61 s GLU 12 Ca 0.00 0.97 -0.30 0.00 -0.15 0.00 0.00 54.97 55.49 1v61 s GLU 12 Cb 0.00 -2.13 -0.05 0.00 -0.44 0.00 0.00 34.13 31.51 1v61 s GLU 12 CO 0.00 -0.29 1.18 -1.25 0.95 0.00 0.00 175.26 175.85 1v61 s PRO 13 N -4.05 4.42 -0.44 -4.83 0.04 -1.26 -4.83 135.00 124.05 1v61 s PRO 13 Ca 0.59 1.71 -0.25 0.00 0.04 0.00 0.00 61.00 63.09 1v61 s PRO 13 Cb -0.10 -3.42 0.02 0.00 0.04 0.00 0.00 34.50 31.04 1v61 s PRO 13 CO 0.31 -0.29 0.91 0.42 0.04 0.00 0.00 177.00 178.39 1v61 s ILE 14 N 1.38 4.51 0.19 0.56 1.01 -1.26 -4.63 121.20 122.96 1v61 s ILE 14 Ca 0.57 0.81 -0.32 0.00 0.00 0.00 0.00 60.65 61.71 1v61 s ILE 14 Cb -0.27 -4.40 -0.15 0.00 0.01 0.00 0.00 42.46 37.64 1v61 s ILE 14 CO 0.27 -0.76 1.20 1.67 0.00 0.00 0.00 174.94 177.32 1v61 n GLN 15 N 7.05 1.33 0.00 2.79 7.27 0.09 -0.36 117.38 135.55 1v61 n GLN 15 Ca 0.06 0.47 0.00 0.00 0.07 0.00 0.00 57.00 57.60 1v61 n GLN 15 Cb 0.48 -2.00 0.00 0.00 2.41 0.00 0.00 30.24 31.14 1v61 n GLN 15 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1v61 n ALA 16 N 1.52 0.00 -1.44 1.69 0.00 -1.26 0.64 120.51 121.66 1v61 n ALA 16 Ca 0.14 0.00 -0.62 0.00 0.00 0.00 0.00 53.44 52.96 1v61 n ALA 16 Cb 0.26 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.60 1v61 n ALA 16 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 1v61 n TRP 17 N 0.00 1.39 -3.68 0.00 -0.00 0.51 -4.88 117.44 110.78 1v61 n TRP 17 Ca 0.00 0.92 -0.12 0.00 -0.00 0.00 0.00 57.50 58.29 1v61 n TRP 17 Cb 0.00 -2.21 -0.09 0.00 -0.00 0.00 0.00 31.31 29.01 1v61 n TRP 17 CO 0.00 0.00 0.00 -1.83 -0.00 0.00 0.00 177.69 175.86 1v61 s GLU 18 N 4.57 0.62 0.00 5.87 -1.05 -1.26 -4.90 118.70 122.55 1v61 s GLU 18 Ca 1.11 0.82 0.00 0.00 -0.15 0.00 0.00 54.97 56.75 1v61 s GLU 18 Cb -1.47 0.25 0.00 0.00 -0.44 0.00 0.00 34.13 32.47 1v61 s GLU 18 CO 0.71 -0.10 0.00 0.41 0.95 0.00 0.00 175.26 177.24 1v61 n GLY 19 N 3.16 1.66 3.98 -3.83 0.00 -1.26 -5.05 105.19 103.85 1v61 n GLY 19 Ca -0.16 -0.71 -0.19 0.00 0.00 0.00 0.00 46.02 44.96 1v61 n GLY 19 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1v61 s ASP 20 N -4.00 5.89 0.81 1.61 1.11 -1.26 -5.11 116.67 115.73 1v61 s ASP 20 Ca 0.00 -0.23 -0.12 0.00 0.18 0.00 0.00 52.55 52.38 1v61 s ASP 20 Cb 0.00 -1.17 0.08 0.00 1.07 0.00 0.00 42.92 42.90 1v61 s ASP 20 CO 0.00 -0.45 1.16 -1.81 1.18 0.00 0.00 175.17 175.25 1v61 s ASP 21 N -4.17 4.45 -0.11 0.27 1.11 -1.26 -5.00 116.67 111.96 1v61 s ASP 21 Ca 0.45 0.87 0.08 0.00 0.18 0.00 0.00 52.55 54.14 1v61 s ASP 21 Cb -0.09 -1.42 -0.24 0.00 1.07 0.00 0.00 42.92 42.24 1v61 s ASP 21 CO 0.31 -1.95 0.41 0.00 1.18 0.00 0.00 175.17 175.13 1v61 n ILE 22 N -3.36 1.60 0.90 0.77 3.06 -1.26 -3.81 119.36 117.27 1v61 n ILE 22 Ca 0.08 -0.76 0.10 0.00 -2.50 0.00 0.00 62.75 59.67 1v61 n ILE 22 Cb 0.60 -1.13 0.50 0.00 0.54 0.00 0.00 39.64 40.15 1v61 n ILE 22 CO 0.00 0.00 0.00 0.29 -2.50 0.00 0.00 176.55 174.34 1v61 n LYS 23 N -3.11 0.20 0.07 9.51 4.76 -1.26 -2.12 118.16 126.21 1v61 n LYS 23 Ca -0.26 0.11 0.03 0.00 -2.87 0.00 0.00 58.31 55.32 1v61 n LYS 23 Cb 1.07 -1.50 -0.04 0.00 -1.84 0.00 0.00 35.03 32.71 1v61 n LYS 23 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1v61 h THR 24 N 0.00 0.48 0.00 -0.18 1.03 -1.97 -3.40 112.91 108.87 1v61 h THR 24 Ca 0.00 -1.86 0.00 0.00 -0.01 0.00 0.00 66.41 64.54 1v61 h THR 24 Cb 0.25 2.03 0.00 0.00 -1.07 0.00 0.00 68.15 69.35 1v61 h THR 24 CO 0.00 0.27 0.00 0.18 -0.01 0.00 0.00 175.52 175.96 1v61 n LEU 25 N -2.93 1.94 0.00 0.00 4.77 -0.90 -5.06 117.00 114.82 1v61 n LEU 25 Ca -0.05 0.19 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 1v61 n LEU 25 Cb 0.76 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.72 1v61 n LEU 25 CO 0.42 -0.13 0.00 0.61 -1.33 0.00 0.00 177.39 176.96 1v61 n GLY 26 N 1.99 1.09 3.46 -0.72 0.00 -1.21 -5.05 105.19 104.76 1v61 n GLY 26 Ca 0.00 -0.80 -0.28 0.00 0.00 0.00 0.00 46.02 44.94 1v61 n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1v61 s ASN 27 N 0.00 0.66 -0.57 1.61 2.20 -1.26 -4.79 114.94 112.79 1v61 s ASN 27 Ca 0.00 1.41 -0.20 0.00 -0.94 0.00 0.00 52.86 53.14 1v61 s ASN 27 Cb 0.00 -2.19 0.08 0.00 -2.00 0.00 0.00 41.25 37.14 1v61 s ASN 27 CO 0.00 -4.38 0.73 -0.69 -2.94 0.00 0.00 177.10 169.82 1v61 s VAL 28 N -2.44 4.74 0.00 3.54 1.01 -1.26 -4.10 120.40 121.89 1v61 s VAL 28 Ca 0.69 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.99 1v61 s VAL 28 Cb -0.24 -4.46 0.00 0.00 0.00 0.00 0.00 36.38 31.68 1v61 s VAL 28 CO 0.64 -1.07 0.60 -0.38 0.00 0.00 0.00 175.10 174.89 1v61 n ILE 29 N 5.66 0.00 -4.32 2.22 5.41 0.24 -4.73 119.36 123.84 1v61 n ILE 29 Ca -0.07 1.10 -0.25 0.00 1.00 0.00 0.00 62.75 64.52 1v61 n ILE 29 Cb 0.44 -1.95 -0.17 0.00 -0.71 0.00 0.00 39.64 37.25 1v61 n ILE 29 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 176.55 176.67 1v61 s PHE 30 N -1.39 1.46 -0.09 1.39 2.19 -1.26 -4.99 117.98 115.29 1v61 s PHE 30 Ca 0.00 -0.61 0.02 0.00 0.33 0.00 0.00 56.93 56.66 1v61 s PHE 30 Cb 0.00 -1.13 0.01 0.00 -1.31 0.00 0.00 43.02 40.60 1v61 s PHE 30 CO 0.00 -0.37 -0.13 0.00 1.83 0.00 0.00 175.22 176.55 1v61 s MET 31 N 1.06 1.93 -0.02 10.12 0.23 -1.26 -3.41 119.30 127.95 1v61 s MET 31 Ca -0.07 -0.47 -0.22 0.00 -1.03 0.00 0.00 55.69 53.89 1v61 s MET 31 Cb -0.15 -1.63 0.05 0.00 -1.53 0.00 0.00 34.83 31.57 1v61 s MET 31 CO -0.01 -0.02 0.48 -1.54 -2.03 0.00 0.00 175.02 171.90 1v61 s SER 32 N 0.85 -0.40 -0.53 -1.18 1.04 -1.26 -5.04 113.70 107.19 1v61 s SER 32 Ca -0.10 0.33 -0.28 0.00 0.48 0.00 0.00 55.95 56.38 1v61 s SER 32 Cb -0.15 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.39 1v61 s SER 32 CO 0.01 -0.56 1.58 -1.58 0.98 0.00 0.00 173.24 173.67 1v61 s GLN 33 N -1.49 3.16 0.54 4.02 0.74 -1.26 -3.78 119.66 121.60 1v61 s GLN 33 Ca -0.11 0.66 0.07 0.00 0.05 0.00 0.00 55.36 56.03 1v61 s GLN 33 Cb -0.02 -4.19 0.05 0.00 1.10 0.00 0.00 33.01 29.95 1v61 s GLN 33 CO 0.05 -2.10 0.56 0.14 -0.55 0.00 0.00 175.29 173.40 1v61 s VAL 34 N 6.86 1.98 -0.21 1.34 -7.23 0.02 -4.88 120.40 118.28 1v61 s VAL 34 Ca 0.60 -1.27 0.00 0.00 -1.81 0.00 0.00 61.98 59.51 1v61 s VAL 34 Cb -0.13 -2.24 0.05 0.00 0.56 0.00 0.00 36.38 34.62 1v61 s VAL 34 CO 0.26 0.00 -0.07 -0.69 -0.31 0.00 0.00 175.10 174.29 1v61 s VAL 35 N -2.69 1.42 -0.07 1.32 1.01 -1.26 0.54 120.40 120.67 1v61 s VAL 35 Ca 0.47 -0.99 -0.00 0.00 0.00 0.00 0.00 61.98 61.46 1v61 s VAL 35 Cb -0.04 -1.62 0.02 0.00 0.00 0.00 0.00 36.38 34.75 1v61 s VAL 35 CO 0.29 0.03 -0.04 -0.32 0.00 0.00 0.00 175.10 175.07 1v61 s MET 36 N 1.47 1.00 0.20 2.72 -2.45 0.38 0.42 119.30 123.04 1v61 s MET 36 Ca -0.03 -0.09 0.02 0.00 -1.25 0.00 0.00 55.69 54.34 1v61 s MET 36 Cb -0.17 -1.12 -0.01 0.00 1.25 0.00 0.00 34.83 34.78 1v61 s MET 36 CO -0.07 -0.20 0.06 0.00 1.05 0.00 0.00 175.02 175.86 1v61 n GLN 37 N 4.66 0.87 -0.09 4.11 10.64 -1.26 -4.42 117.38 131.90 1v61 n GLN 37 Ca -0.15 -1.64 -0.11 0.00 -1.83 0.00 0.00 57.00 53.28 1v61 n GLN 37 Cb 0.50 0.82 -0.04 0.00 -0.86 0.00 0.00 30.24 30.66 1v61 n GLN 37 CO 0.00 0.00 0.00 1.58 -1.83 0.00 0.00 177.06 176.81 1v61 n HIS 38 N -0.46 0.04 0.00 2.61 -0.00 -1.26 -4.31 115.22 111.84 1v61 n HIS 38 Ca -0.04 0.02 0.00 0.00 -0.00 0.00 0.00 57.72 57.70 1v61 n HIS 38 Cb 0.29 -0.55 0.00 0.00 -0.00 0.00 0.00 29.99 29.73 1v61 n HIS 38 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1v61 n GLY 39 N 1.45 2.93 3.57 1.57 0.00 -1.26 -5.02 105.19 108.43 1v61 n GLY 39 Ca -0.17 0.04 -0.36 0.00 0.00 0.00 0.00 46.02 45.53 1v61 n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1v61 s ALA 40 N -1.13 2.43 0.52 4.61 0.00 -1.26 -4.92 121.76 122.01 1v61 s ALA 40 Ca 0.00 -2.18 0.06 0.00 0.00 0.00 0.00 51.96 49.84 1v61 s ALA 40 Cb 0.00 -4.58 0.03 0.00 0.00 0.00 0.00 23.12 18.57 1v61 s ALA 40 CO 0.00 -4.11 0.43 0.00 0.00 0.00 0.00 175.76 172.08 1v61 n GLU 42 N -1.76 0.00 -4.21 0.00 1.02 -1.26 -4.90 120.64 109.53 1v61 n GLU 42 Ca 0.01 0.65 -0.17 0.00 -0.02 0.00 0.00 57.16 57.62 1v61 n GLU 42 Cb 0.64 -1.38 -0.07 0.00 -0.02 0.00 0.00 31.44 30.61 1v61 n GLU 42 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1v61 s GLU 43 N -2.51 1.79 0.21 3.49 2.02 -1.26 -5.12 118.70 117.32 1v61 s GLU 43 Ca 0.00 -1.91 -0.27 0.00 0.02 0.00 0.00 54.97 52.81 1v61 s GLU 43 Cb 0.00 0.37 -0.17 0.00 0.10 0.00 0.00 34.13 34.43 1v61 s GLU 43 CO 0.00 -0.69 0.49 1.63 0.02 0.00 0.00 175.26 176.71 1v61 n LYS 44 N -0.59 0.00 -3.44 1.61 5.02 -1.26 -4.85 118.16 114.65 1v61 n LYS 44 Ca 0.05 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.91 1v61 n LYS 44 Cb 0.62 -0.98 -0.03 0.00 -0.02 0.00 0.00 35.03 34.63 1v61 n LYS 44 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1v61 s GLU 45 N -0.98 3.78 0.31 1.97 0.41 -1.26 -5.00 118.70 117.93 1v61 s GLU 45 Ca 0.63 -3.08 -0.29 0.00 -0.41 0.00 0.00 54.97 51.82 1v61 s GLU 45 Cb -0.90 -4.34 -0.10 0.00 -1.78 0.00 0.00 34.13 27.02 1v61 s GLU 45 CO 0.55 -1.25 1.22 -1.21 -0.49 0.00 0.00 175.26 174.08 1v61 s GLU 46 N -0.99 4.47 0.32 1.61 2.02 -1.26 0.14 118.70 125.01 1v61 s GLU 46 Ca 0.27 2.04 -0.12 0.00 0.02 0.00 0.00 54.97 57.18 1v61 s GLU 46 Cb -0.10 -3.11 0.02 0.00 0.10 0.00 0.00 34.13 31.04 1v61 s GLU 46 CO -0.09 -0.02 0.60 1.03 0.02 0.00 0.00 175.26 176.80 1v61 s ARG 47 N -1.66 1.87 -0.19 1.61 0.52 0.19 -4.86 118.95 116.43 1v61 s ARG 47 Ca 0.47 -1.39 0.01 0.00 -0.52 0.00 0.00 55.73 54.30 1v61 s ARG 47 Cb -0.36 0.53 0.02 0.00 0.52 0.00 0.00 34.95 35.66 1v61 s ARG 47 CO 0.48 -0.82 -0.18 -0.47 0.02 0.00 0.00 175.30 174.32 1v61 s TYR 48 N -3.28 2.85 -0.26 -0.53 5.04 0.59 -0.80 117.35 120.96 1v61 s TYR 48 Ca 0.21 -1.70 -0.07 0.00 -2.44 0.00 0.00 57.07 53.06 1v61 s TYR 48 Cb -0.03 -1.93 -0.01 0.00 0.35 0.00 0.00 41.96 40.34 1v61 s TYR 48 CO 0.12 -0.81 0.07 -0.06 -1.34 0.00 0.00 175.55 173.53 1v61 s PHE 49 N 1.27 3.09 -0.34 4.97 0.40 -1.25 0.30 117.98 126.43 1v61 s PHE 49 Ca 0.03 -0.66 -0.07 0.00 -0.60 0.00 0.00 56.93 55.63 1v61 s PHE 49 Cb -0.14 -2.24 0.04 0.00 0.51 0.00 0.00 43.02 41.19 1v61 s PHE 49 CO -0.12 -0.45 0.12 -0.51 0.70 0.00 0.00 175.22 174.96 1v61 s LEU 50 N 1.56 4.38 -0.40 -0.37 1.43 0.27 -3.98 118.68 121.58 1v61 s LEU 50 Ca 0.05 -1.10 -0.25 0.00 -1.03 0.00 0.00 54.13 51.81 1v61 s LEU 50 Cb -0.16 -1.90 0.02 0.00 0.03 0.00 0.00 46.19 44.18 1v61 s LEU 50 CO 0.03 -0.33 0.87 -0.22 0.23 0.00 0.00 176.35 176.92 1v61 s LEU 51 N 1.43 4.06 0.00 1.79 2.96 -1.22 -0.94 118.68 126.77 1v61 s LEU 51 Ca -0.01 0.32 0.22 0.00 -0.22 0.00 0.00 54.13 54.44 1v61 s LEU 51 Cb -0.19 -3.14 0.58 0.00 0.50 0.00 0.00 46.19 43.93 1v61 s LEU 51 CO 0.04 -0.88 1.47 0.49 -1.32 0.00 0.00 176.35 176.15 1v61 n PHE 52 N 6.77 0.32 -2.71 5.38 3.01 -0.79 0.81 117.46 130.26 1v61 n PHE 52 Ca 0.05 -0.16 -0.06 0.00 1.01 0.00 0.00 57.45 58.29 1v61 n PHE 52 Cb 0.48 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 39.98 1v61 n PHE 52 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1v61 n SER 53 N 0.88 -2.93 0.00 4.37 3.41 -1.26 -4.51 113.62 113.58 1v61 n SER 53 Ca 0.17 -0.16 0.00 0.00 -0.26 0.00 0.00 58.87 58.63 1v61 n SER 53 Cb 0.46 -1.78 0.00 0.00 -0.26 0.00 0.00 64.21 62.64 1v61 n SER 53 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1v61 n SER 54 N -0.22 0.00 -3.87 4.04 2.88 -1.26 -5.03 113.62 110.16 1v61 n SER 54 Ca -0.02 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.41 1v61 n SER 54 Cb 0.52 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.87 1v61 n SER 54 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1v61 s VAL 55 N 0.00 0.04 -0.67 2.46 0.11 -1.26 0.16 120.40 121.25 1v61 s VAL 55 Ca 0.00 -0.36 -0.12 0.00 -2.93 0.00 0.00 61.98 58.57 1v61 s VAL 55 Cb 0.00 -0.26 0.17 0.00 -1.53 0.00 0.00 36.38 34.76 1v61 s VAL 55 CO 0.00 -0.20 0.59 -0.22 -3.33 0.00 0.00 175.10 171.94 1v61 s LEU 56 N -0.63 6.24 0.04 2.54 1.98 0.55 -1.88 118.68 127.51 1v61 s LEU 56 Ca -0.07 -2.35 -0.30 0.00 -2.89 0.00 0.00 54.13 48.52 1v61 s LEU 56 Cb -0.04 -2.13 -0.04 0.00 0.66 0.00 0.00 46.19 44.63 1v61 s LEU 56 CO 0.00 -0.64 1.08 -0.63 -1.89 0.00 0.00 176.35 174.27 1v61 s ILE 57 N 0.71 4.46 -0.20 6.68 -1.09 -0.11 -2.48 121.20 129.18 1v61 s ILE 57 Ca 0.12 1.79 -0.03 0.00 -2.23 0.00 0.00 60.65 60.30 1v61 s ILE 57 Cb -0.19 -4.15 -0.01 0.00 -1.58 0.00 0.00 42.46 36.53 1v61 s ILE 57 CO -0.04 0.15 -0.07 -0.04 -1.23 0.00 0.00 174.94 173.72 1v61 s MET 58 N 0.94 3.36 0.26 2.79 -1.94 -1.15 0.97 119.30 124.54 1v61 s MET 58 Ca 0.55 -0.64 0.11 0.00 -1.71 0.00 0.00 55.69 53.99 1v61 s MET 58 Cb -0.25 -2.92 -0.05 0.00 2.01 0.00 0.00 34.83 33.62 1v61 s MET 58 CO 0.29 -0.12 -0.18 -0.51 -0.01 0.00 0.00 175.02 174.49 1v61 s LEU 59 N 1.25 2.58 0.03 -0.03 1.02 0.15 -2.81 118.68 120.87 1v61 s LEU 59 Ca 0.03 -1.03 -0.14 0.00 0.02 0.00 0.00 54.13 53.00 1v61 s LEU 59 Cb -0.14 -0.96 0.02 0.00 0.02 0.00 0.00 46.19 45.13 1v61 s LEU 59 CO -0.02 -0.03 0.32 -0.55 0.02 0.00 0.00 176.35 176.08 1v61 s SER 60 N -3.45 -0.16 -0.37 2.29 0.15 -1.00 -0.30 113.70 110.86 1v61 s SER 60 Ca 0.28 -0.11 0.04 0.00 0.70 0.00 0.00 55.95 56.85 1v61 s SER 60 Cb -0.03 0.36 0.11 0.00 -1.71 0.00 0.00 66.02 64.74 1v61 s SER 60 CO 0.12 -0.59 0.09 0.00 1.20 0.00 0.00 173.24 174.07 1v61 s ALA 61 N -2.30 2.98 1.01 5.45 0.00 -1.26 -1.10 121.76 126.53 1v61 s ALA 61 Ca -0.07 -2.68 -0.12 0.00 0.00 0.00 0.00 51.96 49.09 1v61 s ALA 61 Cb -0.02 -2.01 0.20 0.00 0.00 0.00 0.00 23.12 21.30 1v61 s ALA 61 CO -0.02 -1.75 1.08 -1.12 0.00 0.00 0.00 175.76 173.95 1v61 s SER 62 N 0.67 2.42 -1.10 0.00 0.01 -1.26 -4.85 113.70 109.58 1v61 s SER 62 Ca 0.12 1.34 -0.18 0.00 1.31 0.00 0.00 55.95 58.54 1v61 s SER 62 Cb -0.20 -2.03 -0.06 0.00 0.21 0.00 0.00 66.02 63.93 1v61 s SER 62 CO -0.06 -3.28 2.08 -0.81 0.41 0.00 0.00 173.24 171.57 1v61 n PRO 63 N -4.29 2.16 0.05 12.44 -0.04 -1.26 -4.14 135.00 139.91 1v61 n PRO 63 Ca 0.05 -2.20 0.00 0.00 -0.04 0.00 0.00 63.50 61.32 1v61 n PRO 63 Cb 0.56 -3.09 0.00 0.00 -0.04 0.00 0.00 33.50 30.94 1v61 n PRO 63 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1v61 n ARG 64 N 6.52 0.00 0.00 0.54 3.00 -1.26 -5.07 116.66 120.39 1v61 n ARG 64 Ca 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.36 1v61 n ARG 64 Cb 0.39 -0.48 0.00 0.00 0.00 0.00 0.00 32.46 32.38 1v61 n ARG 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1v61 n MET 65 N -3.41 0.00 -3.12 -0.14 0.00 -1.26 -5.15 117.12 104.05 1v61 n MET 65 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 1v61 n MET 65 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.31 1v61 n MET 65 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 1v61 n SER 66 N 0.00 0.00 0.00 3.17 7.64 -1.26 -5.13 113.62 118.03 1v61 n SER 66 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1v61 n SER 66 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1v61 n SER 66 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1v61 n GLY 67 N -0.07 0.60 3.63 0.23 0.00 -1.26 -4.88 105.19 103.45 1v61 n GLY 67 Ca 0.00 -1.54 -0.35 0.00 0.00 0.00 0.00 46.02 44.13 1v61 n GLY 67 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1v61 s PHE 68 N -2.12 3.16 -0.21 1.61 0.40 -1.26 -4.44 117.98 115.12 1v61 s PHE 68 Ca 0.00 0.05 -0.07 0.00 -0.60 0.00 0.00 56.93 56.32 1v61 s PHE 68 Cb 0.00 -1.90 -0.03 0.00 0.51 0.00 0.00 43.02 41.59 1v61 s PHE 68 CO 0.00 0.28 0.05 1.41 0.70 0.00 0.00 175.22 177.66 1v61 s MET 69 N -0.29 3.79 -0.52 0.44 1.75 -0.26 -0.73 119.30 123.47 1v61 s MET 69 Ca 0.07 -0.43 -0.23 0.00 -1.25 0.00 0.00 55.69 53.84 1v61 s MET 69 Cb -0.12 -3.21 0.04 0.00 2.84 0.00 0.00 34.83 34.37 1v61 s MET 69 CO 0.02 0.07 0.85 -0.47 -0.65 0.00 0.00 175.02 174.84 1v61 s TYR 70 N 0.92 2.88 -0.02 4.11 5.04 0.21 -2.37 117.35 128.11 1v61 s TYR 70 Ca 0.03 -0.07 -0.00 0.00 -2.44 0.00 0.00 57.07 54.59 1v61 s TYR 70 Cb -0.14 -3.89 -0.00 0.00 0.35 0.00 0.00 41.96 38.28 1v61 s TYR 70 CO 0.02 -1.22 -0.00 1.96 -1.34 0.00 0.00 175.55 174.98 1v61 h GLN 71 N 9.18 0.00 -3.75 4.97 1.08 -1.81 -3.41 115.11 121.37 1v61 h GLN 71 Ca -0.26 0.00 -0.14 0.00 -1.45 0.00 0.00 58.65 56.80 1v61 h GLN 71 Cb 1.08 0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 28.44 1v61 h GLN 71 CO 1.04 0.00 -0.09 0.20 -0.95 0.00 0.00 178.83 179.03 1v61 s GLY 72 N -2.35 0.90 0.09 3.46 0.00 -1.26 -5.08 107.32 103.08 1v61 s GLY 72 Ca -0.00 -1.12 0.05 0.00 0.00 0.00 0.00 44.72 43.65 1v61 s GLY 72 CO 0.00 -0.73 -0.13 -1.59 0.00 0.00 0.00 173.10 170.65 1v61 s LYS 73 N -3.38 0.88 -0.09 2.90 -2.85 -1.26 -2.95 119.74 112.98 1v61 s LYS 73 Ca 0.25 -1.08 -0.00 0.00 -1.00 0.00 0.00 55.97 54.13 1v61 s LYS 73 Cb -0.01 -0.78 0.02 0.00 -2.06 0.00 0.00 37.83 35.01 1v61 s LYS 73 CO 0.14 0.16 -0.05 0.42 0.10 0.00 0.00 175.35 176.11 1v61 s ILE 74 N -1.78 0.79 -0.07 3.79 1.01 -1.03 -4.92 121.20 118.98 1v61 s ILE 74 Ca 0.03 -0.16 -0.30 0.00 0.00 0.00 0.00 60.65 60.22 1v61 s ILE 74 Cb -0.07 -0.84 -0.03 0.00 0.01 0.00 0.00 42.46 41.53 1v61 s ILE 74 CO 0.02 0.32 1.23 -2.16 0.00 0.00 0.00 174.94 174.35 1v61 s PRO 75 N 1.64 4.32 0.60 2.79 0.04 -1.26 0.20 135.00 143.33 1v61 s PRO 75 Ca 0.02 1.70 0.29 0.00 0.04 0.00 0.00 61.00 63.04 1v61 s PRO 75 Cb -0.13 -3.60 1.39 0.00 0.04 0.00 0.00 34.50 32.20 1v61 s PRO 75 CO -0.06 -0.51 1.80 0.82 0.04 0.00 0.00 177.00 179.09 1v61 h ILE 76 N 5.11 0.28 0.21 0.56 1.08 0.12 0.78 117.51 125.65 1v61 h ILE 76 Ca -0.33 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.13 1v61 h ILE 76 Cb 1.15 0.51 -0.00 0.00 -3.07 0.00 0.00 36.82 35.41 1v61 h ILE 76 CO 0.90 0.00 -0.13 0.00 -0.69 0.00 0.00 178.15 178.23 1v61 h ALA 77 N 1.29 -0.99 0.00 1.87 0.00 -1.89 -2.31 119.26 117.24 1v61 h ALA 77 Ca 0.26 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1v61 h ALA 77 Cb 1.47 0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.51 1v61 h ALA 77 CO -0.00 -0.98 0.00 0.41 0.00 0.00 0.00 179.25 178.68 1v61 n GLY 78 N -1.17 -0.87 3.74 0.00 0.00 -0.51 -4.75 105.19 101.64 1v61 n GLY 78 Ca -0.04 -0.07 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 1v61 n GLY 78 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1v61 s MET 79 N -2.67 4.43 -0.25 1.61 0.00 0.15 -3.77 119.30 118.80 1v61 s MET 79 Ca 0.13 1.99 0.01 0.00 0.00 0.00 0.00 55.69 57.83 1v61 s MET 79 Cb 0.11 -3.21 0.06 0.00 0.00 0.00 0.00 34.83 31.79 1v61 s MET 79 CO 0.25 -0.19 -0.06 0.08 0.00 0.00 0.00 175.02 175.11 1v61 s VAL 80 N -0.00 1.71 0.08 10.11 1.01 -1.13 -4.88 120.40 127.29 1v61 s VAL 80 Ca 0.55 -1.39 0.09 0.00 0.00 0.00 0.00 61.98 61.23 1v61 s VAL 80 Cb -0.35 -1.96 -0.04 0.00 0.00 0.00 0.00 36.38 34.04 1v61 s VAL 80 CO 0.38 -0.13 -0.20 -0.69 0.00 0.00 0.00 175.10 174.46 1v61 s VAL 81 N 1.30 2.65 0.00 2.92 1.01 -1.26 -3.70 120.40 123.32 1v61 s VAL 81 Ca -0.05 -1.41 0.00 0.00 0.00 0.00 0.00 61.98 60.52 1v61 s VAL 81 Cb -0.19 -2.15 0.00 0.00 0.00 0.00 0.00 36.38 34.04 1v61 s VAL 81 CO -0.06 0.22 0.00 -0.46 0.00 0.00 0.00 175.10 174.79 1v61 n ASN 82 N 1.22 0.00 -4.47 3.32 0.23 -1.26 -5.02 115.26 109.28 1v61 n ASN 82 Ca -0.16 0.00 -0.62 0.00 -0.53 0.00 0.00 54.58 53.26 1v61 n ASN 82 Cb 0.52 0.00 -0.11 0.00 -2.08 0.00 0.00 39.78 38.12 1v61 n ASN 82 CO 0.00 0.00 0.00 -1.14 -0.93 0.00 0.00 177.26 175.19 1v61 n ARG 83 N 0.00 0.12 -1.05 -3.83 0.63 -1.26 -4.58 116.66 106.68 1v61 n ARG 83 Ca 0.00 0.04 -0.42 0.00 -0.92 0.00 0.00 57.85 56.54 1v61 n ARG 83 Cb 0.00 -1.58 -0.07 0.00 0.45 0.00 0.00 32.46 31.25 1v61 n ARG 83 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1v61 n LEU 84 N 6.24 3.20 -0.16 6.15 4.32 -1.22 -4.22 117.00 131.32 1v61 n LEU 84 Ca 0.44 -2.55 0.05 0.00 -0.02 0.00 0.00 56.01 53.93 1v61 n LEU 84 Cb -0.02 -1.01 0.09 0.00 -1.62 0.00 0.00 43.42 40.85 1v61 n LEU 84 CO 0.88 -0.92 0.55 -0.67 -1.22 0.00 0.00 177.39 176.01 1v61 n ASP 85 N 8.52 2.37 0.03 -1.43 -0.08 -1.26 -4.61 116.55 120.08 1v61 n ASP 85 Ca 0.49 -2.46 0.04 0.00 -1.51 0.00 0.00 54.79 51.35 1v61 n ASP 85 Cb 0.41 -0.22 0.21 0.00 2.34 0.00 0.00 41.12 43.86 1v61 n ASP 85 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1v61 n GLU 86 N -0.73 0.03 0.00 -0.67 4.71 -1.26 -4.49 120.64 118.24 1v61 n GLU 86 Ca 0.09 0.42 0.00 0.00 -0.01 0.00 0.00 57.16 57.66 1v61 n GLU 86 Cb 0.46 -1.58 0.00 0.00 -1.01 0.00 0.00 31.44 29.31 1v61 n GLU 86 CO 0.00 0.00 0.00 -0.89 0.09 0.00 0.00 177.13 176.33 1v61 n ILE 87 N -1.63 0.00 -1.84 -3.67 2.08 -1.26 -4.98 119.36 108.06 1v61 n ILE 87 Ca 0.01 0.00 -0.36 0.00 0.56 0.00 0.00 62.75 62.96 1v61 n ILE 87 Cb 0.08 0.00 0.04 0.00 -0.75 0.00 0.00 39.64 39.01 1v61 n ILE 87 CO 0.00 0.00 0.00 -1.84 0.56 0.00 0.00 176.55 175.27 1v61 n GLU 88 N 0.00 2.88 0.00 0.38 0.28 -1.26 -4.95 120.64 117.97 1v61 n GLU 88 Ca 0.00 -3.63 0.00 0.00 -0.16 0.00 0.00 57.16 53.37 1v61 n GLU 88 Cb 0.00 -2.27 0.00 0.00 1.43 0.00 0.00 31.44 30.60 1v61 n GLU 88 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1v61 n GLY 89 N -0.65 1.61 5.14 -1.84 0.00 -1.26 -4.95 105.19 103.25 1v61 n GLY 89 Ca 0.54 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1v61 n GLY 89 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1v61 n SER 90 N 3.96 0.00 -3.60 1.61 2.88 -1.26 -4.62 113.62 112.59 1v61 n SER 90 Ca 0.00 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.55 1v61 n SER 90 Cb 0.00 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.45 1v61 n SER 90 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1v61 s ASP 91 N -1.72 -0.01 0.00 -3.46 2.15 -1.26 -5.12 116.67 107.26 1v61 s ASP 91 Ca 0.00 -0.00 0.00 0.00 0.43 0.00 0.00 52.55 52.98 1v61 s ASP 91 Cb 0.00 0.01 0.00 0.00 -0.30 0.00 0.00 42.92 42.63 1v61 s ASP 91 CO 0.00 -0.01 0.00 0.00 -0.17 0.00 0.00 175.17 174.99 1v61 n MET 93 N 0.00 -1.72 -3.83 0.00 2.81 -1.26 -4.06 117.12 109.07 1v61 n MET 93 Ca 0.00 1.20 -0.06 0.00 -1.81 0.00 0.00 57.70 57.03 1v61 n MET 93 Cb 0.00 -2.17 0.00 0.00 -0.71 0.00 0.00 33.22 30.34 1v61 n MET 93 CO 0.00 0.00 0.00 -0.59 1.51 0.00 0.00 175.97 176.89 1v61 s PHE 94 N -2.31 -0.03 0.14 2.03 -0.71 -1.26 -3.41 117.98 112.42 1v61 s PHE 94 Ca 0.00 -0.47 0.07 0.00 -1.04 0.00 0.00 56.93 55.49 1v61 s PHE 94 Cb 0.00 0.74 -0.04 0.00 -1.21 0.00 0.00 43.02 42.51 1v61 s PHE 94 CO 0.00 -1.24 -0.15 -1.83 -1.34 0.00 0.00 175.22 170.66 1v61 s GLU 95 N -2.98 1.11 -0.43 1.99 4.04 -1.26 -2.87 118.70 118.30 1v61 s GLU 95 Ca 0.14 -1.31 0.02 0.00 0.04 0.00 0.00 54.97 53.86 1v61 s GLU 95 Cb -0.04 -1.03 0.13 0.00 0.02 0.00 0.00 34.13 33.20 1v61 s GLU 95 CO 0.07 0.20 0.21 0.42 -1.84 0.00 0.00 175.26 174.32 1v61 s ILE 96 N -2.18 1.53 0.32 1.83 1.01 0.33 -4.42 121.20 119.63 1v61 s ILE 96 Ca 0.12 -2.48 0.05 0.00 0.00 0.00 0.00 60.65 58.34 1v61 s ILE 96 Cb -0.05 -2.08 0.05 0.00 0.01 0.00 0.00 42.46 40.39 1v61 s ILE 96 CO 0.04 -0.84 0.39 0.35 0.00 0.00 0.00 174.94 174.89 1v61 n THR 97 N 3.71 0.00 0.00 2.92 -2.24 -1.24 -2.91 114.28 114.52 1v61 n THR 97 Ca 0.06 -1.12 0.00 0.00 -2.27 0.00 0.00 64.05 60.72 1v61 n THR 97 Cb 0.36 -0.59 0.00 0.00 -2.10 0.00 0.00 70.33 67.99 1v61 n THR 97 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1v61 n GLY 98 N 1.10 1.48 0.00 3.38 0.00 -1.25 -2.83 105.19 107.06 1v61 n GLY 98 Ca 0.06 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.34 1v61 n GLY 98 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1v61 n SER 99 N 0.00 0.00 0.00 1.61 3.41 -1.26 -4.75 113.62 112.63 1v61 n SER 99 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1v61 n SER 99 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1v61 n SER 99 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1v61 n THR 100 N 0.00 0.00 -2.65 6.66 5.66 -1.26 -5.03 114.28 117.66 1v61 n THR 100 Ca 0.00 0.00 -0.02 0.00 -3.05 0.00 0.00 64.05 60.98 1v61 n THR 100 Cb 0.00 0.00 0.09 0.00 -1.55 0.00 0.00 70.33 68.87 1v61 n THR 100 CO 0.00 0.00 0.00 0.55 -3.05 0.00 0.00 175.07 172.57 1v61 n VAL 101 N -2.12 0.00 -3.88 1.08 3.14 -1.26 -5.16 118.33 110.13 1v61 n VAL 101 Ca 0.00 -0.54 -0.11 0.00 -2.96 0.00 0.00 64.34 60.72 1v61 n VAL 101 Cb 0.00 0.91 -0.13 0.00 -1.06 0.00 0.00 33.84 33.56 1v61 n VAL 101 CO 0.00 0.00 0.00 -0.70 -6.46 0.00 0.00 176.83 169.67 1v61 s GLU 102 N 0.01 0.15 -0.07 1.45 2.56 -1.26 -5.14 118.70 116.41 1v61 s GLU 102 Ca 0.16 -0.11 0.04 0.00 0.00 0.00 0.00 54.97 55.06 1v61 s GLU 102 Cb 0.24 0.06 -0.00 0.00 2.00 0.00 0.00 34.13 36.43 1v61 s GLU 102 CO -0.17 -0.03 -0.20 0.50 -0.56 0.00 0.00 175.26 174.80 1v61 s ARG 103 N -0.41 2.33 -0.28 4.30 3.52 -1.26 -4.05 118.95 123.10 1v61 s ARG 103 Ca -0.05 -0.73 -0.08 0.00 -0.13 0.00 0.00 55.73 54.74 1v61 s ARG 103 Cb -0.03 -1.90 -0.01 0.00 -1.56 0.00 0.00 34.95 31.45 1v61 s ARG 103 CO -0.00 0.22 0.10 0.42 -0.81 0.00 0.00 175.30 175.24 1v61 s ILE 104 N 0.18 4.34 -0.62 4.11 1.01 -1.15 -4.90 121.20 124.17 1v61 s ILE 104 Ca -0.10 -0.40 -0.17 0.00 0.00 0.00 0.00 60.65 59.98 1v61 s ILE 104 Cb -0.15 -3.15 0.14 0.00 0.01 0.00 0.00 42.46 39.31 1v61 s ILE 104 CO 0.05 0.17 0.63 -0.69 0.00 0.00 0.00 174.94 175.09 1v61 s VAL 105 N 1.58 5.14 -0.49 2.92 1.01 -1.26 -0.51 120.40 128.80 1v61 s VAL 105 Ca 0.05 -1.51 -0.27 0.00 0.00 0.00 0.00 61.98 60.25 1v61 s VAL 105 Cb -0.16 -4.42 0.03 0.00 0.00 0.00 0.00 36.38 31.82 1v61 s VAL 105 CO 0.04 -1.00 1.04 -0.69 0.00 0.00 0.00 175.10 174.49 1v61 s VAL 106 N 1.73 4.31 0.47 2.92 1.01 -1.14 -4.01 120.40 125.69 1v61 s VAL 106 Ca 0.09 0.90 -0.22 0.00 0.00 0.00 0.00 61.98 62.74 1v61 s VAL 106 Cb -0.24 -4.54 -0.07 0.00 0.00 0.00 0.00 36.38 31.52 1v61 s VAL 106 CO 0.02 -0.99 1.15 -1.00 0.00 0.00 0.00 175.10 174.27 1v61 s HIS 107 N 4.18 2.86 0.00 5.22 3.76 0.17 -4.19 115.29 127.29 1v61 s HIS 107 Ca 0.41 1.54 0.00 0.00 -0.15 0.00 0.00 55.06 56.87 1v61 s HIS 107 Cb -0.09 -3.34 0.00 0.00 1.11 0.00 0.00 32.58 30.26 1v61 s HIS 107 CO 0.28 -1.46 0.00 0.00 -0.85 0.00 0.00 174.74 172.71 1v61 h ASN 109 N 0.00 -1.49 0.00 0.00 4.21 -2.01 -3.39 115.58 112.90 1v61 h ASN 109 Ca 0.00 0.31 0.00 0.00 1.21 0.00 0.00 56.30 57.82 1v61 h ASN 109 Cb 0.00 0.77 0.00 0.00 -1.12 0.00 0.00 38.32 37.97 1v61 h ASN 109 CO 0.00 -0.29 0.00 -3.20 -1.29 0.00 0.00 177.43 172.65 1v61 n ASN 110 N -5.45 0.00 0.00 5.81 5.15 -1.26 -4.62 115.26 114.88 1v61 n ASN 110 Ca 0.09 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.07 1v61 n ASN 110 Cb 0.39 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.64 1v61 n ASN 110 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1v61 n ASN 111 N 0.00 0.00 -0.56 1.20 2.85 -1.26 -4.92 115.26 112.57 1v61 n ASN 111 Ca 0.00 0.00 0.46 0.00 -0.11 0.00 0.00 54.58 54.93 1v61 n ASN 111 Cb 0.00 0.00 0.78 0.00 1.24 0.00 0.00 39.78 41.80 1v61 n ASN 111 CO 0.00 0.00 0.00 -0.61 -2.11 0.00 0.00 177.26 174.54 1v61 h GLN 112 N 0.00 0.01 -0.00 1.20 4.15 -2.03 1.17 115.11 119.62 1v61 h GLN 112 Ca 0.00 -0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.42 1v61 h GLN 112 Cb 0.00 -0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.69 1v61 h GLN 112 CO 0.00 0.01 0.00 -0.44 -1.93 0.00 0.00 178.83 176.47 1v61 h ASP 113 N 0.01 0.00 -0.41 -0.69 3.32 -2.01 -3.02 116.42 113.62 1v61 h ASP 113 Ca 0.81 -0.29 0.08 0.00 0.02 0.00 0.00 57.03 57.65 1v61 h ASP 113 Cb 3.16 -0.00 -0.07 0.00 0.22 0.00 0.00 39.33 42.65 1v61 h ASP 113 CO -0.05 0.29 -0.00 0.15 -1.72 0.00 0.00 179.24 177.90 1v61 h PHE 114 N -0.29 -0.03 -0.62 4.55 3.57 0.10 -2.03 116.94 122.20 1v61 h PHE 114 Ca 0.00 0.03 0.11 0.00 3.53 0.00 0.00 57.97 61.64 1v61 h PHE 114 Cb 0.29 0.08 -0.12 0.00 2.79 0.00 0.00 35.95 38.99 1v61 h PHE 114 CO 0.02 -0.09 -0.34 0.37 -2.23 0.00 0.00 178.31 176.04 1v61 h GLN 115 N 0.10 -0.15 -0.13 1.11 -0.00 -1.35 -0.04 115.11 114.66 1v61 h GLN 115 Ca 0.20 0.01 0.04 0.00 -0.00 0.00 0.00 58.65 58.90 1v61 h GLN 115 Cb 0.29 0.03 -0.07 0.00 0.00 0.00 0.00 27.48 27.74 1v61 h GLN 115 CO -0.34 -0.10 -0.46 1.49 0.00 0.00 0.00 178.83 179.41 1v61 h GLU 116 N -0.16 -0.51 -0.75 1.69 4.81 -1.25 1.50 114.58 119.91 1v61 h GLU 116 Ca 0.24 0.03 0.15 0.00 -0.13 0.00 0.00 59.36 59.65 1v61 h GLU 116 Cb 0.55 0.12 -0.14 0.00 0.63 0.00 0.00 28.75 29.91 1v61 h GLU 116 CO -0.70 -0.34 -0.22 -1.49 -0.73 0.00 0.00 179.01 175.53 1v61 h TRP 117 N -0.53 -0.52 0.00 0.92 4.06 -0.83 1.74 115.95 120.80 1v61 h TRP 117 Ca 0.06 0.07 -0.07 0.00 2.06 0.00 0.00 58.89 61.01 1v61 h TRP 117 Cb 0.65 0.34 -0.01 0.00 -1.00 0.00 0.00 29.16 29.15 1v61 h TRP 117 CO -0.52 -0.34 -0.34 0.52 -3.56 0.00 0.00 178.44 174.20 1v61 h MET 118 N -0.03 0.00 0.06 0.49 2.86 0.72 0.26 114.93 119.30 1v61 h MET 118 Ca 0.35 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.99 1v61 h MET 118 Cb 0.56 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.22 1v61 h MET 118 CO -0.79 0.34 -0.03 1.49 1.06 0.00 0.00 176.91 178.98 1v61 h GLU 119 N 0.00 -0.08 0.41 1.72 4.22 1.30 -2.36 114.58 119.79 1v61 h GLU 119 Ca -0.00 0.01 -0.02 0.00 0.08 0.00 0.00 59.36 59.42 1v61 h GLU 119 Cb 0.64 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.91 1v61 h GLU 119 CO 0.04 0.44 -0.20 -0.56 -2.18 0.00 0.00 179.01 176.56 1v61 h GLN 120 N -0.68 -0.53 -0.39 1.92 3.07 0.17 -2.70 115.11 115.97 1v61 h GLN 120 Ca -0.01 0.04 0.11 0.00 0.09 0.00 0.00 58.65 58.88 1v61 h GLN 120 Cb 0.57 0.12 -0.02 0.00 0.08 0.00 0.00 27.48 28.23 1v61 h GLN 120 CO 0.01 -0.22 0.58 -0.07 0.09 0.00 0.00 178.83 179.23 1v61 h LEU 121 N -0.93 0.00 -0.98 0.06 3.38 -0.61 2.41 115.31 118.63 1v61 h LEU 121 Ca -0.06 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.81 1v61 h LEU 121 Cb 0.56 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 1v61 h LEU 121 CO 0.09 0.00 -0.51 0.78 0.09 0.00 0.00 178.44 178.90 1v61 h ASN 122 N 0.00 0.01 0.00 -0.43 2.35 -1.08 -2.78 115.58 113.64 1v61 h ASN 122 Ca 0.18 -0.01 -0.33 0.00 -0.55 0.00 0.00 56.30 55.60 1v61 h ASN 122 Cb 1.35 -0.00 -0.06 0.00 0.05 0.00 0.00 38.32 39.65 1v61 h ASN 122 CO -0.00 0.52 -2.25 -2.11 -1.65 0.00 0.00 177.43 171.94 1v61 n ARG 123 N -3.94 0.66 0.00 0.81 1.85 0.67 -4.04 116.66 112.66 1v61 n ARG 123 Ca -0.01 0.11 0.00 0.00 -1.00 0.00 0.00 57.85 56.94 1v61 n ARG 123 Cb 0.52 -1.44 0.00 0.00 -1.05 0.00 0.00 32.46 30.49 1v61 n ARG 123 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1v61 n LEU 124 N -3.06 0.00 -0.15 2.89 4.77 0.60 -3.17 117.00 118.87 1v61 n LEU 124 Ca -0.37 0.75 -0.11 0.00 -0.03 0.00 0.00 56.01 56.25 1v61 n LEU 124 Cb 0.94 -0.25 -0.06 0.00 -2.33 0.00 0.00 43.42 41.72 1v61 n LEU 124 CO 0.25 -0.25 0.55 0.71 -1.33 0.00 0.00 177.39 177.31 1v61 h THR 125 N 0.00 0.06 -1.60 -5.08 1.35 -1.71 -3.41 112.91 102.52 1v61 h THR 125 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1v61 h THR 125 Cb 0.00 0.06 0.00 0.00 -1.73 0.00 0.00 68.15 66.48 1v61 h THR 125 CO 0.00 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 175.56 1v61 n LYS 126 N -5.40 -0.74 -3.63 4.72 5.02 -1.19 -4.84 118.16 112.10 1v61 n LYS 126 Ca -0.01 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 55.99 1v61 n LYS 126 Cb 0.35 0.00 -0.14 0.00 -0.02 0.00 0.00 35.03 35.22 1v61 n LYS 126 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1v61 s SER 127 N -1.38 3.58 0.74 4.39 0.15 -1.25 -4.79 113.70 115.14 1v61 s SER 127 Ca 0.00 -2.02 -0.16 0.00 0.70 0.00 0.00 55.95 54.48 1v61 s SER 127 Cb 0.00 -0.72 -0.00 0.00 -1.71 0.00 0.00 66.02 63.58 1v61 s SER 127 CO 0.00 -0.35 0.80 0.61 1.20 0.00 0.00 173.24 175.50 1v61 n GLY 128 N 4.32 -0.87 3.72 9.45 0.00 -1.26 -4.91 105.19 115.63 1v61 n GLY 128 Ca 0.04 -0.38 -0.42 0.00 0.00 0.00 0.00 46.02 45.26 1v61 n GLY 128 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1v61 s PRO 129 N -3.20 4.48 -0.32 1.61 0.04 -1.26 -4.30 135.00 132.05 1v61 s PRO 129 Ca 0.70 1.73 -0.02 0.00 0.04 0.00 0.00 61.00 63.44 1v61 s PRO 129 Cb -0.34 -3.34 0.00 0.00 0.04 0.00 0.00 34.50 30.87 1v61 s PRO 129 CO 0.54 -0.16 0.08 0.43 0.04 0.00 0.00 177.00 177.93 1v61 n SER 130 N 3.53 -7.90 -0.08 6.66 7.64 -1.26 -5.01 113.62 117.19 1v61 n SER 130 Ca 0.07 1.29 -0.09 0.00 1.01 0.00 0.00 58.87 61.16 1v61 n SER 130 Cb 0.47 -5.26 -0.03 0.00 -1.01 0.00 0.00 64.21 58.37 1v61 n SER 130 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1v61 n SER 131 N 0.56 1.86 0.00 6.43 2.88 -1.26 -5.26 113.62 118.83 1v61 n SER 131 Ca 0.02 0.50 0.00 0.00 -1.33 0.00 0.00 58.87 58.06 1v61 n SER 131 Cb 0.06 -0.83 0.00 0.00 -0.75 0.00 0.00 64.21 62.69 1v61 n SER 131 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42