#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sk0 s ILE 4 N 0.00 1.62 -0.05 -1.44 1.01 -1.26 -3.85 121.20 117.23 1sk0 s ILE 4 Ca 0.00 -0.86 0.05 0.00 0.00 0.00 0.00 60.65 59.84 1sk0 s ILE 4 Cb 0.00 -1.36 -0.00 0.00 0.01 0.00 0.00 42.46 41.10 1sk0 s ILE 4 CO 0.00 0.46 -0.19 -0.89 0.00 0.00 0.00 174.94 174.32 1sk0 s THR 5 N -0.29 1.62 -0.08 2.92 2.01 -0.48 0.51 115.64 121.85 1sk0 s THR 5 Ca 0.03 -0.81 0.03 0.00 0.31 0.00 0.00 61.69 61.25 1sk0 s THR 5 Cb -0.10 -1.39 0.01 0.00 0.01 0.00 0.00 72.50 71.03 1sk0 s THR 5 CO 0.01 0.46 -0.18 -0.51 -0.69 0.00 0.00 174.62 173.71 1sk0 s ILE 6 N 0.06 1.58 -0.72 1.82 2.07 -0.27 -0.46 121.20 125.29 1sk0 s ILE 6 Ca -0.06 -0.74 -0.23 0.00 -1.41 0.00 0.00 60.65 58.21 1sk0 s ILE 6 Cb -0.13 -1.39 0.07 0.00 0.13 0.00 0.00 42.46 41.14 1sk0 s ILE 6 CO 0.03 0.45 1.07 -0.31 -1.91 0.00 0.00 174.94 174.28 1sk0 s TYR 7 N 0.46 2.62 -0.06 3.50 1.51 -0.05 -1.31 117.35 124.02 1sk0 s TYR 7 Ca -0.16 -0.53 0.00 0.00 -1.01 0.00 0.00 57.07 55.37 1sk0 s TYR 7 Cb -0.16 -4.38 -0.03 0.00 -0.11 0.00 0.00 41.96 37.27 1sk0 s TYR 7 CO 0.06 -1.74 -0.05 -1.58 -1.11 0.00 0.00 175.55 171.13 1sk0 s HIS 8 N 4.34 3.00 -0.30 2.71 2.46 0.23 -3.31 115.29 124.42 1sk0 s HIS 8 Ca 0.27 0.06 0.03 0.00 0.47 0.00 0.00 55.06 55.89 1sk0 s HIS 8 Cb -0.13 -1.72 0.08 0.00 -0.13 0.00 0.00 32.58 30.68 1sk0 s HIS 8 CO 0.08 0.38 -0.01 1.21 -2.47 0.00 0.00 174.74 173.93 1sk0 s ASN 9 N -0.93 4.53 0.40 9.88 3.84 -1.26 -3.89 114.94 127.51 1sk0 s ASN 9 Ca 0.13 -1.78 0.27 0.00 0.21 0.00 0.00 52.86 51.70 1sk0 s ASN 9 Cb -0.11 -1.51 1.44 0.00 -0.55 0.00 0.00 41.25 40.52 1sk0 s ASN 9 CO 0.03 -0.30 1.84 -0.65 -2.79 0.00 0.00 177.10 175.22 1sk0 h PRO 10 N 7.73 0.00 -3.10 0.43 0.11 -1.98 -3.41 132.00 131.78 1sk0 h PRO 10 Ca -0.11 0.00 -0.77 0.00 0.11 0.00 0.00 66.00 65.23 1sk0 h PRO 10 Cb 1.03 0.00 -0.18 0.00 0.11 0.00 0.00 31.00 31.96 1sk0 h PRO 10 CO 0.49 0.00 1.75 0.00 -0.21 0.00 0.00 178.00 180.03 1sk0 n ALA 11 N -1.86 5.67 -0.03 -0.75 0.00 -1.26 -4.84 120.51 117.45 1sk0 n ALA 11 Ca -0.01 -4.41 -0.05 0.00 0.00 0.00 0.00 53.44 48.98 1sk0 n ALA 11 Cb 0.07 -2.74 -0.03 0.00 0.00 0.00 0.00 19.45 16.76 1sk0 n ALA 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sk0 n GLY 13 N 2.03 -0.08 0.37 0.00 0.00 -1.26 -5.08 105.19 101.17 1sk0 n GLY 13 Ca 0.42 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.40 1sk0 n GLY 13 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1sk0 h THR 14 N -0.05 1.18 -0.35 2.61 2.02 -1.94 0.25 112.91 116.63 1sk0 h THR 14 Ca -0.13 -0.42 -0.12 0.00 0.77 0.00 0.00 66.41 66.50 1sk0 h THR 14 Cb 1.18 -0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 67.43 1sk0 h THR 14 CO -0.04 0.22 -0.26 -1.28 0.37 0.00 0.00 175.52 174.54 1sk0 h SER 15 N 1.23 0.83 -0.38 4.18 0.87 -1.84 0.06 113.55 118.50 1sk0 h SER 15 Ca 0.38 -0.44 -0.01 0.00 -1.23 0.00 0.00 61.79 60.48 1sk0 h SER 15 Cb -0.03 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 61.68 1sk0 h SER 15 CO -0.11 1.10 0.18 0.03 -0.53 0.00 0.00 176.83 177.50 1sk0 h ARG 16 N 0.57 0.55 -1.01 2.24 3.08 -1.61 -1.33 114.38 116.87 1sk0 h ARG 16 Ca 0.07 -0.08 0.02 0.00 0.07 0.00 0.00 59.98 60.05 1sk0 h ARG 16 Cb 0.83 -0.10 -0.05 0.00 0.08 0.00 0.00 29.97 30.73 1sk0 h ARG 16 CO 0.07 0.48 0.67 -0.91 -1.07 0.00 0.00 179.97 179.21 1sk0 h ASN 17 N 0.48 1.15 -0.31 7.04 2.35 -0.39 -1.33 115.58 124.56 1sk0 h ASN 17 Ca 0.13 -0.03 -0.04 0.00 -0.55 0.00 0.00 56.30 55.82 1sk0 h ASN 17 Cb 0.12 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.19 1sk0 h ASN 17 CO -0.02 0.82 0.05 0.74 -1.65 0.00 0.00 177.43 177.38 1sk0 h THR 18 N 1.35 1.23 -0.68 2.81 2.02 -0.62 -1.09 112.91 117.93 1sk0 h THR 18 Ca 0.38 -0.80 0.05 0.00 0.77 0.00 0.00 66.41 66.80 1sk0 h THR 18 Cb -0.12 1.15 -0.05 0.00 -1.74 0.00 0.00 68.15 67.39 1sk0 h THR 18 CO -0.09 0.26 0.40 0.25 0.37 0.00 0.00 175.52 176.72 1sk0 h LEU 19 N 0.35 0.62 -0.75 2.58 5.85 -0.86 -0.68 115.31 122.43 1sk0 h LEU 19 Ca 0.10 0.02 -0.13 0.00 0.84 0.00 0.00 57.88 58.70 1sk0 h LEU 19 Cb 0.34 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 1sk0 h LEU 19 CO 0.01 0.41 -0.62 -0.33 -0.34 0.00 0.00 178.44 177.56 1sk0 h GLU 20 N 0.76 0.01 -0.45 1.25 4.39 -0.97 -1.56 114.58 118.01 1sk0 h GLU 20 Ca 0.29 -0.01 -0.10 0.00 0.34 0.00 0.00 59.36 59.89 1sk0 h GLU 20 Cb 0.13 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.76 1sk0 h GLU 20 CO -0.15 0.63 -0.11 0.52 -1.16 0.00 0.00 179.01 178.74 1sk0 h MET 21 N 0.01 0.82 -0.04 2.33 2.86 -0.31 0.18 114.93 120.77 1sk0 h MET 21 Ca -0.01 -0.28 0.00 0.00 -2.06 0.00 0.00 59.70 57.36 1sk0 h MET 21 Cb 1.10 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 32.70 1sk0 h MET 21 CO 0.08 0.90 0.02 0.82 1.06 0.00 0.00 176.91 179.79 1sk0 h ILE 22 N 0.74 1.00 -0.69 -1.22 2.04 -0.76 -2.26 117.51 116.35 1sk0 h ILE 22 Ca 0.12 -0.01 0.01 0.00 1.00 0.00 0.00 64.86 65.97 1sk0 h ILE 22 Cb 0.60 0.95 -0.03 0.00 -0.74 0.00 0.00 36.82 37.60 1sk0 h ILE 22 CO 0.04 0.01 0.45 0.03 0.00 0.00 0.00 178.15 178.68 1sk0 h ARG 23 N 0.04 0.92 0.00 2.37 3.08 -1.02 -0.32 114.38 119.44 1sk0 h ARG 23 Ca 0.02 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1sk0 h ARG 23 Cb 0.00 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 29.85 1sk0 h ARG 23 CO -0.01 0.61 0.00 -1.71 -1.07 0.00 0.00 179.97 177.79 1sk0 n ASN 24 N -4.43 0.00 -0.42 7.04 4.05 0.03 -0.92 115.26 120.61 1sk0 n ASN 24 Ca 0.07 0.29 0.13 0.00 0.45 0.00 0.00 54.58 55.52 1sk0 n ASN 24 Cb 0.04 -0.39 0.34 0.00 1.23 0.00 0.00 39.78 41.00 1sk0 n ASN 24 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 177.26 172.67 1sk0 n SER 25 N -1.39 1.50 0.00 1.20 3.41 -0.13 -0.96 113.62 117.25 1sk0 n SER 25 Ca 0.05 -1.27 0.00 0.00 -0.26 0.00 0.00 58.87 57.39 1sk0 n SER 25 Cb 0.14 0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.22 1sk0 n SER 25 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1sk0 n GLY 26 N 1.30 0.85 3.20 5.00 0.00 -0.10 -4.73 105.19 110.72 1sk0 n GLY 26 Ca 0.14 -0.17 -0.20 0.00 0.00 0.00 0.00 46.02 45.78 1sk0 n GLY 26 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sk0 s THR 27 N -2.00 1.30 -0.34 2.61 -4.23 -1.24 -5.06 115.64 106.69 1sk0 s THR 27 Ca 0.00 -1.35 -0.18 0.00 -1.18 0.00 0.00 61.69 58.98 1sk0 s THR 27 Cb 0.00 -1.22 -0.01 0.00 1.34 0.00 0.00 72.50 72.62 1sk0 s THR 27 CO 0.00 -0.14 0.52 -0.70 -0.54 0.00 0.00 174.62 173.76 1sk0 s GLU 28 N -1.72 3.69 0.66 3.99 2.56 -1.26 -3.69 118.70 122.93 1sk0 s GLU 28 Ca 0.01 -0.07 -0.09 0.00 0.00 0.00 0.00 54.97 54.82 1sk0 s GLU 28 Cb -0.10 -3.79 0.01 0.00 2.00 0.00 0.00 34.13 32.26 1sk0 s GLU 28 CO 0.03 -0.61 1.01 -1.25 -0.56 0.00 0.00 175.26 173.88 1sk0 s PRO 29 N 2.41 2.88 0.09 4.30 0.04 -1.26 -4.86 135.00 138.59 1sk0 s PRO 29 Ca 0.20 0.25 -0.31 0.00 0.04 0.00 0.00 61.00 61.18 1sk0 s PRO 29 Cb -0.15 -2.13 -0.07 0.00 0.04 0.00 0.00 34.50 32.19 1sk0 s PRO 29 CO 0.13 -0.90 1.30 0.99 0.04 0.00 0.00 177.00 178.56 1sk0 s THR 30 N -3.20 3.65 -0.23 1.26 2.01 0.18 -4.93 115.64 114.38 1sk0 s THR 30 Ca 0.56 1.19 -0.04 0.00 0.31 0.00 0.00 61.69 63.71 1sk0 s THR 30 Cb -0.11 -3.76 0.00 0.00 0.01 0.00 0.00 72.50 68.64 1sk0 s THR 30 CO 0.49 0.09 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.85 1sk0 s ILE 31 N 1.07 3.31 -0.27 1.82 1.01 -1.26 -1.11 121.20 125.77 1sk0 s ILE 31 Ca 0.62 -0.64 -0.06 0.00 0.00 0.00 0.00 60.65 60.57 1sk0 s ILE 31 Cb -0.33 -2.56 -0.00 0.00 0.01 0.00 0.00 42.46 39.57 1sk0 s ILE 31 CO 0.30 0.34 0.05 -0.63 0.00 0.00 0.00 174.94 174.99 1sk0 s ILE 32 N 1.45 3.87 -1.08 2.92 1.01 -0.43 -4.99 121.20 123.94 1sk0 s ILE 32 Ca 0.04 -0.57 -0.22 0.00 0.00 0.00 0.00 60.65 59.90 1sk0 s ILE 32 Cb -0.15 -2.92 0.04 0.00 0.01 0.00 0.00 42.46 39.44 1sk0 s ILE 32 CO -0.03 0.20 1.61 -0.76 0.00 0.00 0.00 174.94 175.95 1sk0 s LEU 33 N 1.51 3.52 0.55 2.97 1.43 -1.26 -0.60 118.68 126.80 1sk0 s LEU 33 Ca 0.04 -1.62 0.24 0.00 -1.03 0.00 0.00 54.13 51.76 1sk0 s LEU 33 Cb -0.16 -2.57 1.46 0.00 0.03 0.00 0.00 46.19 44.95 1sk0 s LEU 33 CO 0.01 -1.66 2.08 0.10 0.23 0.00 0.00 176.35 177.12 1sk0 h TYR 34 N 9.42 0.00 -0.07 0.29 -0.00 -1.75 0.53 116.97 125.40 1sk0 h TYR 34 Ca 0.25 0.00 -0.03 0.00 0.00 0.00 0.00 58.73 58.95 1sk0 h TYR 34 Cb 0.97 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.69 1sk0 h TYR 34 CO 1.31 0.00 -0.08 -0.07 -0.00 0.00 0.00 178.16 179.32 1sk0 h LEU 35 N 0.00 0.09 0.00 0.10 3.38 -1.87 -2.50 115.31 114.51 1sk0 h LEU 35 Ca 0.12 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 1sk0 h LEU 35 Cb 0.53 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1sk0 h LEU 35 CO -0.00 0.19 -1.62 -1.84 0.09 0.00 0.00 178.44 175.26 1sk0 n GLU 36 N -4.39 0.68 -3.26 1.13 0.28 -0.18 -4.72 120.64 110.19 1sk0 n GLU 36 Ca -0.02 -0.10 -0.26 0.00 -0.16 0.00 0.00 57.16 56.63 1sk0 n GLU 36 Cb 0.19 -1.30 -0.07 0.00 1.43 0.00 0.00 31.44 31.69 1sk0 n GLU 36 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1sk0 n ASN 37 N -2.03 2.80 -4.76 -1.84 3.02 0.00 -5.10 115.26 107.36 1sk0 n ASN 37 Ca -0.05 -3.27 -0.32 0.00 -0.03 0.00 0.00 54.58 50.90 1sk0 n ASN 37 Cb 0.43 -0.64 0.08 0.00 -0.61 0.00 0.00 39.78 39.04 1sk0 n ASN 37 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1sk0 s PRO 38 N -2.35 2.35 0.89 3.52 0.04 -0.95 -4.31 135.00 134.18 1sk0 s PRO 38 Ca 0.40 1.36 -0.10 0.00 0.04 0.00 0.00 61.00 62.70 1sk0 s PRO 38 Cb 0.20 -1.90 0.13 0.00 0.04 0.00 0.00 34.50 32.97 1sk0 s PRO 38 CO -0.06 -1.60 1.14 -1.25 0.04 0.00 0.00 177.00 175.27 1sk0 s PRO 39 N -4.44 1.25 0.92 0.56 0.04 -1.26 -5.02 135.00 127.05 1sk0 s PRO 39 Ca 0.65 1.49 -0.12 0.00 0.04 0.00 0.00 61.00 63.06 1sk0 s PRO 39 Cb -0.20 -1.76 0.14 0.00 0.04 0.00 0.00 34.50 32.72 1sk0 s PRO 39 CO 0.49 -2.45 1.10 -1.54 0.04 0.00 0.00 177.00 174.64 1sk0 s SER 40 N -2.79 3.37 0.19 6.66 1.04 -1.26 -4.75 113.70 116.16 1sk0 s SER 40 Ca 0.66 1.29 -0.12 0.00 0.48 0.00 0.00 55.95 58.26 1sk0 s SER 40 Cb -0.22 -1.96 0.21 0.00 0.10 0.00 0.00 66.02 64.15 1sk0 s SER 40 CO 0.57 -2.68 1.74 -0.09 0.98 0.00 0.00 173.24 173.76 1sk0 h ARG 41 N -1.58 0.32 -0.38 4.02 2.43 -1.98 0.26 114.38 117.47 1sk0 h ARG 41 Ca -0.51 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 58.62 1sk0 h ARG 41 Cb 1.30 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.76 1sk0 h ARG 41 CO 0.57 0.21 0.17 -0.44 -1.51 0.00 0.00 179.97 178.97 1sk0 h ASP 42 N 0.33 0.51 -0.66 -3.80 3.32 -2.00 0.98 116.42 115.10 1sk0 h ASP 42 Ca 0.26 -0.15 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 1sk0 h ASP 42 Cb 0.32 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.70 1sk0 h ASP 42 CO -0.29 0.52 0.38 -0.08 -1.72 0.00 0.00 179.24 178.05 1sk0 h GLU 43 N 0.47 0.92 -0.40 3.56 4.57 -1.82 -1.97 114.58 119.91 1sk0 h GLU 43 Ca 0.13 -0.10 -0.06 0.00 -1.18 0.00 0.00 59.36 58.15 1sk0 h GLU 43 Cb 0.15 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 28.55 1sk0 h GLU 43 CO -0.01 0.67 0.02 1.25 -1.18 0.00 0.00 179.01 179.76 1sk0 h LEU 44 N 0.91 0.67 -0.94 1.64 5.85 -0.04 -0.78 115.31 122.60 1sk0 h LEU 44 Ca 0.24 -0.29 0.06 0.00 0.84 0.00 0.00 57.88 58.72 1sk0 h LEU 44 Cb 0.01 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 40.80 1sk0 h LEU 44 CO -0.04 0.79 0.60 0.58 -0.34 0.00 0.00 178.44 180.04 1sk0 h VAL 45 N 0.52 1.09 -0.36 1.05 2.07 -0.62 -2.17 116.25 117.83 1sk0 h VAL 45 Ca 0.12 -0.38 -0.04 0.00 0.82 0.00 0.00 66.70 67.22 1sk0 h VAL 45 Cb 0.44 -0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.07 1sk0 h VAL 45 CO 0.02 0.20 0.09 0.50 0.02 0.00 0.00 177.57 178.40 1sk0 h LYS 46 N 1.11 0.58 -0.51 1.57 3.64 -0.89 -0.80 116.57 121.26 1sk0 h LYS 46 Ca 0.40 -0.14 0.06 0.00 -1.27 0.00 0.00 60.65 59.71 1sk0 h LYS 46 Cb 0.13 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 31.82 1sk0 h LYS 46 CO -0.16 0.62 0.21 -0.07 -2.27 0.00 0.00 179.45 177.77 1sk0 h LEU 47 N 0.43 0.24 -0.29 5.20 3.38 -0.90 0.11 115.31 123.47 1sk0 h LEU 47 Ca 0.11 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 1sk0 h LEU 47 Cb 0.30 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1sk0 h LEU 47 CO 0.00 0.17 0.11 0.40 0.09 0.00 0.00 178.44 179.20 1sk0 h ILE 48 N 0.40 1.19 -0.67 1.22 2.04 -1.12 0.67 117.51 121.25 1sk0 h ILE 48 Ca 0.24 -0.58 0.05 0.00 1.00 0.00 0.00 64.86 65.57 1sk0 h ILE 48 Cb 0.23 1.03 -0.05 0.00 -0.74 0.00 0.00 36.82 37.29 1sk0 h ILE 48 CO -0.23 0.20 0.39 0.00 0.00 0.00 0.00 178.15 178.51 1sk0 h ALA 49 N 0.95 0.88 -0.02 1.87 0.00 -0.64 -2.83 119.26 119.47 1sk0 h ALA 49 Ca 0.09 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.87 1sk0 h ALA 49 Cb 0.20 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1sk0 h ALA 49 CO -0.01 0.10 -0.62 -0.44 0.00 0.00 0.00 179.25 178.28 1sk0 h ASP 50 N 0.74 0.07 0.68 0.00 3.45 -0.04 -2.73 116.42 118.59 1sk0 h ASP 50 Ca 0.28 -0.04 0.00 0.00 0.43 0.00 0.00 57.03 57.70 1sk0 h ASP 50 Cb 0.11 -0.02 0.00 0.00 -0.56 0.00 0.00 39.33 38.86 1sk0 h ASP 50 CO -0.15 0.68 0.00 0.24 -1.57 0.00 0.00 179.24 178.44 1sk0 h MET 51 N 0.05 0.00 -1.29 3.56 2.86 -0.65 -3.40 114.93 116.06 1sk0 h MET 51 Ca -0.01 0.00 -0.30 0.00 -2.06 0.00 0.00 59.70 57.34 1sk0 h MET 51 Cb 1.11 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 32.70 1sk0 h MET 51 CO 0.09 0.00 -0.32 0.41 1.06 0.00 0.00 176.91 178.15 1sk0 n GLY 52 N -0.31 0.77 3.71 8.32 0.00 -1.03 -4.82 105.19 111.83 1sk0 n GLY 52 Ca -0.00 -0.30 -0.27 0.00 0.00 0.00 0.00 46.02 45.44 1sk0 n GLY 52 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1sk0 s ILE 53 N -2.62 2.01 0.68 -0.61 -4.36 -1.25 -5.11 121.20 109.93 1sk0 s ILE 53 Ca 0.00 -1.83 -0.11 0.00 -0.26 0.00 0.00 60.65 58.45 1sk0 s ILE 53 Cb 0.00 -2.84 -0.00 0.00 1.25 0.00 0.00 42.46 40.87 1sk0 s ILE 53 CO 0.00 0.00 1.05 -0.94 0.24 0.00 0.00 174.94 175.29 1sk0 s SER 54 N -3.85 5.53 0.17 4.36 1.04 -1.26 -4.82 113.70 114.86 1sk0 s SER 54 Ca 0.34 1.58 -0.15 0.00 0.48 0.00 0.00 55.95 58.21 1sk0 s SER 54 Cb 0.05 -2.49 0.07 0.00 0.10 0.00 0.00 66.02 63.75 1sk0 s SER 54 CO 0.18 -1.34 1.81 0.58 0.98 0.00 0.00 173.24 175.45 1sk0 h VAL 55 N -0.64 1.05 -0.13 5.02 2.07 -1.95 -2.45 116.25 119.22 1sk0 h VAL 55 Ca -0.44 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 66.88 1sk0 h VAL 55 Cb 1.21 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 1sk0 h VAL 55 CO 0.58 0.10 -0.01 -0.09 0.02 0.00 0.00 177.57 178.17 1sk0 h ARG 56 N 0.54 0.18 0.00 1.57 2.43 -1.94 -1.16 114.38 116.00 1sk0 h ARG 56 Ca 0.18 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 1sk0 h ARG 56 Cb 0.01 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.53 1sk0 h ARG 56 CO -0.08 0.21 0.00 0.00 -1.51 0.00 0.00 179.97 178.58 1sk0 h ALA 57 N 1.82 1.00 0.00 2.80 0.00 -1.81 -2.02 119.26 121.05 1sk0 h ALA 57 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1sk0 h ALA 57 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1sk0 h ALA 57 CO 0.00 0.00 -0.03 -0.11 0.00 0.00 0.00 179.25 179.11 1sk0 n LEU 58 N -2.94 0.29 -4.71 0.00 7.94 -0.44 -4.86 117.00 112.29 1sk0 n LEU 58 Ca 0.01 0.50 -0.42 0.00 -1.11 0.00 0.00 56.01 54.99 1sk0 n LEU 58 Cb 0.29 -0.43 -0.03 0.00 0.53 0.00 0.00 43.42 43.79 1sk0 n LEU 58 CO 0.26 -0.06 0.94 -0.76 -1.11 0.00 0.00 177.39 176.66 1sk0 s LEU 59 N -3.52 4.35 -0.13 -1.96 1.43 -0.76 -0.75 118.68 117.34 1sk0 s LEU 59 Ca 0.13 2.03 -0.29 0.00 -1.03 0.00 0.00 54.13 54.96 1sk0 s LEU 59 Cb 0.17 -3.57 -0.03 0.00 0.03 0.00 0.00 46.19 42.79 1sk0 s LEU 59 CO 0.56 -0.53 1.36 0.00 0.23 0.00 0.00 176.35 177.97 1sk0 s ALA 60 N 1.39 3.65 0.59 4.21 0.00 0.44 -4.75 121.76 127.28 1sk0 s ALA 60 Ca 0.59 0.59 -0.04 0.00 0.00 0.00 0.00 51.96 53.11 1sk0 s ALA 60 Cb -0.30 -3.65 0.03 0.00 0.00 0.00 0.00 23.12 19.20 1sk0 s ALA 60 CO 0.28 -1.22 0.87 0.15 0.00 0.00 0.00 175.76 175.84 1sk0 s LYS 61 N 3.59 2.66 -1.13 0.00 1.02 -1.26 -4.36 119.74 120.27 1sk0 s LYS 61 Ca 0.60 -0.31 -0.02 0.00 0.02 0.00 0.00 55.97 56.26 1sk0 s LYS 61 Cb -0.25 -2.33 0.00 0.00 -0.52 0.00 0.00 37.83 34.73 1sk0 s LYS 61 CO 0.19 -0.78 0.20 0.09 -0.92 0.00 0.00 175.35 174.12 1sk0 n ASN 62 N -2.55 -4.47 -4.35 2.83 3.02 -1.26 -5.01 115.26 103.47 1sk0 n ASN 62 Ca 0.06 -0.10 -0.25 0.00 -0.03 0.00 0.00 54.58 54.26 1sk0 n ASN 62 Cb 0.59 -3.49 -0.12 0.00 -0.61 0.00 0.00 39.78 36.14 1sk0 n ASN 62 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1sk0 s VAL 63 N -2.83 1.97 0.19 2.41 -7.23 -1.26 -5.05 120.40 108.60 1sk0 s VAL 63 Ca 0.10 -1.78 -0.11 0.00 -1.81 0.00 0.00 61.98 58.37 1sk0 s VAL 63 Cb -0.04 -1.83 0.12 0.00 0.56 0.00 0.00 36.38 35.18 1sk0 s VAL 63 CO 0.12 -0.11 1.74 -0.08 -0.31 0.00 0.00 175.10 176.46 1sk0 h GLU 64 N 3.64 0.34 -0.41 4.82 4.81 -1.95 -1.66 114.58 124.16 1sk0 h GLU 64 Ca -0.46 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 58.69 1sk0 h GLU 64 Cb 1.19 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.48 1sk0 h GLU 64 CO 0.44 0.22 0.01 -1.35 -0.73 0.00 0.00 179.01 177.60 1sk0 h PRO 65 N 0.35 0.65 -0.66 0.92 0.11 -1.97 -0.35 132.00 131.05 1sk0 h PRO 65 Ca 0.27 -0.15 0.00 0.00 0.11 0.00 0.00 66.00 66.23 1sk0 h PRO 65 Cb 0.32 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 31.31 1sk0 h PRO 65 CO -0.29 0.66 0.42 -0.92 -0.21 0.00 0.00 178.00 177.66 1sk0 h TYR 66 N 0.62 0.84 0.19 0.65 5.03 -1.61 -0.16 116.97 122.52 1sk0 h TYR 66 Ca 0.13 0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.44 1sk0 h TYR 66 Cb 0.37 -0.28 0.00 0.00 1.55 0.00 0.00 36.73 38.37 1sk0 h TYR 66 CO 0.02 0.54 -0.09 0.93 -1.32 0.00 0.00 178.16 178.24 1sk0 h GLU 67 N 0.89 -0.24 0.00 1.82 5.08 -1.19 -2.34 114.58 118.60 1sk0 h GLU 67 Ca 0.24 0.02 -0.12 0.00 -1.00 0.00 0.00 59.36 58.49 1sk0 h GLU 67 Cb -0.08 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 1sk0 h GLU 67 CO -0.05 0.12 -0.57 1.96 -1.00 0.00 0.00 179.01 179.47 1sk0 h GLN 68 N -0.66 0.00 -0.01 2.33 4.20 -1.04 -2.31 115.11 117.61 1sk0 h GLN 68 Ca -0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.68 1sk0 h GLN 68 Cb 0.47 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.25 1sk0 h GLN 68 CO 0.04 0.57 -0.02 1.28 -0.67 0.00 0.00 178.83 180.03 1sk0 n LEU 69 N -3.57 0.81 -0.82 1.46 4.77 -0.08 -4.93 117.00 114.63 1sk0 n LEU 69 Ca -0.00 -0.24 -0.09 0.00 -0.03 0.00 0.00 56.01 55.65 1sk0 n LEU 69 Cb 0.64 -0.03 -0.02 0.00 -2.33 0.00 0.00 43.42 41.68 1sk0 n LEU 69 CO 0.41 0.14 -0.10 0.61 -1.33 0.00 0.00 177.39 177.12 1sk0 n GLY 70 N 1.13 0.59 0.07 -0.72 0.00 -0.87 -4.88 105.19 100.51 1sk0 n GLY 70 Ca 0.20 -0.58 0.09 0.00 0.00 0.00 0.00 46.02 45.73 1sk0 n GLY 70 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1sk0 n LEU 71 N -1.12 0.34 0.26 0.99 4.77 -0.89 -1.78 117.00 119.56 1sk0 n LEU 71 Ca -0.10 0.59 0.12 0.00 -0.03 0.00 0.00 56.01 56.59 1sk0 n LEU 71 Cb 0.42 -0.54 0.68 0.00 -2.33 0.00 0.00 43.42 41.64 1sk0 n LEU 71 CO 0.13 -0.42 0.94 0.00 -1.33 0.00 0.00 177.39 176.71 1sk0 h ALA 72 N 2.36 1.25 -2.54 -1.18 0.00 -1.90 -3.44 119.26 113.81 1sk0 h ALA 72 Ca 0.00 -0.13 -0.48 0.00 0.00 0.00 0.00 54.91 54.30 1sk0 h ALA 72 Cb 0.29 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1sk0 h ALA 72 CO 0.00 0.18 0.39 -1.21 0.00 0.00 0.00 179.25 178.61 1sk0 s GLU 73 N -4.11 4.44 -1.38 0.00 2.02 -0.73 -4.95 118.70 113.98 1sk0 s GLU 73 Ca -0.02 1.48 -0.12 0.00 0.02 0.00 0.00 54.97 56.34 1sk0 s GLU 73 Cb 0.13 -2.78 0.09 0.00 0.10 0.00 0.00 34.13 31.67 1sk0 s GLU 73 CO 0.60 0.11 2.11 -3.47 0.02 0.00 0.00 175.26 174.62 1sk0 n ASP 74 N 0.45 4.68 -0.37 -0.19 4.64 -1.26 -4.45 116.55 120.05 1sk0 n ASP 74 Ca 0.02 -2.96 0.05 0.00 -1.38 0.00 0.00 54.79 50.53 1sk0 n ASP 74 Cb 0.49 -1.57 0.08 0.00 -1.04 0.00 0.00 41.12 39.08 1sk0 n ASP 74 CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 1sk0 n LYS 75 N 4.90 0.66 -4.16 -0.67 5.02 -1.26 -5.07 118.16 117.59 1sk0 n LYS 75 Ca 0.48 -1.90 -0.20 0.00 -2.02 0.00 0.00 58.31 54.67 1sk0 n LYS 75 Cb 0.37 -0.98 -0.16 0.00 -0.02 0.00 0.00 35.03 34.23 1sk0 n LYS 75 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1sk0 s PHE 76 N -1.48 0.77 0.86 2.13 0.40 -1.26 -5.14 117.98 114.27 1sk0 s PHE 76 Ca 0.18 -0.22 -0.11 0.00 -0.60 0.00 0.00 56.93 56.18 1sk0 s PHE 76 Cb 0.17 -0.69 0.11 0.00 0.51 0.00 0.00 43.02 43.12 1sk0 s PHE 76 CO -0.00 -0.20 1.09 0.95 0.70 0.00 0.00 175.22 177.76 1sk0 s THR 77 N 0.96 2.84 0.23 0.64 -4.23 -1.26 -4.86 115.64 109.96 1sk0 s THR 77 Ca -0.10 0.27 -0.07 0.00 -1.18 0.00 0.00 61.69 60.61 1sk0 s THR 77 Cb -0.14 -2.77 0.19 0.00 1.34 0.00 0.00 72.50 71.12 1sk0 s THR 77 CO -0.00 -0.36 1.84 0.44 -0.54 0.00 0.00 174.62 176.00 1sk0 h ASP 78 N -1.42 0.76 -0.09 3.99 3.45 -2.00 -1.69 116.42 119.42 1sk0 h ASP 78 Ca -0.48 0.02 -0.07 0.00 0.43 0.00 0.00 57.03 56.93 1sk0 h ASP 78 Cb 1.27 -0.14 -0.01 0.00 -0.56 0.00 0.00 39.33 39.89 1sk0 h ASP 78 CO 0.54 0.49 -0.15 0.44 -1.57 0.00 0.00 179.24 178.99 1sk0 h ASP 79 N 0.89 0.43 -0.52 6.45 5.19 -1.99 0.90 116.42 127.77 1sk0 h ASP 79 Ca 0.35 -0.11 -0.01 0.00 -0.62 0.00 0.00 57.03 56.64 1sk0 h ASP 79 Cb 0.16 -0.11 -0.02 0.00 0.18 0.00 0.00 39.33 39.54 1sk0 h ASP 79 CO -0.17 0.60 0.29 1.56 -3.12 0.00 0.00 179.24 178.40 1sk0 h GLN 80 N 0.41 0.73 -0.38 3.56 4.20 -1.81 -0.53 115.11 121.29 1sk0 h GLN 80 Ca 0.07 -0.08 -0.06 0.00 0.06 0.00 0.00 58.65 58.64 1sk0 h GLN 80 Cb 0.50 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.13 1sk0 h GLN 80 CO 0.03 0.56 -0.01 -0.07 -0.67 0.00 0.00 178.83 178.68 1sk0 h LEU 81 N 0.70 0.66 -0.61 1.46 3.38 -0.60 -1.07 115.31 119.23 1sk0 h LEU 81 Ca 0.18 -0.31 0.06 0.00 0.09 0.00 0.00 57.88 57.91 1sk0 h LEU 81 Cb 0.05 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.56 1sk0 h LEU 81 CO -0.03 0.81 0.30 0.40 0.09 0.00 0.00 178.44 180.02 1sk0 h ILE 82 N 0.49 0.91 -0.16 1.22 2.04 -0.65 -1.33 117.51 120.03 1sk0 h ILE 82 Ca 0.11 -0.19 -0.07 0.00 1.00 0.00 0.00 64.86 65.70 1sk0 h ILE 82 Cb 0.48 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 1sk0 h ILE 82 CO 0.02 0.10 -0.21 0.44 0.00 0.00 0.00 178.15 178.50 1sk0 h ASP 83 N 0.56 0.27 -0.55 1.72 3.45 -0.74 -1.16 116.42 119.98 1sk0 h ASP 83 Ca 0.28 -0.08 -0.05 0.00 0.43 0.00 0.00 57.03 57.61 1sk0 h ASP 83 Cb 0.22 -0.07 -0.02 0.00 -0.56 0.00 0.00 39.33 38.90 1sk0 h ASP 83 CO -0.21 0.50 0.14 -0.26 -1.57 0.00 0.00 179.24 177.85 1sk0 h PHE 84 N 0.26 0.92 -0.51 4.55 0.04 -0.69 -1.59 116.94 119.92 1sk0 h PHE 84 Ca 0.04 -0.11 0.04 0.00 2.80 0.00 0.00 57.97 60.75 1sk0 h PHE 84 Cb 0.53 -0.26 -0.04 0.00 2.20 0.00 0.00 35.95 38.37 1sk0 h PHE 84 CO 0.01 0.80 0.26 0.52 -0.60 0.00 0.00 178.31 179.30 1sk0 h MET 85 N 0.78 0.49 -0.43 1.51 2.86 -0.74 0.97 114.93 120.38 1sk0 h MET 85 Ca 0.17 -0.03 -0.06 0.00 -2.06 0.00 0.00 59.70 57.72 1sk0 h MET 85 Cb 0.34 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.86 1sk0 h MET 85 CO 0.00 0.33 0.01 -0.07 1.06 0.00 0.00 176.91 178.24 1sk0 h LEU 86 N 0.51 0.66 0.00 1.22 3.38 -1.00 -2.62 115.31 117.45 1sk0 h LEU 86 Ca 0.22 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 1sk0 h LEU 86 Cb 0.12 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 1sk0 h LEU 86 CO -0.15 0.72 -0.21 1.56 0.09 0.00 0.00 178.44 180.46 1sk0 h GLN 87 N 0.66 0.00 -2.17 1.13 1.08 -0.66 -3.39 115.11 111.76 1sk0 h GLN 87 Ca 0.13 0.00 -0.57 0.00 -1.45 0.00 0.00 58.65 56.76 1sk0 h GLN 87 Cb 0.39 0.00 -0.39 0.00 -0.05 0.00 0.00 27.48 27.44 1sk0 h GLN 87 CO 0.01 0.11 -1.02 0.72 -0.95 0.00 0.00 178.83 177.70 1sk0 n HIS 88 N -3.09 -0.25 0.30 2.96 8.25 0.28 -5.01 115.22 118.67 1sk0 n HIS 88 Ca 0.03 -3.53 0.15 0.00 -0.26 0.00 0.00 57.72 54.12 1sk0 n HIS 88 Cb 0.58 -0.16 0.82 0.00 1.12 0.00 0.00 29.99 32.35 1sk0 n HIS 88 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1sk0 h PRO 89 N 4.61 0.00 0.00 -0.41 0.11 -1.67 0.27 132.00 134.91 1sk0 h PRO 89 Ca 0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 1sk0 h PRO 89 Cb 0.87 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.98 1sk0 h PRO 89 CO 0.46 0.00 0.00 0.97 -0.21 0.00 0.00 178.00 179.22 1sk0 h ILE 90 N 0.00 0.00 0.00 4.15 2.10 -1.89 -1.28 117.51 120.59 1sk0 h ILE 90 Ca 0.00 -0.19 0.00 0.00 1.08 0.00 0.00 64.86 65.75 1sk0 h ILE 90 Cb 0.51 0.90 0.00 0.00 -1.09 0.00 0.00 36.82 37.14 1sk0 h ILE 90 CO 0.00 0.00 0.00 0.18 -1.08 0.00 0.00 178.15 177.25 1sk0 n LEU 91 N -2.41 0.67 -4.64 2.19 4.77 0.08 -4.66 117.00 113.00 1sk0 n LEU 91 Ca 0.01 0.64 -0.43 0.00 -0.03 0.00 0.00 56.01 56.20 1sk0 n LEU 91 Cb 0.17 -0.53 -0.02 0.00 -2.33 0.00 0.00 43.42 40.71 1sk0 n LEU 91 CO 0.18 -0.48 0.97 -0.63 -1.33 0.00 0.00 177.39 176.09 1sk0 s ILE 92 N -3.27 4.48 0.90 -0.08 1.01 -0.48 -0.42 121.20 123.34 1sk0 s ILE 92 Ca 0.05 1.70 -0.11 0.00 0.00 0.00 0.00 60.65 62.30 1sk0 s ILE 92 Cb 0.10 -4.41 0.13 0.00 0.01 0.00 0.00 42.46 38.29 1sk0 s ILE 92 CO 0.42 -0.50 1.10 0.21 0.00 0.00 0.00 174.94 176.18 1sk0 s ASN 93 N 1.73 3.25 0.04 3.58 3.84 0.07 -4.76 114.94 122.70 1sk0 s ASN 93 Ca 0.46 1.84 -0.10 0.00 0.21 0.00 0.00 52.86 55.27 1sk0 s ASN 93 Cb -0.12 -2.43 0.01 0.00 -0.55 0.00 0.00 41.25 38.16 1sk0 s ASN 93 CO 0.16 -2.83 0.22 0.00 -2.79 0.00 0.00 177.10 171.86 1sk0 s ARG 94 N -4.77 0.73 0.20 0.43 3.03 -1.26 -4.49 118.95 112.83 1sk0 s ARG 94 Ca 0.65 -0.63 -0.12 0.00 2.03 0.00 0.00 55.73 57.66 1sk0 s ARG 94 Cb -0.20 0.30 -0.07 0.00 -1.03 0.00 0.00 34.95 33.95 1sk0 s ARG 94 CO 0.58 -0.22 0.56 -1.25 -1.13 0.00 0.00 175.30 173.84 1sk0 s PRO 95 N -2.66 3.89 -0.07 3.89 0.04 -1.26 -4.70 135.00 134.13 1sk0 s PRO 95 Ca -0.04 0.39 -0.17 0.00 0.04 0.00 0.00 61.00 61.22 1sk0 s PRO 95 Cb -0.01 -2.75 -0.05 0.00 0.04 0.00 0.00 34.50 31.73 1sk0 s PRO 95 CO -0.04 0.37 0.44 0.42 0.04 0.00 0.00 177.00 178.23 1sk0 s ILE 96 N -1.68 5.11 -0.06 0.56 1.01 -1.21 -0.35 121.20 124.57 1sk0 s ILE 96 Ca 0.44 0.89 0.02 0.00 0.00 0.00 0.00 60.65 62.00 1sk0 s ILE 96 Cb -0.13 -3.77 0.01 0.00 0.01 0.00 0.00 42.46 38.59 1sk0 s ILE 96 CO 0.20 0.44 -0.12 -0.69 0.00 0.00 0.00 174.94 174.77 1sk0 s VAL 97 N -0.12 1.09 -0.15 2.92 1.01 -0.49 -0.87 120.40 123.79 1sk0 s VAL 97 Ca 0.24 -0.46 -0.03 0.00 0.00 0.00 0.00 61.98 61.74 1sk0 s VAL 97 Cb -0.16 -1.00 -0.02 0.00 0.00 0.00 0.00 36.38 35.20 1sk0 s VAL 97 CO 0.11 0.34 -0.06 -0.69 0.00 0.00 0.00 175.10 174.81 1sk0 s VAL 98 N 0.66 3.64 0.36 2.92 1.01 0.40 -1.43 120.40 127.96 1sk0 s VAL 98 Ca -0.14 -0.44 0.03 0.00 0.00 0.00 0.00 61.98 61.43 1sk0 s VAL 98 Cb -0.16 -2.59 -0.04 0.00 0.00 0.00 0.00 36.38 33.60 1sk0 s VAL 98 CO 0.03 0.50 0.11 0.42 0.00 0.00 0.00 175.10 176.16 1sk0 s THR 99 N 0.44 0.70 0.66 3.92 -4.23 0.26 -1.38 115.64 116.01 1sk0 s THR 99 Ca -0.05 -2.00 0.32 0.00 -1.18 0.00 0.00 61.69 58.78 1sk0 s THR 99 Cb -0.15 -2.51 0.33 0.00 1.34 0.00 0.00 72.50 71.51 1sk0 s THR 99 CO 0.03 0.00 2.00 -0.65 -0.54 0.00 0.00 174.62 175.47 1sk0 h PRO 100 N 1.99 0.00 0.00 3.99 0.11 -1.87 -2.32 132.00 133.91 1sk0 h PRO 100 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1sk0 h PRO 100 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1sk0 h PRO 100 CO 0.59 0.00 -1.04 1.28 -0.21 0.00 0.00 178.00 178.62 1sk0 n LEU 101 N -3.00 0.68 0.00 2.35 4.77 -1.26 -5.05 117.00 115.49 1sk0 n LEU 101 Ca -0.02 0.19 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 1sk0 n LEU 101 Cb 0.34 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 1sk0 n LEU 101 CO 0.16 -0.09 0.00 0.61 -1.33 0.00 0.00 177.39 176.74 1sk0 n GLY 102 N 1.26 -2.05 3.14 -0.72 0.00 -0.87 -5.01 105.19 100.95 1sk0 n GLY 102 Ca 0.01 -1.34 -0.27 0.00 0.00 0.00 0.00 46.02 44.41 1sk0 n GLY 102 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sk0 s THR 103 N -2.32 1.55 0.01 2.61 2.01 -1.26 -0.57 115.64 117.66 1sk0 s THR 103 Ca 0.00 -0.76 0.00 0.00 0.31 0.00 0.00 61.69 61.24 1sk0 s THR 103 Cb 0.00 -1.34 -0.01 0.00 0.01 0.00 0.00 72.50 71.16 1sk0 s THR 103 CO 0.00 0.44 -0.02 -0.13 -0.69 0.00 0.00 174.62 174.22 1sk0 s ARG 104 N 0.20 0.20 -0.41 4.92 1.81 -0.51 -3.91 118.95 121.25 1sk0 s ARG 104 Ca -0.09 -0.29 -0.29 0.00 -1.72 0.00 0.00 55.73 53.34 1sk0 s ARG 104 Cb -0.14 -0.03 0.02 0.00 -0.45 0.00 0.00 34.95 34.34 1sk0 s ARG 104 CO 0.04 0.00 1.28 -1.17 -0.68 0.00 0.00 175.30 174.76 1sk0 s LEU 105 N -0.64 3.68 -1.28 2.53 2.96 -1.26 -1.40 118.68 123.27 1sk0 s LEU 105 Ca -0.06 0.80 -0.09 0.00 -0.22 0.00 0.00 54.13 54.56 1sk0 s LEU 105 Cb -0.04 -3.54 0.17 0.00 0.50 0.00 0.00 46.19 43.27 1sk0 s LEU 105 CO -0.00 -1.27 1.91 0.00 -1.32 0.00 0.00 176.35 175.67 1sk0 s ARG 107 N 0.20 1.29 0.85 0.00 0.52 -1.26 -2.89 118.95 117.66 1sk0 s ARG 107 Ca 0.40 -1.02 -0.12 0.00 -0.52 0.00 0.00 55.73 54.47 1sk0 s ARG 107 Cb 0.10 -2.48 0.10 0.00 0.52 0.00 0.00 34.95 33.20 1sk0 s ARG 107 CO -0.00 -0.72 1.10 -1.25 0.02 0.00 0.00 175.30 174.46 1sk0 s PRO 108 N 1.45 1.64 0.50 3.54 0.04 -1.26 -4.94 135.00 135.96 1sk0 s PRO 108 Ca -0.00 0.60 0.21 0.00 0.04 0.00 0.00 61.00 61.85 1sk0 s PRO 108 Cb -0.18 -1.87 1.27 0.00 0.04 0.00 0.00 34.50 33.76 1sk0 s PRO 108 CO -0.10 -1.92 2.00 0.66 0.04 0.00 0.00 177.00 177.67 1sk0 h SER 109 N -1.31 0.12 0.41 6.66 4.64 -1.80 -1.31 113.55 120.97 1sk0 h SER 109 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1sk0 h SER 109 Cb 1.29 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1sk0 h SER 109 CO 0.59 0.07 0.00 -1.84 -0.87 0.00 0.00 176.83 174.78 1sk0 n GLU 110 N -4.42 0.23 -0.26 4.77 0.00 -1.26 -2.06 120.64 117.64 1sk0 n GLU 110 Ca 0.09 0.11 0.23 0.00 0.00 0.00 0.00 57.16 57.59 1sk0 n GLU 110 Cb 0.51 -1.50 0.56 0.00 0.00 0.00 0.00 31.44 31.01 1sk0 n GLU 110 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 1sk0 h VAL 111 N 0.00 0.59 0.00 3.84 2.07 -1.55 -1.33 116.25 119.87 1sk0 h VAL 111 Ca 0.00 -0.11 -0.00 0.00 0.82 0.00 0.00 66.70 67.41 1sk0 h VAL 111 Cb 0.21 0.26 -0.00 0.00 -1.52 0.00 0.00 31.29 30.23 1sk0 h VAL 111 CO 0.00 0.06 -0.02 1.62 0.02 0.00 0.00 177.57 179.24 1sk0 h VAL 112 N 0.31 0.50 0.00 2.57 3.04 -1.64 0.09 116.25 121.12 1sk0 h VAL 112 Ca 0.51 -0.10 -0.01 0.00 -1.01 0.00 0.00 66.70 66.09 1sk0 h VAL 112 Cb 1.43 1.07 -0.00 0.00 -2.01 0.00 0.00 31.29 31.78 1sk0 h VAL 112 CO -0.17 0.02 -0.03 -0.07 -1.01 0.00 0.00 177.57 176.31 1sk0 h LEU 113 N 0.00 0.00 -0.86 3.16 3.38 -1.48 -1.78 115.31 117.74 1sk0 h LEU 113 Ca -0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1sk0 h LEU 113 Cb 0.06 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 1sk0 h LEU 113 CO 0.00 0.03 0.29 0.44 0.09 0.00 0.00 178.44 179.29 1sk0 h ASP 114 N 0.00 1.04 -0.02 -0.43 3.45 -1.15 -3.24 116.42 116.07 1sk0 h ASP 114 Ca -0.00 -0.16 0.00 0.00 0.43 0.00 0.00 57.03 57.29 1sk0 h ASP 114 Cb 0.09 -0.27 0.00 0.00 -0.56 0.00 0.00 39.33 38.59 1sk0 h ASP 114 CO 0.00 0.93 -0.11 2.30 -1.57 0.00 0.00 179.24 180.80 1sk0 n ILE 115 N -4.28 0.00 -2.62 0.35 -5.35 -0.72 -4.92 119.36 101.82 1sk0 n ILE 115 Ca 0.07 -0.45 -0.42 0.00 -0.27 0.00 0.00 62.75 61.68 1sk0 n ILE 115 Cb 0.19 1.37 -0.03 0.00 -1.74 0.00 0.00 39.64 39.43 1sk0 n ILE 115 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1sk0 s LEU 116 N -1.83 4.27 0.23 7.28 1.43 -0.92 -4.38 118.68 124.76 1sk0 s LEU 116 Ca 0.21 1.63 -0.02 0.00 -1.03 0.00 0.00 54.13 54.93 1sk0 s LEU 116 Cb 0.16 -3.56 0.23 0.00 0.03 0.00 0.00 46.19 43.05 1sk0 s LEU 116 CO 0.31 -0.46 1.61 1.56 0.23 0.00 0.00 176.35 179.60 1sk0 h GLN 117 N 7.15 0.62 -5.86 1.70 4.20 -1.91 -3.43 115.11 117.57 1sk0 h GLN 117 Ca -0.33 -0.29 -0.65 0.00 0.06 0.00 0.00 58.65 57.44 1sk0 h GLN 117 Cb 1.16 -0.01 -0.08 0.00 0.30 0.00 0.00 27.48 28.86 1sk0 h GLN 117 CO 0.85 0.87 -0.53 -0.51 -0.67 0.00 0.00 178.83 178.84 1sk0 s ASP 118 N -6.82 6.07 0.73 1.46 1.01 -1.26 -5.08 116.67 112.77 1sk0 s ASP 118 Ca -0.08 0.28 -0.13 0.00 0.71 0.00 0.00 52.55 53.33 1sk0 s ASP 118 Cb 0.13 -1.85 0.04 0.00 1.01 0.00 0.00 42.92 42.24 1sk0 s ASP 118 CO 0.82 0.29 1.13 0.00 0.21 0.00 0.00 175.17 177.63 1sk0 s ALA 119 N -1.22 2.23 0.38 5.23 0.00 -1.26 -4.77 121.76 122.36 1sk0 s ALA 119 Ca 0.23 0.57 -0.27 0.00 0.00 0.00 0.00 51.96 52.49 1sk0 s ALA 119 Cb -0.12 -3.36 -0.11 0.00 0.00 0.00 0.00 23.12 19.53 1sk0 s ALA 119 CO 0.14 -1.68 1.41 1.04 0.00 0.00 0.00 175.76 176.67 1sk0 n GLN 120 N -2.92 2.42 0.00 0.00 1.13 -1.26 -4.59 117.38 112.16 1sk0 n GLN 120 Ca 0.11 0.85 0.15 0.00 -1.94 0.00 0.00 57.00 56.17 1sk0 n GLN 120 Cb 0.52 -2.55 0.73 0.00 0.11 0.00 0.00 30.24 29.04 1sk0 n GLN 120 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1sk0 n LYS 121 N 0.36 1.10 -3.02 -1.09 5.02 -0.13 -4.92 118.16 115.47 1sk0 n LYS 121 Ca 0.03 -0.35 0.02 0.00 -2.02 0.00 0.00 58.31 55.99 1sk0 n LYS 121 Cb 0.38 -1.49 0.01 0.00 -0.02 0.00 0.00 35.03 33.91 1sk0 n LYS 121 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1sk0 n GLY 122 N 1.13 0.35 3.70 0.72 0.00 -1.26 -5.12 105.19 104.71 1sk0 n GLY 122 Ca 0.20 -0.94 -0.38 0.00 0.00 0.00 0.00 46.02 44.90 1sk0 n GLY 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sk0 n ALA 123 N -1.91 1.06 -3.73 4.61 0.00 -1.25 -4.84 120.51 114.44 1sk0 n ALA 123 Ca -0.06 0.05 -0.24 0.00 0.00 0.00 0.00 53.44 53.19 1sk0 n ALA 123 Cb 0.31 -2.28 -0.17 0.00 0.00 0.00 0.00 19.45 17.31 1sk0 n ALA 123 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1sk0 s PHE 124 N -1.37 1.18 -0.10 0.00 2.19 0.10 -4.98 117.98 115.00 1sk0 s PHE 124 Ca 0.77 -0.48 0.04 0.00 0.33 0.00 0.00 56.93 57.59 1sk0 s PHE 124 Cb -0.41 -1.00 0.00 0.00 -1.31 0.00 0.00 43.02 40.30 1sk0 s PHE 124 CO 0.45 -0.36 -0.23 0.99 1.83 0.00 0.00 175.22 177.90 1sk0 s THR 125 N 1.36 1.98 1.01 0.12 2.01 -1.26 -0.42 115.64 120.44 1sk0 s THR 125 Ca -0.03 -0.98 -0.11 0.00 0.31 0.00 0.00 61.69 60.89 1sk0 s THR 125 Cb -0.14 -1.71 0.20 0.00 0.01 0.00 0.00 72.50 70.86 1sk0 s THR 125 CO -0.03 0.54 1.11 -0.54 -0.69 0.00 0.00 174.62 175.01 1sk0 s LYS 126 N 0.35 0.28 0.56 4.92 1.02 0.85 -4.85 119.74 122.88 1sk0 s LYS 126 Ca -0.18 1.34 0.30 0.00 0.02 0.00 0.00 55.97 57.45 1sk0 s LYS 126 Cb -0.18 -1.66 1.69 0.00 -0.52 0.00 0.00 37.83 37.16 1sk0 s LYS 126 CO 0.08 -3.07 2.17 1.05 -0.92 0.00 0.00 175.35 174.67 1sk0 h GLU 127 N -2.18 0.00 -0.28 1.68 4.11 -1.94 -1.08 114.58 114.88 1sk0 h GLU 127 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.94 1sk0 h GLU 127 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 1sk0 h GLU 127 CO 0.44 0.06 0.00 -0.40 0.07 0.00 0.00 179.01 179.18 1sk0 n ASP 128 N -3.66 1.93 0.00 3.06 5.75 -1.26 -4.89 116.55 117.48 1sk0 n ASP 128 Ca -0.02 -1.86 0.00 0.00 -0.01 0.00 0.00 54.79 52.89 1sk0 n ASP 128 Cb 0.16 -0.19 0.00 0.00 -1.03 0.00 0.00 41.12 40.07 1sk0 n ASP 128 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1sk0 n GLY 129 N 1.14 0.44 3.67 6.12 0.00 -0.41 -5.05 105.19 111.10 1sk0 n GLY 129 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 1sk0 n GLY 129 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1sk0 s GLU 130 N -0.89 4.29 0.17 1.61 2.12 -1.25 -4.74 118.70 120.00 1sk0 s GLU 130 Ca 0.00 1.64 -0.30 0.00 0.36 0.00 0.00 54.97 56.67 1sk0 s GLU 130 Cb 0.00 -3.67 -0.08 0.00 0.26 0.00 0.00 34.13 30.65 1sk0 s GLU 130 CO 0.00 -0.58 1.21 0.15 -0.54 0.00 0.00 175.26 175.50 1sk0 s LYS 131 N 2.91 4.47 -0.08 4.30 1.02 -1.26 -0.10 119.74 131.00 1sk0 s LYS 131 Ca 0.54 1.88 -0.07 0.00 0.02 0.00 0.00 55.97 58.34 1sk0 s LYS 131 Cb -0.22 -3.25 -0.04 0.00 -0.52 0.00 0.00 37.83 33.79 1sk0 s LYS 131 CO 0.17 -0.13 -0.16 0.28 -0.92 0.00 0.00 175.35 174.59 1sk0 n VAL 132 N 2.74 1.01 -4.51 3.17 0.31 0.44 -4.69 118.33 116.79 1sk0 n VAL 132 Ca 0.05 0.05 -0.21 0.00 -0.01 0.00 0.00 64.34 64.22 1sk0 n VAL 132 Cb 0.45 -1.80 -0.15 0.00 -0.91 0.00 0.00 33.84 31.44 1sk0 n VAL 132 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 1sk0 s VAL 133 N -2.31 1.02 0.52 2.52 -7.23 -0.87 -0.16 120.40 113.88 1sk0 s VAL 133 Ca -0.15 -0.66 -0.04 0.00 -1.81 0.00 0.00 61.98 59.31 1sk0 s VAL 133 Cb 0.04 -0.87 0.11 0.00 0.56 0.00 0.00 36.38 36.22 1sk0 s VAL 133 CO 0.21 0.21 0.71 -0.90 -0.31 0.00 0.00 175.10 175.01 1sk0 n ASP 134 N 2.54 0.53 -0.01 4.85 3.85 -0.79 -0.72 116.55 126.79 1sk0 n ASP 134 Ca -0.15 -1.54 -0.01 0.00 -0.71 0.00 0.00 54.79 52.38 1sk0 n ASP 134 Cb 0.55 -0.50 0.28 0.00 -1.35 0.00 0.00 41.12 40.10 1sk0 n ASP 134 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.20 176.11 1sk0 h GLU 135 N 0.00 0.54 0.00 0.11 4.22 -1.91 -1.37 114.58 116.17 1sk0 h GLU 135 Ca -0.23 -0.12 0.00 0.00 0.08 0.00 0.00 59.36 59.08 1sk0 h GLU 135 Cb 0.75 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.93 1sk0 h GLU 135 CO 0.21 0.58 0.00 0.00 -2.18 0.00 0.00 179.01 177.62 1sk0 h ALA 136 N 1.47 1.00 0.00 2.92 0.00 -1.95 -3.41 119.26 119.28 1sk0 h ALA 136 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1sk0 h ALA 136 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1sk0 h ALA 136 CO 0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.67 1sk0 n GLY 137 N 0.08 0.80 3.71 0.00 0.00 -0.52 -5.07 105.19 104.20 1sk0 n GLY 137 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 1sk0 n GLY 137 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1sk0 s LYS 138 N -0.94 4.56 0.22 1.61 2.20 -1.26 -4.79 119.74 121.34 1sk0 s LYS 138 Ca 0.00 1.46 -0.32 0.00 -0.36 0.00 0.00 55.97 56.76 1sk0 s LYS 138 Cb 0.00 -3.44 -0.12 0.00 -1.51 0.00 0.00 37.83 32.76 1sk0 s LYS 138 CO 0.00 -0.04 1.68 0.54 -0.36 0.00 0.00 175.35 177.17 1sk0 n ARG 139 N 3.77 2.70 0.00 4.03 5.12 -1.26 -1.88 116.66 129.13 1sk0 n ARG 139 Ca 0.06 0.97 0.13 0.00 -1.93 0.00 0.00 57.85 57.08 1sk0 n ARG 139 Cb 0.50 -2.80 0.31 0.00 -1.16 0.00 0.00 32.46 29.32 1sk0 n ARG 139 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98