#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s6d n TYR 2 N 0.00 -1.94 -2.27 0.54 9.36 -1.26 -5.13 117.16 116.46 1s6d n TYR 2 Ca 0.00 0.19 0.00 0.00 3.32 0.00 0.00 57.90 61.41 1s6d n TYR 2 Cb 0.00 0.76 0.00 0.00 -0.63 0.00 0.00 39.34 39.47 1s6d n TYR 2 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1s6d n GLY 3 N -1.10 2.49 3.40 2.98 0.00 -1.26 -5.18 105.19 106.53 1s6d n GLY 3 Ca 0.00 -0.74 -0.25 0.00 0.00 0.00 0.00 46.02 45.03 1s6d n GLY 3 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1s6d s ARG 4 N 0.81 1.47 0.00 1.61 6.06 -1.26 -5.06 118.95 122.58 1s6d s ARG 4 Ca 0.00 -1.53 0.00 0.00 -2.50 0.00 0.00 55.73 51.70 1s6d s ARG 4 Cb 0.00 -1.68 0.00 0.00 0.06 0.00 0.00 34.95 33.33 1s6d s ARG 4 CO 0.00 0.35 0.00 0.41 -2.50 0.00 0.00 175.30 173.56 1s6d n GLY 5 N 0.12 -1.56 3.37 8.12 0.00 -1.26 -5.16 105.19 108.83 1s6d n GLY 5 Ca -0.11 0.64 -0.33 0.00 0.00 0.00 0.00 46.02 46.21 1s6d n GLY 5 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1s6d n ARG 6 N 0.00 -0.23 -3.69 1.61 1.85 -1.26 -5.02 116.66 109.91 1s6d n ARG 6 Ca 0.00 -0.03 -0.15 0.00 -1.00 0.00 0.00 57.85 56.67 1s6d n ARG 6 Cb 0.00 -1.75 -0.15 0.00 -1.05 0.00 0.00 32.46 29.51 1s6d n ARG 6 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 1s6d s THR 7 N -2.33 -0.21 1.02 8.89 -4.23 -1.26 -5.14 115.64 112.39 1s6d s THR 7 Ca 0.55 0.28 -0.18 0.00 -1.18 0.00 0.00 61.69 61.15 1s6d s THR 7 Cb -0.21 -0.31 -0.03 0.00 1.34 0.00 0.00 72.50 73.28 1s6d s THR 7 CO 0.69 0.11 -0.36 -0.62 -0.54 0.00 0.00 174.62 173.90 1s6d n GLU 8 N 4.91 -0.55 -1.66 3.99 4.71 -1.26 -4.81 120.64 125.98 1s6d n GLU 8 Ca -0.13 -0.14 -0.48 0.00 -0.01 0.00 0.00 57.16 56.40 1s6d n GLU 8 Cb 0.51 -1.45 -0.05 0.00 -1.01 0.00 0.00 31.44 29.43 1s6d n GLU 8 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 1s6d n SER 9 N 0.58 2.82 0.00 1.62 3.41 -1.26 -4.70 113.62 116.09 1s6d n SER 9 Ca 0.01 1.07 0.00 0.00 -0.26 0.00 0.00 58.87 59.70 1s6d n SER 9 Cb 0.61 -1.36 0.00 0.00 -0.26 0.00 0.00 64.21 63.20 1s6d n SER 9 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1s6d n GLY 10 N 3.42 -1.13 0.14 5.00 0.00 -1.26 -4.97 105.19 106.39 1s6d n GLY 10 Ca 0.19 0.67 -0.14 0.00 0.00 0.00 0.00 46.02 46.74 1s6d n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s6d n TYR 12 N -5.14 0.14 -0.24 0.00 9.36 -1.26 0.16 117.16 120.17 1s6d n TYR 12 Ca -0.09 1.14 0.00 0.00 3.32 0.00 0.00 57.90 62.27 1s6d n TYR 12 Cb 0.19 -0.92 0.12 0.00 -0.63 0.00 0.00 39.34 38.10 1s6d n TYR 12 CO 0.00 0.00 0.00 0.37 0.22 0.00 0.00 176.86 177.45 1s6d h GLN 13 N 0.00 0.64 0.00 2.98 4.15 -1.88 0.27 115.11 121.27 1s6d h GLN 13 Ca 0.37 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.74 1s6d h GLN 13 Cb 0.60 -0.14 -0.00 0.00 0.21 0.00 0.00 27.48 28.14 1s6d h GLN 13 CO -0.93 0.42 -0.05 -0.56 -1.93 0.00 0.00 178.83 175.78 1s6d h GLN 14 N 0.66 0.00 0.31 1.69 3.07 -0.08 -3.16 115.11 117.60 1s6d h GLN 14 Ca 0.33 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 59.05 1s6d h GLN 14 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.84 1s6d h GLN 14 CO -0.22 0.05 -0.15 1.98 0.09 0.00 0.00 178.83 180.58 1s6d h MET 15 N 0.00 -0.41 -0.97 0.06 4.05 0.27 -2.42 114.93 115.52 1s6d h MET 15 Ca -0.00 0.03 0.24 0.00 -0.28 0.00 0.00 59.70 59.69 1s6d h MET 15 Cb 0.50 0.09 -0.07 0.00 -0.80 0.00 0.00 31.60 31.32 1s6d h MET 15 CO 0.01 -0.27 0.65 1.05 0.23 0.00 0.00 176.91 178.57 1s6d h GLU 16 N -0.91 0.32 0.00 0.39 4.11 -1.37 0.89 114.58 118.01 1s6d h GLU 16 Ca -0.04 -0.02 -0.09 0.00 0.07 0.00 0.00 59.36 59.28 1s6d h GLU 16 Cb 0.32 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 1s6d h GLU 16 CO 0.07 0.21 -0.42 1.49 0.07 0.00 0.00 179.01 180.43 1s6d h GLU 17 N 0.33 0.00 -0.30 1.06 4.81 -1.61 -2.83 114.58 116.04 1s6d h GLU 17 Ca 0.51 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.74 1s6d h GLU 17 Cb 1.42 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.80 1s6d h GLU 17 CO -0.19 0.42 0.00 0.00 -0.73 0.00 0.00 179.01 178.52 1s6d n ALA 18 N -2.34 2.80 0.00 2.92 0.00 0.94 -5.02 120.51 119.80 1s6d n ALA 18 Ca -0.01 -1.96 0.00 0.00 0.00 0.00 0.00 53.44 51.47 1s6d n ALA 18 Cb 0.51 -0.65 0.00 0.00 0.00 0.00 0.00 19.45 19.31 1s6d n ALA 18 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1s6d n GLU 19 N -0.16 0.00 -0.01 0.00 0.28 0.27 -4.72 120.64 116.30 1s6d n GLU 19 Ca 0.19 0.00 -0.11 0.00 -0.16 0.00 0.00 57.16 57.08 1s6d n GLU 19 Cb 0.77 0.00 -0.14 0.00 1.43 0.00 0.00 31.44 33.50 1s6d n GLU 19 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1s6d h MET 20 N 0.00 0.05 -0.73 3.44 -0.00 -1.91 -3.24 114.93 112.53 1s6d h MET 20 Ca 0.00 -0.08 0.00 0.00 -0.00 0.00 0.00 59.70 59.62 1s6d h MET 20 Cb 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 31.60 31.63 1s6d h MET 20 CO 0.00 0.64 0.00 1.28 -0.00 0.00 0.00 176.91 178.83 1s6d n LEU 21 N -3.14 3.67 0.01 -0.10 4.32 -1.26 -3.79 117.00 116.71 1s6d n LEU 21 Ca -0.18 -1.86 -0.16 0.00 -0.02 0.00 0.00 56.01 53.79 1s6d n LEU 21 Cb 1.05 -0.59 -0.14 0.00 -1.62 0.00 0.00 43.42 42.12 1s6d n LEU 21 CO 0.45 0.48 -0.59 -1.13 -1.22 0.00 0.00 177.39 175.38 1s6d h ASN 22 N 2.35 0.26 0.00 -1.43 -0.73 -1.92 -2.94 115.58 111.17 1s6d h ASN 22 Ca 0.00 -0.51 -0.00 0.00 1.87 0.00 0.00 56.30 57.66 1s6d h ASN 22 Cb 1.31 -0.08 -0.00 0.00 0.27 0.00 0.00 38.32 39.82 1s6d h ASN 22 CO 0.27 1.45 -0.01 0.45 -0.37 0.00 0.00 177.43 179.22 1s6d h HIS 23 N 0.05 0.00 0.00 0.67 3.86 -1.76 -2.57 115.15 115.40 1s6d h HIS 23 Ca -0.33 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.88 1s6d h HIS 23 Cb 2.02 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.49 1s6d h HIS 23 CO 0.05 0.92 0.00 0.00 0.86 0.00 0.00 177.93 179.75 1s6d h GLY 25 N 1.27 0.25 0.58 0.00 0.00 -1.45 -3.30 103.07 100.41 1s6d h GLY 25 Ca 0.00 -0.60 0.11 0.00 0.00 0.00 0.00 47.33 46.84 1s6d h GLY 25 CO 0.00 0.52 0.61 -0.33 0.00 0.00 0.00 176.54 177.35 1s6d h MET 26 N -0.53 0.93 -0.67 4.80 2.86 -0.99 0.66 114.93 121.98 1s6d h MET 26 Ca -0.09 -0.06 0.08 0.00 -2.06 0.00 0.00 59.70 57.58 1s6d h MET 26 Cb 1.40 -0.21 -0.04 0.00 0.06 0.00 0.00 31.60 32.81 1s6d h MET 26 CO 0.10 0.61 0.44 -0.92 1.06 0.00 0.00 176.91 178.21 1s6d h TYR 27 N 0.95 0.62 0.00 -0.22 5.03 -1.64 0.23 116.97 121.93 1s6d h TYR 27 Ca 0.46 0.02 -0.25 0.00 2.58 0.00 0.00 58.73 61.54 1s6d h TYR 27 Cb 0.46 -0.20 -0.04 0.00 1.55 0.00 0.00 36.73 38.49 1s6d h TYR 27 CO -0.00 0.31 -1.76 1.28 -1.32 0.00 0.00 178.16 176.67 1s6d n LEU 28 N -4.48 0.63 -0.38 2.82 4.77 0.27 -3.79 117.00 116.83 1s6d n LEU 28 Ca 0.10 0.29 0.08 0.00 -0.03 0.00 0.00 56.01 56.45 1s6d n LEU 28 Cb 0.30 0.20 0.31 0.00 -2.33 0.00 0.00 43.42 41.90 1s6d n LEU 28 CO 0.33 0.30 0.72 0.80 -1.33 0.00 0.00 177.39 178.21 1s6d n MET 29 N -2.88 1.50 0.18 3.23 1.56 0.20 -3.58 117.12 117.34 1s6d n MET 29 Ca -0.17 -0.76 0.12 0.00 -0.27 0.00 0.00 57.70 56.62 1s6d n MET 29 Cb 0.97 -1.29 0.16 0.00 2.15 0.00 0.00 33.22 35.20 1s6d n MET 29 CO 0.00 0.00 0.00 0.87 -0.73 0.00 0.00 175.97 176.11 1s6d h LYS 30 N 1.41 0.00 0.00 2.12 1.57 -0.67 -3.24 116.57 117.76 1s6d h LYS 30 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1s6d h LYS 30 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1s6d h LYS 30 CO 0.00 0.00 -0.49 0.27 -0.57 0.00 0.00 179.45 178.66 1s6d n ASN 31 N -2.91 0.58 0.09 0.86 0.23 -1.23 -4.47 115.26 108.40 1s6d n ASN 31 Ca 0.03 -0.67 0.13 0.00 -0.53 0.00 0.00 54.58 53.55 1s6d n ASN 31 Cb 0.52 1.03 0.43 0.00 -2.08 0.00 0.00 39.78 39.68 1s6d n ASN 31 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1s6d n LEU 32 N -1.25 0.72 0.00 -4.53 4.77 -1.23 -4.93 117.00 110.55 1s6d n LEU 32 Ca 0.01 0.57 0.00 0.00 -0.03 0.00 0.00 56.01 56.57 1s6d n LEU 32 Cb 0.15 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 1s6d n LEU 32 CO 0.18 -0.18 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 1s6d n GLY 33 N 1.25 3.17 2.69 -0.72 0.00 -1.23 -4.98 105.19 105.37 1s6d n GLY 33 Ca 0.06 -0.43 -0.42 0.00 0.00 0.00 0.00 46.02 45.23 1s6d n GLY 33 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1s6d n GLU 34 N -0.81 3.13 0.38 1.61 4.07 -1.26 -4.53 120.64 123.22 1s6d n GLU 34 Ca 0.00 -2.72 -0.17 0.00 -0.06 0.00 0.00 57.16 54.21 1s6d n GLU 34 Cb 0.00 -3.15 -0.08 0.00 -0.06 0.00 0.00 31.44 28.14 1s6d n GLU 34 CO 0.00 0.00 0.00 -0.09 -0.06 0.00 0.00 177.13 176.98 1s6d h ARG 35 N 5.80 -0.92 -7.30 5.31 2.43 -1.93 -3.44 114.38 114.33 1s6d h ARG 35 Ca 0.58 0.06 -0.48 0.00 -0.81 0.00 0.00 59.98 59.33 1s6d h ARG 35 Cb 0.59 0.21 0.07 0.00 -0.42 0.00 0.00 29.97 30.41 1s6d h ARG 35 CO 1.83 -0.59 0.29 0.45 -1.51 0.00 0.00 179.97 180.44 1s6d s SER 36 N -4.42 5.50 0.73 -3.80 0.15 -1.26 -5.03 113.70 105.57 1s6d s SER 36 Ca -0.17 0.91 -0.17 0.00 0.70 0.00 0.00 55.95 57.23 1s6d s SER 36 Cb 0.02 -1.80 -0.10 0.00 -1.71 0.00 0.00 66.02 62.43 1s6d s SER 36 CO 0.55 -1.21 -0.06 0.00 1.20 0.00 0.00 173.24 173.72 1s6d n GLN 37 N -2.80 0.09 -3.14 5.44 6.02 -1.26 -4.92 117.38 116.81 1s6d n GLN 37 Ca 0.06 0.05 -0.39 0.00 -0.01 0.00 0.00 57.00 56.70 1s6d n GLN 37 Cb 0.57 -1.32 -0.06 0.00 1.02 0.00 0.00 30.24 30.45 1s6d n GLN 37 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1s6d s VAL 38 N -1.98 4.76 -0.13 5.09 0.11 -1.26 -5.04 120.40 121.94 1s6d s VAL 38 Ca 0.55 1.38 -0.32 0.00 -2.93 0.00 0.00 61.98 60.67 1s6d s VAL 38 Cb -0.35 -3.99 0.13 0.00 -1.53 0.00 0.00 36.38 30.64 1s6d s VAL 38 CO 0.68 0.45 1.08 -0.55 -3.33 0.00 0.00 175.10 173.43 1s6d s SER 39 N -0.49 -0.24 -0.90 3.54 0.15 -1.26 -5.09 113.70 109.42 1s6d s SER 39 Ca 0.33 0.06 -0.25 0.00 0.70 0.00 0.00 55.95 56.79 1s6d s SER 39 Cb -0.20 0.24 0.02 0.00 -1.71 0.00 0.00 66.02 64.38 1s6d s SER 39 CO 0.20 -0.36 1.52 -2.16 1.20 0.00 0.00 173.24 173.63 1s6d s PRO 40 N -2.37 3.25 -0.37 5.44 0.04 -1.26 -4.78 135.00 134.95 1s6d s PRO 40 Ca 0.06 -0.62 0.07 0.00 0.04 0.00 0.00 61.00 60.55 1s6d s PRO 40 Cb -0.01 -4.93 0.66 0.00 0.04 0.00 0.00 34.50 30.26 1s6d s PRO 40 CO -0.05 -2.42 1.78 2.89 0.04 0.00 0.00 177.00 179.24 1s6d n ARG 41 N 9.04 2.62 -0.68 4.56 -4.01 -1.26 -4.70 116.66 122.23 1s6d n ARG 41 Ca 0.25 -3.06 0.51 0.00 -1.04 0.00 0.00 57.85 54.51 1s6d n ARG 41 Cb 0.50 -2.11 0.78 0.00 -3.04 0.00 0.00 32.46 28.60 1s6d n ARG 41 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1s6d n MET 42 N -0.84 -0.00 0.00 2.89 0.00 -1.26 -4.17 117.12 113.74 1s6d n MET 42 Ca 0.48 1.05 0.00 0.00 0.00 0.00 0.00 57.70 59.23 1s6d n MET 42 Cb 1.44 -2.40 0.00 0.00 0.00 0.00 0.00 33.22 32.26 1s6d n MET 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 1s6d n ARG 43 N -3.88 0.00 0.05 3.17 1.74 -1.26 -5.09 116.66 111.39 1s6d n ARG 43 Ca 0.43 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.51 1s6d n ARG 43 Cb 1.92 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 33.36 1s6d n ARG 43 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1s6d n GLU 44 N 0.00 0.00 -4.22 5.56 0.00 -1.26 -5.09 120.64 115.63 1s6d n GLU 44 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 57.16 56.81 1s6d n GLU 44 Cb 0.00 -0.06 -0.10 0.00 0.00 0.00 0.00 31.44 31.28 1s6d n GLU 44 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.13 175.92 1s6d s GLU 45 N -2.00 3.49 -0.55 5.31 0.41 -1.26 -5.06 118.70 119.03 1s6d s GLU 45 Ca 0.00 -0.39 -0.17 0.00 -0.41 0.00 0.00 54.97 54.00 1s6d s GLU 45 Cb 0.00 -2.99 0.11 0.00 -1.78 0.00 0.00 34.13 29.48 1s6d s GLU 45 CO 0.00 0.48 0.57 0.34 -0.49 0.00 0.00 175.26 176.15 1s6d s ASP 46 N -0.23 6.19 -0.58 -0.19 2.15 -1.26 -4.91 116.67 117.83 1s6d s ASP 46 Ca 0.06 -1.60 -0.01 0.00 0.43 0.00 0.00 52.55 51.43 1s6d s ASP 46 Cb -0.12 -2.24 0.45 0.00 -0.30 0.00 0.00 42.92 40.70 1s6d s ASP 46 CO 0.02 -0.93 2.01 1.41 -0.17 0.00 0.00 175.17 177.50 1s6d n HIS 47 N 5.65 2.96 0.03 -5.34 8.25 -1.26 -4.45 115.22 121.05 1s6d n HIS 47 Ca -0.12 -2.69 -0.01 0.00 -0.26 0.00 0.00 57.72 54.64 1s6d n HIS 47 Cb 0.41 -1.30 -0.00 0.00 1.12 0.00 0.00 29.99 30.22 1s6d n HIS 47 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1s6d n LYS 48 N -0.78 0.04 0.25 -0.41 4.81 -1.26 -1.51 118.16 119.31 1s6d n LYS 48 Ca 0.58 0.02 0.18 0.00 -0.87 0.00 0.00 58.31 58.21 1s6d n LYS 48 Cb 0.80 -0.58 0.85 0.00 0.02 0.00 0.00 35.03 36.12 1s6d n LYS 48 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 1s6d h GLN 49 N -0.08 0.00 -0.28 1.64 4.20 -1.98 0.43 115.11 119.04 1s6d h GLN 49 Ca -0.01 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.52 1s6d h GLN 49 Cb 0.21 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.99 1s6d h GLN 49 CO -0.00 0.00 -0.53 -0.07 -0.67 0.00 0.00 178.83 177.56 1s6d h LEU 50 N 0.00 0.90 -0.20 1.46 3.38 -1.82 -0.40 115.31 118.63 1s6d h LEU 50 Ca 0.07 -0.47 -0.11 0.00 0.09 0.00 0.00 57.88 57.46 1s6d h LEU 50 Cb 0.66 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 1s6d h LEU 50 CO -0.00 1.25 -0.29 0.00 0.09 0.00 0.00 178.44 179.50 1s6d n MET 53 N -2.13 0.00 -0.28 0.00 0.00 -0.16 -3.12 117.12 111.42 1s6d n MET 53 Ca 0.01 0.41 0.13 0.00 0.00 0.00 0.00 57.70 58.25 1s6d n MET 53 Cb 0.16 -0.91 0.38 0.00 0.00 0.00 0.00 33.22 32.85 1s6d n MET 53 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 175.97 177.93 1s6d h GLN 54 N 0.00 0.66 -0.38 2.12 4.20 -1.43 0.35 115.11 120.63 1s6d h GLN 54 Ca 0.00 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.68 1s6d h GLN 54 Cb 0.00 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.61 1s6d h GLN 54 CO 0.00 0.44 0.25 -0.07 -0.67 0.00 0.00 178.83 178.78 1s6d h LEU 55 N 0.68 0.44 -0.01 1.46 3.38 -1.58 0.28 115.31 119.96 1s6d h LEU 55 Ca 0.47 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.43 1s6d h LEU 55 Cb 0.79 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1s6d h LEU 55 CO -0.23 0.31 0.00 1.17 0.09 0.00 0.00 178.44 179.79 1s6d n LYS 56 N -4.48 0.00 0.02 1.13 3.00 0.12 -1.85 118.16 116.11 1s6d n LYS 56 Ca 0.03 0.32 0.04 0.00 -0.00 0.00 0.00 58.31 58.69 1s6d n LYS 56 Cb 0.06 -1.50 -0.09 0.00 0.00 0.00 0.00 35.03 33.50 1s6d n LYS 56 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1s6d n ASN 57 N -1.51 0.58 -2.67 3.14 2.85 0.92 -4.95 115.26 113.62 1s6d n ASN 57 Ca 0.03 0.24 -0.02 0.00 -0.11 0.00 0.00 54.58 54.72 1s6d n ASN 57 Cb 0.13 0.71 0.02 0.00 1.24 0.00 0.00 39.78 41.87 1s6d n ASN 57 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1s6d n LEU 58 N -2.69 0.00 -4.89 1.20 4.77 -0.77 -5.06 117.00 109.56 1s6d n LEU 58 Ca -0.09 -0.07 -0.28 0.00 -0.03 0.00 0.00 56.01 55.54 1s6d n LEU 58 Cb 0.75 -0.06 -0.04 0.00 -2.33 0.00 0.00 43.42 41.74 1s6d n LEU 58 CO 0.43 -1.19 -0.16 -0.62 -1.33 0.00 0.00 177.39 174.52 1s6d s ASP 59 N -1.77 6.11 0.20 -1.43 -1.08 -1.26 -4.98 116.67 112.46 1s6d s ASP 59 Ca 0.04 0.14 0.18 0.00 -0.52 0.00 0.00 52.55 52.39 1s6d s ASP 59 Cb -0.01 -1.80 0.85 0.00 -1.46 0.00 0.00 42.92 40.51 1s6d s ASP 59 CO 0.03 0.11 1.55 -0.62 0.52 0.00 0.00 175.17 176.77 1s6d n GLU 60 N -0.08 0.12 0.00 4.34 1.02 -1.26 -0.16 120.64 124.62 1s6d n GLU 60 Ca -0.07 0.48 0.10 0.00 -0.02 0.00 0.00 57.16 57.66 1s6d n GLU 60 Cb 0.53 -1.79 -0.10 0.00 -0.02 0.00 0.00 31.44 30.05 1s6d n GLU 60 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1s6d n LYS 61 N -2.03 0.34 -0.00 3.49 4.76 -1.26 -4.11 118.16 119.35 1s6d n LYS 61 Ca 0.01 -0.14 0.10 0.00 -2.87 0.00 0.00 58.31 55.41 1s6d n LYS 61 Cb 0.12 -1.47 -0.14 0.00 -1.84 0.00 0.00 35.03 31.70 1s6d n LYS 61 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1s6d n MET 63 N -1.78 3.92 0.00 0.00 2.81 0.17 -2.06 117.12 120.18 1s6d n MET 63 Ca 0.01 -3.00 0.00 0.00 -1.81 0.00 0.00 57.70 52.90 1s6d n MET 63 Cb 0.41 -2.83 0.00 0.00 -0.71 0.00 0.00 33.22 30.10 1s6d n MET 63 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1s6d h PRO 65 N 0.00 0.00 0.25 0.00 0.13 -1.77 -3.17 132.00 127.44 1s6d h PRO 65 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 1s6d h PRO 65 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1s6d h PRO 65 CO 0.00 0.46 -0.12 0.00 -0.23 0.00 0.00 178.00 178.11 1s6d h ALA 66 N 1.54 -0.34 -0.93 -0.56 0.00 -1.72 -3.28 119.26 113.98 1s6d h ALA 66 Ca -0.00 -0.17 0.19 0.00 0.00 0.00 0.00 54.91 54.92 1s6d h ALA 66 Cb 1.25 0.13 -0.18 0.00 0.00 0.00 0.00 17.79 18.99 1s6d h ALA 66 CO 0.06 -0.36 -0.23 0.82 0.00 0.00 0.00 179.25 179.54 1s6d h ILE 67 N -0.99 0.07 -0.87 0.00 2.04 -1.72 0.57 117.51 116.62 1s6d h ILE 67 Ca -0.03 -0.00 0.17 0.00 1.00 0.00 0.00 64.86 65.99 1s6d h ILE 67 Cb 0.44 0.07 -0.16 0.00 -0.74 0.00 0.00 36.82 36.44 1s6d h ILE 67 CO 0.06 0.00 -0.25 0.24 0.00 0.00 0.00 178.15 178.20 1s6d h MET 68 N 0.00 -0.01 -0.06 2.37 2.86 -1.63 0.14 114.93 118.60 1s6d h MET 68 Ca 0.44 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.94 1s6d h MET 68 Cb 0.68 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.33 1s6d h MET 68 CO -0.95 -0.01 -0.62 0.52 1.06 0.00 0.00 176.91 176.91 1s6d h MET 69 N -0.01 0.23 -0.75 1.72 2.86 -0.02 -3.13 114.93 115.83 1s6d h MET 69 Ca 0.40 -0.16 0.18 0.00 -2.06 0.00 0.00 59.70 58.05 1s6d h MET 69 Cb 0.63 0.03 -0.04 0.00 0.06 0.00 0.00 31.60 32.27 1s6d h MET 69 CO -0.90 0.78 0.51 0.00 1.06 0.00 0.00 176.91 178.36 1s6d h MET 70 N 0.17 0.24 -0.78 1.72 3.00 0.14 0.34 114.93 119.77 1s6d h MET 70 Ca -0.01 -0.01 -0.14 0.00 0.00 0.00 0.00 59.70 59.54 1s6d h MET 70 Cb 1.13 -0.05 -0.08 0.00 0.00 0.00 0.00 31.60 32.59 1s6d h MET 70 CO 0.10 0.16 0.17 1.28 0.00 0.00 0.00 176.91 178.62 1s6d n LEU 71 N -4.43 5.14 0.00 -0.10 4.77 -0.85 -3.58 117.00 117.95 1s6d n LEU 71 Ca 0.15 -2.65 0.00 0.00 -0.03 0.00 0.00 56.01 53.47 1s6d n LEU 71 Cb 0.64 -0.69 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 1s6d n LEU 71 CO 0.34 0.68 0.26 0.59 -1.33 0.00 0.00 177.39 177.93 1s6d n ASN 72 N 0.06 0.78 -4.82 -1.43 5.03 0.12 -4.81 115.26 110.19 1s6d n ASN 72 Ca 0.30 -1.27 -0.27 0.00 0.87 0.00 0.00 54.58 54.21 1s6d n ASN 72 Cb 1.14 0.00 0.09 0.00 -1.02 0.00 0.00 39.78 39.99 1s6d n ASN 72 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 1s6d s GLU 73 N -0.27 1.93 0.00 3.52 2.02 -1.10 -4.92 118.70 119.87 1s6d s GLU 73 Ca 0.00 -0.22 -0.04 0.00 0.02 0.00 0.00 54.97 54.73 1s6d s GLU 73 Cb 0.00 -2.08 -0.18 0.00 0.10 0.00 0.00 34.13 31.97 1s6d s GLU 73 CO 0.00 -1.48 2.68 -0.35 0.02 0.00 0.00 175.26 176.13 1s6d n PRO 74 N -3.12 1.40 -0.53 0.39 -0.04 -1.26 -2.55 135.00 129.29 1s6d n PRO 74 Ca 0.09 -0.65 -0.02 0.00 -0.04 0.00 0.00 63.50 62.88 1s6d n PRO 74 Cb 0.60 -1.78 -0.02 0.00 -0.04 0.00 0.00 33.50 32.27 1s6d n PRO 74 CO 0.00 0.00 0.00 -0.12 -0.04 0.00 0.00 175.50 175.34 1s6d n MET 75 N 2.50 0.00 -2.90 0.54 1.56 -1.26 -5.04 117.12 112.51 1s6d n MET 75 Ca 0.28 -0.25 -0.02 0.00 -0.27 0.00 0.00 57.70 57.44 1s6d n MET 75 Cb 0.65 0.17 0.00 0.00 2.15 0.00 0.00 33.22 36.20 1s6d n MET 75 CO 0.00 0.00 0.00 -1.58 -0.73 0.00 0.00 175.97 173.66 1s6d s TRP 76 N 0.00 -1.58 0.00 1.12 0.52 -1.06 -4.92 118.94 113.02 1s6d s TRP 76 Ca 0.00 -0.27 0.00 0.00 0.02 0.00 0.00 56.10 55.85 1s6d s TRP 76 Cb 0.00 0.30 0.00 0.00 -1.15 0.00 0.00 33.47 32.62 1s6d s TRP 76 CO 0.00 -1.19 0.00 -0.89 0.02 0.00 0.00 176.95 174.89 1s6d n ILE 77 N 3.42 0.00 0.31 2.03 2.08 -1.26 -4.36 119.36 121.58 1s6d n ILE 77 Ca 0.15 0.00 0.16 0.00 0.56 0.00 0.00 62.75 63.63 1s6d n ILE 77 Cb 0.57 0.00 0.84 0.00 -0.75 0.00 0.00 39.64 40.30 1s6d n ILE 77 CO 0.00 0.00 0.00 0.03 0.56 0.00 0.00 176.55 177.14 1s6d h ARG 78 N 0.00 0.00 0.00 0.38 -0.00 -2.00 0.52 114.38 113.28 1s6d h ARG 78 Ca 0.00 0.00 -0.20 0.00 -0.50 0.00 0.00 59.98 59.28 1s6d h ARG 78 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 29.97 29.94 1s6d h ARG 78 CO 0.00 0.00 -0.96 0.00 0.00 0.00 0.00 179.97 179.01 1s6d h MET 79 N 0.00 0.00 0.00 0.04 -0.00 -1.93 -3.23 114.93 109.81 1s6d h MET 79 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.72 1s6d h MET 79 Cb 0.66 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.26 1s6d h MET 79 CO -0.00 0.96 0.00 0.07 -0.00 0.00 0.00 176.91 177.94 1s6d h ARG 80 N 0.00 0.00 -1.12 -0.10 0.11 -0.21 -3.27 114.38 109.79 1s6d h ARG 80 Ca -0.01 0.00 0.33 0.00 0.10 0.00 0.00 59.98 60.40 1s6d h ARG 80 Cb 1.71 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 32.74 1s6d h ARG 80 CO 0.12 0.00 0.90 0.22 0.10 0.00 0.00 179.97 181.32 1s6d h ASP 81 N 0.00 0.00 0.07 0.08 3.58 -1.50 0.66 116.42 119.30 1s6d h ASP 81 Ca 0.00 0.00 -0.22 0.00 0.42 0.00 0.00 57.03 57.23 1s6d h ASP 81 Cb 0.66 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.70 1s6d h ASP 81 CO 0.00 0.00 -1.13 -0.61 -2.88 0.00 0.00 179.24 174.62 1s6d h GLN 82 N 0.00 0.14 0.00 0.28 4.15 -1.80 -3.31 115.11 114.57 1s6d h GLN 82 Ca 0.53 -0.24 0.00 0.00 0.77 0.00 0.00 58.65 59.71 1s6d h GLN 82 Cb 2.34 0.09 0.00 0.00 0.21 0.00 0.00 27.48 30.12 1s6d h GLN 82 CO -0.01 1.11 0.00 1.33 -1.93 0.00 0.00 178.83 179.34 1s6d n VAL 83 N -4.17 1.48 -0.00 2.39 0.24 0.42 -2.48 118.33 116.21 1s6d n VAL 83 Ca -0.24 0.45 -0.13 0.00 -2.04 0.00 0.00 64.34 62.38 1s6d n VAL 83 Cb 0.77 -1.37 -0.10 0.00 -1.47 0.00 0.00 33.84 31.67 1s6d n VAL 83 CO 0.00 0.00 0.00 0.24 -2.14 0.00 0.00 176.83 174.93 1s6d h MET 84 N 0.00 -0.06 0.00 7.34 2.86 0.08 0.78 114.93 125.92 1s6d h MET 84 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1s6d h MET 84 Cb 0.10 0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.77 1s6d h MET 84 CO 0.00 0.50 0.00 0.45 1.06 0.00 0.00 176.91 178.92 1s6d n SER 85 N -4.83 0.00 -0.01 1.22 2.88 -1.04 -2.71 113.62 109.13 1s6d n SER 85 Ca -0.09 -1.68 -0.01 0.00 -1.33 0.00 0.00 58.87 55.76 1s6d n SER 85 Cb 0.30 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.74 1s6d n SER 85 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 1s6d n MET 86 N -0.57 0.55 -0.13 -1.46 2.00 -1.08 -4.56 117.12 111.88 1s6d n MET 86 Ca 0.03 0.01 0.03 0.00 0.00 0.00 0.00 57.70 57.77 1s6d n MET 86 Cb 0.01 -1.04 0.09 0.00 0.00 0.00 0.00 33.22 32.28 1s6d n MET 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1s6d n ALA 87 N -2.50 2.55 -0.06 3.04 0.00 0.27 -1.25 120.51 122.56 1s6d n ALA 87 Ca -0.04 -0.37 -0.02 0.00 0.00 0.00 0.00 53.44 53.02 1s6d n ALA 87 Cb 0.54 -0.99 -0.14 0.00 0.00 0.00 0.00 19.45 18.86 1s6d n ALA 87 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 1s6d n HIS 88 N 0.08 0.00 0.00 0.00 1.44 -1.10 -4.35 115.22 111.29 1s6d n HIS 88 Ca 0.07 0.00 0.06 0.00 -2.01 0.00 0.00 57.72 55.83 1s6d n HIS 88 Cb 0.23 -0.68 -0.09 0.00 0.12 0.00 0.00 29.99 29.57 1s6d n HIS 88 CO 0.00 0.00 0.00 0.09 -2.81 0.00 0.00 176.34 173.62 1s6d n ASN 89 N -2.45 2.43 -0.01 4.39 5.03 -1.16 -4.05 115.26 119.44 1s6d n ASN 89 Ca -0.19 -0.01 -0.11 0.00 0.87 0.00 0.00 54.58 55.14 1s6d n ASN 89 Cb 0.84 1.50 -0.06 0.00 -1.02 0.00 0.00 39.78 41.04 1s6d n ASN 89 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.26 175.36 1s6d h LEU 90 N 0.00 0.12 -0.46 3.41 3.38 -1.42 0.15 115.31 120.49 1s6d h LEU 90 Ca 0.00 -0.11 -0.12 0.00 0.09 0.00 0.00 57.88 57.74 1s6d h LEU 90 Cb 0.51 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 1s6d h LEU 90 CO 0.00 0.19 -0.59 1.55 0.09 0.00 0.00 178.44 179.69 1s6d h PRO 91 N 0.04 0.00 -0.21 1.13 0.13 -1.80 -3.06 132.00 128.22 1s6d h PRO 91 Ca 0.03 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.08 1s6d h PRO 91 Cb 0.10 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.23 1s6d h PRO 91 CO -0.00 0.59 -0.18 0.82 -0.23 0.00 0.00 178.00 178.99 1s6d h ILE 92 N 0.00 1.32 0.00 -3.56 2.04 -1.66 0.66 117.51 116.32 1s6d h ILE 92 Ca -0.01 -1.33 0.00 0.00 1.00 0.00 0.00 64.86 64.52 1s6d h ILE 92 Cb 1.25 1.72 0.00 0.00 -0.74 0.00 0.00 36.82 39.05 1s6d h ILE 92 CO 0.08 0.41 0.00 -0.33 0.00 0.00 0.00 178.15 178.30 1s6d h GLU 93 N 0.18 0.00 0.00 2.37 5.08 -0.71 0.27 114.58 121.76 1s6d h GLU 93 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1s6d h GLU 93 Cb 0.72 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.97 1s6d h GLU 93 CO 0.05 0.00 -0.69 0.00 -1.00 0.00 0.00 179.01 177.37 1s6d n ASN 95 N -1.59 -1.91 0.00 0.00 4.05 0.94 -4.98 115.26 111.77 1s6d n ASN 95 Ca 0.05 0.00 -0.03 0.00 0.45 0.00 0.00 54.58 55.05 1s6d n ASN 95 Cb 0.35 -0.44 -0.02 0.00 1.23 0.00 0.00 39.78 40.90 1s6d n ASN 95 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 1s6d h LEU 96 N 0.00 -0.10 -2.94 1.20 3.38 0.13 -3.40 115.31 113.58 1s6d h LEU 96 Ca 0.00 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1s6d h LEU 96 Cb 0.37 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 1s6d h LEU 96 CO 0.00 0.40 -0.26 1.15 0.09 0.00 0.00 178.44 179.82 1s6d n MET 97 N -4.85 1.27 0.00 1.13 0.00 -1.14 -4.54 117.12 108.99 1s6d n MET 97 Ca -0.02 -2.74 0.00 0.00 0.00 0.00 0.00 57.70 54.94 1s6d n MET 97 Cb 0.07 -1.43 0.00 0.00 0.00 0.00 0.00 33.22 31.87 1s6d n MET 97 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 1s6d n SER 98 N -1.16 0.00 -2.73 3.17 3.41 -1.26 -4.21 113.62 110.84 1s6d n SER 98 Ca 0.16 0.64 -0.08 0.00 -0.26 0.00 0.00 58.87 59.32 1s6d n SER 98 Cb 0.68 -0.30 0.09 0.00 -0.26 0.00 0.00 64.21 64.43 1s6d n SER 98 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 1s6d n GLN 99 N -2.45 1.12 0.02 4.33 7.27 -1.26 -4.97 117.38 121.44 1s6d n GLN 99 Ca 0.00 -2.07 -0.01 0.00 0.07 0.00 0.00 57.00 54.99 1s6d n GLN 99 Cb 0.00 -0.58 -0.00 0.00 2.41 0.00 0.00 30.24 32.07 1s6d n GLN 99 CO 0.00 0.00 0.00 -1.00 0.07 0.00 0.00 177.06 176.13 1s6d h PRO 100 N 2.49 -0.06 -6.37 3.69 0.13 -1.90 -3.43 132.00 126.55 1s6d h PRO 100 Ca -0.18 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.41 1s6d h PRO 100 Cb 1.20 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1s6d h PRO 100 CO 0.08 -0.04 0.68 0.00 -0.23 0.00 0.00 178.00 178.50 1s6d n GLN 102 N 4.87 0.79 0.00 0.00 6.02 -1.26 -5.14 117.38 122.66 1s6d n GLN 102 Ca 0.11 -3.21 0.00 0.00 -0.01 0.00 0.00 57.00 53.89 1s6d n GLN 102 Cb 0.46 1.22 0.00 0.00 1.02 0.00 0.00 30.24 32.94 1s6d n GLN 102 CO 0.00 0.00 0.00 -0.12 -1.01 0.00 0.00 177.06 175.93