#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 1.44 0.00 0.54 4.11 -1.26 -5.11 117.16 116.88 1s6d n TYR 2 Ca 0.00 -2.11 0.00 0.00 -0.00 0.00 0.00 57.90 55.79 1s6d n TYR 2 Cb 0.00 -0.24 0.00 0.00 -0.00 0.00 0.00 39.34 39.10 1s6d n TYR 2 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1s6d n GLY 3 N -0.59 2.54 2.57 -7.48 0.00 -1.26 -4.08 105.19 96.88 1s6d n GLY 3 Ca 0.12 0.06 -0.25 0.00 0.00 0.00 0.00 46.02 45.95 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 0.00 0.47 0.00 1.61 3.52 -1.26 -5.12 118.95 118.17 1s6d s ARG 4 Ca 0.00 -0.94 0.00 0.00 -0.13 0.00 0.00 55.73 54.66 1s6d s ARG 4 Cb 0.00 -1.08 0.00 0.00 -1.56 0.00 0.00 34.95 32.31 1s6d s ARG 4 CO 0.00 -1.15 0.00 0.41 -0.81 0.00 0.00 175.30 173.75 1s6d n GLY 5 N 4.47 -0.20 3.14 8.12 0.00 -1.26 -5.18 105.19 114.29 1s6d n GLY 5 Ca 0.07 -1.02 -0.10 0.00 0.00 0.00 0.00 46.02 44.97 1s6d n GLY 5 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1s6d s ARG 6 N -2.00 0.64 -0.02 1.61 3.52 -1.26 -5.09 118.95 116.35 1s6d s ARG 6 Ca 0.00 -0.75 0.00 0.00 -0.13 0.00 0.00 55.73 54.86 1s6d s ARG 6 Cb 0.00 0.26 0.03 0.00 -1.56 0.00 0.00 34.95 33.68 1s6d s ARG 6 CO 0.00 -0.17 0.03 0.95 -0.81 0.00 0.00 175.30 175.29 1s6d s THR 7 N -2.74 -0.04 0.91 4.11 -4.23 -1.26 -5.16 115.64 107.24 1s6d s THR 7 Ca -0.04 0.20 -0.15 0.00 -1.18 0.00 0.00 61.69 60.52 1s6d s THR 7 Cb -0.00 -0.09 0.22 0.00 1.34 0.00 0.00 72.50 73.97 1s6d s THR 7 CO -0.05 0.09 0.88 -0.62 -0.54 0.00 0.00 174.62 174.38 1s6d n GLU 8 N 4.13 -2.35 -0.84 3.99 1.02 -1.26 -5.01 120.64 120.33 1s6d n GLU 8 Ca -0.27 -1.39 -0.33 0.00 -0.02 0.00 0.00 57.16 55.15 1s6d n GLU 8 Cb 0.50 -1.22 0.14 0.00 -0.02 0.00 0.00 31.44 30.84 1s6d n GLU 8 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1s6d n SER 9 N -4.30 -0.66 0.00 1.62 7.64 -1.26 -4.64 113.62 112.03 1s6d n SER 9 Ca 0.12 0.42 0.00 0.00 1.01 0.00 0.00 58.87 60.42 1s6d n SER 9 Cb 0.45 -1.35 0.00 0.00 -1.01 0.00 0.00 64.21 62.30 1s6d n SER 9 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1s6d n GLY 10 N 0.93 0.57 0.00 0.23 0.00 -1.26 -4.98 105.19 100.68 1s6d n GLY 10 Ca 0.10 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.39 0.76 -0.17 0.00 9.36 -1.26 -0.62 117.16 123.85 1s6d n TYR 12 Ca 0.00 1.14 -0.02 0.00 3.32 0.00 0.00 57.90 62.34 1s6d n TYR 12 Cb 0.00 -1.31 0.06 0.00 -0.63 0.00 0.00 39.34 37.45 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 0.06 0.00 2.98 5.75 -1.52 0.42 115.11 122.79 1s6d h GLN 13 Ca 0.65 -0.00 0.00 0.00 -0.15 0.00 0.00 58.65 59.15 1s6d h GLN 13 Cb 1.48 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 30.02 1s6d h GLN 13 CO -0.85 0.04 0.00 -0.56 -2.65 0.00 0.00 178.83 174.81 1s6d h GLN 14 N 0.06 0.00 -0.01 1.69 3.07 0.35 -3.30 115.11 116.97 1s6d h GLN 14 Ca 0.26 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.98 1s6d h GLN 14 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.97 1s6d h GLN 14 CO -0.49 0.00 -0.07 1.98 0.09 0.00 0.00 178.83 180.34 1s6d h MET 15 N 0.00 0.07 -0.92 0.06 4.05 0.14 -2.83 114.93 115.49 1s6d h MET 15 Ca 0.00 -0.06 0.11 0.00 -0.28 0.00 0.00 59.70 59.47 1s6d h MET 15 Cb 0.85 0.01 -0.08 0.00 -0.80 0.00 0.00 31.60 31.58 1s6d h MET 15 CO 0.00 0.75 0.56 1.05 0.23 0.00 0.00 176.91 179.50 1s6d h GLU 16 N -0.60 0.88 0.00 0.39 4.11 -0.41 0.24 114.58 119.19 1s6d h GLU 16 Ca -0.01 -0.05 -0.03 0.00 0.07 0.00 0.00 59.36 59.34 1s6d h GLU 16 Cb 0.77 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.82 1s6d h GLU 16 CO 0.01 0.58 -0.13 1.49 0.07 0.00 0.00 179.01 181.03 1s6d h GLU 17 N 0.90 0.00 -0.77 1.06 4.81 -1.63 -2.66 114.58 116.30 1s6d h GLU 17 Ca 0.45 0.00 -0.50 0.00 -0.13 0.00 0.00 59.36 59.18 1s6d h GLU 17 Cb 0.43 0.00 -0.42 0.00 0.63 0.00 0.00 28.75 29.39 1s6d h GLU 17 CO -0.26 0.13 -0.86 0.00 -0.73 0.00 0.00 179.01 177.29 1s6d n ALA 18 N -2.20 4.64 -1.39 2.92 0.00 -0.18 -5.04 120.51 119.25 1s6d n ALA 18 Ca -0.00 -3.67 -0.19 0.00 0.00 0.00 0.00 53.44 49.58 1s6d n ALA 18 Cb 0.33 -0.43 -0.19 0.00 0.00 0.00 0.00 19.45 19.16 1s6d n ALA 18 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1s6d n GLU 19 N -0.66 0.00 0.06 0.00 2.13 0.67 -4.67 120.64 118.16 1s6d n GLU 19 Ca 0.38 0.00 -0.06 0.00 0.66 0.00 0.00 57.16 58.14 1s6d n GLU 19 Cb 0.92 -0.97 -0.10 0.00 0.27 0.00 0.00 31.44 31.55 1s6d n GLU 19 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1s6d h MET 20 N 10.44 0.00 -0.50 5.31 -0.00 -1.92 -2.91 114.93 125.36 1s6d h MET 20 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.73 1s6d h MET 20 Cb 1.08 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.68 1s6d h MET 20 CO 1.50 0.85 0.00 1.28 -0.00 0.00 0.00 176.91 180.55 1s6d n LEU 21 N -3.28 1.59 0.15 -0.10 7.99 -1.26 -3.35 117.00 118.74 1s6d n LEU 21 Ca -0.02 -0.80 0.08 0.00 -0.01 0.00 0.00 56.01 55.26 1s6d n LEU 21 Cb 0.93 -0.32 0.06 0.00 -0.11 0.00 0.00 43.42 43.99 1s6d n LEU 21 CO 0.46 0.30 0.39 -1.13 -1.51 0.00 0.00 177.39 175.91 1s6d h ASN 22 N 1.12 0.00 0.00 -1.43 -0.00 -1.88 -2.93 115.58 110.47 1s6d h ASN 22 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 56.30 56.21 1s6d h ASN 22 Cb 0.54 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 38.85 1s6d h ASN 22 CO 0.06 0.18 -1.19 1.41 -0.00 0.00 0.00 177.43 177.89 1s6d n HIS 23 N -2.99 0.00 0.26 0.67 -0.00 -1.21 -4.10 115.22 107.85 1s6d n HIS 23 Ca 0.01 0.00 0.15 0.00 -0.00 0.00 0.00 57.72 57.87 1s6d n HIS 23 Cb 0.62 -0.53 0.78 0.00 -0.00 0.00 0.00 29.99 30.86 1s6d n HIS 23 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1s6d h GLY 25 N 0.00 -0.89 -0.70 0.00 0.00 -1.69 -3.27 103.07 96.53 1s6d h GLY 25 Ca 0.00 0.33 0.17 0.00 0.00 0.00 0.00 47.33 47.83 1s6d h GLY 25 CO 0.00 -0.32 -0.22 -0.33 0.00 0.00 0.00 176.54 175.67 1s6d h MET 26 N -1.00 -0.00 -1.04 4.80 2.86 -1.57 0.78 114.93 119.76 1s6d h MET 26 Ca -0.09 0.00 0.32 0.00 -2.06 0.00 0.00 59.70 57.87 1s6d h MET 26 Cb 0.65 0.00 -0.14 0.00 0.06 0.00 0.00 31.60 32.17 1s6d h MET 26 CO 0.14 -0.00 0.61 -0.92 1.06 0.00 0.00 176.91 177.80 1s6d h TYR 27 N -0.00 0.87 0.00 -0.22 3.20 -1.64 0.70 116.97 119.88 1s6d h TYR 27 Ca 0.40 0.03 -0.16 0.00 3.14 0.00 0.00 58.73 62.15 1s6d h TYR 27 Cb 0.62 -0.23 -0.03 0.00 1.54 0.00 0.00 36.73 38.63 1s6d h TYR 27 CO -0.67 -0.13 -1.59 1.28 -1.64 0.00 0.00 178.16 175.42 1s6d n LEU 28 N -4.95 0.63 -0.49 2.82 4.77 0.12 -3.91 117.00 115.99 1s6d n LEU 28 Ca 0.31 0.27 0.07 0.00 -0.03 0.00 0.00 56.01 56.63 1s6d n LEU 28 Cb 0.99 0.11 0.25 0.00 -2.33 0.00 0.00 43.42 42.44 1s6d n LEU 28 CO 0.13 0.14 0.68 0.80 -1.33 0.00 0.00 177.39 177.82 1s6d n MET 29 N -2.77 1.62 0.11 3.23 1.56 0.23 -3.71 117.12 117.39 1s6d n MET 29 Ca -0.11 -0.95 0.12 0.00 -0.27 0.00 0.00 57.70 56.48 1s6d n MET 29 Cb 0.82 -1.28 0.10 0.00 2.15 0.00 0.00 33.22 35.01 1s6d n MET 29 CO 0.00 0.00 0.00 -0.22 -0.73 0.00 0.00 175.97 175.02 1s6d h LYS 30 N 1.69 0.00 0.00 2.12 3.64 0.18 -3.27 116.57 120.93 1s6d h LYS 30 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1s6d h LYS 30 Cb 0.38 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 1s6d h LYS 30 CO 0.00 0.00 -0.73 0.09 -2.27 0.00 0.00 179.45 176.54 1s6d n ASN 31 N -2.55 1.17 0.24 4.20 4.13 -1.25 -4.49 115.26 116.72 1s6d n ASN 31 Ca 0.02 -0.50 0.15 0.00 1.68 0.00 0.00 54.58 55.93 1s6d n ASN 31 Cb 0.51 1.13 0.44 0.00 -1.54 0.00 0.00 39.78 40.31 1s6d n ASN 31 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 1s6d h LEU 32 N 0.00 0.00 0.00 3.41 3.38 -1.64 -3.48 115.31 116.98 1s6d h LEU 32 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1s6d h LEU 32 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1s6d h LEU 32 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 1s6d n GLY 33 N 0.56 3.03 2.64 0.83 0.00 -1.23 -5.04 105.19 105.98 1s6d n GLY 33 Ca 0.02 -1.16 -0.09 0.00 0.00 0.00 0.00 46.02 44.79 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 0.73 1.14 -1.67 1.61 0.00 -1.26 -4.91 120.64 116.28 1s6d n GLU 34 Ca 0.00 -2.61 -0.50 0.00 0.00 0.00 0.00 57.16 54.05 1s6d n GLU 34 Cb 0.00 -0.79 -0.05 0.00 0.00 0.00 0.00 31.44 30.59 1s6d n GLU 34 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 1s6d n ARG 35 N -0.22 1.79 -3.83 5.31 0.63 -1.26 -4.95 116.66 114.14 1s6d n ARG 35 Ca 0.05 0.65 -0.09 0.00 -0.92 0.00 0.00 57.85 57.54 1s6d n ARG 35 Cb 0.81 -2.41 -0.07 0.00 0.45 0.00 0.00 32.46 31.24 1s6d n ARG 35 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1s6d s SER 36 N 2.54 0.02 -0.33 6.15 0.15 -1.26 -5.14 113.70 115.83 1s6d s SER 36 Ca 0.89 -0.62 0.06 0.00 0.70 0.00 0.00 55.95 56.98 1s6d s SER 36 Cb -0.81 0.39 0.19 0.00 -1.71 0.00 0.00 66.02 64.08 1s6d s SER 36 CO 0.50 -0.80 0.56 -1.10 1.20 0.00 0.00 173.24 173.61 1s6d s GLN 37 N -3.87 0.61 0.36 5.44 -0.21 -1.26 -5.13 119.66 115.59 1s6d s GLN 37 Ca 0.07 0.20 0.04 0.00 0.02 0.00 0.00 55.36 55.70 1s6d s GLN 37 Cb 0.04 0.08 -0.03 0.00 1.00 0.00 0.00 33.01 34.10 1s6d s GLN 37 CO -0.09 -1.09 0.18 0.14 -2.12 0.00 0.00 175.29 172.31 1s6d s VAL 38 N 2.46 0.36 0.20 1.09 -7.23 -1.26 -5.05 120.40 110.97 1s6d s VAL 38 Ca 0.12 -2.00 -0.20 0.00 -1.81 0.00 0.00 61.98 58.09 1s6d s VAL 38 Cb -0.09 -2.44 0.16 0.00 0.56 0.00 0.00 36.38 34.57 1s6d s VAL 38 CO -0.20 0.00 1.57 0.28 -0.31 0.00 0.00 175.10 176.43 1s6d h SER 39 N 2.01 -1.36 -1.09 4.85 0.02 -2.09 -3.41 113.55 112.48 1s6d h SER 39 Ca -0.32 0.27 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 1s6d h SER 39 Cb 1.25 0.68 0.00 0.00 0.14 0.00 0.00 62.40 64.48 1s6d h SER 39 CO 0.50 -0.30 0.00 -0.81 -1.14 0.00 0.00 176.83 175.08 1s6d n PRO 40 N -5.44 -0.33 0.11 3.45 -0.04 -1.26 -5.06 135.00 126.44 1s6d n PRO 40 Ca 0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 1s6d n PRO 40 Cb 0.37 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.83 1s6d n PRO 40 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1s6d n ARG 41 N -1.02 0.00 -3.46 0.54 0.63 -1.26 -4.98 116.66 107.11 1s6d n ARG 41 Ca 0.00 0.00 -0.09 0.00 -0.92 0.00 0.00 57.85 56.84 1s6d n ARG 41 Cb 0.00 0.00 -0.09 0.00 0.45 0.00 0.00 32.46 32.82 1s6d n ARG 41 CO 0.00 0.00 0.00 -1.64 -2.51 0.00 0.00 177.63 173.48 1s6d s MET 42 N -1.47 0.34 -0.35 -0.14 -1.94 -1.26 -5.08 119.30 109.40 1s6d s MET 42 Ca 0.00 0.73 -0.05 0.00 -1.71 0.00 0.00 55.69 54.66 1s6d s MET 42 Cb 0.00 -0.16 0.19 0.00 2.01 0.00 0.00 34.83 36.87 1s6d s MET 42 CO 0.00 -0.49 0.93 0.50 -0.01 0.00 0.00 175.02 175.95 1s6d s ARG 43 N 2.57 0.35 -0.09 2.03 3.52 -1.26 -5.17 118.95 120.90 1s6d s ARG 43 Ca 0.07 -0.10 -0.32 0.00 -0.13 0.00 0.00 55.73 55.25 1s6d s ARG 43 Cb -0.14 0.05 0.13 0.00 -1.56 0.00 0.00 34.95 33.43 1s6d s ARG 43 CO -0.15 -0.52 1.42 -1.83 -0.81 0.00 0.00 175.30 173.41 1s6d s GLU 44 N 1.97 0.04 0.55 5.12 1.03 -1.26 -5.17 118.70 120.97 1s6d s GLU 44 Ca 0.15 -0.02 -0.09 0.00 0.03 0.00 0.00 54.97 55.04 1s6d s GLU 44 Cb 0.01 0.01 -0.04 0.00 -0.80 0.00 0.00 34.13 33.31 1s6d s GLU 44 CO -0.13 -0.02 0.91 -1.21 -1.33 0.00 0.00 175.26 173.48 1s6d s GLU 45 N -2.03 3.59 0.87 -4.83 8.01 -1.26 -5.08 118.70 117.97 1s6d s GLU 45 Ca 0.20 0.50 -0.14 0.00 0.01 0.00 0.00 54.97 55.54 1s6d s GLU 45 Cb 0.05 -2.22 0.22 0.00 -4.31 0.00 0.00 34.13 27.87 1s6d s GLU 45 CO -0.06 -0.38 0.66 -0.25 0.01 0.00 0.00 175.26 175.24 1s6d n ASP 46 N -2.44 -2.39 -3.90 -0.19 9.92 -1.26 -5.04 116.55 111.24 1s6d n ASP 46 Ca 0.03 -0.79 -0.28 0.00 -0.53 0.00 0.00 54.79 53.22 1s6d n ASP 46 Cb 0.54 -0.65 -0.16 0.00 -0.64 0.00 0.00 41.12 40.21 1s6d n ASP 46 CO 0.00 0.00 0.00 -1.00 0.13 0.00 0.00 177.20 176.33 1s6d s HIS 47 N -2.07 1.74 0.00 1.24 3.76 -1.26 -4.79 115.29 113.90 1s6d s HIS 47 Ca 0.45 -1.08 0.00 0.00 -0.15 0.00 0.00 55.06 54.28 1s6d s HIS 47 Cb -0.06 -1.33 0.00 0.00 1.11 0.00 0.00 32.58 32.30 1s6d s HIS 47 CO 0.36 -0.61 0.00 1.17 -0.85 0.00 0.00 174.74 174.81 1s6d n LYS 48 N 4.87 0.00 0.04 1.40 4.81 -1.26 -4.65 118.16 123.37 1s6d n LYS 48 Ca -0.12 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.30 1s6d n LYS 48 Cb 0.48 0.00 -0.08 0.00 0.02 0.00 0.00 35.03 35.45 1s6d n LYS 48 CO 0.00 0.00 0.00 -0.56 1.17 0.00 0.00 177.40 178.01 1s6d h GLN 49 N 0.00 0.00 -0.04 1.64 3.07 -1.98 -2.88 115.11 114.93 1s6d h GLN 49 Ca 0.00 0.00 -0.16 0.00 0.09 0.00 0.00 58.65 58.58 1s6d h GLN 49 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.55 1s6d h GLN 49 CO 0.00 0.39 -0.71 -0.07 0.09 0.00 0.00 178.83 178.53 1s6d h LEU 50 N 0.00 0.24 0.18 0.06 3.38 -1.92 0.48 115.31 117.72 1s6d h LEU 50 Ca -0.15 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 1s6d h LEU 50 Cb 1.63 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.31 1s6d h LEU 50 CO 0.06 0.86 -0.09 0.00 0.09 0.00 0.00 178.44 179.37 1s6d h MET 53 N 0.00 -0.51 0.00 0.00 -1.53 -0.95 -3.13 114.93 108.80 1s6d h MET 53 Ca 0.16 0.03 -0.02 0.00 -3.44 0.00 0.00 59.70 56.43 1s6d h MET 53 Cb 1.21 0.12 -0.00 0.00 -0.55 0.00 0.00 31.60 32.38 1s6d h MET 53 CO -0.00 -0.34 -0.11 1.96 0.14 0.00 0.00 176.91 178.56 1s6d h GLN 54 N -0.74 0.00 -0.44 0.39 1.08 -0.86 -2.21 115.11 112.32 1s6d h GLN 54 Ca -0.05 0.00 0.05 0.00 -1.45 0.00 0.00 58.65 57.19 1s6d h GLN 54 Cb 0.41 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.79 1s6d h GLN 54 CO 0.09 0.11 0.19 -0.07 -0.95 0.00 0.00 178.83 178.20 1s6d h LEU 55 N 0.00 0.24 -1.03 1.46 -0.00 -0.83 -0.38 115.31 114.78 1s6d h LEU 55 Ca -0.00 0.04 -0.06 0.00 -0.00 0.00 0.00 57.88 57.85 1s6d h LEU 55 Cb 0.27 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.91 1s6d h LEU 55 CO 0.01 0.17 -0.00 0.50 -0.00 0.00 0.00 178.44 179.13 1s6d h LYS 56 N 0.38 0.69 -0.32 1.13 3.64 -1.35 -1.69 116.57 119.06 1s6d h LYS 56 Ca 0.20 -0.17 0.09 0.00 -1.27 0.00 0.00 60.65 59.50 1s6d h LYS 56 Cb 0.16 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 1s6d h LYS 56 CO -0.18 0.71 0.25 -0.97 -2.27 0.00 0.00 179.45 176.99 1s6d h ASN 57 N 0.65 0.00 -2.32 4.20 -1.24 -1.01 -3.43 115.58 112.43 1s6d h ASN 57 Ca 0.13 0.00 -0.15 0.00 0.71 0.00 0.00 56.30 56.99 1s6d h ASN 57 Cb 0.41 0.00 0.07 0.00 0.73 0.00 0.00 38.32 39.53 1s6d h ASN 57 CO 0.02 0.00 0.08 0.18 -1.29 0.00 0.00 177.43 176.41 1s6d n LEU 58 N -4.29 0.00 -4.87 0.34 4.77 -0.28 -5.04 117.00 107.63 1s6d n LEU 58 Ca 0.05 -0.46 -0.37 0.00 -0.03 0.00 0.00 56.01 55.20 1s6d n LEU 58 Cb 0.42 -0.37 -0.06 0.00 -2.33 0.00 0.00 43.42 41.07 1s6d n LEU 58 CO 0.34 -1.27 -0.12 -1.81 -1.33 0.00 0.00 177.39 173.21 1s6d s ASP 59 N -2.65 6.46 0.35 -1.43 1.11 -1.26 -4.96 116.67 114.29 1s6d s ASP 59 Ca 0.27 0.55 0.22 0.00 0.18 0.00 0.00 52.55 53.77 1s6d s ASP 59 Cb -0.02 -2.10 1.19 0.00 1.07 0.00 0.00 42.92 43.05 1s6d s ASP 59 CO 0.20 0.38 1.65 -0.08 1.18 0.00 0.00 175.17 178.51 1s6d h GLU 60 N 5.01 0.00 -0.03 8.23 4.81 -1.91 0.57 114.58 131.27 1s6d h GLU 60 Ca -0.54 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.69 1s6d h GLU 60 Cb 1.22 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.60 1s6d h GLU 60 CO 0.59 0.00 -0.04 0.36 -0.73 0.00 0.00 179.01 179.20 1s6d n LYS 61 N -2.28 2.07 -0.04 1.92 2.85 -1.26 -3.85 118.16 117.57 1s6d n LYS 61 Ca -0.01 -1.62 0.09 0.00 -1.05 0.00 0.00 58.31 55.71 1s6d n LYS 61 Cb 0.08 -1.47 0.10 0.00 -0.65 0.00 0.00 35.03 33.09 1s6d n LYS 61 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1s6d n MET 63 N 0.98 3.93 0.00 0.00 2.81 -1.09 -2.66 117.12 121.09 1s6d n MET 63 Ca 0.11 -4.24 0.00 0.00 -1.81 0.00 0.00 57.70 51.76 1s6d n MET 63 Cb 0.44 -2.67 0.00 0.00 -0.71 0.00 0.00 33.22 30.28 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 0.14 0.00 0.00 0.13 -1.84 -3.23 132.00 127.20 1s6d h PRO 65 Ca 0.00 -0.13 -0.00 0.00 -0.87 0.00 0.00 66.00 65.00 1s6d h PRO 65 Cb 0.00 0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.16 1s6d h PRO 65 CO 0.00 0.84 -0.00 0.00 -0.23 0.00 0.00 178.00 178.61 1s6d h ALA 66 N 1.12 -0.00 -1.00 -0.56 0.00 -1.84 -3.14 119.26 113.84 1s6d h ALA 66 Ca -0.02 -0.24 0.37 0.00 0.00 0.00 0.00 54.91 55.02 1s6d h ALA 66 Cb 1.35 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 18.98 1s6d h ALA 66 CO 0.11 -0.26 0.55 0.82 0.00 0.00 0.00 179.25 180.47 1s6d h ILE 67 N -0.48 0.15 0.00 0.00 1.08 -1.73 0.21 117.51 116.76 1s6d h ILE 67 Ca -0.00 -0.06 0.00 0.00 -0.39 0.00 0.00 64.86 64.41 1s6d h ILE 67 Cb 0.47 -0.03 -0.00 0.00 -3.07 0.00 0.00 36.82 34.20 1s6d h ILE 67 CO 0.00 0.03 -0.01 -0.03 -0.69 0.00 0.00 178.15 177.46 1s6d h MET 68 N 0.17 -0.01 -0.42 2.37 4.05 -1.58 -2.83 114.93 116.68 1s6d h MET 68 Ca 0.79 0.00 0.12 0.00 -0.28 0.00 0.00 59.70 60.33 1s6d h MET 68 Cb 1.95 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 32.74 1s6d h MET 68 CO -0.69 -0.01 0.34 0.52 0.23 0.00 0.00 176.91 177.31 1s6d h MET 69 N -0.01 0.00 -0.85 0.39 2.86 -0.78 -0.12 114.93 116.42 1s6d h MET 69 Ca -0.00 0.00 0.08 0.00 -2.06 0.00 0.00 59.70 57.72 1s6d h MET 69 Cb 0.01 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 31.60 1s6d h MET 69 CO -0.00 0.00 0.51 1.98 1.06 0.00 0.00 176.91 180.46 1s6d h MET 70 N 0.00 0.87 -0.78 1.72 -1.53 -0.50 0.15 114.93 114.85 1s6d h MET 70 Ca 0.20 -0.05 -0.00 0.00 -3.44 0.00 0.00 59.70 56.40 1s6d h MET 70 Cb 0.87 -0.20 -0.00 0.00 -0.55 0.00 0.00 31.60 31.72 1s6d h MET 70 CO -0.00 0.58 0.00 1.28 0.14 0.00 0.00 176.91 178.91 1s6d n LEU 71 N -4.67 3.48 0.00 3.39 4.77 -0.06 -3.35 117.00 120.55 1s6d n LEU 71 Ca 0.13 -1.76 0.00 0.00 -0.03 0.00 0.00 56.01 54.35 1s6d n LEU 71 Cb 0.23 -0.60 0.00 0.00 -2.33 0.00 0.00 43.42 40.72 1s6d n LEU 71 CO 0.29 0.45 0.27 0.59 -1.33 0.00 0.00 177.39 177.66 1s6d n ASN 72 N 0.32 1.03 -4.76 -1.43 4.13 0.46 -4.69 115.26 110.32 1s6d n ASN 72 Ca 0.15 -1.19 -0.29 0.00 1.68 0.00 0.00 54.58 54.92 1s6d n ASN 72 Cb 0.75 0.00 0.14 0.00 -1.54 0.00 0.00 39.78 39.12 1s6d n ASN 72 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1s6d s GLU 73 N -0.19 1.18 0.00 3.52 0.41 -0.89 -4.89 118.70 117.84 1s6d s GLU 73 Ca 0.00 0.43 -0.00 0.00 -0.41 0.00 0.00 54.97 54.99 1s6d s GLU 73 Cb 0.00 -1.83 -0.01 0.00 -1.78 0.00 0.00 34.13 30.51 1s6d s GLU 73 CO 0.00 -2.20 1.27 -0.35 -0.49 0.00 0.00 175.26 173.49 1s6d n PRO 74 N -3.79 0.64 -0.52 0.39 -0.04 -1.26 -2.43 135.00 127.98 1s6d n PRO 74 Ca 0.06 -0.03 -0.01 0.00 -0.04 0.00 0.00 63.50 63.48 1s6d n PRO 74 Cb 0.58 -1.23 -0.01 0.00 -0.04 0.00 0.00 33.50 32.80 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 1.75 0.00 -3.10 0.54 0.00 -1.26 -5.05 117.12 110.00 1s6d n MET 75 Ca 0.01 -0.21 -0.06 0.00 0.00 0.00 0.00 57.70 57.44 1s6d n MET 75 Cb 0.32 0.13 -0.02 0.00 0.00 0.00 0.00 33.22 33.65 1s6d n MET 75 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 175.97 174.39 1s6d s TRP 76 N 0.00 -1.21 0.00 1.12 0.52 -1.02 -4.92 118.94 113.42 1s6d s TRP 76 Ca 0.00 -0.43 0.00 0.00 0.02 0.00 0.00 56.10 55.69 1s6d s TRP 76 Cb 0.00 0.09 0.00 0.00 -1.15 0.00 0.00 33.47 32.41 1s6d s TRP 76 CO 0.00 -1.15 0.00 -0.89 0.02 0.00 0.00 176.95 174.93 1s6d n ILE 77 N 3.75 0.00 -0.34 2.03 2.08 -1.26 -4.21 119.36 121.41 1s6d n ILE 77 Ca 0.15 0.00 0.22 0.00 0.56 0.00 0.00 62.75 63.68 1s6d n ILE 77 Cb 0.54 0.00 0.49 0.00 -0.75 0.00 0.00 39.64 39.92 1s6d n ILE 77 CO 0.00 0.00 0.00 0.08 0.56 0.00 0.00 176.55 177.19 1s6d h ARG 78 N 0.00 0.40 -0.80 0.38 0.11 -2.00 0.38 114.38 112.85 1s6d h ARG 78 Ca 0.00 -0.02 0.03 0.00 0.10 0.00 0.00 59.98 60.09 1s6d h ARG 78 Cb 0.00 -0.09 -0.05 0.00 1.11 0.00 0.00 29.97 30.94 1s6d h ARG 78 CO 0.00 0.27 0.51 0.00 0.10 0.00 0.00 179.97 180.85 1s6d h MET 79 N 0.42 0.97 -0.32 0.08 -0.00 -1.96 -1.17 114.93 112.95 1s6d h MET 79 Ca 0.63 -0.06 0.09 0.00 -0.00 0.00 0.00 59.70 60.36 1s6d h MET 79 Cb 1.52 -0.22 -0.01 0.00 -0.00 0.00 0.00 31.60 32.88 1s6d h MET 79 CO -0.36 0.64 0.37 0.07 -0.00 0.00 0.00 176.91 177.64 1s6d h ARG 80 N 1.00 0.00 -0.98 -0.10 0.11 -0.52 -2.75 114.38 111.13 1s6d h ARG 80 Ca 0.32 0.00 0.34 0.00 0.10 0.00 0.00 59.98 60.74 1s6d h ARG 80 Cb 0.01 0.00 -0.18 0.00 1.11 0.00 0.00 29.97 30.91 1s6d h ARG 80 CO -0.11 0.00 0.27 -3.47 0.10 0.00 0.00 179.97 176.76 1s6d n ASP 81 N -3.67 0.11 -0.01 0.08 -0.08 -0.44 0.13 116.55 112.67 1s6d n ASP 81 Ca 0.05 1.65 -0.13 0.00 -1.51 0.00 0.00 54.79 54.86 1s6d n ASP 81 Cb 0.53 -0.70 -0.10 0.00 2.34 0.00 0.00 41.12 43.18 1s6d n ASP 81 CO 0.00 0.00 0.00 -0.61 0.12 0.00 0.00 177.20 176.71 1s6d h GLN 82 N 0.00 -0.05 0.00 -0.67 4.15 -1.70 -2.84 115.11 114.00 1s6d h GLN 82 Ca 0.72 0.00 0.00 0.00 0.77 0.00 0.00 58.65 60.14 1s6d h GLN 82 Cb 1.72 0.01 0.00 0.00 0.21 0.00 0.00 27.48 29.42 1s6d h GLN 82 CO -0.84 0.51 0.00 1.33 -1.93 0.00 0.00 178.83 177.89 1s6d n VAL 83 N -4.84 1.32 -0.03 2.39 0.24 0.94 -2.40 118.33 115.96 1s6d n VAL 83 Ca -0.09 0.61 -0.09 0.00 -2.04 0.00 0.00 64.34 62.73 1s6d n VAL 83 Cb 0.29 -1.59 -0.08 0.00 -1.47 0.00 0.00 33.84 30.99 1s6d n VAL 83 CO 0.00 0.00 0.00 -0.03 -2.14 0.00 0.00 176.83 174.66 1s6d h MET 84 N 0.00 -0.06 0.00 7.34 4.05 0.13 0.37 114.93 126.75 1s6d h MET 84 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1s6d h MET 84 Cb 0.04 0.01 0.00 0.00 -0.80 0.00 0.00 31.60 30.85 1s6d h MET 84 CO 0.00 0.48 0.00 0.45 0.23 0.00 0.00 176.91 178.07 1s6d n SER 85 N -4.76 0.00 -0.03 1.39 2.88 -1.02 -2.53 113.62 109.55 1s6d n SER 85 Ca -0.07 -1.80 -0.05 0.00 -1.33 0.00 0.00 58.87 55.62 1s6d n SER 85 Cb 0.28 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.72 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 -0.51 0.12 -0.03 -1.46 2.00 -1.01 -4.58 117.12 111.65 1s6d n MET 86 Ca 0.01 0.04 0.01 0.00 0.00 0.00 0.00 57.70 57.75 1s6d n MET 86 Cb 0.00 -0.88 0.02 0.00 0.00 0.00 0.00 33.22 32.37 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 -2.99 2.52 0.08 3.04 0.00 0.13 -1.78 120.51 121.50 1s6d n ALA 87 Ca -0.10 -0.09 0.11 0.00 0.00 0.00 0.00 53.44 53.36 1s6d n ALA 87 Cb 0.59 -1.00 -0.09 0.00 0.00 0.00 0.00 19.45 18.95 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 -0.27 0.45 -0.02 0.00 1.44 -1.05 -4.28 115.22 111.49 1s6d n HIS 88 Ca 0.02 0.13 -0.01 0.00 -2.01 0.00 0.00 57.72 55.84 1s6d n HIS 88 Cb 0.10 -0.70 -0.04 0.00 0.12 0.00 0.00 29.99 29.48 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 -2.43 3.87 -0.18 4.39 5.03 -1.09 -4.32 115.26 120.54 1s6d n ASN 89 Ca -0.02 0.00 -0.01 0.00 0.87 0.00 0.00 54.58 55.42 1s6d n ASN 89 Cb 0.55 0.74 0.09 0.00 -1.02 0.00 0.00 39.78 40.14 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 -0.03 -1.08 3.41 3.38 -1.58 0.27 115.31 119.67 1s6d h LEU 90 Ca -0.10 0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1s6d h LEU 90 Cb 1.07 0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.97 1s6d h LEU 90 CO 0.01 0.00 -0.13 1.55 0.09 0.00 0.00 178.44 179.95 1s6d h PRO 91 N 0.23 0.00 -0.15 1.13 0.13 -1.82 -3.15 132.00 128.36 1s6d h PRO 91 Ca 0.28 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 65.19 1s6d h PRO 91 Cb 0.41 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.55 1s6d h PRO 91 CO -0.38 0.13 -0.79 0.82 -0.23 0.00 0.00 178.00 177.55 1s6d h ILE 92 N 0.00 1.27 -0.01 -3.56 2.04 -1.02 0.60 117.51 116.83 1s6d h ILE 92 Ca -0.00 -1.98 0.00 0.00 1.00 0.00 0.00 64.86 63.88 1s6d h ILE 92 Cb 0.71 1.99 -0.00 0.00 -0.74 0.00 0.00 36.82 38.78 1s6d h ILE 92 CO 0.02 0.63 0.07 -0.33 0.00 0.00 0.00 178.15 178.53 1s6d h GLU 93 N 0.54 0.00 0.00 2.37 4.39 -0.55 0.21 114.58 121.54 1s6d h GLU 93 Ca -0.06 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.64 1s6d h GLU 93 Cb 1.42 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.07 1s6d h GLU 93 CO 0.16 0.00 -1.55 0.00 -1.16 0.00 0.00 179.01 176.46 1s6d n ASN 95 N -2.03 -1.21 -0.09 0.00 4.05 0.74 -5.01 115.26 111.70 1s6d n ASN 95 Ca -0.01 0.00 -0.14 0.00 0.45 0.00 0.00 54.58 54.88 1s6d n ASN 95 Cb 0.49 -0.30 -0.14 0.00 1.23 0.00 0.00 39.78 41.05 1s6d n ASN 95 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 1s6d n LEU 96 N -0.35 1.55 -1.30 1.20 4.77 0.20 -4.62 117.00 118.44 1s6d n LEU 96 Ca 0.00 0.02 0.03 0.00 -0.03 0.00 0.00 56.01 56.03 1s6d n LEU 96 Cb 0.30 -0.27 0.01 0.00 -2.33 0.00 0.00 43.42 41.14 1s6d n LEU 96 CO 0.00 0.70 0.10 1.15 -1.33 0.00 0.00 177.39 178.01 1s6d n MET 97 N -3.06 0.00 -0.03 3.23 0.00 -1.20 -4.31 117.12 111.74 1s6d n MET 97 Ca -0.36 -1.78 -0.01 0.00 0.00 0.00 0.00 57.70 55.55 1s6d n MET 97 Cb 1.07 -0.07 -0.01 0.00 0.00 0.00 0.00 33.22 34.21 1s6d n MET 97 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 1s6d n SER 98 N 0.39 -0.09 -2.72 3.17 7.64 -1.26 -4.19 113.62 116.56 1s6d n SER 98 Ca 0.04 0.92 -0.08 0.00 1.01 0.00 0.00 58.87 60.75 1s6d n SER 98 Cb 1.05 -0.40 0.10 0.00 -1.01 0.00 0.00 64.21 63.95 1s6d n SER 98 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 1s6d n GLN 99 N -3.07 1.14 0.00 1.43 7.27 -1.26 -4.99 117.38 117.90 1s6d n GLN 99 Ca 0.00 -2.05 0.00 0.00 0.07 0.00 0.00 57.00 55.02 1s6d n GLN 99 Cb 0.02 -0.46 0.00 0.00 2.41 0.00 0.00 30.24 32.21 1s6d n GLN 99 CO 0.00 0.00 0.00 -0.35 0.07 0.00 0.00 177.06 176.78 1s6d n PRO 100 N -0.29 0.00 -2.50 3.69 -0.04 -1.26 -4.73 135.00 129.87 1s6d n PRO 100 Ca 0.01 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.05 1s6d n PRO 100 Cb 0.80 -0.65 -0.02 0.00 -0.04 0.00 0.00 33.50 33.59 1s6d n PRO 100 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1s6d n GLN 102 N 6.57 0.78 0.00 0.00 6.02 -1.26 -5.12 117.38 124.36 1s6d n GLN 102 Ca 0.13 -3.24 0.00 0.00 -0.01 0.00 0.00 57.00 53.88 1s6d n GLN 102 Cb 0.45 1.24 0.00 0.00 1.02 0.00 0.00 30.24 32.95 1s6d n GLN 102 CO 0.00 0.00 0.00 -0.12 -1.01 0.00 0.00 177.06 175.93