#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s6d s TYR 2 N 0.00 0.00 0.72 0.54 1.13 -1.26 -5.19 117.35 113.30 1s6d s TYR 2 Ca 0.00 -0.50 -0.03 0.00 -1.41 0.00 0.00 57.07 55.13 1s6d s TYR 2 Cb 0.00 0.74 0.11 0.00 -1.10 0.00 0.00 41.96 41.72 1s6d s TYR 2 CO 0.00 -1.20 1.00 0.20 -2.51 0.00 0.00 175.55 173.04 1s6d s GLY 3 N -3.11 1.76 0.12 5.49 0.00 -1.26 -5.13 107.32 105.19 1s6d s GLY 3 Ca 0.16 -1.51 0.10 0.00 0.00 0.00 0.00 44.72 43.47 1s6d s GLY 3 CO 0.07 -0.98 -0.25 -1.60 0.00 0.00 0.00 173.10 170.34 1s6d s ARG 4 N -5.18 1.31 0.00 2.90 3.52 -1.26 -4.95 118.95 115.29 1s6d s ARG 4 Ca 0.65 -1.29 0.00 0.00 -0.13 0.00 0.00 55.73 54.96 1s6d s ARG 4 Cb -0.07 -1.73 0.00 0.00 -1.56 0.00 0.00 34.95 31.60 1s6d s ARG 4 CO 0.44 0.41 0.00 0.41 -0.81 0.00 0.00 175.30 175.75 1s6d n GLY 5 N 0.95 0.08 3.41 8.12 0.00 -1.26 -5.13 105.19 111.36 1s6d n GLY 5 Ca -0.18 0.08 -0.33 0.00 0.00 0.00 0.00 46.02 45.59 1s6d n GLY 5 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s6d n ARG 6 N 0.00 -0.52 -1.28 1.61 3.00 -1.26 -5.06 116.66 113.14 1s6d n ARG 6 Ca 0.00 -0.11 -0.04 0.00 -0.01 0.00 0.00 57.85 57.69 1s6d n ARG 6 Cb 0.00 -1.86 0.02 0.00 0.00 0.00 0.00 32.46 30.62 1s6d n ARG 6 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 1s6d n THR 7 N -3.76 0.00 -1.83 0.55 -2.24 -1.26 -5.11 114.28 100.62 1s6d n THR 7 Ca 0.06 -0.37 -0.31 0.00 -2.27 0.00 0.00 64.05 61.16 1s6d n THR 7 Cb 0.55 -1.02 0.02 0.00 -2.10 0.00 0.00 70.33 67.78 1s6d n THR 7 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1s6d s GLU 8 N -2.66 3.51 0.77 -0.78 2.02 -1.26 -5.06 118.70 115.24 1s6d s GLU 8 Ca 0.13 0.78 -0.12 0.00 0.02 0.00 0.00 54.97 55.77 1s6d s GLU 8 Cb -0.01 -2.07 0.06 0.00 0.10 0.00 0.00 34.13 32.21 1s6d s GLU 8 CO 0.08 -0.64 1.13 -1.54 0.02 0.00 0.00 175.26 174.31 1s6d s SER 9 N -4.12 4.22 0.43 -0.19 1.04 -1.26 -5.06 113.70 108.76 1s6d s SER 9 Ca 0.55 2.06 -0.06 0.00 0.48 0.00 0.00 55.95 58.98 1s6d s SER 9 Cb -0.11 -2.55 -0.05 0.00 0.10 0.00 0.00 66.02 63.41 1s6d s SER 9 CO 0.54 -2.23 0.73 -0.83 0.98 0.00 0.00 173.24 172.43 1s6d s GLY 10 N -2.76 1.65 0.30 7.32 0.00 -1.26 -4.90 107.32 107.68 1s6d s GLY 10 Ca 0.66 -0.46 0.06 0.00 0.00 0.00 0.00 44.72 44.99 1s6d s GLY 10 CO 0.51 -0.30 1.70 0.00 0.00 0.00 0.00 173.10 175.01 1s6d h TYR 12 N 0.44 0.00 0.00 0.00 3.20 -1.93 0.02 116.97 118.70 1s6d h TYR 12 Ca 0.60 0.00 -0.21 0.00 3.14 0.00 0.00 58.73 62.27 1s6d h TYR 12 Cb 1.17 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 39.41 1s6d h TYR 12 CO -0.09 0.00 -1.26 0.37 -1.64 0.00 0.00 178.16 175.54 1s6d h GLN 13 N 0.00 0.00 -0.05 1.82 4.15 -0.74 -3.24 115.11 117.05 1s6d h GLN 13 Ca 0.14 0.00 -0.21 0.00 0.77 0.00 0.00 58.65 59.35 1s6d h GLN 13 Cb 0.59 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.30 1s6d h GLN 13 CO -0.00 0.55 -0.78 1.96 -1.93 0.00 0.00 178.83 178.62 1s6d h GLN 14 N 0.00 0.62 0.50 1.69 4.20 -0.36 -2.99 115.11 118.76 1s6d h GLN 14 Ca -0.14 -0.60 -0.02 0.00 0.06 0.00 0.00 58.65 57.96 1s6d h GLN 14 Cb 1.73 0.15 -0.02 0.00 0.30 0.00 0.00 27.48 29.64 1s6d h GLN 14 CO 0.08 1.21 -0.43 0.00 -0.67 0.00 0.00 178.83 179.02 1s6d h MET 15 N 0.25 -0.88 -0.83 1.46 -0.00 -1.20 -0.97 114.93 112.76 1s6d h MET 15 Ca -0.08 0.06 0.14 0.00 -0.00 0.00 0.00 59.70 59.82 1s6d h MET 15 Cb 1.44 0.20 -0.09 0.00 -0.00 0.00 0.00 31.60 33.15 1s6d h MET 15 CO 0.16 -0.58 0.42 1.05 -0.00 0.00 0.00 176.91 177.95 1s6d h GLU 16 N -0.91 0.60 -0.67 -0.10 4.11 -1.70 0.19 114.58 116.09 1s6d h GLU 16 Ca -0.06 -0.04 0.01 0.00 0.07 0.00 0.00 59.36 59.34 1s6d h GLU 16 Cb 0.77 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.85 1s6d h GLU 16 CO -0.02 0.39 0.45 1.49 0.07 0.00 0.00 179.01 181.40 1s6d h GLU 17 N 0.61 0.89 -0.66 1.06 4.22 -1.45 -2.95 114.58 116.30 1s6d h GLU 17 Ca 0.45 -0.05 -0.48 0.00 0.08 0.00 0.00 59.36 59.36 1s6d h GLU 17 Cb 0.62 -0.20 -0.35 0.00 0.50 0.00 0.00 28.75 29.32 1s6d h GLU 17 CO -0.35 0.59 -0.59 0.00 -2.18 0.00 0.00 179.01 176.47 1s6d n ALA 18 N -2.43 4.95 -0.32 2.92 0.00 -0.38 -5.03 120.51 120.21 1s6d n ALA 18 Ca 0.07 -3.67 0.00 0.00 0.00 0.00 0.00 53.44 49.84 1s6d n ALA 18 Cb 0.04 -0.48 0.00 0.00 0.00 0.00 0.00 19.45 19.01 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 -0.80 0.00 -0.00 0.00 0.28 0.55 -4.70 120.64 115.97 1s6d n GLU 19 Ca 0.42 0.00 -0.19 0.00 -0.16 0.00 0.00 57.16 57.23 1s6d n GLU 19 Cb 0.91 -0.32 -0.14 0.00 1.43 0.00 0.00 31.44 33.32 1s6d n GLU 19 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1s6d n MET 20 N 1.39 0.74 -0.14 3.44 0.00 -1.26 -3.83 117.12 117.46 1s6d n MET 20 Ca 0.00 0.26 0.04 0.00 0.00 0.00 0.00 57.70 58.01 1s6d n MET 20 Cb 0.15 -1.72 0.12 0.00 0.00 0.00 0.00 33.22 31.77 1s6d n MET 20 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1s6d n LEU 21 N -3.41 1.51 0.02 3.17 7.99 -1.26 -3.34 117.00 121.67 1s6d n LEU 21 Ca -0.30 -0.75 -0.20 0.00 -0.01 0.00 0.00 56.01 54.74 1s6d n LEU 21 Cb 1.05 -0.19 -0.14 0.00 -0.11 0.00 0.00 43.42 44.03 1s6d n LEU 21 CO 0.43 0.37 -0.17 0.78 -1.51 0.00 0.00 177.39 177.29 1s6d h ASN 22 N 1.61 0.38 0.42 -1.43 4.21 -1.95 -2.66 115.58 116.17 1s6d h ASN 22 Ca 0.00 -0.89 -0.02 0.00 1.21 0.00 0.00 56.30 56.60 1s6d h ASN 22 Cb 0.38 -0.12 0.00 0.00 -1.12 0.00 0.00 38.32 37.46 1s6d h ASN 22 CO 0.00 1.47 -0.20 0.45 -1.29 0.00 0.00 177.43 177.86 1s6d h HIS 23 N -0.41 -0.53 -0.84 1.19 3.86 -1.74 0.21 115.15 116.89 1s6d h HIS 23 Ca -0.22 -0.01 0.20 0.00 -1.16 0.00 0.00 60.37 59.18 1s6d h HIS 23 Cb 1.64 0.17 -0.05 0.00 1.06 0.00 0.00 27.41 30.23 1s6d h HIS 23 CO 0.17 -0.33 0.57 0.00 0.86 0.00 0.00 177.93 179.19 1s6d h GLY 25 N 0.30 -0.24 0.73 0.00 0.00 -1.11 -3.04 103.07 99.71 1s6d h GLY 25 Ca 0.42 0.12 0.11 0.00 0.00 0.00 0.00 47.33 47.98 1s6d h GLY 25 CO -0.12 -0.11 0.54 -0.33 0.00 0.00 0.00 176.54 176.52 1s6d h MET 26 N -0.25 0.71 -0.76 4.80 2.86 0.36 0.96 114.93 123.61 1s6d h MET 26 Ca -0.01 -0.04 0.08 0.00 -2.06 0.00 0.00 59.70 57.67 1s6d h MET 26 Cb 0.22 -0.16 -0.05 0.00 0.06 0.00 0.00 31.60 31.67 1s6d h MET 26 CO -0.00 0.47 0.50 -0.92 1.06 0.00 0.00 176.91 178.02 1s6d h TYR 27 N 0.73 0.79 0.16 -0.22 3.20 -1.40 -1.96 116.97 118.26 1s6d h TYR 27 Ca 0.40 0.02 -0.30 0.00 3.14 0.00 0.00 58.73 61.98 1s6d h TYR 27 Cb 0.53 -0.26 0.01 0.00 1.54 0.00 0.00 36.73 38.55 1s6d h TYR 27 CO -0.00 0.40 -1.43 -0.07 -1.64 0.00 0.00 178.16 175.41 1s6d h LEU 28 N 0.76 0.52 0.00 2.82 3.38 -0.96 -3.25 115.31 118.57 1s6d h LEU 28 Ca 0.34 -0.62 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1s6d h LEU 28 Cb 0.34 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1s6d h LEU 28 CO -0.12 1.50 0.00 0.80 0.09 0.00 0.00 178.44 180.71 1s6d n MET 29 N -3.55 0.52 0.17 1.13 1.56 0.13 -2.81 117.12 114.27 1s6d n MET 29 Ca -0.14 0.00 0.12 0.00 -0.27 0.00 0.00 57.70 57.41 1s6d n MET 29 Cb 1.05 -1.45 0.22 0.00 2.15 0.00 0.00 33.22 35.19 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 0.00 0.00 0.00 2.12 3.64 -1.40 -3.16 116.57 117.77 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 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1s6d h LYS 30 CO 0.00 0.00 0.00 -1.71 -2.27 0.00 0.00 179.45 175.47 1s6d n ASN 31 N -2.77 0.79 -0.09 4.20 5.15 -1.12 -4.62 115.26 116.80 1s6d n ASN 31 Ca 0.04 -1.08 0.07 0.00 -0.60 0.00 0.00 54.58 53.01 1s6d n ASN 31 Cb 0.50 0.00 -0.07 0.00 -0.53 0.00 0.00 39.78 39.68 1s6d n ASN 31 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1s6d n LEU 32 N -0.04 0.95 0.00 1.20 4.77 -1.17 -4.92 117.00 117.79 1s6d n LEU 32 Ca 0.00 -0.57 0.00 0.00 -0.03 0.00 0.00 56.01 55.41 1s6d n LEU 32 Cb 0.10 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 1s6d n LEU 32 CO 0.00 0.21 0.00 0.61 -1.33 0.00 0.00 177.39 176.88 1s6d n GLY 33 N 1.31 -1.34 2.68 -0.72 0.00 -1.19 -4.90 105.19 101.03 1s6d n GLY 33 Ca 0.04 0.92 -0.24 0.00 0.00 0.00 0.00 46.02 46.73 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 0.00 2.76 -1.20 1.61 2.13 -1.26 -4.69 120.64 119.98 1s6d n GLU 34 Ca 0.00 -4.41 -0.31 0.00 0.66 0.00 0.00 57.16 53.10 1s6d n GLU 34 Cb 0.00 -2.08 0.10 0.00 0.27 0.00 0.00 31.44 29.73 1s6d n GLU 34 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 1s6d s ARG 35 N -3.30 2.09 0.42 5.31 3.52 -1.26 -4.98 118.95 120.75 1s6d s ARG 35 Ca 0.46 1.26 -0.23 0.00 -0.13 0.00 0.00 55.73 57.08 1s6d s ARG 35 Cb 0.34 -1.87 -0.11 0.00 -1.56 0.00 0.00 34.95 31.74 1s6d s ARG 35 CO -0.13 -1.78 0.81 0.43 -0.81 0.00 0.00 175.30 173.81 1s6d n SER 36 N -3.55 0.30 -4.31 -2.12 7.64 -1.26 -5.02 113.62 105.30 1s6d n SER 36 Ca 0.10 0.98 -0.16 0.00 1.01 0.00 0.00 58.87 60.79 1s6d n SER 36 Cb 0.53 -1.25 -0.10 0.00 -1.01 0.00 0.00 64.21 62.38 1s6d n SER 36 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1s6d s GLN 37 N -1.84 1.36 1.04 1.43 -2.07 -1.26 -5.17 119.66 113.15 1s6d s GLN 37 Ca 0.64 -1.72 -0.14 0.00 -1.82 0.00 0.00 55.36 52.31 1s6d s GLN 37 Cb -0.58 -0.32 0.21 0.00 -1.09 0.00 0.00 33.01 31.22 1s6d s GLN 37 CO 0.57 -0.24 1.12 0.14 -1.32 0.00 0.00 175.29 175.56 1s6d s VAL 38 N -3.69 1.90 -0.20 3.63 -7.23 -1.26 -4.94 120.40 108.61 1s6d s VAL 38 Ca 0.34 0.00 -0.29 0.00 -1.81 0.00 0.00 61.98 60.22 1s6d s VAL 38 Cb 0.07 -2.58 -0.06 0.00 0.56 0.00 0.00 36.38 34.38 1s6d s VAL 38 CO 0.12 0.00 2.19 -1.54 -0.31 0.00 0.00 175.10 175.55 1s6d n SER 39 N -4.23 3.27 -4.56 4.85 3.41 -1.26 -4.89 113.62 110.22 1s6d n SER 39 Ca 0.08 0.31 -0.33 0.00 -0.26 0.00 0.00 58.87 58.67 1s6d n SER 39 Cb 0.58 -1.53 -0.04 0.00 -0.26 0.00 0.00 64.21 62.97 1s6d n SER 39 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1s6d s PRO 40 N 6.10 2.82 0.08 4.33 0.04 -1.26 -4.86 135.00 142.25 1s6d s PRO 40 Ca 1.00 -0.30 -0.16 0.00 0.04 0.00 0.00 61.00 61.58 1s6d s PRO 40 Cb -0.40 -4.94 -0.04 0.00 0.04 0.00 0.00 34.50 29.16 1s6d s PRO 40 CO 0.37 -2.94 1.28 -0.09 0.04 0.00 0.00 177.00 175.67 1s6d h ARG 41 N 11.55 -0.02 -2.12 4.56 2.43 -2.05 -3.42 114.38 125.32 1s6d h ARG 41 Ca 0.03 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 1s6d h ARG 41 Cb 1.04 0.00 -0.24 0.00 -0.42 0.00 0.00 29.97 30.35 1s6d h ARG 41 CO 1.26 -0.01 -0.27 -1.64 -1.51 0.00 0.00 179.97 177.80 1s6d s MET 42 N -4.30 0.46 0.00 0.20 -1.94 -1.26 -5.16 119.30 107.29 1s6d s MET 42 Ca -0.06 1.18 0.00 0.00 -1.71 0.00 0.00 55.69 55.10 1s6d s MET 42 Cb 0.06 0.53 0.00 0.00 2.01 0.00 0.00 34.83 37.43 1s6d s MET 42 CO 0.32 -0.29 0.00 2.89 -0.01 0.00 0.00 175.02 177.93 1s6d n ARG 43 N 5.42 0.00 -3.64 2.03 -4.01 -1.26 -5.19 116.66 110.00 1s6d n ARG 43 Ca -0.09 0.00 -0.02 0.00 -1.04 0.00 0.00 57.85 56.70 1s6d n ARG 43 Cb 0.49 0.00 -0.04 0.00 -3.04 0.00 0.00 32.46 29.88 1s6d n ARG 43 CO 0.00 0.00 0.00 -1.83 -3.04 0.00 0.00 177.63 172.76 1s6d s GLU 44 N -1.35 0.08 0.00 2.89 1.03 -1.26 -5.10 118.70 114.99 1s6d s GLU 44 Ca 0.00 0.01 0.00 0.00 0.03 0.00 0.00 54.97 55.01 1s6d s GLU 44 Cb 0.00 0.04 0.00 0.00 -0.80 0.00 0.00 34.13 33.37 1s6d s GLU 44 CO 0.00 -0.03 0.00 0.39 -1.33 0.00 0.00 175.26 174.29 1s6d n GLU 45 N 0.43 0.00 -3.92 -4.83 -0.58 -1.26 -5.19 120.64 105.29 1s6d n GLU 45 Ca 0.00 0.00 -0.23 0.00 -0.42 0.00 0.00 57.16 56.52 1s6d n GLU 45 Cb 0.58 0.00 -0.05 0.00 -0.57 0.00 0.00 31.44 31.40 1s6d n GLU 45 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1s6d s ASP 46 N 0.00 4.75 -0.04 1.62 2.15 -1.26 -5.14 116.67 118.76 1s6d s ASP 46 Ca 0.00 -0.85 -0.00 0.00 0.43 0.00 0.00 52.55 52.13 1s6d s ASP 46 Cb 0.00 -0.62 0.03 0.00 -0.30 0.00 0.00 42.92 42.03 1s6d s ASP 46 CO 0.00 -0.49 0.01 -1.00 -0.17 0.00 0.00 175.17 173.51 1s6d s HIS 47 N -2.49 0.36 0.00 -5.34 3.76 -1.26 -4.82 115.29 105.50 1s6d s HIS 47 Ca 0.42 -0.01 0.00 0.00 -0.15 0.00 0.00 55.06 55.33 1s6d s HIS 47 Cb -0.01 -0.50 0.00 0.00 1.11 0.00 0.00 32.58 33.18 1s6d s HIS 47 CO 0.24 -0.17 0.00 1.17 -0.85 0.00 0.00 174.74 175.13 1s6d n LYS 48 N 4.45 0.00 -0.04 1.40 4.81 -1.26 -4.81 118.16 122.71 1s6d n LYS 48 Ca -0.20 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.23 1s6d n LYS 48 Cb 0.50 0.00 -0.11 0.00 0.02 0.00 0.00 35.03 35.44 1s6d n LYS 48 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1s6d n GLN 49 N -2.09 1.24 0.31 1.64 6.02 -1.26 -4.12 117.38 119.12 1s6d n GLN 49 Ca 0.00 -0.06 0.20 0.00 -0.01 0.00 0.00 57.00 57.13 1s6d n GLN 49 Cb 0.00 -1.35 1.01 0.00 1.02 0.00 0.00 30.24 30.93 1s6d n GLN 49 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1s6d h LEU 50 N 0.00 0.00 0.02 1.08 3.38 -1.93 0.56 115.31 118.42 1s6d h LEU 50 Ca -0.22 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.75 1s6d h LEU 50 Cb 1.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.10 1s6d h LEU 50 CO 0.01 0.00 -0.01 0.00 0.09 0.00 0.00 178.44 178.53 1s6d n MET 53 N -1.12 0.00 0.05 0.00 0.00 0.19 -3.96 117.12 112.28 1s6d n MET 53 Ca 0.07 0.08 0.09 0.00 0.00 0.00 0.00 57.70 57.94 1s6d n MET 53 Cb 0.06 -0.61 0.39 0.00 0.00 0.00 0.00 33.22 33.06 1s6d n MET 53 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 175.97 176.91 1s6d n GLN 54 N -0.74 0.08 -0.08 2.12 -0.06 -1.23 -1.88 117.38 115.57 1s6d n GLN 54 Ca 0.00 0.29 0.11 0.00 -2.00 0.00 0.00 57.00 55.41 1s6d n GLN 54 Cb 0.00 -1.64 0.49 0.00 -4.06 0.00 0.00 30.24 25.03 1s6d n GLN 54 CO 0.00 0.00 0.00 -0.07 -0.20 0.00 0.00 177.06 176.79 1s6d h LEU 55 N 0.00 0.39 0.00 1.69 3.38 -1.58 -1.29 115.31 117.90 1s6d h LEU 55 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1s6d h LEU 55 Cb 0.32 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1s6d h LEU 55 CO 0.00 0.24 -0.14 1.17 0.09 0.00 0.00 178.44 179.80 1s6d n LYS 56 N -4.47 0.24 0.24 1.13 4.81 -0.79 -3.22 118.16 116.11 1s6d n LYS 56 Ca 0.09 0.17 0.13 0.00 -0.87 0.00 0.00 58.31 57.83 1s6d n LYS 56 Cb 0.34 -1.75 0.53 0.00 0.02 0.00 0.00 35.03 34.17 1s6d n LYS 56 CO 0.00 0.00 0.00 -0.91 1.17 0.00 0.00 177.40 177.66 1s6d h ASN 57 N 0.00 0.00 -4.34 3.14 2.35 -1.33 -3.45 115.58 111.95 1s6d h ASN 57 Ca 0.00 0.00 -0.49 0.00 -0.55 0.00 0.00 56.30 55.26 1s6d h ASN 57 Cb 0.72 0.00 0.07 0.00 0.05 0.00 0.00 38.32 39.16 1s6d h ASN 57 CO 0.00 0.12 0.38 -0.76 -1.65 0.00 0.00 177.43 175.52 1s6d s LEU 58 N -6.49 3.01 0.33 1.61 1.43 -1.10 -5.05 118.68 112.42 1s6d s LEU 58 Ca 0.01 1.12 -0.27 0.00 -1.03 0.00 0.00 54.13 53.97 1s6d s LEU 58 Cb 0.09 -3.97 -0.09 0.00 0.03 0.00 0.00 46.19 42.25 1s6d s LEU 58 CO 0.60 -1.21 1.06 -0.62 0.23 0.00 0.00 176.35 176.41 1s6d s ASP 59 N -4.32 7.06 0.28 2.29 2.15 -1.26 -4.92 116.67 117.95 1s6d s ASP 59 Ca 0.57 2.13 -0.00 0.00 0.43 0.00 0.00 52.55 55.68 1s6d s ASP 59 Cb -0.11 -2.61 0.48 0.00 -0.30 0.00 0.00 42.92 40.39 1s6d s ASP 59 CO 0.51 -0.28 1.87 -0.08 -0.17 0.00 0.00 175.17 177.02 1s6d h GLU 60 N 3.22 1.06 0.00 4.34 4.81 -1.93 0.22 114.58 126.30 1s6d h GLU 60 Ca -0.47 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 58.66 1s6d h GLU 60 Cb 1.21 -0.24 -0.00 0.00 0.63 0.00 0.00 28.75 30.35 1s6d h GLU 60 CO 0.65 0.70 -0.16 1.57 -0.73 0.00 0.00 179.01 181.03 1s6d h LYS 61 N 1.09 0.00 0.00 1.92 2.10 -1.92 -1.09 116.57 118.66 1s6d h LYS 61 Ca 0.45 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.10 1s6d h LYS 61 Cb 0.29 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.62 1s6d h LYS 61 CO -0.20 0.16 0.00 0.00 -2.00 0.00 0.00 179.45 177.41 1s6d n MET 63 N -2.61 3.25 0.00 0.00 2.81 -0.41 -1.89 117.12 118.27 1s6d n MET 63 Ca 0.04 -2.97 0.00 0.00 -1.81 0.00 0.00 57.70 52.96 1s6d n MET 63 Cb 0.44 -3.10 0.00 0.00 -0.71 0.00 0.00 33.22 29.85 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 0.20 0.10 0.00 0.13 -1.74 -3.09 132.00 127.59 1s6d h PRO 65 Ca 0.00 -0.16 -0.00 0.00 -0.87 0.00 0.00 66.00 64.96 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 0.81 -0.05 0.00 -0.23 0.00 0.00 178.00 178.53 1s6d h ALA 66 N 1.14 -0.13 -0.98 -0.56 0.00 -1.67 -3.31 119.26 113.76 1s6d h ALA 66 Ca -0.02 -0.21 0.16 0.00 0.00 0.00 0.00 54.91 54.84 1s6d h ALA 66 Cb 1.23 0.05 -0.16 0.00 0.00 0.00 0.00 17.79 18.91 1s6d h ALA 66 CO 0.10 -0.35 -0.37 -0.89 0.00 0.00 0.00 179.25 177.75 1s6d n ILE 67 N -4.95 -0.50 -0.34 0.00 5.41 -1.20 -0.31 119.36 117.47 1s6d n ILE 67 Ca -0.09 2.28 -0.09 0.00 1.00 0.00 0.00 62.75 65.86 1s6d n ILE 67 Cb 0.24 -3.03 -0.08 0.00 -0.71 0.00 0.00 39.64 36.06 1s6d n ILE 67 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 176.55 176.78 1s6d n MET 68 N -5.45 -0.35 -0.16 0.38 2.81 -1.17 -1.05 117.12 112.12 1s6d n MET 68 Ca 0.11 1.36 -0.01 0.00 -1.81 0.00 0.00 57.70 57.35 1s6d n MET 68 Cb 0.40 -2.01 0.23 0.00 -0.71 0.00 0.00 33.22 31.14 1s6d n MET 68 CO 0.00 0.00 0.00 0.52 1.51 0.00 0.00 175.97 178.00 1s6d h MET 69 N 0.00 0.89 -0.71 0.03 2.86 -0.75 -2.27 114.93 114.97 1s6d h MET 69 Ca 0.13 -0.10 0.18 0.00 -2.06 0.00 0.00 59.70 57.84 1s6d h MET 69 Cb 0.33 -0.17 -0.04 0.00 0.06 0.00 0.00 31.60 31.77 1s6d h MET 69 CO -0.75 0.67 0.49 1.98 1.06 0.00 0.00 176.91 180.37 1s6d h MET 70 N 0.89 0.18 -0.65 1.72 -1.53 0.49 0.51 114.93 116.54 1s6d h MET 70 Ca 0.22 -0.01 0.00 0.00 -3.44 0.00 0.00 59.70 56.47 1s6d h MET 70 Cb 0.06 -0.04 0.00 0.00 -0.55 0.00 0.00 31.60 31.07 1s6d h MET 70 CO -0.03 0.12 0.00 1.28 0.14 0.00 0.00 176.91 178.41 1s6d n LEU 71 N -4.41 4.71 0.00 3.39 4.77 -0.76 -4.22 117.00 120.49 1s6d n LEU 71 Ca 0.14 -2.38 0.00 0.00 -0.03 0.00 0.00 56.01 53.74 1s6d n LEU 71 Cb 0.66 -0.62 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 1s6d n LEU 71 CO 0.35 0.61 0.31 0.59 -1.33 0.00 0.00 177.39 177.92 1s6d n ASN 72 N 0.66 0.81 -4.40 -1.43 4.13 0.16 -4.50 115.26 110.69 1s6d n ASN 72 Ca 0.23 -1.35 -0.28 0.00 1.68 0.00 0.00 54.58 54.86 1s6d n ASN 72 Cb 0.96 0.00 0.15 0.00 -1.54 0.00 0.00 39.78 39.35 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 -0.35 1.14 0.00 3.52 2.02 -1.13 -4.89 118.70 119.00 1s6d s GLU 73 Ca 0.00 -0.55 0.00 0.00 0.02 0.00 0.00 54.97 54.44 1s6d s GLU 73 Cb 0.00 -2.01 0.00 0.00 0.10 0.00 0.00 34.13 32.22 1s6d s GLU 73 CO 0.00 -2.00 0.11 -0.35 0.02 0.00 0.00 175.26 173.04 1s6d n PRO 74 N -3.42 0.22 -0.09 0.39 -0.04 -1.26 -1.70 135.00 129.10 1s6d n PRO 74 Ca 0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.60 1s6d n PRO 74 Cb 0.60 -1.11 0.00 0.00 -0.04 0.00 0.00 33.50 32.95 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 0.37 0.00 -2.94 0.54 1.56 -1.26 -4.97 117.12 110.42 1s6d n MET 75 Ca 0.00 -0.59 -0.10 0.00 -0.27 0.00 0.00 57.70 56.75 1s6d n MET 75 Cb 0.06 -0.50 -0.02 0.00 2.15 0.00 0.00 33.22 34.91 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 -0.94 0.00 1.12 0.52 -0.69 -4.88 118.94 114.08 1s6d s TRP 76 Ca 0.00 -0.99 0.00 0.00 0.02 0.00 0.00 56.10 55.13 1s6d s TRP 76 Cb 0.00 0.00 0.00 0.00 -1.15 0.00 0.00 33.47 32.32 1s6d s TRP 76 CO 0.00 -1.16 0.00 -0.89 0.02 0.00 0.00 176.95 174.92 1s6d n ILE 77 N 2.98 0.00 -0.13 2.03 -0.00 -1.26 -3.41 119.36 119.56 1s6d n ILE 77 Ca 0.21 0.00 -0.21 0.00 -0.00 0.00 0.00 62.75 62.75 1s6d n ILE 77 Cb 0.54 -0.58 -0.12 0.00 -0.00 0.00 0.00 39.64 39.48 1s6d n ILE 77 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.55 177.09 1s6d n ARG 78 N -0.85 0.64 -0.01 0.38 5.12 -1.26 -4.23 116.66 116.45 1s6d n ARG 78 Ca 0.00 0.17 0.23 0.00 -1.93 0.00 0.00 57.85 56.32 1s6d n ARG 78 Cb 0.00 -1.51 0.72 0.00 -1.16 0.00 0.00 32.46 30.51 1s6d n ARG 78 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1s6d h MET 79 N -0.21 0.00 0.00 5.56 -0.00 -1.94 0.10 114.93 118.44 1s6d h MET 79 Ca -0.61 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.09 1s6d h MET 79 Cb 1.84 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 33.44 1s6d h MET 79 CO -0.16 0.00 0.00 0.07 -0.00 0.00 0.00 176.91 176.82 1s6d h ARG 80 N 0.00 0.00 -0.52 -0.10 -0.00 -1.85 -3.25 114.38 108.66 1s6d h ARG 80 Ca 0.28 0.00 0.15 0.00 -0.00 0.00 0.00 59.98 60.41 1s6d h ARG 80 Cb 1.26 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 31.21 1s6d h ARG 80 CO -0.00 0.00 0.43 0.22 -0.00 0.00 0.00 179.97 180.62 1s6d h ASP 81 N 0.00 0.00 0.10 0.08 3.58 -1.15 0.35 116.42 119.39 1s6d h ASP 81 Ca 0.00 0.00 -0.37 0.00 0.42 0.00 0.00 57.03 57.08 1s6d h ASP 81 Cb 0.55 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.57 1s6d h ASP 81 CO 0.00 0.00 -2.12 0.00 -2.88 0.00 0.00 179.24 174.24 1s6d n GLN 82 N -4.08 0.73 0.24 0.28 3.00 -1.23 -4.04 117.38 112.28 1s6d n GLN 82 Ca 0.10 0.23 0.16 0.00 -0.01 0.00 0.00 57.00 57.48 1s6d n GLN 82 Cb 0.64 -1.66 0.64 0.00 0.00 0.00 0.00 30.24 29.86 1s6d n GLN 82 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.06 176.67 1s6d h VAL 83 N 0.05 0.00 -0.20 5.09 -1.51 -1.38 -2.99 116.25 115.31 1s6d h VAL 83 Ca -0.46 -0.42 -0.03 0.00 -1.23 0.00 0.00 66.70 64.56 1s6d h VAL 83 Cb 2.00 1.34 -0.01 0.00 -2.13 0.00 0.00 31.29 32.49 1s6d h VAL 83 CO 0.04 0.00 0.02 0.24 -1.23 0.00 0.00 177.57 176.64 1s6d h MET 84 N 0.00 0.34 0.00 5.19 2.86 -0.48 0.40 114.93 123.24 1s6d h MET 84 Ca 0.00 -0.10 0.00 0.00 -2.06 0.00 0.00 59.70 57.54 1s6d h MET 84 Cb 0.46 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.08 1s6d h MET 84 CO 0.00 0.52 0.00 0.45 1.06 0.00 0.00 176.91 178.94 1s6d n SER 85 N -4.72 0.00 -0.06 1.22 2.88 -1.13 -2.75 113.62 109.06 1s6d n SER 85 Ca -0.04 -1.66 -0.13 0.00 -1.33 0.00 0.00 58.87 55.71 1s6d n SER 85 Cb 0.21 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.63 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 -0.61 0.28 0.00 -1.46 2.81 -0.75 -4.56 117.12 112.82 1s6d n MET 86 Ca 0.05 0.12 0.00 0.00 -1.81 0.00 0.00 57.70 56.06 1s6d n MET 86 Cb 0.02 -0.97 0.00 0.00 -0.71 0.00 0.00 33.22 31.57 1s6d n MET 86 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1s6d n ALA 87 N -3.66 2.33 -0.03 3.04 0.00 0.13 -2.57 120.51 119.77 1s6d n ALA 87 Ca -0.23 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.27 1s6d n ALA 87 Cb 0.61 -1.00 -0.15 0.00 0.00 0.00 0.00 19.45 18.91 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 0.21 0.00 -0.05 0.00 1.44 -1.11 -4.40 115.22 111.30 1s6d n HIS 88 Ca 0.00 0.00 -0.05 0.00 -2.01 0.00 0.00 57.72 55.66 1s6d n HIS 88 Cb 0.28 -0.53 -0.09 0.00 0.12 0.00 0.00 29.99 29.78 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 -2.27 2.33 -0.03 4.39 5.03 -1.13 -4.00 115.26 119.59 1s6d n ASN 89 Ca -0.09 0.00 -0.09 0.00 0.87 0.00 0.00 54.58 55.27 1s6d n ASN 89 Cb 0.62 0.78 -0.03 0.00 -1.02 0.00 0.00 39.78 40.13 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 -0.31 3.41 3.38 -1.76 0.32 115.31 120.23 1s6d h LEU 90 Ca -0.29 0.04 -0.20 0.00 0.09 0.00 0.00 57.88 57.53 1s6d h LEU 90 Cb 1.65 0.09 -0.00 0.00 0.09 0.00 0.00 40.66 42.48 1s6d h LEU 90 CO 0.02 -0.04 -0.81 1.55 0.09 0.00 0.00 178.44 179.25 1s6d h PRO 91 N 0.02 0.39 -0.66 1.13 0.13 -1.82 -3.16 132.00 128.04 1s6d h PRO 91 Ca 0.08 -0.36 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1s6d h PRO 91 Cb 0.11 0.09 -0.03 0.00 0.13 0.00 0.00 31.00 31.30 1s6d h PRO 91 CO -0.16 1.02 0.42 0.82 -0.23 0.00 0.00 178.00 179.88 1s6d h ILE 92 N 0.25 1.18 0.00 -3.56 2.04 -1.62 0.15 117.51 115.95 1s6d h ILE 92 Ca -0.05 -0.34 -0.01 0.00 1.00 0.00 0.00 64.86 65.47 1s6d h ILE 92 Cb 1.41 0.23 -0.00 0.00 -0.74 0.00 0.00 36.82 37.72 1s6d h ILE 92 CO 0.14 0.17 -0.02 -0.33 0.00 0.00 0.00 178.15 178.11 1s6d h GLU 93 N 0.89 0.00 -0.01 2.37 5.08 -0.43 0.86 114.58 123.35 1s6d h GLU 93 Ca 0.24 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 1s6d h GLU 93 Cb -0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.17 1s6d h GLU 93 CO -0.05 0.02 -0.31 0.00 -1.00 0.00 0.00 179.01 177.68 1s6d n ASN 95 N -0.50 -2.93 0.08 0.00 4.05 0.30 -4.98 115.26 111.28 1s6d n ASN 95 Ca 0.12 0.04 -0.04 0.00 0.45 0.00 0.00 54.58 55.15 1s6d n ASN 95 Cb 0.38 -0.89 -0.02 0.00 1.23 0.00 0.00 39.78 40.48 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 -0.20 -3.30 1.20 3.38 -0.89 -3.38 115.31 112.12 1s6d h LEU 96 Ca -0.04 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1s6d h LEU 96 Cb 0.27 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1s6d h LEU 96 CO 0.06 -0.00 0.00 1.15 0.09 0.00 0.00 178.44 179.73 1s6d n MET 97 N -3.38 3.20 -0.17 1.13 0.00 -1.03 -4.62 117.12 112.26 1s6d n MET 97 Ca -0.03 -2.89 -0.04 0.00 0.00 0.00 0.00 57.70 54.74 1s6d n MET 97 Cb 0.09 -1.90 -0.04 0.00 0.00 0.00 0.00 33.22 31.37 1s6d n MET 97 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 1s6d n SER 98 N -0.35 -0.43 -2.72 3.17 2.88 -1.26 -4.16 113.62 110.75 1s6d n SER 98 Ca 0.22 1.23 -0.08 0.00 -1.33 0.00 0.00 58.87 58.91 1s6d n SER 98 Cb 0.93 -0.35 0.10 0.00 -0.75 0.00 0.00 64.21 64.14 1s6d n SER 98 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 1s6d n GLN 99 N -3.90 1.05 0.00 -1.46 0.00 -1.26 -4.99 117.38 106.82 1s6d n GLN 99 Ca 0.01 -1.85 -0.00 0.00 -0.00 0.00 0.00 57.00 55.15 1s6d n GLN 99 Cb 0.10 -0.67 -0.00 0.00 0.00 0.00 0.00 30.24 29.67 1s6d n GLN 99 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.06 176.06 1s6d h PRO 100 N 2.63 -0.02 -6.22 3.69 0.13 -1.88 -3.44 132.00 126.89 1s6d h PRO 100 Ca -0.17 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.40 1s6d h PRO 100 Cb 1.17 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.27 1s6d h PRO 100 CO 0.06 -0.01 0.79 0.00 -0.23 0.00 0.00 178.00 178.61 1s6d n GLN 102 N 5.89 0.89 0.00 0.00 6.02 -1.26 -5.13 117.38 123.80 1s6d n GLN 102 Ca 0.12 -3.34 0.00 0.00 -0.01 0.00 0.00 57.00 53.77 1s6d n GLN 102 Cb 0.46 0.89 0.00 0.00 1.02 0.00 0.00 30.24 32.60 1s6d n GLN 102 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.06 174.72