#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 0.00 -3.10 0.54 4.11 -1.26 -5.11 117.16 112.34 1s6d n TYR 2 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 57.90 57.90 1s6d n TYR 2 Cb 0.00 0.18 -0.00 0.00 -0.00 0.00 0.00 39.34 39.52 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 2.39 -0.72 2.54 -7.48 0.00 -1.26 -5.01 105.19 95.65 1s6d n GLY 3 Ca 0.00 0.10 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.02 0.81 0.00 1.61 6.06 -1.26 -5.09 118.95 120.07 1s6d s ARG 4 Ca -0.00 -1.60 0.00 0.00 -2.50 0.00 0.00 55.73 51.63 1s6d s ARG 4 Cb 0.00 -1.64 0.00 0.00 0.06 0.00 0.00 34.95 33.37 1s6d s ARG 4 CO 0.13 -1.21 0.00 0.41 -2.50 0.00 0.00 175.30 172.13 1s6d n GLY 5 N 3.80 3.78 3.20 8.12 0.00 -1.26 -5.12 105.19 117.71 1s6d n GLY 5 Ca 0.12 -1.67 -0.29 0.00 0.00 0.00 0.00 46.02 44.17 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 -1.80 -4.68 -0.17 1.61 1.74 -1.26 -5.06 116.66 107.04 1s6d n ARG 6 Ca 0.00 -1.39 0.00 0.00 -0.77 0.00 0.00 57.85 55.69 1s6d n ARG 6 Cb 0.00 -1.89 0.00 0.00 -1.02 0.00 0.00 32.46 29.55 1s6d n ARG 6 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1s6d n THR 7 N -5.73 0.00 0.00 0.55 -2.24 -1.26 -5.03 114.28 100.56 1s6d n THR 7 Ca 0.13 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 1s6d n THR 7 Cb 0.58 -1.64 0.00 0.00 -2.10 0.00 0.00 70.33 67.17 1s6d n THR 7 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1s6d n GLU 8 N -0.47 0.00 -0.43 -0.78 2.13 -1.26 -5.15 120.64 114.68 1s6d n GLU 8 Ca 0.00 0.00 -0.24 0.00 0.66 0.00 0.00 57.16 57.58 1s6d n GLU 8 Cb 0.00 0.00 0.21 0.00 0.27 0.00 0.00 31.44 31.92 1s6d n GLU 8 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 1s6d n SER 9 N -0.29 -3.31 0.00 4.31 7.64 -1.26 -5.05 113.62 115.66 1s6d n SER 9 Ca 0.00 -0.53 0.00 0.00 1.01 0.00 0.00 58.87 59.35 1s6d n SER 9 Cb 0.00 -0.89 0.00 0.00 -1.01 0.00 0.00 64.21 62.31 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 2.15 0.69 0.40 0.23 0.00 -1.26 -4.62 105.19 102.78 1s6d n GLY 10 Ca 0.08 -0.01 -0.09 0.00 0.00 0.00 0.00 46.02 45.99 1s6d n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s6d h TYR 12 N -0.26 -0.65 -0.65 0.00 3.20 -1.91 0.41 116.97 117.10 1s6d h TYR 12 Ca 0.16 0.09 0.07 0.00 3.14 0.00 0.00 58.73 62.19 1s6d h TYR 12 Cb 0.57 0.43 -0.06 0.00 1.54 0.00 0.00 36.73 39.20 1s6d h TYR 12 CO -0.70 -0.40 0.33 0.37 -1.64 0.00 0.00 178.16 176.12 1s6d h GLN 13 N -0.01 0.58 0.00 1.82 4.15 -0.86 0.18 115.11 120.97 1s6d h GLN 13 Ca 0.40 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.79 1s6d h GLN 13 Cb 0.65 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.20 1s6d h GLN 13 CO -0.93 0.38 0.00 1.96 -1.93 0.00 0.00 178.83 178.31 1s6d h GLN 14 N 0.60 0.00 0.28 1.69 4.20 0.46 -3.25 115.11 119.08 1s6d h GLN 14 Ca 0.30 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 59.00 1s6d h GLN 14 Cb 0.26 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.04 1s6d h GLN 14 CO -0.22 0.00 -0.13 1.98 -0.67 0.00 0.00 178.83 179.79 1s6d h MET 15 N 0.00 -0.36 -0.99 1.46 4.05 0.26 -2.71 114.93 116.64 1s6d h MET 15 Ca 0.00 0.02 0.21 0.00 -0.28 0.00 0.00 59.70 59.65 1s6d h MET 15 Cb 0.52 0.08 -0.09 0.00 -0.80 0.00 0.00 31.60 31.31 1s6d h MET 15 CO 0.00 -0.24 0.62 1.05 0.23 0.00 0.00 176.91 178.57 1s6d h GLU 16 N -1.04 0.57 0.00 0.39 4.11 -1.41 0.58 114.58 117.78 1s6d h GLU 16 Ca -0.04 -0.03 -0.06 0.00 0.07 0.00 0.00 59.36 59.30 1s6d h GLU 16 Cb 0.29 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1s6d h GLU 16 CO 0.06 0.38 -0.29 1.49 0.07 0.00 0.00 179.01 180.72 1s6d h GLU 17 N 0.59 0.00 -1.81 1.06 4.81 -1.64 -3.22 114.58 114.38 1s6d h GLU 17 Ca 0.56 0.00 -0.49 0.00 -0.13 0.00 0.00 59.36 59.30 1s6d h GLU 17 Cb 1.10 0.00 -0.41 0.00 0.63 0.00 0.00 28.75 30.08 1s6d h GLU 17 CO -0.31 0.29 -1.05 0.00 -0.73 0.00 0.00 179.01 177.21 1s6d n ALA 18 N -2.39 3.09 -1.50 2.92 0.00 0.77 -5.06 120.51 118.33 1s6d n ALA 18 Ca -0.02 -3.68 -0.26 0.00 0.00 0.00 0.00 53.44 49.48 1s6d n ALA 18 Cb 0.37 -0.86 -0.20 0.00 0.00 0.00 0.00 19.45 18.76 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 0.04 0.04 0.10 0.00 0.28 0.17 -4.69 120.64 116.58 1s6d n GLU 19 Ca 0.24 -0.04 0.02 0.00 -0.16 0.00 0.00 57.16 57.22 1s6d n GLU 19 Cb 0.64 -1.27 -0.01 0.00 1.43 0.00 0.00 31.44 32.23 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 11.42 0.00 -2.10 3.44 -0.00 -1.88 -3.35 114.93 122.45 1s6d h MET 20 Ca 0.01 0.00 -0.57 0.00 -0.00 0.00 0.00 59.70 59.14 1s6d h MET 20 Cb 1.17 0.00 -0.41 0.00 -0.00 0.00 0.00 31.60 32.36 1s6d h MET 20 CO 1.54 0.39 -0.86 1.28 -0.00 0.00 0.00 176.91 179.27 1s6d n LEU 21 N -3.08 2.10 0.00 -0.10 4.77 -1.26 -4.23 117.00 115.21 1s6d n LEU 21 Ca -0.02 -5.12 0.00 0.00 -0.03 0.00 0.00 56.01 50.84 1s6d n LEU 21 Cb 0.76 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.84 1s6d n LEU 21 CO 0.41 2.10 -0.17 -3.20 -1.33 0.00 0.00 177.39 175.21 1s6d n ASN 22 N 0.95 0.90 -0.01 -1.43 2.85 -1.26 -4.68 115.26 112.59 1s6d n ASN 22 Ca 0.26 0.00 -0.13 0.00 -0.11 0.00 0.00 54.58 54.60 1s6d n ASN 22 Cb 0.48 0.00 -0.10 0.00 1.24 0.00 0.00 39.78 41.40 1s6d n ASN 22 CO 0.00 0.00 0.00 0.45 -2.11 0.00 0.00 177.26 175.60 1s6d h HIS 23 N 0.00 -0.05 0.00 1.20 3.86 -1.86 -2.00 115.15 116.31 1s6d h HIS 23 Ca 0.00 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1s6d h HIS 23 Cb 0.33 0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.82 1s6d h HIS 23 CO 0.00 0.51 0.17 0.00 0.86 0.00 0.00 177.93 179.47 1s6d h GLY 25 N 0.00 -0.85 -0.22 0.00 0.00 -1.63 -2.95 103.07 97.42 1s6d h GLY 25 Ca 0.00 0.41 0.16 0.00 0.00 0.00 0.00 47.33 47.90 1s6d h GLY 25 CO 0.00 -0.30 0.04 1.98 0.00 0.00 0.00 176.54 178.26 1s6d h MET 26 N -0.75 0.13 -0.97 4.80 4.05 -1.47 0.70 114.93 121.42 1s6d h MET 26 Ca -0.03 -0.01 0.26 0.00 -0.28 0.00 0.00 59.70 59.64 1s6d h MET 26 Cb 0.67 -0.03 -0.06 0.00 -0.80 0.00 0.00 31.60 31.38 1s6d h MET 26 CO -0.06 0.09 0.66 -0.92 0.23 0.00 0.00 176.91 176.92 1s6d h TYR 27 N 0.14 0.31 0.00 1.39 3.20 -1.64 0.67 116.97 121.03 1s6d h TYR 27 Ca 0.39 0.01 -0.13 0.00 3.14 0.00 0.00 58.73 62.14 1s6d h TYR 27 Cb 0.67 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.83 1s6d h TYR 27 CO -0.37 0.05 -1.83 1.28 -1.64 0.00 0.00 178.16 175.65 1s6d n LEU 28 N -4.41 0.30 -0.93 2.82 4.77 0.12 -4.08 117.00 115.59 1s6d n LEU 28 Ca 0.21 0.13 0.07 0.00 -0.03 0.00 0.00 56.01 56.39 1s6d n LEU 28 Cb 0.91 0.13 0.22 0.00 -2.33 0.00 0.00 43.42 42.34 1s6d n LEU 28 CO 0.34 0.13 0.68 0.80 -1.33 0.00 0.00 177.39 178.00 1s6d n MET 29 N -2.57 2.25 0.07 3.23 1.56 0.20 -3.98 117.12 117.89 1s6d n MET 29 Ca -0.12 -1.75 0.04 0.00 -0.27 0.00 0.00 57.70 55.60 1s6d n MET 29 Cb 0.77 -1.44 -0.04 0.00 2.15 0.00 0.00 33.22 34.66 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 2.77 0.00 0.00 2.12 1.79 0.06 -3.23 116.57 120.07 1s6d h LYS 30 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1s6d h LYS 30 Cb 0.72 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.37 1s6d h LYS 30 CO 0.03 0.22 -1.08 0.09 -1.08 0.00 0.00 179.45 177.64 1s6d n ASN 31 N -2.88 0.91 0.22 0.86 3.02 -1.26 -4.18 115.26 111.95 1s6d n ASN 31 Ca -0.05 -0.91 0.12 0.00 -0.03 0.00 0.00 54.58 53.70 1s6d n ASN 31 Cb 0.74 1.08 0.21 0.00 -0.61 0.00 0.00 39.78 41.19 1s6d n ASN 31 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1s6d h LEU 32 N 0.00 0.00 0.00 3.41 3.38 -1.70 -3.50 115.31 116.91 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 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1s6d h LEU 32 CO 0.00 0.05 0.00 0.61 0.09 0.00 0.00 178.44 179.19 1s6d n GLY 33 N 1.00 3.38 2.80 0.83 0.00 -1.22 -5.10 105.19 106.88 1s6d n GLY 33 Ca 0.03 -1.90 -0.15 0.00 0.00 0.00 0.00 46.02 44.00 1s6d n GLY 33 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1s6d s GLU 34 N -3.15 0.25 0.61 1.61 2.12 -1.26 -4.72 118.70 114.16 1s6d s GLU 34 Ca 0.00 0.27 -0.10 0.00 0.36 0.00 0.00 54.97 55.50 1s6d s GLU 34 Cb 0.00 -0.95 -0.02 0.00 0.26 0.00 0.00 34.13 33.42 1s6d s GLU 34 CO 0.00 -0.69 0.99 -0.98 -0.54 0.00 0.00 175.26 174.05 1s6d s ARG 35 N 2.39 3.36 0.00 4.30 1.70 -1.26 -5.08 118.95 124.37 1s6d s ARG 35 Ca 0.09 0.52 0.00 0.00 -0.47 0.00 0.00 55.73 55.87 1s6d s ARG 35 Cb -0.15 -2.13 0.00 0.00 -0.57 0.00 0.00 34.95 32.09 1s6d s ARG 35 CO -0.15 -0.63 0.00 0.45 -1.08 0.00 0.00 175.30 173.89 1s6d n SER 36 N -2.71 0.00 -2.69 -2.89 2.88 -1.26 -5.11 113.62 101.84 1s6d n SER 36 Ca 0.05 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.54 1s6d n SER 36 Cb 0.55 0.00 0.08 0.00 -0.75 0.00 0.00 64.21 64.09 1s6d n SER 36 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 1s6d n GLN 37 N -0.32 0.31 -3.61 -1.46 7.27 -1.26 -5.15 117.38 113.15 1s6d n GLN 37 Ca 0.00 -0.97 -0.08 0.00 0.07 0.00 0.00 57.00 56.02 1s6d n GLN 37 Cb 0.00 -0.51 -0.06 0.00 2.41 0.00 0.00 30.24 32.08 1s6d n GLN 37 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 1s6d s VAL 38 N 0.23 0.00 -0.93 1.69 0.11 -1.26 -5.09 120.40 115.16 1s6d s VAL 38 Ca 0.26 0.00 -0.25 0.00 -2.93 0.00 0.00 61.98 59.06 1s6d s VAL 38 Cb 0.23 -1.00 -0.22 0.00 -1.53 0.00 0.00 36.38 33.86 1s6d s VAL 38 CO -0.13 0.00 2.42 -1.20 -3.33 0.00 0.00 175.10 172.85 1s6d n SER 39 N 1.12 -0.01 -4.57 3.54 7.64 -1.26 -4.77 113.62 115.31 1s6d n SER 39 Ca -0.09 0.05 -0.39 0.00 1.01 0.00 0.00 58.87 59.45 1s6d n SER 39 Cb 0.57 -0.79 -0.02 0.00 -1.01 0.00 0.00 64.21 62.96 1s6d n SER 39 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1s6d s PRO 40 N 8.02 3.55 0.00 1.43 0.04 -1.26 -4.84 135.00 141.94 1s6d s PRO 40 Ca 1.25 -1.48 0.00 0.00 0.04 0.00 0.00 61.00 60.81 1s6d s PRO 40 Cb -1.10 -5.41 0.00 0.00 0.04 0.00 0.00 34.50 28.03 1s6d s PRO 40 CO 0.47 -2.58 0.91 -2.13 0.04 0.00 0.00 177.00 173.71 1s6d n ARG 41 N 8.57 0.00 -3.83 4.56 3.00 -1.26 -4.77 116.66 122.92 1s6d n ARG 41 Ca 0.43 0.68 -0.12 0.00 -0.00 0.00 0.00 57.85 58.84 1s6d n ARG 41 Cb 0.48 -1.41 -0.13 0.00 0.00 0.00 0.00 32.46 31.40 1s6d n ARG 41 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.63 175.99 1s6d s MET 42 N -2.62 0.12 -0.47 -0.14 -1.94 -1.26 -5.10 119.30 107.89 1s6d s MET 42 Ca 0.00 0.16 0.06 0.00 -1.71 0.00 0.00 55.69 54.20 1s6d s MET 42 Cb 0.00 0.05 0.18 0.00 2.01 0.00 0.00 34.83 37.07 1s6d s MET 42 CO 0.00 -0.02 0.60 1.03 -0.01 0.00 0.00 175.02 176.62 1s6d s ARG 43 N 0.12 0.96 -0.51 2.03 0.52 -1.26 -5.07 118.95 115.73 1s6d s ARG 43 Ca -0.01 -1.12 0.04 0.00 -0.52 0.00 0.00 55.73 54.12 1s6d s ARG 43 Cb -0.01 -0.36 0.16 0.00 0.52 0.00 0.00 34.95 35.26 1s6d s ARG 43 CO -0.00 -1.31 0.37 -2.00 0.02 0.00 0.00 175.30 172.38 1s6d s GLU 44 N 0.93 1.49 0.22 3.54 2.12 -1.26 -5.10 118.70 120.63 1s6d s GLU 44 Ca 0.27 -2.49 0.08 0.00 0.36 0.00 0.00 54.97 53.19 1s6d s GLU 44 Cb -0.02 -2.26 -0.05 0.00 0.26 0.00 0.00 34.13 32.07 1s6d s GLU 44 CO -0.08 -1.31 -0.14 -1.83 -0.54 0.00 0.00 175.26 171.36 1s6d s GLU 45 N -0.37 1.37 -0.36 4.30 1.03 -1.26 -5.12 118.70 118.29 1s6d s GLU 45 Ca 0.27 -1.62 0.07 0.00 0.03 0.00 0.00 54.97 53.72 1s6d s GLU 45 Cb -0.05 -1.16 0.19 0.00 -0.80 0.00 0.00 34.13 32.31 1s6d s GLU 45 CO -0.14 0.18 0.62 0.34 -1.33 0.00 0.00 175.26 174.93 1s6d s ASP 46 N -3.34 -1.55 0.57 0.83 -1.08 -1.26 -5.08 116.67 105.76 1s6d s ASP 46 Ca 0.24 -0.36 -0.07 0.00 -0.52 0.00 0.00 52.55 51.84 1s6d s ASP 46 Cb -0.01 1.97 -0.01 0.00 -1.46 0.00 0.00 42.92 43.41 1s6d s ASP 46 CO 0.08 -0.22 0.90 -1.00 0.52 0.00 0.00 175.17 175.44 1s6d s HIS 47 N 2.27 3.37 0.00 -5.34 3.76 -1.26 -4.87 115.29 113.22 1s6d s HIS 47 Ca 0.14 0.77 0.00 0.00 -0.15 0.00 0.00 55.06 55.82 1s6d s HIS 47 Cb -0.06 -2.65 0.00 0.00 1.11 0.00 0.00 32.58 30.98 1s6d s HIS 47 CO -0.15 -0.69 0.00 1.17 -0.85 0.00 0.00 174.74 174.21 1s6d n LYS 48 N -2.54 0.00 -0.00 1.40 4.81 -1.26 -4.69 118.16 115.87 1s6d n LYS 48 Ca 0.04 0.00 0.04 0.00 -0.87 0.00 0.00 58.31 57.52 1s6d n LYS 48 Cb 0.57 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.56 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 0.00 3.21 0.26 1.64 6.02 -1.26 -4.30 117.38 122.95 1s6d n GLN 49 Ca 0.00 -0.02 0.17 0.00 -0.01 0.00 0.00 57.00 57.14 1s6d n GLN 49 Cb 0.00 -0.98 0.74 0.00 1.02 0.00 0.00 30.24 31.01 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 -1.94 -0.38 115.31 117.47 1s6d h LEU 50 Ca 0.00 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.80 1s6d h LEU 50 Cb 0.25 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1s6d h LEU 50 CO 0.00 0.00 -0.93 0.00 0.09 0.00 0.00 178.44 177.60 1s6d h MET 53 N 0.00 -0.02 0.00 0.00 -1.53 -1.17 -3.11 114.93 109.10 1s6d h MET 53 Ca 0.00 0.00 -0.03 0.00 -3.44 0.00 0.00 59.70 56.23 1s6d h MET 53 Cb 0.10 0.00 -0.00 0.00 -0.55 0.00 0.00 31.60 31.15 1s6d h MET 53 CO 0.00 -0.01 -0.15 1.96 0.14 0.00 0.00 176.91 178.85 1s6d h GLN 54 N -0.03 0.00 -0.00 0.39 4.20 -1.64 -2.23 115.11 115.80 1s6d h GLN 54 Ca -0.00 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 1s6d h GLN 54 Cb 0.01 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.79 1s6d h GLN 54 CO 0.00 0.15 0.00 -0.07 -0.67 0.00 0.00 178.83 178.24 1s6d h LEU 55 N 0.00 0.00 -0.29 1.46 3.38 -1.24 0.31 115.31 118.94 1s6d h LEU 55 Ca -0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1s6d h LEU 55 Cb 0.59 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1s6d h LEU 55 CO 0.02 0.00 0.00 1.17 0.09 0.00 0.00 178.44 179.72 1s6d n LYS 56 N -4.54 1.19 -0.00 1.13 4.81 -0.84 -3.04 118.16 116.87 1s6d n LYS 56 Ca -0.03 -0.28 0.07 0.00 -0.87 0.00 0.00 58.31 57.19 1s6d n LYS 56 Cb 0.09 -1.37 -0.10 0.00 0.02 0.00 0.00 35.03 33.67 1s6d n LYS 56 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1s6d n ASN 57 N -0.55 1.51 -4.43 3.14 3.02 0.10 -5.02 115.26 113.02 1s6d n ASN 57 Ca 0.17 -0.24 -0.29 0.00 -0.03 0.00 0.00 54.58 54.19 1s6d n ASN 57 Cb 0.15 1.44 0.16 0.00 -0.61 0.00 0.00 39.78 40.92 1s6d n ASN 57 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1s6d s LEU 58 N -3.55 1.99 0.22 3.41 1.43 -0.60 -5.01 118.68 116.58 1s6d s LEU 58 Ca -0.02 0.69 -0.30 0.00 -1.03 0.00 0.00 54.13 53.48 1s6d s LEU 58 Cb 0.09 -2.84 -0.09 0.00 0.03 0.00 0.00 46.19 43.38 1s6d s LEU 58 CO 0.56 -2.85 1.18 -0.62 0.23 0.00 0.00 176.35 174.85 1s6d s ASP 59 N -4.29 7.12 0.33 2.29 -1.08 -1.26 -4.89 116.67 114.89 1s6d s ASP 59 Ca 0.68 2.27 0.24 0.00 -0.52 0.00 0.00 52.55 55.22 1s6d s ASP 59 Cb -0.10 -2.62 1.19 0.00 -1.46 0.00 0.00 42.92 39.93 1s6d s ASP 59 CO 0.53 -0.32 1.73 -0.08 0.52 0.00 0.00 175.17 177.56 1s6d h GLU 60 N 4.72 0.00 0.00 4.34 4.81 -1.95 0.27 114.58 126.78 1s6d h GLU 60 Ca -0.45 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 1s6d h GLU 60 Cb 1.21 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.59 1s6d h GLU 60 CO 0.72 0.00 -1.08 0.36 -0.73 0.00 0.00 179.01 178.28 1s6d n LYS 61 N -2.33 0.09 0.00 1.92 2.85 -1.26 -3.98 118.16 115.44 1s6d n LYS 61 Ca -0.00 -0.02 0.12 0.00 -1.05 0.00 0.00 58.31 57.36 1s6d n LYS 61 Cb 0.12 -1.51 0.27 0.00 -0.65 0.00 0.00 35.03 33.26 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 -1.05 2.79 0.11 0.00 2.81 -0.82 -1.93 117.12 119.02 1s6d n MET 63 Ca 0.09 -1.74 0.00 0.00 -1.81 0.00 0.00 57.70 54.23 1s6d n MET 63 Cb 0.35 -2.31 0.00 0.00 -0.71 0.00 0.00 33.22 30.54 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 0.21 -0.01 0.00 0.13 -1.79 -3.25 132.00 127.29 1s6d h PRO 65 Ca 0.00 -0.25 -0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1s6d h PRO 65 Cb 0.00 0.08 -0.00 0.00 0.13 0.00 0.00 31.00 31.21 1s6d h PRO 65 CO 0.00 1.00 -0.00 0.00 -0.23 0.00 0.00 178.00 178.77 1s6d h ALA 66 N 0.91 0.01 -1.00 -0.56 0.00 -1.72 -3.08 119.26 113.82 1s6d h ALA 66 Ca -0.05 -0.19 0.38 0.00 0.00 0.00 0.00 54.91 55.05 1s6d h ALA 66 Cb 1.58 -0.00 -0.18 0.00 0.00 0.00 0.00 17.79 19.18 1s6d h ALA 66 CO 0.14 -0.30 0.42 0.82 0.00 0.00 0.00 179.25 180.34 1s6d h ILE 67 N -0.34 0.00 0.51 0.00 1.08 -1.70 0.45 117.51 117.51 1s6d h ILE 67 Ca 0.00 -0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.45 1s6d h ILE 67 Cb 0.37 -0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 34.11 1s6d h ILE 67 CO 0.00 0.00 -0.42 0.24 -0.69 0.00 0.00 178.15 177.29 1s6d h MET 68 N 0.00 -0.86 -0.18 2.37 2.86 -1.62 -1.96 114.93 115.54 1s6d h MET 68 Ca 0.79 0.06 0.05 0.00 -2.06 0.00 0.00 59.70 58.54 1s6d h MET 68 Cb 2.01 0.20 -0.01 0.00 0.06 0.00 0.00 31.60 33.86 1s6d h MET 68 CO -0.81 -0.58 0.18 0.52 1.06 0.00 0.00 176.91 177.29 1s6d h MET 69 N -0.90 0.00 -0.53 1.72 2.86 -0.28 -1.09 114.93 116.71 1s6d h MET 69 Ca -0.07 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.55 1s6d h MET 69 Cb 0.75 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.39 1s6d h MET 69 CO -0.00 0.00 0.25 1.98 1.06 0.00 0.00 176.91 180.20 1s6d h MET 70 N 0.00 0.75 -0.66 1.72 -1.53 -0.01 0.28 114.93 115.48 1s6d h MET 70 Ca 0.09 -0.09 0.00 0.00 -3.44 0.00 0.00 59.70 56.25 1s6d h MET 70 Cb 0.45 -0.14 0.00 0.00 -0.55 0.00 0.00 31.60 31.35 1s6d h MET 70 CO -0.00 0.59 0.00 1.28 0.14 0.00 0.00 176.91 178.91 1s6d n LEU 71 N -4.37 4.68 -0.00 3.39 4.77 -0.44 -4.08 117.00 120.95 1s6d n LEU 71 Ca 0.05 -2.40 0.00 0.00 -0.03 0.00 0.00 56.01 53.62 1s6d n LEU 71 Cb 0.13 -0.57 -0.00 0.00 -2.33 0.00 0.00 43.42 40.65 1s6d n LEU 71 CO 0.37 0.83 0.13 0.59 -1.33 0.00 0.00 177.39 177.99 1s6d n ASN 72 N 1.17 0.52 -3.49 -1.43 3.02 -0.10 -4.53 115.26 110.42 1s6d n ASN 72 Ca 0.26 -0.76 -0.27 0.00 -0.03 0.00 0.00 54.58 53.78 1s6d n ASN 72 Cb 0.86 0.49 0.25 0.00 -0.61 0.00 0.00 39.78 40.78 1s6d n ASN 72 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1s6d n GLU 73 N -0.49 -3.93 -0.25 3.52 1.02 -0.11 -4.75 120.64 115.65 1s6d n GLU 73 Ca 0.00 -1.16 0.00 0.00 -0.02 0.00 0.00 57.16 55.98 1s6d n GLU 73 Cb 0.00 -1.83 0.00 0.00 -0.02 0.00 0.00 31.44 29.59 1s6d n GLU 73 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1s6d n PRO 74 N -4.63 0.62 -0.70 3.49 -0.04 -1.26 -2.24 135.00 130.24 1s6d n PRO 74 Ca 0.10 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.53 1s6d n PRO 74 Cb 0.53 -1.19 -0.03 0.00 -0.04 0.00 0.00 33.50 32.77 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 1.50 0.00 -3.29 0.54 1.56 -1.26 -5.05 117.12 111.12 1s6d n MET 75 Ca 0.00 -0.46 -0.11 0.00 -0.27 0.00 0.00 57.70 56.86 1s6d n MET 75 Cb 0.31 0.28 -0.05 0.00 2.15 0.00 0.00 33.22 35.91 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 -0.78 0.00 1.12 0.52 -0.95 -4.92 118.94 113.93 1s6d s TRP 76 Ca 0.00 -0.51 0.00 0.00 0.02 0.00 0.00 56.10 55.61 1s6d s TRP 76 Cb 0.00 -0.15 0.00 0.00 -1.15 0.00 0.00 33.47 32.17 1s6d s TRP 76 CO 0.00 -1.05 0.00 -0.89 0.02 0.00 0.00 176.95 175.03 1s6d n ILE 77 N 4.20 0.00 1.08 2.03 2.08 -1.26 -4.18 119.36 123.31 1s6d n ILE 77 Ca 0.12 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.43 1s6d n ILE 77 Cb 0.49 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.38 1s6d n ILE 77 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 1s6d n ARG 78 N 0.00 0.83 -0.06 0.38 1.74 -1.26 -2.97 116.66 115.32 1s6d n ARG 78 Ca 0.00 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 57.01 1s6d n ARG 78 Cb 0.00 -1.29 -0.08 0.00 -1.02 0.00 0.00 32.46 30.07 1s6d n ARG 78 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1s6d n MET 79 N -0.09 1.49 0.32 5.56 0.00 -1.26 -4.47 117.12 118.67 1s6d n MET 79 Ca 0.00 0.03 0.21 0.00 0.00 0.00 0.00 57.70 57.94 1s6d n MET 79 Cb 0.15 -1.27 1.11 0.00 0.00 0.00 0.00 33.22 33.20 1s6d n MET 79 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 175.97 176.04 1s6d h ARG 80 N 0.00 0.00 -1.59 3.17 0.11 -1.84 -2.77 114.38 111.46 1s6d h ARG 80 Ca -0.29 0.00 0.49 0.00 0.10 0.00 0.00 59.98 60.28 1s6d h ARG 80 Cb 1.58 0.00 -0.11 0.00 1.11 0.00 0.00 29.97 32.55 1s6d h ARG 80 CO -0.01 0.00 1.09 0.22 0.10 0.00 0.00 179.97 181.37 1s6d h ASP 81 N 0.00 0.12 0.04 0.08 1.82 -1.78 0.80 116.42 117.50 1s6d h ASP 81 Ca -0.00 0.08 -0.16 0.00 -0.39 0.00 0.00 57.03 56.56 1s6d h ASP 81 Cb 0.09 0.07 -0.01 0.00 0.68 0.00 0.00 39.33 40.17 1s6d h ASP 81 CO 0.00 -0.11 -0.80 -0.61 -1.61 0.00 0.00 179.24 176.11 1s6d h GLN 82 N 0.03 0.09 0.00 0.28 5.75 -1.83 -3.32 115.11 116.11 1s6d h GLN 82 Ca 0.86 -0.15 0.00 0.00 -0.15 0.00 0.00 58.65 59.21 1s6d h GLN 82 Cb 3.09 0.06 0.00 0.00 1.07 0.00 0.00 27.48 31.69 1s6d h GLN 82 CO -0.24 1.07 0.00 1.33 -2.65 0.00 0.00 178.83 178.35 1s6d n VAL 83 N -4.34 1.77 0.10 2.39 0.24 0.57 -2.85 118.33 116.21 1s6d n VAL 83 Ca -0.21 0.51 -0.08 0.00 -2.04 0.00 0.00 64.34 62.52 1s6d n VAL 83 Cb 0.68 -1.49 -0.05 0.00 -1.47 0.00 0.00 33.84 31.51 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 -0.32 0.00 7.34 2.86 0.36 0.42 114.93 125.59 1s6d h MET 84 Ca 0.00 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1s6d h MET 84 Cb 0.03 0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.76 1s6d h MET 84 CO 0.00 -0.06 0.00 0.45 1.06 0.00 0.00 176.91 178.36 1s6d n SER 85 N -4.99 0.00 -0.08 1.22 2.88 -1.13 -2.11 113.62 109.40 1s6d n SER 85 Ca -0.06 0.28 -0.18 0.00 -1.33 0.00 0.00 58.87 57.58 1s6d n SER 85 Cb 0.21 -0.38 -0.13 0.00 -0.75 0.00 0.00 64.21 63.16 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 -1.38 0.69 -0.55 -1.46 2.81 -1.11 -4.20 117.12 111.93 1s6d n MET 86 Ca 0.04 0.17 -0.06 0.00 -1.81 0.00 0.00 57.70 56.04 1s6d n MET 86 Cb 0.11 -1.59 0.13 0.00 -0.71 0.00 0.00 33.22 31.16 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 -3.09 3.73 -0.08 3.04 0.00 0.14 -2.62 120.51 121.65 1s6d n ALA 87 Ca -0.39 -1.26 -0.08 0.00 0.00 0.00 0.00 53.44 51.72 1s6d n ALA 87 Cb 1.03 -1.17 -0.11 0.00 0.00 0.00 0.00 19.45 19.21 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 -0.09 0.00 -0.01 0.00 1.44 -0.97 -4.40 115.22 111.19 1s6d n HIS 88 Ca 0.24 0.00 0.05 0.00 -2.01 0.00 0.00 57.72 56.00 1s6d n HIS 88 Cb 0.95 -0.71 -0.09 0.00 0.12 0.00 0.00 29.99 30.26 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 -2.63 2.23 -0.02 4.39 5.03 -1.23 -4.13 115.26 118.89 1s6d n ASN 89 Ca -0.25 0.00 -0.11 0.00 0.87 0.00 0.00 54.58 55.09 1s6d n ASN 89 Cb 0.95 1.47 -0.05 0.00 -1.02 0.00 0.00 39.78 41.13 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 0.16 -0.43 3.41 3.38 -1.75 0.59 115.31 120.66 1s6d h LEU 90 Ca -0.03 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1s6d h LEU 90 Cb 0.68 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1s6d h LEU 90 CO 0.00 0.16 0.00 -0.81 0.09 0.00 0.00 178.44 177.88 1s6d n PRO 91 N -4.97 0.23 -0.04 1.13 -0.04 -1.26 -2.27 135.00 127.78 1s6d n PRO 91 Ca -0.05 0.34 -0.22 0.00 -0.04 0.00 0.00 63.50 63.54 1s6d n PRO 91 Cb 0.05 -1.86 -0.13 0.00 -0.04 0.00 0.00 33.50 31.52 1s6d n PRO 91 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1s6d n ILE 92 N -2.28 1.68 0.25 0.52 5.41 -1.01 0.66 119.36 124.60 1s6d n ILE 92 Ca 0.03 -0.46 0.10 0.00 1.00 0.00 0.00 62.75 63.43 1s6d n ILE 92 Cb 0.32 -1.81 0.68 0.00 -0.71 0.00 0.00 39.64 38.11 1s6d n ILE 92 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 1s6d h GLU 93 N -0.29 0.00 0.00 0.38 4.39 0.17 0.25 114.58 119.48 1s6d h GLU 93 Ca -0.43 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.27 1s6d h GLU 93 Cb 1.80 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.45 1s6d h GLU 93 CO -0.03 0.12 -0.24 0.00 -1.16 0.00 0.00 179.01 177.70 1s6d n ASN 95 N -1.85 -1.31 -0.04 0.00 4.05 0.89 -4.99 115.26 112.00 1s6d n ASN 95 Ca 0.05 0.00 -0.01 0.00 0.45 0.00 0.00 54.58 55.07 1s6d n ASN 95 Cb 0.39 -0.43 -0.00 0.00 1.23 0.00 0.00 39.78 40.96 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 0.00 -3.15 1.20 3.38 0.06 -3.41 115.31 113.39 1s6d h LEU 96 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1s6d h LEU 96 Cb 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1s6d h LEU 96 CO 0.00 0.45 0.00 1.15 0.09 0.00 0.00 178.44 180.13 1s6d n MET 97 N -4.04 2.82 0.00 1.13 0.00 0.89 -4.64 117.12 113.28 1s6d n MET 97 Ca -0.02 -2.62 0.00 0.00 0.00 0.00 0.00 57.70 55.06 1s6d n MET 97 Cb 0.08 -1.68 0.00 0.00 0.00 0.00 0.00 33.22 31.62 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 -0.34 0.00 -2.69 3.17 2.88 -1.25 -4.10 113.62 111.30 1s6d n SER 98 Ca 0.18 0.55 -0.08 0.00 -1.33 0.00 0.00 58.87 58.19 1s6d n SER 98 Cb 0.76 -0.22 0.08 0.00 -0.75 0.00 0.00 64.21 64.08 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 -2.06 1.19 0.00 -1.46 7.27 -1.26 -4.96 117.38 116.10 1s6d n GLN 99 Ca 0.00 -2.49 0.00 0.00 0.07 0.00 0.00 57.00 54.58 1s6d n GLN 99 Cb 0.00 -0.61 0.00 0.00 2.41 0.00 0.00 30.24 32.04 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 -0.39 0.00 -0.26 3.69 -0.04 -1.26 -4.93 135.00 131.81 1s6d n PRO 100 Ca 0.02 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.27 1s6d n PRO 100 Cb 0.84 -0.16 0.20 0.00 -0.04 0.00 0.00 33.50 34.34 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 -4.49 0.83 0.00 0.00 1.13 -1.26 -5.12 117.38 108.48 1s6d n GLN 102 Ca 0.10 -3.00 0.01 0.00 -1.94 0.00 0.00 57.00 52.17 1s6d n GLN 102 Cb 0.41 1.14 0.01 0.00 0.11 0.00 0.00 30.24 31.91 1s6d n GLN 102 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62