#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 1.73 -0.97 0.54 4.11 -1.26 -4.41 117.16 116.90 1s6d n TYR 2 Ca 0.00 -0.72 0.12 0.00 -0.00 0.00 0.00 57.90 57.31 1s6d n TYR 2 Cb 0.00 -0.41 -0.04 0.00 -0.00 0.00 0.00 39.34 38.89 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 0.57 -2.35 1.80 -7.48 0.00 -1.26 -4.83 105.19 91.64 1s6d n GLY 3 Ca 0.26 -1.24 0.02 0.00 0.00 0.00 0.00 46.02 45.06 1s6d n GLY 3 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1s6d n ARG 4 N -3.66 0.70 0.00 1.61 0.63 -1.26 -5.09 116.66 109.59 1s6d n ARG 4 Ca -0.02 -2.57 0.00 0.00 -0.92 0.00 0.00 57.85 54.33 1s6d n ARG 4 Cb 0.45 -0.63 0.00 0.00 0.45 0.00 0.00 32.46 32.73 1s6d n ARG 4 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1s6d n GLY 5 N 0.04 -0.46 3.64 5.14 0.00 -1.26 -5.15 105.19 107.15 1s6d n GLY 5 Ca 0.09 -0.31 -0.02 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.91 0.04 0.13 1.61 6.06 -1.26 -5.20 118.95 119.42 1s6d s ARG 6 Ca 0.00 0.00 0.01 0.00 -2.50 0.00 0.00 55.73 53.25 1s6d s ARG 6 Cb 0.00 0.02 -0.01 0.00 0.06 0.00 0.00 34.95 35.02 1s6d s ARG 6 CO 0.00 -0.01 0.13 0.25 -2.50 0.00 0.00 175.30 173.17 1s6d n THR 7 N 0.39 0.00 0.00 4.11 -2.24 -1.26 -5.18 114.28 110.10 1s6d n THR 7 Ca 0.01 -0.80 0.00 0.00 -2.27 0.00 0.00 64.05 60.99 1s6d n THR 7 Cb 0.58 0.43 0.00 0.00 -2.10 0.00 0.00 70.33 69.25 1s6d n THR 7 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1s6d n GLU 8 N -0.23 2.38 0.00 -0.78 0.28 -1.26 -5.06 120.64 115.97 1s6d n GLU 8 Ca 0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.02 1s6d n GLU 8 Cb 0.22 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.09 1s6d n GLU 8 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 1s6d n SER 9 N 0.00 -1.46 0.00 -1.84 3.41 -1.26 -5.00 113.62 107.47 1s6d n SER 9 Ca 0.00 -0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.57 1s6d n SER 9 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 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 0.24 0.44 0.20 5.00 0.00 -1.26 -4.80 105.19 105.01 1s6d n GLY 10 Ca 0.00 -1.49 0.12 0.00 0.00 0.00 0.00 46.02 44.65 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 0.00 -0.85 0.00 0.00 3.20 -1.93 0.22 116.97 117.61 1s6d h TYR 12 Ca 0.00 0.08 -0.05 0.00 3.14 0.00 0.00 58.73 61.90 1s6d h TYR 12 Cb 0.20 0.47 -0.01 0.00 1.54 0.00 0.00 36.73 38.94 1s6d h TYR 12 CO 0.00 -0.37 -0.22 0.37 -1.64 0.00 0.00 178.16 176.30 1s6d h GLN 13 N -0.11 0.00 0.00 1.82 5.75 -1.81 -2.57 115.11 118.19 1s6d h GLN 13 Ca 0.27 0.00 -0.09 0.00 -0.15 0.00 0.00 58.65 58.68 1s6d h GLN 13 Cb 0.56 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.09 1s6d h GLN 13 CO -0.74 0.22 -0.44 1.96 -2.65 0.00 0.00 178.83 177.18 1s6d h GLN 14 N 0.00 0.00 0.58 1.69 7.50 -0.81 -3.00 115.11 121.07 1s6d h GLN 14 Ca -0.00 0.00 -0.03 0.00 0.50 0.00 0.00 58.65 59.12 1s6d h GLN 14 Cb 0.79 0.00 0.01 0.00 0.05 0.00 0.00 27.48 28.33 1s6d h GLN 14 CO 0.03 0.44 -0.28 0.52 -1.50 0.00 0.00 178.83 178.04 1s6d h MET 15 N 0.00 -0.74 -0.83 1.46 2.86 -0.31 0.16 114.93 117.53 1s6d h MET 15 Ca -0.00 0.05 0.11 0.00 -2.06 0.00 0.00 59.70 57.80 1s6d h MET 15 Cb 0.85 0.17 -0.06 0.00 0.06 0.00 0.00 31.60 32.62 1s6d h MET 15 CO 0.06 -0.50 0.54 1.05 1.06 0.00 0.00 176.91 179.12 1s6d h GLU 16 N -0.80 0.70 0.00 1.72 4.11 -1.68 0.42 114.58 119.04 1s6d h GLU 16 Ca -0.08 -0.04 -0.01 0.00 0.07 0.00 0.00 59.36 59.29 1s6d h GLU 16 Cb 0.59 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.68 1s6d h GLU 16 CO 0.13 0.46 -0.07 1.49 0.07 0.00 0.00 179.01 181.09 1s6d h GLU 17 N 0.72 0.00 -1.22 1.06 4.81 -1.38 -3.19 114.58 115.38 1s6d h GLU 17 Ca 0.40 0.00 -0.42 0.00 -0.13 0.00 0.00 59.36 59.20 1s6d h GLU 17 Cb 0.54 0.00 -0.40 0.00 0.63 0.00 0.00 28.75 29.52 1s6d h GLU 17 CO -0.16 0.07 -1.09 0.00 -0.73 0.00 0.00 179.01 177.10 1s6d n ALA 18 N -2.14 3.70 -1.50 2.92 0.00 0.55 -5.06 120.51 118.97 1s6d n ALA 18 Ca 0.00 -3.45 -0.22 0.00 0.00 0.00 0.00 53.44 49.78 1s6d n ALA 18 Cb 0.33 -0.85 -0.21 0.00 0.00 0.00 0.00 19.45 18.72 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 -0.13 0.05 -0.04 0.00 0.28 0.13 -4.67 120.64 116.26 1s6d n GLU 19 Ca 0.17 -0.07 0.04 0.00 -0.16 0.00 0.00 57.16 57.14 1s6d n GLU 19 Cb 0.76 -1.24 -0.16 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 n MET 20 N 5.88 0.67 -0.87 3.44 0.00 -1.26 -3.98 117.12 121.00 1s6d n MET 20 Ca 0.66 -0.12 -0.07 0.00 0.00 0.00 0.00 57.70 58.17 1s6d n MET 20 Cb 0.16 -1.53 0.21 0.00 0.00 0.00 0.00 33.22 32.05 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 -2.44 4.76 -0.09 3.17 4.32 -1.26 -4.06 117.00 121.39 1s6d n LEU 21 Ca -0.13 -3.64 -0.20 0.00 -0.02 0.00 0.00 56.01 52.02 1s6d n LEU 21 Cb 0.77 -0.68 -0.12 0.00 -1.62 0.00 0.00 43.42 41.77 1s6d n LEU 21 CO 0.45 1.14 -1.18 -3.20 -1.22 0.00 0.00 177.39 173.37 1s6d n ASN 22 N -1.02 2.02 0.12 -1.43 2.85 -1.26 -3.22 115.26 113.32 1s6d n ASN 22 Ca 0.38 0.00 -0.12 0.00 -0.11 0.00 0.00 54.58 54.73 1s6d n ASN 22 Cb 1.18 -0.58 -0.08 0.00 1.24 0.00 0.00 39.78 41.54 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 -0.06 -0.31 0.00 1.20 3.86 -1.80 0.27 115.15 118.32 1s6d h HIS 23 Ca -0.54 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 58.67 1s6d h HIS 23 Cb 1.91 0.10 0.00 0.00 1.06 0.00 0.00 27.41 30.48 1s6d h HIS 23 CO 0.04 0.06 0.00 0.00 0.86 0.00 0.00 177.93 178.89 1s6d h GLY 25 N 0.56 0.26 1.00 0.00 0.00 -1.32 -3.30 103.07 100.27 1s6d h GLY 25 Ca 0.00 -0.44 0.05 0.00 0.00 0.00 0.00 47.33 46.95 1s6d h GLY 25 CO 0.00 0.39 0.53 1.98 0.00 0.00 0.00 176.54 179.44 1s6d h MET 26 N -0.38 0.91 -0.62 4.80 -1.53 -0.06 0.36 114.93 118.41 1s6d h MET 26 Ca -0.04 -0.05 0.09 0.00 -3.44 0.00 0.00 59.70 56.26 1s6d h MET 26 Cb 1.05 -0.20 -0.04 0.00 -0.55 0.00 0.00 31.60 31.85 1s6d h MET 26 CO 0.06 0.60 0.42 -0.92 0.14 0.00 0.00 176.91 177.21 1s6d h TYR 27 N 0.93 0.50 0.06 1.39 5.03 -1.61 0.02 116.97 123.29 1s6d h TYR 27 Ca 0.34 0.01 -0.32 0.00 2.58 0.00 0.00 58.73 61.34 1s6d h TYR 27 Cb 0.15 -0.16 -0.03 0.00 1.55 0.00 0.00 36.73 38.24 1s6d h TYR 27 CO -0.00 0.24 -1.76 -0.07 -1.32 0.00 0.00 178.16 175.25 1s6d h LEU 28 N 0.47 0.20 0.00 2.82 3.38 -0.73 -3.29 115.31 118.16 1s6d h LEU 28 Ca 0.28 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1s6d h LEU 28 Cb 0.49 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1s6d h LEU 28 CO -0.08 1.37 0.00 0.80 0.09 0.00 0.00 178.44 180.61 1s6d n MET 29 N -3.27 0.51 0.21 1.13 1.56 0.96 -1.92 117.12 116.30 1s6d n MET 29 Ca -0.22 0.03 0.06 0.00 -0.27 0.00 0.00 57.70 57.31 1s6d n MET 29 Cb 1.05 -1.50 0.45 0.00 2.15 0.00 0.00 33.22 35.37 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 0.00 0.00 0.00 2.12 1.79 -1.10 -2.37 116.57 117.01 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 0.05 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.70 1s6d h LYS 30 CO 0.00 0.30 0.00 0.09 -1.08 0.00 0.00 179.45 178.76 1s6d n ASN 31 N -3.81 0.52 -0.11 0.86 4.13 -1.10 -4.62 115.26 111.14 1s6d n ASN 31 Ca -0.01 -1.24 0.04 0.00 1.68 0.00 0.00 54.58 55.05 1s6d n ASN 31 Cb 0.39 0.00 -0.02 0.00 -1.54 0.00 0.00 39.78 38.61 1s6d n ASN 31 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1s6d n LEU 32 N -0.12 0.78 0.00 3.41 4.77 -0.81 -4.94 117.00 120.10 1s6d n LEU 32 Ca 0.00 -0.65 0.00 0.00 -0.03 0.00 0.00 56.01 55.33 1s6d n LEU 32 Cb 0.39 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 1s6d n LEU 32 CO 0.00 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 176.84 1s6d n GLY 33 N 0.99 -1.25 0.24 -0.72 0.00 -0.90 -4.79 105.19 98.75 1s6d n GLY 33 Ca 0.03 0.82 0.08 0.00 0.00 0.00 0.00 46.02 46.95 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 1.07 -3.07 1.61 2.13 -1.15 -4.61 120.64 116.62 1s6d n GLU 34 Ca 0.00 -2.39 -0.40 0.00 0.66 0.00 0.00 57.16 55.03 1s6d n GLU 34 Cb 0.00 -1.31 -0.05 0.00 0.27 0.00 0.00 31.44 30.35 1s6d n GLU 34 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1s6d s ARG 35 N -2.38 4.26 -0.30 5.31 0.52 -1.26 -5.01 118.95 120.09 1s6d s ARG 35 Ca 0.28 0.71 -0.15 0.00 -0.52 0.00 0.00 55.73 56.05 1s6d s ARG 35 Cb 0.25 -3.56 0.16 0.00 0.52 0.00 0.00 34.95 32.32 1s6d s ARG 35 CO 0.01 -0.21 0.97 -1.54 0.02 0.00 0.00 175.30 174.55 1s6d s SER 36 N 1.13 -0.59 -0.90 0.23 1.04 -1.26 -5.09 113.70 108.26 1s6d s SER 36 Ca 0.31 0.82 -0.01 0.00 0.48 0.00 0.00 55.95 57.56 1s6d s SER 36 Cb -0.16 1.61 0.25 0.00 0.10 0.00 0.00 66.02 67.83 1s6d s SER 36 CO 0.11 -0.12 0.98 0.00 0.98 0.00 0.00 173.24 175.20 1s6d n GLN 37 N 4.80 3.15 -3.93 4.02 1.13 -1.26 -5.01 117.38 120.28 1s6d n GLN 37 Ca -0.11 -4.55 -0.09 0.00 -1.94 0.00 0.00 57.00 50.31 1s6d n GLN 37 Cb 0.53 -2.41 -0.06 0.00 0.11 0.00 0.00 30.24 28.41 1s6d n GLN 37 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1s6d s VAL 38 N -2.00 0.04 0.66 5.09 0.11 -1.26 -5.15 120.40 117.88 1s6d s VAL 38 Ca 0.32 -1.27 -0.17 0.00 -2.93 0.00 0.00 61.98 57.92 1s6d s VAL 38 Cb 0.01 -1.89 -0.03 0.00 -1.53 0.00 0.00 36.38 32.95 1s6d s VAL 38 CO -0.04 -0.18 0.89 -1.20 -3.33 0.00 0.00 175.10 171.24 1s6d n SER 39 N -0.28 0.33 -4.58 3.54 7.64 -1.26 -4.83 113.62 114.17 1s6d n SER 39 Ca -0.06 0.72 -0.37 0.00 1.01 0.00 0.00 58.87 60.17 1s6d n SER 39 Cb 0.63 -1.36 -0.03 0.00 -1.01 0.00 0.00 64.21 62.44 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 -2.94 3.33 0.00 1.43 0.04 -1.26 -4.83 135.00 130.78 1s6d s PRO 40 Ca 0.74 -1.57 0.00 0.00 0.04 0.00 0.00 61.00 60.21 1s6d s PRO 40 Cb -0.38 -5.40 0.00 0.00 0.04 0.00 0.00 34.50 28.76 1s6d s PRO 40 CO 0.49 -2.97 0.86 -2.13 0.04 0.00 0.00 177.00 173.30 1s6d n ARG 41 N 8.40 0.00 -3.75 4.56 0.63 -1.26 -4.77 116.66 120.46 1s6d n ARG 41 Ca 0.46 0.75 -0.13 0.00 -0.92 0.00 0.00 57.85 58.01 1s6d n ARG 41 Cb 0.47 -1.36 -0.10 0.00 0.45 0.00 0.00 32.46 31.91 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 -2.46 0.43 0.49 -0.14 -1.94 -1.26 -5.17 119.30 109.26 1s6d s MET 42 Ca 0.00 0.43 -0.00 0.00 -1.71 0.00 0.00 55.69 54.41 1s6d s MET 42 Cb 0.00 0.21 0.01 0.00 2.01 0.00 0.00 34.83 37.06 1s6d s MET 42 CO 0.00 -0.06 0.72 1.03 -0.01 0.00 0.00 175.02 176.70 1s6d s ARG 43 N 0.05 2.91 0.11 2.03 3.00 -1.26 -5.13 118.95 120.66 1s6d s ARG 43 Ca -0.01 -0.51 0.05 0.00 0.00 0.00 0.00 55.73 55.26 1s6d s ARG 43 Cb -0.03 -2.51 -0.04 0.00 0.00 0.00 0.00 34.95 32.38 1s6d s ARG 43 CO 0.01 -0.43 -0.13 -1.21 0.00 0.00 0.00 175.30 173.53 1s6d s GLU 44 N -4.66 0.94 0.59 3.54 2.02 -1.26 -5.15 118.70 114.72 1s6d s GLU 44 Ca 0.51 -1.17 -0.08 0.00 0.02 0.00 0.00 54.97 54.26 1s6d s GLU 44 Cb -0.10 -0.78 -0.01 0.00 0.10 0.00 0.00 34.13 33.34 1s6d s GLU 44 CO 0.39 0.15 0.94 -1.21 0.02 0.00 0.00 175.26 175.54 1s6d s GLU 45 N -2.55 3.16 0.15 1.61 2.02 -1.26 -5.00 118.70 116.84 1s6d s GLU 45 Ca 0.06 0.26 -0.32 0.00 0.02 0.00 0.00 54.97 54.99 1s6d s GLU 45 Cb -0.05 -2.21 -0.17 0.00 0.10 0.00 0.00 34.13 31.80 1s6d s GLU 45 CO 0.02 -0.63 0.91 -0.40 0.02 0.00 0.00 175.26 175.18 1s6d n ASP 46 N -2.62 0.17 -3.34 -0.19 5.75 -1.26 -4.98 116.55 110.07 1s6d n ASP 46 Ca 0.04 1.15 -0.13 0.00 -0.01 0.00 0.00 54.79 55.84 1s6d n ASP 46 Cb 0.56 -1.07 0.07 0.00 -1.03 0.00 0.00 41.12 39.66 1s6d n ASP 46 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 1s6d n HIS 47 N 0.88 -3.24 0.00 2.11 8.25 -1.26 -4.96 115.22 117.00 1s6d n HIS 47 Ca 0.17 -0.92 0.00 0.00 -0.26 0.00 0.00 57.72 56.71 1s6d n HIS 47 Cb 0.22 -0.41 0.00 0.00 1.12 0.00 0.00 29.99 30.91 1s6d n HIS 47 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1s6d n LYS 48 N -2.06 0.00 -0.04 -0.41 4.76 -1.26 -4.91 118.16 114.23 1s6d n LYS 48 Ca 0.09 0.00 0.02 0.00 -2.87 0.00 0.00 58.31 55.55 1s6d n LYS 48 Cb 0.32 0.00 0.04 0.00 -1.84 0.00 0.00 35.03 33.55 1s6d n LYS 48 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1s6d n GLN 49 N 0.00 1.94 0.20 1.97 6.02 -1.26 -4.53 117.38 121.72 1s6d n GLN 49 Ca 0.00 -1.40 0.14 0.00 -0.01 0.00 0.00 57.00 55.73 1s6d n GLN 49 Cb 0.00 -1.09 0.66 0.00 1.02 0.00 0.00 30.24 30.84 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 0.70 0.00 0.07 1.08 3.38 -1.92 -1.30 115.31 117.31 1s6d h LEU 50 Ca 0.00 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.76 1s6d h LEU 50 Cb 0.45 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1s6d h LEU 50 CO 0.00 0.00 -1.09 0.00 0.09 0.00 0.00 178.44 177.44 1s6d h MET 53 N 0.00 -0.03 0.00 0.00 -1.53 -1.36 -3.13 114.93 108.88 1s6d h MET 53 Ca 0.00 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.26 1s6d h MET 53 Cb 0.06 0.01 0.00 0.00 -0.55 0.00 0.00 31.60 31.12 1s6d h MET 53 CO 0.00 -0.02 0.00 1.96 0.14 0.00 0.00 176.91 178.99 1s6d h GLN 54 N -0.08 0.00 -0.28 0.39 7.50 -1.65 -2.45 115.11 118.54 1s6d h GLN 54 Ca -0.00 0.00 -0.06 0.00 0.50 0.00 0.00 58.65 59.09 1s6d h GLN 54 Cb 0.03 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 27.54 1s6d h GLN 54 CO 0.01 0.00 -0.08 -0.07 -1.50 0.00 0.00 178.83 177.19 1s6d h LEU 55 N 0.00 0.43 -0.54 1.46 3.38 -1.27 -0.36 115.31 118.41 1s6d h LEU 55 Ca 0.00 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 57.81 1s6d h LEU 55 Cb 0.49 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1s6d h LEU 55 CO 0.00 0.56 -0.29 0.50 0.09 0.00 0.00 178.44 179.29 1s6d h LYS 56 N 0.43 0.00 0.00 1.13 3.64 -1.38 -3.01 116.57 117.38 1s6d h LYS 56 Ca 0.09 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 1s6d h LYS 56 Cb 0.40 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.22 1s6d h LYS 56 CO 0.02 0.29 -0.05 -0.91 -2.27 0.00 0.00 179.45 176.53 1s6d h ASN 57 N 0.00 0.00 -2.87 4.20 2.35 -0.98 -3.43 115.58 114.85 1s6d h ASN 57 Ca -0.00 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.56 1s6d h ASN 57 Cb 1.02 0.00 0.07 0.00 0.05 0.00 0.00 38.32 39.47 1s6d h ASN 57 CO 0.04 0.05 0.17 0.18 -1.65 0.00 0.00 177.43 176.23 1s6d n LEU 58 N -3.69 0.00 -4.95 1.61 4.77 -1.09 -5.10 117.00 108.56 1s6d n LEU 58 Ca -0.02 -0.64 -0.24 0.00 -0.03 0.00 0.00 56.01 55.07 1s6d n LEU 58 Cb 0.15 -0.43 -0.02 0.00 -2.33 0.00 0.00 43.42 40.79 1s6d n LEU 58 CO 0.28 -0.90 0.01 -1.81 -1.33 0.00 0.00 177.39 173.64 1s6d s ASP 59 N -3.08 6.34 0.36 -1.43 1.11 -1.26 -4.99 116.67 113.73 1s6d s ASP 59 Ca 0.32 0.26 0.05 0.00 0.18 0.00 0.00 52.55 53.36 1s6d s ASP 59 Cb -0.01 -1.95 0.70 0.00 1.07 0.00 0.00 42.92 42.73 1s6d s ASP 59 CO 0.23 -0.08 1.96 -0.08 1.18 0.00 0.00 175.17 178.37 1s6d h GLU 60 N 1.53 0.57 0.00 8.23 4.81 -1.93 0.21 114.58 128.00 1s6d h GLU 60 Ca -0.50 -0.08 -0.08 0.00 -0.13 0.00 0.00 59.36 58.58 1s6d h GLU 60 Cb 1.21 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.47 1s6d h GLU 60 CO 0.65 0.48 -0.36 0.87 -0.73 0.00 0.00 179.01 179.92 1s6d h LYS 61 N 0.56 0.00 -0.46 1.92 1.57 -1.94 -2.65 116.57 115.57 1s6d h LYS 61 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1s6d h LYS 61 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.45 1s6d h LYS 61 CO -0.01 0.36 0.00 0.00 -0.57 0.00 0.00 179.45 179.23 1s6d n MET 63 N 0.33 3.66 0.00 0.00 2.81 -0.44 -4.04 117.12 119.44 1s6d n MET 63 Ca 0.10 -4.62 0.00 0.00 -1.81 0.00 0.00 57.70 51.37 1s6d n MET 63 Cb 0.37 -2.29 0.00 0.00 -0.71 0.00 0.00 33.22 30.59 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 0.29 -0.13 0.00 0.13 -1.83 -3.27 132.00 127.20 1s6d h PRO 65 Ca 0.00 -0.39 -0.05 0.00 -0.87 0.00 0.00 66.00 64.69 1s6d h PRO 65 Cb 0.00 0.13 -0.00 0.00 0.13 0.00 0.00 31.00 31.26 1s6d h PRO 65 CO 0.00 1.12 -0.13 0.00 -0.23 0.00 0.00 178.00 178.76 1s6d h ALA 66 N 0.73 0.19 -0.84 -0.56 0.00 -1.82 -3.13 119.26 113.83 1s6d h ALA 66 Ca -0.09 -0.31 0.27 0.00 0.00 0.00 0.00 54.91 54.77 1s6d h ALA 66 Cb 1.74 -0.04 -0.15 0.00 0.00 0.00 0.00 17.79 19.33 1s6d h ALA 66 CO 0.17 0.05 0.16 -0.89 0.00 0.00 0.00 179.25 178.75 1s6d n ILE 67 N -4.59 -0.35 -0.13 0.00 5.41 -1.23 0.31 119.36 118.77 1s6d n ILE 67 Ca -0.06 1.80 -0.11 0.00 1.00 0.00 0.00 62.75 65.38 1s6d n ILE 67 Cb 0.35 -2.72 -0.08 0.00 -0.71 0.00 0.00 39.64 36.47 1s6d n ILE 67 CO 0.00 0.00 0.00 0.24 0.00 0.00 0.00 176.55 176.79 1s6d h MET 68 N 0.00 -0.29 -0.32 0.38 2.86 -1.64 -0.55 114.93 115.36 1s6d h MET 68 Ca 0.58 0.02 0.02 0.00 -2.06 0.00 0.00 59.70 58.26 1s6d h MET 68 Cb 1.33 0.07 -0.02 0.00 0.06 0.00 0.00 31.60 33.04 1s6d h MET 68 CO -0.74 -0.20 0.21 0.52 1.06 0.00 0.00 176.91 177.76 1s6d h MET 69 N -0.31 0.35 -0.95 1.72 2.86 -0.29 -2.30 114.93 116.02 1s6d h MET 69 Ca 0.06 -0.02 0.18 0.00 -2.06 0.00 0.00 59.70 57.86 1s6d h MET 69 Cb 0.48 -0.08 -0.08 0.00 0.06 0.00 0.00 31.60 31.98 1s6d h MET 69 CO -0.51 0.23 0.60 1.98 1.06 0.00 0.00 176.91 180.27 1s6d h MET 70 N 0.36 0.63 -0.67 1.72 -1.53 -0.03 0.18 114.93 115.59 1s6d h MET 70 Ca 0.12 -0.04 0.00 0.00 -3.44 0.00 0.00 59.70 56.35 1s6d h MET 70 Cb 0.06 -0.14 0.00 0.00 -0.55 0.00 0.00 31.60 30.97 1s6d h MET 70 CO -0.03 0.42 0.00 1.28 0.14 0.00 0.00 176.91 178.72 1s6d n LEU 71 N -4.62 3.74 -0.01 3.39 4.32 -0.87 -3.59 117.00 119.36 1s6d n LEU 71 Ca 0.20 -1.89 0.02 0.00 -0.02 0.00 0.00 56.01 54.32 1s6d n LEU 71 Cb 0.58 -0.55 -0.02 0.00 -1.62 0.00 0.00 43.42 41.81 1s6d n LEU 71 CO 0.27 0.54 0.01 0.59 -1.22 0.00 0.00 177.39 177.58 1s6d n ASN 72 N 0.54 0.28 -3.72 -1.43 4.13 0.59 -4.47 115.26 111.18 1s6d n ASN 72 Ca 0.18 -0.64 -0.27 0.00 1.68 0.00 0.00 54.58 55.52 1s6d n ASN 72 Cb 0.76 0.93 0.24 0.00 -1.54 0.00 0.00 39.78 40.17 1s6d n ASN 72 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1s6d n GLU 73 N -1.01 -3.42 -0.16 3.52 1.02 -0.97 -4.78 120.64 114.83 1s6d n GLU 73 Ca 0.01 -1.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.15 1s6d n GLU 73 Cb 0.07 -1.85 0.00 0.00 -0.02 0.00 0.00 31.44 29.64 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 -4.30 0.59 -0.54 3.49 -0.04 -1.26 -2.18 135.00 130.75 1s6d n PRO 74 Ca 0.08 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.53 1s6d n PRO 74 Cb 0.54 -1.21 -0.00 0.00 -0.04 0.00 0.00 33.50 32.78 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 1.26 0.00 -3.21 0.54 1.56 -1.26 -5.03 117.12 110.98 1s6d n MET 75 Ca 0.00 -0.33 -0.07 0.00 -0.27 0.00 0.00 57.70 57.03 1s6d n MET 75 Cb 0.29 -0.10 -0.03 0.00 2.15 0.00 0.00 33.22 35.53 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 -1.09 0.00 1.12 0.52 -0.93 -4.95 118.94 113.61 1s6d s TRP 76 Ca 0.01 -0.36 0.00 0.00 0.02 0.00 0.00 56.10 55.77 1s6d s TRP 76 Cb 0.01 0.01 0.00 0.00 -1.15 0.00 0.00 33.47 32.34 1s6d s TRP 76 CO -0.00 -1.10 0.00 -0.89 0.02 0.00 0.00 176.95 174.97 1s6d n ILE 77 N 4.08 0.00 1.21 2.03 2.08 -1.26 -4.01 119.36 123.49 1s6d n ILE 77 Ca 0.13 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.44 1s6d n ILE 77 Cb 0.52 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.41 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 0.92 -0.05 0.38 5.12 -1.26 -3.03 116.66 118.73 1s6d n ARG 78 Ca 0.00 0.00 -0.05 0.00 -1.93 0.00 0.00 57.85 55.87 1s6d n ARG 78 Cb 0.00 -1.32 -0.09 0.00 -1.16 0.00 0.00 32.46 29.89 1s6d n ARG 78 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1s6d n MET 79 N -0.13 2.04 0.28 5.56 0.00 -1.26 -4.44 117.12 119.16 1s6d n MET 79 Ca 0.00 -0.01 0.15 0.00 0.00 0.00 0.00 57.70 57.84 1s6d n MET 79 Cb 0.16 -1.29 0.79 0.00 0.00 0.00 0.00 33.22 32.87 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 -1.50 3.17 0.11 -1.84 -2.94 114.38 111.38 1s6d h ARG 80 Ca -0.30 0.00 0.44 0.00 0.10 0.00 0.00 59.98 60.23 1s6d h ARG 80 Cb 1.65 0.00 -0.08 0.00 1.11 0.00 0.00 29.97 32.65 1s6d h ARG 80 CO 0.02 0.09 1.06 0.22 0.10 0.00 0.00 179.97 181.45 1s6d h ASP 81 N 0.00 0.07 0.09 0.08 3.58 -1.78 0.69 116.42 119.15 1s6d h ASP 81 Ca -0.00 0.03 -0.26 0.00 0.42 0.00 0.00 57.03 57.21 1s6d h ASP 81 Cb 0.31 0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.37 1s6d h ASP 81 CO 0.01 -0.02 -1.36 -0.61 -2.88 0.00 0.00 179.24 174.37 1s6d h GLN 82 N 0.04 0.18 0.00 0.28 4.15 -1.85 -3.35 115.11 114.56 1s6d h GLN 82 Ca 0.75 -0.31 0.00 0.00 0.77 0.00 0.00 58.65 59.86 1s6d h GLN 82 Cb 2.85 0.12 0.00 0.00 0.21 0.00 0.00 27.48 30.65 1s6d h GLN 82 CO -0.09 1.15 0.00 -0.39 -1.93 0.00 0.00 178.83 177.57 1s6d h VAL 83 N -0.45 0.00 0.15 2.39 -1.51 -0.93 -2.75 116.25 113.15 1s6d h VAL 83 Ca -0.31 -0.11 -0.01 0.00 -1.23 0.00 0.00 66.70 65.04 1s6d h VAL 83 Cb 1.65 0.82 0.00 0.00 -2.13 0.00 0.00 31.29 31.63 1s6d h VAL 83 CO 0.00 0.00 -0.07 0.24 -1.23 0.00 0.00 177.57 176.51 1s6d h MET 84 N 0.00 -0.20 0.00 5.19 2.86 0.13 0.50 114.93 123.42 1s6d h MET 84 Ca 0.00 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1s6d h MET 84 Cb 0.14 0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.85 1s6d h MET 84 CO 0.00 0.21 0.00 0.45 1.06 0.00 0.00 176.91 178.63 1s6d n SER 85 N -4.97 0.00 -0.11 1.22 2.88 -1.04 -2.05 113.62 109.55 1s6d n SER 85 Ca -0.09 0.31 -0.17 0.00 -1.33 0.00 0.00 58.87 57.60 1s6d n SER 85 Cb 0.26 -0.38 -0.13 0.00 -0.75 0.00 0.00 64.21 63.21 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 0.66 -0.49 -1.46 2.81 -0.85 -4.29 117.12 112.12 1s6d n MET 86 Ca 0.03 0.14 -0.03 0.00 -1.81 0.00 0.00 57.70 56.03 1s6d n MET 86 Cb 0.09 -1.54 0.14 0.00 -0.71 0.00 0.00 33.22 31.20 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 -3.16 3.52 -0.07 3.04 0.00 0.17 -2.95 120.51 121.06 1s6d n ALA 87 Ca -0.43 -1.10 -0.07 0.00 0.00 0.00 0.00 53.44 51.85 1s6d n ALA 87 Cb 1.02 -1.13 -0.11 0.00 0.00 0.00 0.00 19.45 19.23 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 0.03 0.00 -0.03 0.00 1.44 -0.87 -4.37 115.22 111.42 1s6d n HIS 88 Ca 0.20 0.00 0.04 0.00 -2.01 0.00 0.00 57.72 55.94 1s6d n HIS 88 Cb 0.86 -0.70 -0.13 0.00 0.12 0.00 0.00 29.99 30.14 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 -2.52 1.25 0.02 4.39 5.03 -1.23 -3.79 115.26 118.41 1s6d n ASN 89 Ca -0.23 0.00 -0.11 0.00 0.87 0.00 0.00 54.58 55.11 1s6d n ASN 89 Cb 0.95 1.49 -0.06 0.00 -1.02 0.00 0.00 39.78 41.14 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 0.04 -0.33 3.41 3.38 -1.78 0.33 115.31 120.36 1s6d h LEU 90 Ca -0.12 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.66 1s6d h LEU 90 Cb 1.10 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 1s6d h LEU 90 CO 0.01 0.03 -0.83 1.55 0.09 0.00 0.00 178.44 179.29 1s6d h PRO 91 N 0.06 0.28 -0.39 1.13 0.13 -1.79 -3.09 132.00 128.33 1s6d h PRO 91 Ca 0.02 -0.27 -0.07 0.00 -0.87 0.00 0.00 66.00 64.81 1s6d h PRO 91 Cb -0.00 0.07 -0.01 0.00 0.13 0.00 0.00 31.00 31.19 1s6d h PRO 91 CO -0.01 0.96 -0.04 0.82 -0.23 0.00 0.00 178.00 179.50 1s6d h ILE 92 N 0.17 1.27 0.00 -3.56 2.04 -1.63 0.31 117.51 116.10 1s6d h ILE 92 Ca -0.04 -1.09 0.00 0.00 1.00 0.00 0.00 64.86 64.73 1s6d h ILE 92 Cb 1.44 1.18 0.00 0.00 -0.74 0.00 0.00 36.82 38.69 1s6d h ILE 92 CO 0.13 0.36 0.00 -0.33 0.00 0.00 0.00 178.15 178.32 1s6d h GLU 93 N 0.54 0.00 0.00 2.37 4.39 -0.37 0.24 114.58 121.75 1s6d h GLU 93 Ca 0.11 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.81 1s6d h GLU 93 Cb 0.54 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 1s6d h GLU 93 CO 0.03 0.00 -0.65 0.00 -1.16 0.00 0.00 179.01 177.23 1s6d n ASN 95 N -1.61 -2.00 0.01 0.00 4.05 0.86 -4.99 115.26 111.58 1s6d n ASN 95 Ca 0.05 0.00 -0.01 0.00 0.45 0.00 0.00 54.58 55.06 1s6d n ASN 95 Cb 0.36 -0.40 -0.01 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 -0.06 -3.26 1.20 3.38 -0.58 -3.39 115.31 112.60 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 0.20 0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1s6d h LEU 96 CO 0.00 0.17 0.00 1.15 0.09 0.00 0.00 178.44 179.85 1s6d n MET 97 N -3.38 3.09 -0.00 1.13 0.00 -0.69 -4.58 117.12 112.68 1s6d n MET 97 Ca -0.01 -2.82 -0.00 0.00 0.00 0.00 0.00 57.70 54.87 1s6d n MET 97 Cb 0.03 -1.85 -0.00 0.00 0.00 0.00 0.00 33.22 31.40 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 -0.01 -2.74 3.17 2.88 -1.26 -4.17 113.62 111.15 1s6d n SER 98 Ca 0.21 0.79 -0.09 0.00 -1.33 0.00 0.00 58.87 58.45 1s6d n SER 98 Cb 0.89 -0.39 0.09 0.00 -0.75 0.00 0.00 64.21 64.05 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 -2.80 1.12 0.04 -1.46 7.27 -1.26 -4.98 117.38 115.31 1s6d n GLN 99 Ca 0.00 -2.17 -0.02 0.00 0.07 0.00 0.00 57.00 54.88 1s6d n GLN 99 Cb 0.00 -0.61 -0.01 0.00 2.41 0.00 0.00 30.24 32.03 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 2.50 -0.13 -6.34 3.69 0.13 -1.87 -3.43 132.00 126.55 1s6d h PRO 100 Ca -0.17 0.01 -0.55 0.00 -0.87 0.00 0.00 66.00 64.42 1s6d h PRO 100 Cb 1.20 0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 1s6d h PRO 100 CO 0.11 -0.09 0.79 0.00 -0.23 0.00 0.00 178.00 178.59 1s6d n GLN 102 N 5.38 0.81 0.00 0.00 6.02 -1.26 -5.13 117.38 123.20 1s6d n GLN 102 Ca 0.12 -3.19 0.00 0.00 -0.01 0.00 0.00 57.00 53.92 1s6d n GLN 102 Cb 0.45 1.16 0.00 0.00 1.02 0.00 0.00 30.24 32.86 1s6d n GLN 102 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.06 174.72