#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 0.00 0.54 4.11 -1.26 -5.00 117.16 115.55 1s6d n TYR 2 Ca 0.00 -0.28 0.00 0.00 -0.00 0.00 0.00 57.90 57.62 1s6d n TYR 2 Cb 0.00 0.26 0.00 0.00 -0.00 0.00 0.00 39.34 39.60 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 0.07 0.48 2.89 -7.48 0.00 -1.26 -5.12 105.19 94.78 1s6d n GLY 3 Ca -0.11 0.12 -0.12 0.00 0.00 0.00 0.00 46.02 45.91 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 0.10 0.00 1.61 6.06 -1.26 -5.14 118.95 120.31 1s6d s ARG 4 Ca 0.00 -0.09 0.00 0.00 -2.50 0.00 0.00 55.73 53.14 1s6d s ARG 4 Cb 0.00 -0.06 0.00 0.00 0.06 0.00 0.00 34.95 34.95 1s6d s ARG 4 CO 0.00 0.01 0.00 0.41 -2.50 0.00 0.00 175.30 173.22 1s6d n GLY 5 N 2.92 2.28 3.65 8.12 0.00 -1.26 -4.64 105.19 116.25 1s6d n GLY 5 Ca -0.13 -0.79 -0.02 0.00 0.00 0.00 0.00 46.02 45.08 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 0.04 0.12 1.61 3.52 -1.26 -5.09 118.95 115.90 1s6d s ARG 6 Ca 0.00 0.02 -0.02 0.00 -0.13 0.00 0.00 55.73 55.60 1s6d s ARG 6 Cb 0.00 0.02 0.01 0.00 -1.56 0.00 0.00 34.95 33.42 1s6d s ARG 6 CO 0.00 -0.01 0.19 0.25 -0.81 0.00 0.00 175.30 174.92 1s6d n THR 7 N 0.88 0.00 -0.46 4.11 -2.24 -1.26 -5.17 114.28 110.14 1s6d n THR 7 Ca -0.03 -0.53 -0.25 0.00 -2.27 0.00 0.00 64.05 60.97 1s6d n THR 7 Cb 0.58 0.36 0.23 0.00 -2.10 0.00 0.00 70.33 69.40 1s6d n THR 7 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1s6d n GLU 8 N -0.19 -3.81 -0.06 -0.78 -0.58 -1.26 -5.04 120.64 108.92 1s6d n GLU 8 Ca -0.01 -1.28 -0.06 0.00 -0.42 0.00 0.00 57.16 55.39 1s6d n GLU 8 Cb 0.20 -1.48 0.05 0.00 -0.57 0.00 0.00 31.44 29.64 1s6d n GLU 8 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1s6d n SER 9 N -5.05 -2.24 0.00 1.62 7.64 -1.26 -5.00 113.62 109.34 1s6d n SER 9 Ca 0.12 -0.16 0.00 0.00 1.01 0.00 0.00 58.87 59.84 1s6d n SER 9 Cb 0.49 -0.19 0.00 0.00 -1.01 0.00 0.00 64.21 63.50 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 -1.00 -1.88 0.00 0.23 0.00 -1.26 -4.91 105.19 96.37 1s6d n GLY 10 Ca 0.03 0.75 0.07 0.00 0.00 0.00 0.00 46.02 46.86 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 -1.19 -0.07 0.00 3.20 -1.91 0.64 116.97 117.64 1s6d h TYR 12 Ca 0.00 0.10 0.02 0.00 3.14 0.00 0.00 58.73 61.99 1s6d h TYR 12 Cb 0.40 0.64 -0.00 0.00 1.54 0.00 0.00 36.73 39.31 1s6d h TYR 12 CO 0.00 -0.40 0.06 0.37 -1.64 0.00 0.00 178.16 176.55 1s6d h GLN 13 N -0.06 0.00 0.00 1.82 4.15 -1.99 0.77 115.11 119.80 1s6d h GLN 13 Ca 0.28 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.70 1s6d h GLN 13 Cb 0.56 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.25 1s6d h GLN 13 CO -0.89 0.00 -0.63 1.96 -1.93 0.00 0.00 178.83 177.34 1s6d h GLN 14 N 0.00 0.00 0.03 1.69 7.50 -0.85 -3.36 115.11 120.12 1s6d h GLN 14 Ca 0.03 0.00 -0.05 0.00 0.50 0.00 0.00 58.65 59.13 1s6d h GLN 14 Cb 0.15 0.00 0.01 0.00 0.05 0.00 0.00 27.48 27.68 1s6d h GLN 14 CO -0.00 0.00 -0.21 0.52 -1.50 0.00 0.00 178.83 177.64 1s6d h MET 15 N 0.00 0.09 -0.89 1.46 2.86 0.25 -2.77 114.93 115.94 1s6d h MET 15 Ca 0.00 -0.14 0.21 0.00 -2.06 0.00 0.00 59.70 57.71 1s6d h MET 15 Cb 0.81 0.05 -0.06 0.00 0.06 0.00 0.00 31.60 32.46 1s6d h MET 15 CO 0.00 1.02 0.59 1.05 1.06 0.00 0.00 176.91 180.63 1s6d h GLU 16 N -0.76 0.33 0.00 1.72 4.11 -1.47 0.50 114.58 119.00 1s6d h GLU 16 Ca -0.04 -0.02 -0.07 0.00 0.07 0.00 0.00 59.36 59.30 1s6d h GLU 16 Cb 1.12 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.28 1s6d h GLU 16 CO 0.04 0.22 -0.35 1.49 0.07 0.00 0.00 179.01 180.48 1s6d h GLU 17 N 0.34 0.00 -0.41 1.06 4.81 -1.70 -3.26 114.58 115.41 1s6d h GLU 17 Ca 0.46 0.00 -0.30 0.00 -0.13 0.00 0.00 59.36 59.38 1s6d h GLU 17 Cb 1.23 0.00 -0.26 0.00 0.63 0.00 0.00 28.75 30.35 1s6d h GLU 17 CO -0.15 0.35 -0.73 0.00 -0.73 0.00 0.00 179.01 177.75 1s6d n ALA 18 N -2.21 4.23 -0.61 2.92 0.00 -0.15 -5.04 120.51 119.66 1s6d n ALA 18 Ca 0.02 -3.48 -0.01 0.00 0.00 0.00 0.00 53.44 49.97 1s6d n ALA 18 Cb 0.62 -0.38 -0.01 0.00 0.00 0.00 0.00 19.45 19.68 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 -0.04 0.00 0.28 0.16 -4.68 120.64 115.56 1s6d n GLU 19 Ca 0.30 0.00 -0.13 0.00 -0.16 0.00 0.00 57.16 57.17 1s6d n GLU 19 Cb 0.86 -0.59 -0.14 0.00 1.43 0.00 0.00 31.44 33.00 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 2.70 0.68 -0.41 3.44 0.00 -1.26 -3.76 117.12 118.51 1s6d n MET 20 Ca 0.02 0.22 0.05 0.00 0.00 0.00 0.00 57.70 58.00 1s6d n MET 20 Cb 0.29 -1.70 0.22 0.00 0.00 0.00 0.00 33.22 32.03 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 -3.15 3.22 -0.06 3.17 7.99 -1.26 -3.89 117.00 123.01 1s6d n LEU 21 Ca -0.27 -1.62 -0.20 0.00 -0.01 0.00 0.00 56.01 53.90 1s6d n LEU 21 Cb 1.06 -0.48 -0.13 0.00 -0.11 0.00 0.00 43.42 43.76 1s6d n LEU 21 CO 0.42 0.52 -0.37 0.78 -1.51 0.00 0.00 177.39 177.22 1s6d h ASN 22 N 2.44 0.13 0.56 -1.43 4.21 -1.94 -2.83 115.58 116.71 1s6d h ASN 22 Ca 0.00 -0.71 -0.03 0.00 1.21 0.00 0.00 56.30 56.78 1s6d h ASN 22 Cb 1.06 -0.04 0.01 0.00 -1.12 0.00 0.00 38.32 38.22 1s6d h ASN 22 CO 0.18 1.48 -0.27 0.45 -1.29 0.00 0.00 177.43 177.97 1s6d h HIS 23 N -0.74 -0.69 -0.27 1.19 3.86 -1.76 0.36 115.15 117.10 1s6d h HIS 23 Ca -0.29 -0.02 0.08 0.00 -1.16 0.00 0.00 60.37 58.98 1s6d h HIS 23 Cb 1.43 0.23 -0.01 0.00 1.06 0.00 0.00 27.41 30.12 1s6d h HIS 23 CO 0.13 -0.37 0.24 0.00 0.86 0.00 0.00 177.93 178.80 1s6d h GLY 25 N 0.00 -0.30 0.12 0.00 0.00 -1.05 -3.28 103.07 98.56 1s6d h GLY 25 Ca 0.13 0.11 0.19 0.00 0.00 0.00 0.00 47.33 47.76 1s6d h GLY 25 CO -0.00 -0.11 0.59 -0.33 0.00 0.00 0.00 176.54 176.69 1s6d h MET 26 N -0.71 0.72 -0.94 4.80 2.86 0.15 0.23 114.93 122.05 1s6d h MET 26 Ca -0.03 -0.04 0.13 0.00 -2.06 0.00 0.00 59.70 57.69 1s6d h MET 26 Cb 0.49 -0.16 -0.08 0.00 0.06 0.00 0.00 31.60 31.91 1s6d h MET 26 CO 0.05 0.48 0.60 -0.92 1.06 0.00 0.00 176.91 178.17 1s6d h TYR 27 N 0.74 0.98 0.23 -0.22 3.20 -1.58 -1.01 116.97 119.31 1s6d h TYR 27 Ca 0.57 0.03 -0.34 0.00 3.14 0.00 0.00 58.73 62.13 1s6d h TYR 27 Cb 0.89 -0.31 0.03 0.00 1.54 0.00 0.00 36.73 38.88 1s6d h TYR 27 CO -0.02 0.38 -1.54 -0.07 -1.64 0.00 0.00 178.16 175.28 1s6d h LEU 28 N 0.85 0.77 0.00 2.82 3.38 -0.78 -3.24 115.31 119.11 1s6d h LEU 28 Ca 0.46 -0.89 0.00 0.00 0.09 0.00 0.00 57.88 57.54 1s6d h LEU 28 Cb 0.58 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1s6d h LEU 28 CO -0.23 1.71 0.00 0.80 0.09 0.00 0.00 178.44 180.81 1s6d n MET 29 N -3.68 0.28 0.18 1.13 1.56 0.52 -1.78 117.12 115.34 1s6d n MET 29 Ca -0.18 0.06 0.05 0.00 -0.27 0.00 0.00 57.70 57.36 1s6d n MET 29 Cb 1.10 -1.50 0.28 0.00 2.15 0.00 0.00 33.22 35.25 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 -1.24 -2.65 116.57 118.44 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 0.03 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 1s6d h LYS 30 CO 0.00 0.40 0.00 0.09 -2.27 0.00 0.00 179.45 177.67 1s6d n ASN 31 N -3.46 0.67 -0.00 4.20 4.13 -1.00 -4.75 115.26 115.05 1s6d n ASN 31 Ca 0.00 -1.22 0.04 0.00 1.68 0.00 0.00 54.58 55.07 1s6d n ASN 31 Cb 0.55 0.00 -0.04 0.00 -1.54 0.00 0.00 39.78 38.75 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 -0.11 0.35 -3.99 3.41 4.77 -0.73 -4.98 117.00 115.72 1s6d n LEU 32 Ca 0.00 -0.48 -0.18 0.00 -0.03 0.00 0.00 56.01 55.33 1s6d n LEU 32 Cb 0.27 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.21 1s6d n LEU 32 CO 0.00 0.09 -0.42 -0.83 -1.33 0.00 0.00 177.39 174.90 1s6d s GLY 33 N -1.77 0.37 -0.82 -0.72 0.00 -1.00 -4.81 107.32 98.57 1s6d s GLY 33 Ca 0.03 -0.31 -0.24 0.00 0.00 0.00 0.00 44.72 44.20 1s6d s GLY 33 CO 0.31 -0.23 2.37 -2.21 0.00 0.00 0.00 173.10 173.34 1s6d n GLU 34 N 2.96 0.47 -3.47 2.90 2.13 -1.26 -4.66 120.64 119.71 1s6d n GLU 34 Ca -0.14 -0.80 -0.28 0.00 0.66 0.00 0.00 57.16 56.60 1s6d n GLU 34 Cb 0.57 -3.42 -0.11 0.00 0.27 0.00 0.00 31.44 28.76 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 8.69 1.05 -0.82 5.31 3.52 -1.26 -5.02 118.95 130.42 1s6d s ARG 35 Ca 0.96 -2.14 0.02 0.00 -0.13 0.00 0.00 55.73 54.43 1s6d s ARG 35 Cb -0.20 -1.67 0.24 0.00 -1.56 0.00 0.00 34.95 31.76 1s6d s ARG 35 CO 0.14 -1.34 0.87 -1.13 -0.81 0.00 0.00 175.30 173.03 1s6d n SER 36 N 2.94 4.34 -4.73 -2.12 3.41 -1.26 -4.99 113.62 111.21 1s6d n SER 36 Ca 0.25 -3.31 -0.41 0.00 -0.26 0.00 0.00 58.87 55.13 1s6d n SER 36 Cb 0.44 -0.92 -0.03 0.00 -0.26 0.00 0.00 64.21 63.45 1s6d n SER 36 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 1s6d s GLN 37 N -2.08 4.37 -0.65 4.33 0.74 -1.26 -4.88 119.66 120.23 1s6d s GLN 37 Ca 0.33 2.05 -0.30 0.00 0.05 0.00 0.00 55.36 57.49 1s6d s GLN 37 Cb 0.04 -3.21 -0.14 0.00 1.10 0.00 0.00 33.01 30.80 1s6d s GLN 37 CO -0.04 -0.29 2.47 1.55 -0.55 0.00 0.00 175.29 178.42 1s6d n VAL 38 N 2.93 0.01 -2.71 1.34 3.14 -1.26 -4.78 118.33 117.00 1s6d n VAL 38 Ca 0.07 -0.37 -0.02 0.00 -2.96 0.00 0.00 64.34 61.06 1s6d n VAL 38 Cb 0.43 -1.65 0.02 0.00 -1.06 0.00 0.00 33.84 31.58 1s6d n VAL 38 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 1s6d s SER 39 N 9.84 -0.41 -0.12 6.55 0.15 -1.26 -5.04 113.70 123.41 1s6d s SER 39 Ca 1.15 -0.41 -0.04 0.00 0.70 0.00 0.00 55.95 57.35 1s6d s SER 39 Cb -0.75 0.53 -0.17 0.00 -1.71 0.00 0.00 66.02 63.92 1s6d s SER 39 CO 0.40 -0.02 2.54 -0.81 1.20 0.00 0.00 173.24 176.55 1s6d n PRO 40 N 2.92 1.44 -2.85 5.44 -0.04 -1.26 -4.32 135.00 136.32 1s6d n PRO 40 Ca 0.11 -0.77 -0.03 0.00 -0.04 0.00 0.00 63.50 62.77 1s6d n PRO 40 Cb 0.64 -1.91 0.01 0.00 -0.04 0.00 0.00 33.50 32.20 1s6d n PRO 40 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1s6d s ARG 41 N 1.84 0.95 -0.61 0.54 6.06 -1.26 -5.11 118.95 121.36 1s6d s ARG 41 Ca 0.44 -0.81 -0.36 0.00 -2.50 0.00 0.00 55.73 52.49 1s6d s ARG 41 Cb 0.20 -0.01 -0.18 0.00 0.06 0.00 0.00 34.95 35.02 1s6d s ARG 41 CO -0.00 -1.21 2.13 0.00 -2.50 0.00 0.00 175.30 173.71 1s6d n MET 42 N 3.26 0.00 -3.28 5.12 0.00 -1.26 -4.86 117.12 116.09 1s6d n MET 42 Ca 0.16 0.00 0.03 0.00 0.00 0.00 0.00 57.70 57.89 1s6d n MET 42 Cb 0.57 -1.37 -0.04 0.00 0.00 0.00 0.00 33.22 32.38 1s6d n MET 42 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 175.97 176.47 1s6d s ARG 43 N 6.39 0.17 0.00 3.17 3.52 -1.26 -5.18 118.95 125.75 1s6d s ARG 43 Ca 1.15 0.41 -0.29 0.00 -0.13 0.00 0.00 55.73 56.87 1s6d s ARG 43 Cb -1.30 0.25 0.11 0.00 -1.56 0.00 0.00 34.95 32.45 1s6d s ARG 43 CO 0.55 -0.07 1.26 -1.83 -0.81 0.00 0.00 175.30 174.41 1s6d s GLU 44 N 2.33 0.47 0.30 5.12 1.03 -1.26 -5.15 118.70 121.54 1s6d s GLU 44 Ca -0.01 -0.27 -0.29 0.00 0.03 0.00 0.00 54.97 54.43 1s6d s GLU 44 Cb -0.04 0.15 -0.09 0.00 -0.80 0.00 0.00 34.13 33.35 1s6d s GLU 44 CO -0.16 -0.22 1.11 -2.00 -1.33 0.00 0.00 175.26 172.66 1s6d s GLU 45 N -2.38 4.54 -0.77 -4.83 2.12 -1.26 -5.00 118.70 111.11 1s6d s GLU 45 Ca 0.17 1.80 -0.10 0.00 0.36 0.00 0.00 54.97 57.20 1s6d s GLU 45 Cb 0.03 -3.08 0.20 0.00 0.26 0.00 0.00 34.13 31.54 1s6d s GLU 45 CO -0.03 0.12 0.67 0.34 -0.54 0.00 0.00 175.26 175.82 1s6d s ASP 46 N -0.94 6.26 0.71 -1.70 -1.08 -1.26 -5.01 116.67 113.65 1s6d s ASP 46 Ca 0.47 -2.79 -0.16 0.00 -0.52 0.00 0.00 52.55 49.54 1s6d s ASP 46 Cb -0.31 -2.09 0.02 0.00 -1.46 0.00 0.00 42.92 39.08 1s6d s ASP 46 CO 0.40 -0.49 1.26 -1.00 0.52 0.00 0.00 175.17 175.87 1s6d s HIS 47 N 0.02 1.97 0.00 -5.34 3.76 -1.26 -4.69 115.29 109.75 1s6d s HIS 47 Ca 0.18 1.55 0.00 0.00 -0.15 0.00 0.00 55.06 56.64 1s6d s HIS 47 Cb -0.13 -3.63 0.00 0.00 1.11 0.00 0.00 32.58 29.93 1s6d s HIS 47 CO -0.07 -2.91 0.00 1.63 -0.85 0.00 0.00 174.74 172.53 1s6d n LYS 48 N -2.41 0.00 -0.06 1.40 5.02 -1.26 -4.73 118.16 116.12 1s6d n LYS 48 Ca 0.15 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.41 1s6d n LYS 48 Cb 0.49 0.00 -0.13 0.00 -0.02 0.00 0.00 35.03 35.37 1s6d n LYS 48 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1s6d n GLN 49 N 0.00 1.08 0.00 1.97 3.00 -1.26 -3.91 117.38 118.26 1s6d n GLN 49 Ca 0.00 -0.06 0.09 0.00 -0.01 0.00 0.00 57.00 57.03 1s6d n GLN 49 Cb 0.00 -1.42 0.44 0.00 0.00 0.00 0.00 30.24 29.26 1s6d n GLN 49 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1s6d n LEU 50 N -2.45 0.00 -0.11 1.08 4.77 -1.26 -1.25 117.00 117.79 1s6d n LEU 50 Ca -0.19 0.42 -0.20 0.00 -0.03 0.00 0.00 56.01 56.01 1s6d n LEU 50 Cb 0.85 -0.42 -0.08 0.00 -2.33 0.00 0.00 43.42 41.44 1s6d n LEU 50 CO 0.35 -0.15 -0.79 0.00 -1.33 0.00 0.00 177.39 175.48 1s6d n MET 53 N -1.75 0.00 0.14 0.00 0.00 -0.38 -2.94 117.12 112.19 1s6d n MET 53 Ca 0.00 0.12 0.11 0.00 0.00 0.00 0.00 57.70 57.93 1s6d n MET 53 Cb 0.06 -0.84 0.51 0.00 0.00 0.00 0.00 33.22 32.94 1s6d n MET 53 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 175.97 177.01 1s6d n GLN 54 N -0.86 0.15 -0.12 2.12 3.00 -1.23 -1.48 117.38 118.96 1s6d n GLN 54 Ca 0.00 0.54 -0.07 0.00 -0.01 0.00 0.00 57.00 57.46 1s6d n GLN 54 Cb 0.00 -1.89 0.09 0.00 0.00 0.00 0.00 30.24 28.45 1s6d n GLN 54 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.06 176.99 1s6d h LEU 55 N 0.00 0.85 -0.07 1.08 3.38 -1.48 -2.19 115.31 116.88 1s6d h LEU 55 Ca 0.00 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1s6d h LEU 55 Cb 0.14 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1s6d h LEU 55 CO 0.00 0.97 0.00 1.17 0.09 0.00 0.00 178.44 180.67 1s6d n LYS 56 N -4.16 0.04 0.08 1.13 4.81 -0.55 -2.67 118.16 116.84 1s6d n LYS 56 Ca 0.01 0.18 -0.00 0.00 -0.87 0.00 0.00 58.31 57.63 1s6d n LYS 56 Cb 0.38 -1.56 -0.04 0.00 0.02 0.00 0.00 35.03 33.82 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 -2.23 3.14 2.35 -1.38 -3.47 115.58 113.99 1s6d h ASN 57 Ca 0.00 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.59 1s6d h ASN 57 Cb 0.38 0.00 0.08 0.00 0.05 0.00 0.00 38.32 38.83 1s6d h ASN 57 CO 0.00 0.63 0.04 0.18 -1.65 0.00 0.00 177.43 176.63 1s6d n LEU 58 N -3.11 0.00 -4.92 1.61 4.77 -0.99 -5.06 117.00 109.30 1s6d n LEU 58 Ca -0.04 -0.47 -0.30 0.00 -0.03 0.00 0.00 56.01 55.18 1s6d n LEU 58 Cb 0.82 -0.41 -0.04 0.00 -2.33 0.00 0.00 43.42 41.46 1s6d n LEU 58 CO 0.43 -1.50 -0.08 -1.81 -1.33 0.00 0.00 177.39 173.09 1s6d s ASP 59 N -2.69 6.39 0.48 -1.43 1.01 -1.26 -5.00 116.67 114.16 1s6d s ASP 59 Ca 0.29 0.34 0.20 0.00 0.71 0.00 0.00 52.55 54.09 1s6d s ASP 59 Cb -0.03 -1.99 1.20 0.00 1.01 0.00 0.00 42.92 43.11 1s6d s ASP 59 CO 0.22 0.11 2.02 -0.08 0.21 0.00 0.00 175.17 177.65 1s6d h GLU 60 N 2.79 0.00 0.00 8.23 4.81 -1.93 0.18 114.58 128.65 1s6d h GLU 60 Ca -0.46 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 1s6d h GLU 60 Cb 1.17 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.55 1s6d h GLU 60 CO 0.73 0.16 -0.17 1.17 -0.73 0.00 0.00 179.01 180.17 1s6d n LYS 61 N -4.00 0.20 0.03 1.92 4.81 -1.26 -3.27 118.16 116.58 1s6d n LYS 61 Ca -0.02 0.13 0.11 0.00 -0.87 0.00 0.00 58.31 57.66 1s6d n LYS 61 Cb 0.25 -1.70 -0.04 0.00 0.02 0.00 0.00 35.03 33.56 1s6d n LYS 61 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1s6d n MET 63 N -2.10 3.46 0.00 0.00 2.81 0.33 -1.94 117.12 119.68 1s6d n MET 63 Ca 0.00 -2.60 0.00 0.00 -1.81 0.00 0.00 57.70 53.30 1s6d n MET 63 Cb 0.48 -2.98 0.00 0.00 -0.71 0.00 0.00 33.22 30.01 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 0.41 0.07 0.00 0.13 -1.76 -3.25 132.00 127.60 1s6d h PRO 65 Ca 0.00 -0.41 -0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1s6d h PRO 65 Cb 0.00 0.11 0.00 0.00 0.13 0.00 0.00 31.00 31.24 1s6d h PRO 65 CO 0.00 1.07 -0.03 0.00 -0.23 0.00 0.00 178.00 178.80 1s6d h ALA 66 N 0.80 -0.10 -0.87 -0.56 0.00 -1.68 -3.13 119.26 113.72 1s6d h ALA 66 Ca -0.06 -0.14 0.26 0.00 0.00 0.00 0.00 54.91 54.96 1s6d h ALA 66 Cb 1.49 0.04 -0.16 0.00 0.00 0.00 0.00 17.79 19.16 1s6d h ALA 66 CO 0.15 -0.42 0.07 -0.89 0.00 0.00 0.00 179.25 178.16 1s6d n ILE 67 N -5.01 -0.37 -0.05 0.00 5.41 -1.23 0.06 119.36 118.18 1s6d n ILE 67 Ca -0.08 1.91 -0.05 0.00 1.00 0.00 0.00 62.75 65.52 1s6d n ILE 67 Cb 0.17 -2.82 -0.04 0.00 -0.71 0.00 0.00 39.64 36.25 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 -0.15 -0.05 0.38 2.86 -1.61 -1.89 114.93 114.47 1s6d h MET 68 Ca 0.56 0.01 0.01 0.00 -2.06 0.00 0.00 59.70 58.22 1s6d h MET 68 Cb 1.20 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.90 1s6d h MET 68 CO -0.80 -0.10 0.04 0.52 1.06 0.00 0.00 176.91 177.63 1s6d h MET 69 N -0.16 0.00 -0.99 1.72 2.86 -0.47 -0.97 114.93 116.91 1s6d h MET 69 Ca 0.02 0.00 0.13 0.00 -2.06 0.00 0.00 59.70 57.79 1s6d h MET 69 Cb 0.23 0.00 -0.09 0.00 0.06 0.00 0.00 31.60 31.80 1s6d h MET 69 CO -0.21 0.00 0.62 1.98 1.06 0.00 0.00 176.91 180.35 1s6d h MET 70 N 0.00 0.93 -0.76 1.72 -1.53 -0.34 -0.26 114.93 114.70 1s6d h MET 70 Ca 0.02 -0.06 0.00 0.00 -3.44 0.00 0.00 59.70 56.23 1s6d h MET 70 Cb 0.11 -0.21 0.00 0.00 -0.55 0.00 0.00 31.60 30.95 1s6d h MET 70 CO -0.00 0.61 0.00 1.28 0.14 0.00 0.00 176.91 178.94 1s6d n LEU 71 N -4.65 3.63 -0.05 3.39 4.77 -0.38 -3.26 117.00 120.46 1s6d n LEU 71 Ca 0.19 -1.84 0.01 0.00 -0.03 0.00 0.00 56.01 54.34 1s6d n LEU 71 Cb 0.37 -0.60 -0.00 0.00 -2.33 0.00 0.00 43.42 40.86 1s6d n LEU 71 CO 0.26 0.46 0.14 0.59 -1.33 0.00 0.00 177.39 177.52 1s6d n ASN 72 N 0.36 0.65 -3.93 -1.43 4.13 -0.13 -4.42 115.26 110.49 1s6d n ASN 72 Ca 0.16 -0.82 -0.29 0.00 1.68 0.00 0.00 54.58 55.30 1s6d n ASN 72 Cb 0.77 0.52 0.27 0.00 -1.54 0.00 0.00 39.78 39.81 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 -0.75 -2.08 0.00 3.52 2.02 -1.07 -4.80 118.70 115.54 1s6d s GLU 73 Ca 0.02 0.45 0.00 0.00 0.02 0.00 0.00 54.97 55.46 1s6d s GLU 73 Cb 0.02 -1.45 0.00 0.00 0.10 0.00 0.00 34.13 32.80 1s6d s GLU 73 CO 0.07 -4.39 0.64 -0.35 0.02 0.00 0.00 175.26 171.24 1s6d n PRO 74 N -5.34 0.43 -0.56 0.39 -0.04 -1.26 -2.23 135.00 126.40 1s6d n PRO 74 Ca 0.08 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.53 1s6d n PRO 74 Cb 0.57 -1.29 -0.01 0.00 -0.04 0.00 0.00 33.50 32.74 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 1.27 0.00 -3.05 0.54 1.56 -1.26 -5.04 117.12 111.14 1s6d n MET 75 Ca 0.00 -0.15 -0.06 0.00 -0.27 0.00 0.00 57.70 57.21 1s6d n MET 75 Cb 0.21 0.03 -0.02 0.00 2.15 0.00 0.00 33.22 35.60 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 -1.23 0.00 1.12 0.52 -0.95 -4.87 118.94 113.53 1s6d s TRP 76 Ca 0.00 -0.49 0.00 0.00 0.02 0.00 0.00 56.10 55.64 1s6d s TRP 76 Cb 0.00 0.11 0.00 0.00 -1.15 0.00 0.00 33.47 32.43 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 3.61 0.00 0.94 2.03 -0.00 -1.26 -3.81 119.36 120.87 1s6d n ILE 77 Ca 0.16 0.00 0.06 0.00 -0.00 0.00 0.00 62.75 62.97 1s6d n ILE 77 Cb 0.54 0.00 0.18 0.00 -0.00 0.00 0.00 39.64 40.36 1s6d n ILE 77 CO 0.00 0.00 0.00 -2.11 -0.00 0.00 0.00 176.55 174.44 1s6d n ARG 78 N 0.00 1.79 -0.02 0.38 1.85 -1.26 -3.58 116.66 115.82 1s6d n ARG 78 Ca 0.00 -1.22 -0.00 0.00 -1.00 0.00 0.00 57.85 55.63 1s6d n ARG 78 Cb 0.00 -1.28 -0.06 0.00 -1.05 0.00 0.00 32.46 30.07 1s6d n ARG 78 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1s6d n MET 79 N 0.48 1.60 0.20 2.89 0.00 -1.26 -4.49 117.12 116.54 1s6d n MET 79 Ca 0.12 -0.04 0.14 0.00 0.00 0.00 0.00 57.70 57.92 1s6d n MET 79 Cb 0.29 -1.20 0.38 0.00 0.00 0.00 0.00 33.22 32.69 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 -1.36 3.17 0.11 -1.85 -3.30 114.38 111.15 1s6d h ARG 80 Ca -0.11 0.00 0.39 0.00 0.10 0.00 0.00 59.98 60.36 1s6d h ARG 80 Cb 0.97 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 31.99 1s6d h ARG 80 CO 0.01 0.00 0.97 0.22 0.10 0.00 0.00 179.97 181.26 1s6d h ASP 81 N 0.00 0.04 0.05 0.08 3.58 -1.79 0.75 116.42 119.13 1s6d h ASP 81 Ca 0.00 0.01 -0.33 0.00 0.42 0.00 0.00 57.03 57.14 1s6d h ASP 81 Cb 0.77 0.01 -0.03 0.00 1.72 0.00 0.00 39.33 41.79 1s6d h ASP 81 CO 0.00 -0.00 -1.81 0.00 -2.88 0.00 0.00 179.24 174.55 1s6d n GLN 82 N -4.18 0.66 0.15 0.28 6.02 -1.24 -4.04 117.38 115.03 1s6d n GLN 82 Ca 0.30 0.38 0.12 0.00 -0.01 0.00 0.00 57.00 57.79 1s6d n GLN 82 Cb 1.40 -1.69 0.54 0.00 1.02 0.00 0.00 30.24 31.52 1s6d n GLN 82 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 1s6d n VAL 83 N -3.92 0.92 -0.06 5.09 0.24 -0.29 -2.29 118.33 118.01 1s6d n VAL 83 Ca -0.36 0.46 -0.12 0.00 -2.04 0.00 0.00 64.34 62.29 1s6d n VAL 83 Cb 0.88 -1.43 -0.05 0.00 -1.47 0.00 0.00 33.84 31.77 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 0.33 -0.11 7.34 2.86 0.30 0.39 114.93 126.04 1s6d h MET 84 Ca 0.00 -0.11 0.00 0.00 -2.06 0.00 0.00 59.70 57.53 1s6d h MET 84 Cb 0.20 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.83 1s6d h MET 84 CO 0.00 0.55 0.00 0.45 1.06 0.00 0.00 176.91 178.97 1s6d n SER 85 N -4.70 0.11 -0.01 1.22 2.88 -0.97 -2.72 113.62 109.42 1s6d n SER 85 Ca -0.05 -1.87 -0.03 0.00 -1.33 0.00 0.00 58.87 55.60 1s6d n SER 85 Cb 0.23 -0.06 -0.01 0.00 -0.75 0.00 0.00 64.21 63.62 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 -0.44 0.07 -0.13 -1.46 2.81 -0.86 -4.63 117.12 112.48 1s6d n MET 86 Ca 0.00 0.02 0.01 0.00 -1.81 0.00 0.00 57.70 55.92 1s6d n MET 86 Cb 0.03 -0.80 0.06 0.00 -0.71 0.00 0.00 33.22 31.80 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 -2.90 2.72 -0.03 3.04 0.00 0.13 -2.50 120.51 120.97 1s6d n ALA 87 Ca -0.06 -0.29 0.04 0.00 0.00 0.00 0.00 53.44 53.14 1s6d n ALA 87 Cb 0.55 -1.02 -0.13 0.00 0.00 0.00 0.00 19.45 18.84 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 0.10 0.00 -0.03 0.00 1.44 -1.10 -4.37 115.22 111.26 1s6d n HIS 88 Ca 0.04 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.76 1s6d n HIS 88 Cb 0.40 -0.52 -0.09 0.00 0.12 0.00 0.00 29.99 29.90 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 -2.25 2.15 0.02 4.39 5.03 -1.18 -3.98 115.26 119.44 1s6d n ASN 89 Ca -0.10 0.00 -0.11 0.00 0.87 0.00 0.00 54.58 55.24 1s6d n ASN 89 Cb 0.63 1.19 -0.06 0.00 -1.02 0.00 0.00 39.78 40.51 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 -0.08 -0.14 3.41 3.38 -1.74 0.24 115.31 120.39 1s6d h LEU 90 Ca -0.15 0.02 -0.23 0.00 0.09 0.00 0.00 57.88 57.60 1s6d h LEU 90 Cb 1.13 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1s6d h LEU 90 CO 0.01 -0.03 -0.98 1.55 0.09 0.00 0.00 178.44 179.07 1s6d h PRO 91 N -0.02 0.36 -0.49 1.13 0.13 -1.81 -3.15 132.00 128.14 1s6d h PRO 91 Ca 0.03 -0.42 0.01 0.00 -0.87 0.00 0.00 66.00 64.74 1s6d h PRO 91 Cb 0.06 0.13 -0.03 0.00 0.13 0.00 0.00 31.00 31.29 1s6d h PRO 91 CO -0.06 1.11 0.32 0.82 -0.23 0.00 0.00 178.00 179.96 1s6d h ILE 92 N 0.19 1.11 0.00 -3.56 2.04 -1.66 0.13 117.51 115.77 1s6d h ILE 92 Ca -0.09 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.55 1s6d h ILE 92 Cb 1.63 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 38.12 1s6d h ILE 92 CO 0.17 0.12 0.00 -0.33 0.00 0.00 0.00 178.15 178.11 1s6d h GLU 93 N 0.65 0.00 -0.20 2.37 5.08 -0.58 0.20 114.58 122.11 1s6d h GLU 93 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1s6d h GLU 93 Cb -0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.20 1s6d h GLU 93 CO -0.05 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 177.96 1s6d n ASN 95 N 0.46 -5.20 -0.03 0.00 4.05 0.71 -4.92 115.26 110.33 1s6d n ASN 95 Ca 0.16 0.09 -0.01 0.00 0.45 0.00 0.00 54.58 55.28 1s6d n ASN 95 Cb 0.36 -4.27 -0.00 0.00 1.23 0.00 0.00 39.78 37.09 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 -3.22 1.20 3.38 -0.90 -3.40 115.31 112.37 1s6d h LEU 96 Ca -0.41 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.54 1s6d h LEU 96 Cb 1.28 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.01 1s6d h LEU 96 CO 0.51 0.34 -0.01 1.15 0.09 0.00 0.00 178.44 180.51 1s6d n MET 97 N -3.68 2.46 -0.04 1.13 0.00 -0.91 -4.59 117.12 111.49 1s6d n MET 97 Ca -0.01 -2.84 -0.01 0.00 0.00 0.00 0.00 57.70 54.84 1s6d n MET 97 Cb 0.03 -1.78 -0.01 0.00 0.00 0.00 0.00 33.22 31.47 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 -0.77 -0.09 -2.71 3.17 7.64 -1.26 -4.21 113.62 115.38 1s6d n SER 98 Ca 0.22 0.95 -0.08 0.00 1.01 0.00 0.00 58.87 60.97 1s6d n SER 98 Cb 0.86 -0.42 0.10 0.00 -1.01 0.00 0.00 64.21 63.74 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 -3.10 1.16 0.04 1.43 7.27 -1.26 -4.98 117.38 117.94 1s6d n GLN 99 Ca 0.00 -2.09 -0.02 0.00 0.07 0.00 0.00 57.00 54.96 1s6d n GLN 99 Cb 0.02 -0.42 -0.01 0.00 2.41 0.00 0.00 30.24 32.25 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 2.33 -0.12 -6.24 3.69 0.13 -1.88 -3.43 132.00 126.48 1s6d h PRO 100 Ca -0.21 0.01 -0.56 0.00 -0.87 0.00 0.00 66.00 64.36 1s6d h PRO 100 Cb 1.24 0.03 -0.03 0.00 0.13 0.00 0.00 31.00 32.37 1s6d h PRO 100 CO 0.06 -0.08 0.78 0.00 -0.23 0.00 0.00 178.00 178.53 1s6d n GLN 102 N 5.80 0.93 0.00 0.00 1.13 -1.26 -4.60 117.38 119.37 1s6d n GLN 102 Ca 0.12 -2.92 0.00 0.00 -1.94 0.00 0.00 57.00 52.26 1s6d n GLN 102 Cb 0.46 0.97 0.00 0.00 0.11 0.00 0.00 30.24 31.78 1s6d n GLN 102 CO 0.00 0.00 0.00 -0.12 -1.44 0.00 0.00 177.06 175.50