#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 -0.16 0.00 0.54 4.11 -1.26 -4.83 117.16 115.56 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 0.28 0.00 0.00 -0.00 0.00 0.00 39.34 39.62 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 1.16 -1.82 1.64 -7.48 0.00 -1.26 -4.68 105.19 92.75 1s6d n GLY 3 Ca 0.00 0.80 -0.14 0.00 0.00 0.00 0.00 46.02 46.69 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 0.00 -1.58 -0.40 1.61 0.63 -1.26 -5.04 116.66 110.62 1s6d n ARG 4 Ca 0.00 -0.84 -0.29 0.00 -0.92 0.00 0.00 57.85 55.80 1s6d n ARG 4 Cb 0.00 -0.71 0.28 0.00 0.45 0.00 0.00 32.46 32.48 1s6d n ARG 4 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 1s6d s GLY 5 N -3.66 1.47 1.03 5.14 0.00 -1.26 -4.80 107.32 105.23 1s6d s GLY 5 Ca 0.33 -0.47 -0.15 0.00 0.00 0.00 0.00 44.72 44.43 1s6d s GLY 5 CO 0.25 0.41 1.15 1.09 0.00 0.00 0.00 173.10 176.00 1s6d s ARG 6 N -4.71 0.16 0.00 2.90 3.03 -1.26 -4.83 118.95 114.24 1s6d s ARG 6 Ca 0.69 0.12 0.00 0.00 2.03 0.00 0.00 55.73 58.56 1s6d s ARG 6 Cb -0.20 -1.74 0.00 0.00 -1.03 0.00 0.00 34.95 31.98 1s6d s ARG 6 CO 0.62 -2.82 0.00 0.25 -1.13 0.00 0.00 175.30 172.22 1s6d n THR 7 N -4.17 0.00 -1.10 4.99 -2.24 -1.26 -5.13 114.28 105.36 1s6d n THR 7 Ca 0.09 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.81 1s6d n THR 7 Cb 0.59 0.00 0.04 0.00 -2.10 0.00 0.00 70.33 68.86 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 0.00 -0.45 -0.14 -0.78 1.02 -1.26 -5.10 120.64 113.92 1s6d n GLU 8 Ca 0.00 -0.42 0.00 0.00 -0.02 0.00 0.00 57.16 56.72 1s6d n GLU 8 Cb 0.00 -0.29 0.00 0.00 -0.02 0.00 0.00 31.44 31.13 1s6d n GLU 8 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1s6d n SER 9 N -3.21 0.00 0.00 1.62 2.88 -1.26 -4.74 113.62 108.91 1s6d n SER 9 Ca 0.03 -0.38 0.00 0.00 -1.33 0.00 0.00 58.87 57.19 1s6d n SER 9 Cb 0.12 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.58 1s6d n SER 9 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1s6d n GLY 10 N 5.00 0.66 0.00 0.46 0.00 -1.26 -4.66 105.19 105.40 1s6d n GLY 10 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.32 1s6d n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s6d n TYR 12 N -1.78 0.99 -0.06 0.00 9.36 -1.26 0.52 117.16 124.93 1s6d n TYR 12 Ca 0.00 1.16 -0.07 0.00 3.32 0.00 0.00 57.90 62.31 1s6d n TYR 12 Cb 0.00 -1.46 -0.01 0.00 -0.63 0.00 0.00 39.34 37.24 1s6d n TYR 12 CO 0.00 0.00 0.00 0.37 0.22 0.00 0.00 176.86 177.45 1s6d h GLN 13 N 0.00 -0.09 0.00 2.98 5.75 -1.84 0.25 115.11 122.17 1s6d h GLN 13 Ca 0.76 0.01 -0.02 0.00 -0.15 0.00 0.00 58.65 59.25 1s6d h GLN 13 Cb 1.91 0.02 -0.00 0.00 1.07 0.00 0.00 27.48 30.48 1s6d h GLN 13 CO -0.80 -0.06 -0.10 -0.56 -2.65 0.00 0.00 178.83 174.67 1s6d h GLN 14 N -0.09 0.00 0.48 1.69 3.07 0.60 -3.12 115.11 117.74 1s6d h GLN 14 Ca 0.14 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.86 1s6d h GLN 14 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.87 1s6d h GLN 14 CO -0.32 0.10 -0.23 1.98 0.09 0.00 0.00 178.83 180.44 1s6d h MET 15 N 0.00 -0.62 -0.14 0.06 4.05 0.14 -2.14 114.93 116.28 1s6d h MET 15 Ca -0.00 0.04 0.04 0.00 -0.28 0.00 0.00 59.70 59.50 1s6d h MET 15 Cb 0.63 0.14 -0.01 0.00 -0.80 0.00 0.00 31.60 31.57 1s6d h MET 15 CO 0.01 -0.34 0.11 1.05 0.23 0.00 0.00 176.91 177.98 1s6d h GLU 16 N -1.08 0.00 0.00 0.39 4.11 -1.05 0.25 114.58 117.20 1s6d h GLU 16 Ca -0.07 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.32 1s6d h GLU 16 Cb 0.57 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 1s6d h GLU 16 CO 0.11 0.00 -0.21 1.49 0.07 0.00 0.00 179.01 180.47 1s6d h GLU 17 N 0.00 0.00 -0.71 1.06 4.81 -1.52 -3.20 114.58 115.02 1s6d h GLU 17 Ca 0.06 0.00 -0.48 0.00 -0.13 0.00 0.00 59.36 58.81 1s6d h GLU 17 Cb 0.29 0.00 -0.42 0.00 0.63 0.00 0.00 28.75 29.24 1s6d h GLU 17 CO -0.00 0.21 -0.89 0.00 -0.73 0.00 0.00 179.01 177.60 1s6d n ALA 18 N -2.17 4.47 -1.15 2.92 0.00 0.58 -5.04 120.51 120.13 1s6d n ALA 18 Ca 0.02 -3.57 -0.18 0.00 0.00 0.00 0.00 53.44 49.71 1s6d n ALA 18 Cb 0.53 -0.46 -0.17 0.00 0.00 0.00 0.00 19.45 19.35 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 -0.67 0.00 -0.06 0.00 0.28 0.43 -4.63 120.64 115.99 1s6d n GLU 19 Ca 0.35 0.00 -0.06 0.00 -0.16 0.00 0.00 57.16 57.29 1s6d n GLU 19 Cb 0.92 -0.80 -0.08 0.00 1.43 0.00 0.00 31.44 32.91 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 4.40 1.81 -0.23 3.44 0.00 -1.26 -4.17 117.12 121.12 1s6d n MET 20 Ca 0.52 0.01 0.04 0.00 0.00 0.00 0.00 57.70 58.27 1s6d n MET 20 Cb 0.10 -1.28 0.14 0.00 0.00 0.00 0.00 33.22 32.18 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 -2.51 2.04 0.02 3.17 4.77 -1.26 -3.47 117.00 119.76 1s6d n LEU 21 Ca -0.19 -1.03 -0.16 0.00 -0.03 0.00 0.00 56.01 54.60 1s6d n LEU 21 Cb 0.84 -0.35 -0.14 0.00 -2.33 0.00 0.00 43.42 41.43 1s6d n LEU 21 CO 0.21 0.38 -0.56 0.78 -1.33 0.00 0.00 177.39 176.87 1s6d h ASN 22 N 1.57 0.28 0.19 -1.43 4.21 -1.92 -3.19 115.58 115.28 1s6d h ASN 22 Ca 0.00 -0.52 -0.01 0.00 1.21 0.00 0.00 56.30 56.98 1s6d h ASN 22 Cb 0.67 -0.09 0.00 0.00 -1.12 0.00 0.00 38.32 37.78 1s6d h ASN 22 CO 0.08 1.46 -0.09 0.45 -1.29 0.00 0.00 177.43 178.04 1s6d h HIS 23 N 0.05 -0.24 -0.78 1.19 3.86 -1.81 -2.02 115.15 115.41 1s6d h HIS 23 Ca -0.32 -0.01 0.23 0.00 -1.16 0.00 0.00 60.37 59.11 1s6d h HIS 23 Cb 2.02 0.08 -0.03 0.00 1.06 0.00 0.00 27.41 30.54 1s6d h HIS 23 CO 0.05 -0.02 0.69 0.00 0.86 0.00 0.00 177.93 179.50 1s6d h GLY 25 N 0.00 0.24 0.11 0.00 0.00 -1.53 -3.19 103.07 98.70 1s6d h GLY 25 Ca 0.37 -0.31 0.19 0.00 0.00 0.00 0.00 47.33 47.58 1s6d h GLY 25 CO -0.00 0.28 0.61 1.98 0.00 0.00 0.00 176.54 179.41 1s6d h MET 26 N -0.30 0.73 -0.74 4.80 4.05 0.39 0.47 114.93 124.34 1s6d h MET 26 Ca -0.01 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.37 1s6d h MET 26 Cb 0.80 -0.17 -0.04 0.00 -0.80 0.00 0.00 31.60 31.40 1s6d h MET 26 CO 0.04 0.48 0.47 -0.92 0.23 0.00 0.00 176.91 177.22 1s6d h TYR 27 N 0.75 0.94 -0.00 1.39 5.03 -1.47 0.51 116.97 124.12 1s6d h TYR 27 Ca 0.58 0.01 -0.22 0.00 2.58 0.00 0.00 58.73 61.69 1s6d h TYR 27 Cb 0.92 -0.31 -0.00 0.00 1.55 0.00 0.00 36.73 38.88 1s6d h TYR 27 CO -0.01 0.60 -0.92 -0.07 -1.32 0.00 0.00 178.16 176.45 1s6d h LEU 28 N 1.00 0.48 -1.62 2.82 3.38 -0.75 -3.13 115.31 117.48 1s6d h LEU 28 Ca 0.27 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1s6d h LEU 28 Cb -0.09 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.51 1s6d h LEU 28 CO -0.06 1.18 0.00 0.80 0.09 0.00 0.00 178.44 180.45 1s6d n MET 29 N -3.73 2.16 0.06 1.13 1.56 0.14 -3.70 117.12 114.73 1s6d n MET 29 Ca -0.06 -1.42 0.11 0.00 -0.27 0.00 0.00 57.70 56.06 1s6d n MET 29 Cb 0.83 -1.44 -0.01 0.00 2.15 0.00 0.00 33.22 34.74 1s6d n MET 29 CO 0.00 0.00 0.00 1.63 -0.73 0.00 0.00 175.97 176.87 1s6d n LYS 30 N 0.54 0.50 0.00 2.12 5.02 0.17 -3.93 118.16 122.57 1s6d n LYS 30 Ca 0.13 0.02 0.03 0.00 -2.02 0.00 0.00 58.31 56.47 1s6d n LYS 30 Cb 0.42 -1.69 0.01 0.00 -0.02 0.00 0.00 35.03 33.75 1s6d n LYS 30 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1s6d n ASN 31 N -2.34 1.06 -3.78 4.39 5.15 -1.24 -4.83 115.26 113.67 1s6d n ASN 31 Ca 0.00 -1.03 -0.42 0.00 -0.60 0.00 0.00 54.58 52.53 1s6d n ASN 31 Cb 0.51 0.36 -0.00 0.00 -0.53 0.00 0.00 39.78 40.12 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 -0.18 6.65 -4.06 1.20 4.77 -1.24 -4.87 117.00 119.27 1s6d n LEU 32 Ca 0.03 -4.08 -0.21 0.00 -0.03 0.00 0.00 56.01 51.71 1s6d n LEU 32 Cb 0.13 -1.65 -0.15 0.00 -2.33 0.00 0.00 43.42 39.42 1s6d n LEU 32 CO 0.06 1.00 -0.46 -0.83 -1.33 0.00 0.00 177.39 175.83 1s6d s GLY 33 N 3.33 0.62 -0.92 -0.72 0.00 -1.26 -5.00 107.32 103.37 1s6d s GLY 33 Ca 0.48 -0.48 -0.04 0.00 0.00 0.00 0.00 44.72 44.68 1s6d s GLY 33 CO -0.07 -0.30 2.44 -2.21 0.00 0.00 0.00 173.10 172.96 1s6d n GLU 34 N 3.02 3.71 0.08 2.90 2.13 -1.26 -4.14 120.64 127.07 1s6d n GLU 34 Ca -0.16 -3.18 0.00 0.00 0.66 0.00 0.00 57.16 54.48 1s6d n GLU 34 Cb 0.55 -2.40 0.00 0.00 0.27 0.00 0.00 31.44 29.86 1s6d n GLU 34 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 1s6d n ARG 35 N 1.00 0.00 -4.18 5.31 0.63 -1.26 -5.10 116.66 113.06 1s6d n ARG 35 Ca 0.55 0.00 -0.33 0.00 -0.92 0.00 0.00 57.85 57.15 1s6d n ARG 35 Cb 0.36 -0.10 -0.08 0.00 0.45 0.00 0.00 32.46 33.10 1s6d n ARG 35 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1s6d s SER 36 N -5.11 5.42 -0.47 6.15 0.15 -1.26 -5.08 113.70 113.49 1s6d s SER 36 Ca 0.00 0.07 -0.13 0.00 0.70 0.00 0.00 55.95 56.59 1s6d s SER 36 Cb 0.00 -1.49 0.10 0.00 -1.71 0.00 0.00 66.02 62.92 1s6d s SER 36 CO 0.00 0.27 0.37 -1.10 1.20 0.00 0.00 173.24 173.98 1s6d s GLN 37 N -1.69 2.79 0.06 5.44 -0.21 -1.26 -4.85 119.66 119.94 1s6d s GLN 37 Ca 0.22 -1.54 -0.19 0.00 0.02 0.00 0.00 55.36 53.87 1s6d s GLN 37 Cb -0.12 -4.04 0.04 0.00 1.00 0.00 0.00 33.01 29.90 1s6d s GLN 37 CO 0.13 -1.11 0.44 0.54 -2.12 0.00 0.00 175.29 173.16 1s6d s VAL 38 N 1.52 0.05 -0.46 1.09 0.11 -1.26 -5.11 120.40 116.35 1s6d s VAL 38 Ca 0.04 -0.42 0.06 0.00 -2.93 0.00 0.00 61.98 58.73 1s6d s VAL 38 Cb -0.26 -0.99 0.22 0.00 -1.53 0.00 0.00 36.38 33.82 1s6d s VAL 38 CO 0.03 -0.23 0.49 -0.24 -3.33 0.00 0.00 175.10 171.82 1s6d n SER 39 N 0.36 0.64 -4.57 3.54 2.88 -1.26 -5.05 113.62 110.17 1s6d n SER 39 Ca -0.18 -2.72 -0.31 0.00 -1.33 0.00 0.00 58.87 54.33 1s6d n SER 39 Cb 0.61 -0.62 -0.05 0.00 -0.75 0.00 0.00 64.21 63.40 1s6d n SER 39 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1s6d s PRO 40 N -0.96 2.85 0.08 -1.46 0.04 -1.26 -4.84 135.00 129.45 1s6d s PRO 40 Ca 0.34 -0.77 -0.24 0.00 0.04 0.00 0.00 61.00 60.37 1s6d s PRO 40 Cb 0.11 -5.20 -0.09 0.00 0.04 0.00 0.00 34.50 29.36 1s6d s PRO 40 CO -0.13 -3.20 1.40 -0.09 0.04 0.00 0.00 177.00 175.01 1s6d h ARG 41 N 10.38 -0.42 -3.14 4.56 2.43 -2.03 -3.43 114.38 122.73 1s6d h ARG 41 Ca 0.17 0.03 -0.21 0.00 -0.81 0.00 0.00 59.98 59.16 1s6d h ARG 41 Cb 0.98 0.09 -0.30 0.00 -0.42 0.00 0.00 29.97 30.33 1s6d h ARG 41 CO 1.27 -0.28 -0.53 -1.64 -1.51 0.00 0.00 179.97 177.29 1s6d s MET 42 N -4.94 0.17 0.00 0.20 -1.94 -1.26 -4.92 119.30 106.60 1s6d s MET 42 Ca -0.11 0.43 0.00 0.00 -1.71 0.00 0.00 55.69 54.30 1s6d s MET 42 Cb 0.05 -0.11 0.00 0.00 2.01 0.00 0.00 34.83 36.78 1s6d s MET 42 CO 0.44 -0.14 0.00 2.89 -0.01 0.00 0.00 175.02 178.19 1s6d n ARG 43 N 4.03 0.00 -0.96 2.03 1.85 -1.26 -5.15 116.66 117.19 1s6d n ARG 43 Ca -0.24 0.00 -0.36 0.00 -1.00 0.00 0.00 57.85 56.26 1s6d n ARG 43 Cb 0.53 0.00 0.06 0.00 -1.05 0.00 0.00 32.46 32.00 1s6d n ARG 43 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 177.63 175.71 1s6d n GLU 44 N 0.00 -0.08 -0.62 2.89 4.07 -1.26 -4.88 120.64 120.75 1s6d n GLU 44 Ca 0.00 -0.02 -0.23 0.00 -0.06 0.00 0.00 57.16 56.85 1s6d n GLU 44 Cb 0.00 -1.15 0.14 0.00 -0.06 0.00 0.00 31.44 30.36 1s6d n GLU 44 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 1s6d n GLU 45 N 1.72 -1.77 -2.17 5.31 0.00 -1.26 -4.69 120.64 117.78 1s6d n GLU 45 Ca -0.01 -0.52 -0.31 0.00 0.00 0.00 0.00 57.16 56.32 1s6d n GLU 45 Cb 0.58 -1.47 -0.05 0.00 0.00 0.00 0.00 31.44 30.50 1s6d n GLU 45 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73 1s6d n ASP 46 N -0.73 3.47 -3.45 4.31 5.75 -1.26 -4.75 116.55 119.90 1s6d n ASP 46 Ca 0.03 -2.75 -0.28 0.00 -0.01 0.00 0.00 54.79 51.79 1s6d n ASP 46 Cb 0.46 -1.74 -0.11 0.00 -1.03 0.00 0.00 41.12 38.70 1s6d n ASP 46 CO 0.00 0.00 0.00 -1.00 -0.11 0.00 0.00 177.20 176.09 1s6d s HIS 47 N 9.57 1.07 0.25 2.11 3.76 -1.26 -4.91 115.29 125.87 1s6d s HIS 47 Ca 0.65 -2.10 0.00 0.00 -0.15 0.00 0.00 55.06 53.46 1s6d s HIS 47 Cb 0.01 -1.02 0.00 0.00 1.11 0.00 0.00 32.58 32.68 1s6d s HIS 47 CO 0.12 -0.82 0.00 1.63 -0.85 0.00 0.00 174.74 174.83 1s6d n LYS 48 N 3.30 0.00 0.17 1.40 4.01 -1.26 -4.56 118.16 121.21 1s6d n LYS 48 Ca 0.22 0.00 0.18 0.00 -0.51 0.00 0.00 58.31 58.20 1s6d n LYS 48 Cb 0.43 0.00 0.71 0.00 -0.51 0.00 0.00 35.03 35.66 1s6d n LYS 48 CO 0.00 0.00 0.00 1.96 -1.11 0.00 0.00 177.40 178.25 1s6d h GLN 49 N 0.00 0.00 0.04 1.97 4.20 -1.96 0.20 115.11 119.57 1s6d h GLN 49 Ca 0.00 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.73 1s6d h GLN 49 Cb 0.00 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.75 1s6d h GLN 49 CO 0.00 0.00 -0.17 -0.07 -0.67 0.00 0.00 178.83 177.92 1s6d h LEU 50 N 0.00 -0.48 -0.63 1.46 3.38 -1.91 0.69 115.31 117.82 1s6d h LEU 50 Ca 0.14 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.14 1s6d h LEU 50 Cb 1.11 0.19 -0.03 0.00 0.09 0.00 0.00 40.66 42.03 1s6d h LEU 50 CO -0.00 -0.23 0.27 0.00 0.09 0.00 0.00 178.44 178.57 1s6d h MET 53 N 0.00 0.00 0.00 0.00 -1.53 0.23 -3.31 114.93 110.33 1s6d h MET 53 Ca 0.00 0.00 -0.04 0.00 -3.44 0.00 0.00 59.70 56.22 1s6d h MET 53 Cb 0.13 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 31.17 1s6d h MET 53 CO 0.00 0.00 -0.18 1.96 0.14 0.00 0.00 176.91 178.83 1s6d h GLN 54 N -0.10 0.00 -0.41 0.39 7.50 -1.51 -1.51 115.11 119.47 1s6d h GLN 54 Ca 0.00 0.00 0.12 0.00 0.50 0.00 0.00 58.65 59.27 1s6d h GLN 54 Cb 0.02 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 27.53 1s6d h GLN 54 CO 0.00 0.18 0.29 -0.07 -1.50 0.00 0.00 178.83 177.74 1s6d h LEU 55 N 0.00 0.00 -1.14 1.46 3.38 -1.50 0.58 115.31 118.09 1s6d h LEU 55 Ca -0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 1s6d h LEU 55 Cb 0.39 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1s6d h LEU 55 CO 0.02 0.00 -0.35 0.50 0.09 0.00 0.00 178.44 178.71 1s6d h LYS 56 N 0.00 0.00 0.00 1.13 3.64 -1.35 -2.02 116.57 117.97 1s6d h LYS 56 Ca 0.19 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.55 1s6d h LYS 56 Cb 0.78 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.59 1s6d h LYS 56 CO -0.00 0.35 -0.09 -0.91 -2.27 0.00 0.00 179.45 176.52 1s6d h ASN 57 N 0.00 0.00 -4.32 4.20 2.35 0.07 -3.46 115.58 114.42 1s6d h ASN 57 Ca -0.00 0.00 -0.46 0.00 -0.55 0.00 0.00 56.30 55.28 1s6d h ASN 57 Cb 0.77 0.00 0.12 0.00 0.05 0.00 0.00 38.32 39.27 1s6d h ASN 57 CO 0.05 0.09 0.32 -0.76 -1.65 0.00 0.00 177.43 175.48 1s6d s LEU 58 N -6.30 2.12 0.07 1.61 1.43 -0.76 -5.03 118.68 111.82 1s6d s LEU 58 Ca 0.05 0.93 -0.25 0.00 -1.03 0.00 0.00 54.13 53.83 1s6d s LEU 58 Cb 0.07 -3.30 -0.06 0.00 0.03 0.00 0.00 46.19 42.93 1s6d s LEU 58 CO 0.65 -2.41 0.77 -0.62 0.23 0.00 0.00 176.35 174.96 1s6d s ASP 59 N -4.13 7.25 0.42 2.29 -1.08 -1.26 -4.92 116.67 115.23 1s6d s ASP 59 Ca 0.63 1.49 0.18 0.00 -0.52 0.00 0.00 52.55 54.33 1s6d s ASP 59 Cb -0.14 -2.47 1.09 0.00 -1.46 0.00 0.00 42.92 39.93 1s6d s ASP 59 CO 0.52 0.06 1.87 -0.08 0.52 0.00 0.00 175.17 178.06 1s6d h GLU 60 N 5.36 0.39 -0.13 4.34 4.22 -1.92 0.79 114.58 127.62 1s6d h GLU 60 Ca -0.45 -0.02 -0.17 0.00 0.08 0.00 0.00 59.36 58.80 1s6d h GLU 60 Cb 1.21 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 1s6d h GLU 60 CO 0.70 0.26 -0.63 0.87 -2.18 0.00 0.00 179.01 178.03 1s6d h LYS 61 N 0.40 0.47 0.00 1.92 1.57 -1.92 -2.15 116.57 116.86 1s6d h LYS 61 Ca 0.45 -0.33 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1s6d h LYS 61 Cb 1.13 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.49 1s6d h LYS 61 CO -0.16 0.95 0.00 0.00 -0.57 0.00 0.00 179.45 179.66 1s6d n MET 63 N -1.81 3.84 0.00 0.00 2.81 0.14 -2.22 117.12 119.87 1s6d n MET 63 Ca 0.05 -3.33 0.00 0.00 -1.81 0.00 0.00 57.70 52.61 1s6d n MET 63 Cb 0.31 -2.86 0.00 0.00 -0.71 0.00 0.00 33.22 29.96 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 0.00 0.06 0.00 0.13 -1.71 -3.23 132.00 127.25 1s6d h PRO 65 Ca 0.00 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.95 1s6d h PRO 65 Cb 0.00 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.15 1s6d h PRO 65 CO 0.00 0.66 -0.73 0.00 -0.23 0.00 0.00 178.00 177.70 1s6d h ALA 66 N 1.34 0.01 -0.98 -0.56 0.00 -1.74 -3.26 119.26 114.07 1s6d h ALA 66 Ca -0.01 -0.63 0.36 0.00 0.00 0.00 0.00 54.91 54.63 1s6d h ALA 66 Cb 1.24 0.06 -0.18 0.00 0.00 0.00 0.00 17.79 18.92 1s6d h ALA 66 CO 0.09 0.39 0.34 -0.89 0.00 0.00 0.00 179.25 179.18 1s6d n ILE 67 N -4.15 -0.41 0.22 0.00 2.08 -1.22 0.25 119.36 116.13 1s6d n ILE 67 Ca -0.12 2.04 -0.14 0.00 0.56 0.00 0.00 62.75 65.10 1s6d n ILE 67 Cb 0.75 -3.19 -0.07 0.00 -0.75 0.00 0.00 39.64 36.38 1s6d n ILE 67 CO 0.00 0.00 0.00 0.24 0.56 0.00 0.00 176.55 177.35 1s6d h MET 68 N 0.00 -0.73 -0.14 0.38 2.86 -1.67 -1.89 114.93 113.75 1s6d h MET 68 Ca 0.74 0.05 0.04 0.00 -2.06 0.00 0.00 59.70 58.47 1s6d h MET 68 Cb 1.85 0.17 -0.01 0.00 0.06 0.00 0.00 31.60 33.67 1s6d h MET 68 CO -0.81 -0.49 0.19 0.52 1.06 0.00 0.00 176.91 177.38 1s6d h MET 69 N -0.76 0.00 -0.92 1.72 2.86 -0.33 0.07 114.93 117.57 1s6d h MET 69 Ca -0.05 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.59 1s6d h MET 69 Cb 0.65 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.27 1s6d h MET 69 CO -0.04 0.00 0.55 1.98 1.06 0.00 0.00 176.91 180.45 1s6d h MET 70 N 0.00 1.25 -0.90 1.72 -1.53 0.03 -1.68 114.93 113.83 1s6d h MET 70 Ca 0.07 -0.12 -0.47 0.00 -3.44 0.00 0.00 59.70 55.74 1s6d h MET 70 Cb 0.44 -0.26 -0.28 0.00 -0.55 0.00 0.00 31.60 30.95 1s6d h MET 70 CO -0.00 0.88 0.55 1.28 0.14 0.00 0.00 176.91 179.76 1s6d n LEU 71 N -4.37 6.37 0.00 3.39 4.77 -0.00 -4.20 117.00 122.95 1s6d n LEU 71 Ca 0.10 -3.65 0.00 0.00 -0.03 0.00 0.00 56.01 52.43 1s6d n LEU 71 Cb 0.06 -0.81 0.00 0.00 -2.33 0.00 0.00 43.42 40.34 1s6d n LEU 71 CO 0.38 1.10 0.33 0.59 -1.33 0.00 0.00 177.39 178.45 1s6d n ASN 72 N -1.14 0.92 -2.82 -1.43 5.03 -0.64 -4.47 115.26 110.70 1s6d n ASN 72 Ca 0.56 -1.40 -0.12 0.00 0.87 0.00 0.00 54.58 54.48 1s6d n ASN 72 Cb 1.56 0.00 0.08 0.00 -1.02 0.00 0.00 39.78 40.41 1s6d n ASN 72 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1s6d n GLU 73 N -0.20 -0.49 -0.44 3.52 1.02 -1.19 -4.87 120.64 117.99 1s6d n GLU 73 Ca 0.00 -0.89 -0.03 0.00 -0.02 0.00 0.00 57.16 56.22 1s6d n GLU 73 Cb 0.32 -0.56 -0.04 0.00 -0.02 0.00 0.00 31.44 31.14 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 -2.16 0.88 -0.48 3.49 -0.04 -1.26 -2.51 135.00 132.92 1s6d n PRO 74 Ca 0.07 -0.26 -0.01 0.00 -0.04 0.00 0.00 63.50 63.26 1s6d n PRO 74 Cb 0.24 -1.46 -0.01 0.00 -0.04 0.00 0.00 33.50 32.24 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 2.12 0.00 -3.18 0.54 1.56 -1.26 -5.08 117.12 111.82 1s6d n MET 75 Ca 0.11 -0.17 0.01 0.00 -0.27 0.00 0.00 57.70 57.38 1s6d n MET 75 Cb 0.42 0.35 -0.01 0.00 2.15 0.00 0.00 33.22 36.13 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 -1.69 0.00 1.12 0.52 -1.04 -4.94 118.94 112.91 1s6d s TRP 76 Ca 0.00 0.22 0.00 0.00 0.02 0.00 0.00 56.10 56.34 1s6d s TRP 76 Cb 0.00 0.31 0.00 0.00 -1.15 0.00 0.00 33.47 32.63 1s6d s TRP 76 CO 0.00 -1.15 0.00 -0.89 0.02 0.00 0.00 176.95 174.93 1s6d n ILE 77 N 4.34 0.00 0.01 2.03 -0.00 -1.26 -3.86 119.36 120.62 1s6d n ILE 77 Ca 0.11 0.00 -0.12 0.00 -0.00 0.00 0.00 62.75 62.74 1s6d n ILE 77 Cb 0.57 0.00 -0.09 0.00 -0.00 0.00 0.00 39.64 40.12 1s6d n ILE 77 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.55 176.63 1s6d h ARG 78 N 0.00 -0.11 -1.03 0.38 0.11 -1.98 -3.15 114.38 108.60 1s6d h ARG 78 Ca 0.00 0.01 0.26 0.00 0.10 0.00 0.00 59.98 60.34 1s6d h ARG 78 Cb 0.00 0.02 -0.10 0.00 1.11 0.00 0.00 29.97 31.01 1s6d h ARG 78 CO 0.00 0.43 0.65 0.00 0.10 0.00 0.00 179.97 181.16 1s6d h MET 79 N -0.79 0.42 -1.08 0.08 -0.00 -1.97 0.46 114.93 112.04 1s6d h MET 79 Ca -0.01 -0.03 0.31 0.00 -0.00 0.00 0.00 59.70 59.98 1s6d h MET 79 Cb 0.59 -0.10 -0.04 0.00 -0.00 0.00 0.00 31.60 32.05 1s6d h MET 79 CO 0.02 0.28 0.83 -0.09 -0.00 0.00 0.00 176.91 177.95 1s6d h ARG 80 N 0.44 0.00 -0.30 -0.10 2.43 -1.88 -2.95 114.38 112.03 1s6d h ARG 80 Ca 0.60 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.79 1s6d h ARG 80 Cb 1.43 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.94 1s6d h ARG 80 CO -0.32 0.00 -0.17 -3.47 -1.51 0.00 0.00 179.97 174.50 1s6d n ASP 81 N -4.04 -0.31 0.00 -3.80 -0.08 0.16 0.11 116.55 108.59 1s6d n ASP 81 Ca 0.23 0.53 0.00 0.00 -1.51 0.00 0.00 54.79 54.04 1s6d n ASP 81 Cb 1.19 -0.07 0.00 0.00 2.34 0.00 0.00 41.12 44.58 1s6d n ASP 81 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1s6d n GLN 82 N -4.37 0.00 -0.15 -0.67 3.00 -1.11 -3.16 117.38 110.91 1s6d n GLN 82 Ca 0.01 0.15 0.13 0.00 -0.01 0.00 0.00 57.00 57.28 1s6d n GLN 82 Cb 0.08 -0.94 0.24 0.00 0.00 0.00 0.00 30.24 29.61 1s6d n GLN 82 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.06 178.61 1s6d n VAL 83 N -0.95 -0.20 0.00 5.09 3.14 -0.92 -0.57 118.33 123.93 1s6d n VAL 83 Ca 0.00 0.97 0.00 0.00 -2.96 0.00 0.00 64.34 62.35 1s6d n VAL 83 Cb 0.00 -1.53 0.00 0.00 -1.06 0.00 0.00 33.84 31.25 1s6d n VAL 83 CO 0.00 0.00 0.00 0.80 -6.46 0.00 0.00 176.83 171.17 1s6d n MET 84 N -4.17 0.00 -0.29 1.45 0.00 0.31 0.74 117.12 115.15 1s6d n MET 84 Ca 0.16 0.62 -0.02 0.00 0.00 0.00 0.00 57.70 58.46 1s6d n MET 84 Cb 0.54 -1.06 -0.03 0.00 0.00 0.00 0.00 33.22 32.67 1s6d n MET 84 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 1s6d n SER 85 N -1.73 2.20 0.00 6.12 2.88 0.27 -2.09 113.62 121.27 1s6d n SER 85 Ca 0.00 -1.71 0.00 0.00 -1.33 0.00 0.00 58.87 55.83 1s6d n SER 85 Cb 0.00 -0.52 0.00 0.00 -0.75 0.00 0.00 64.21 62.94 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 2.19 0.00 0.00 -1.46 2.00 -0.15 -4.86 117.12 114.84 1s6d n MET 86 Ca 0.07 0.00 0.10 0.00 0.00 0.00 0.00 57.70 57.87 1s6d n MET 86 Cb 0.28 -0.06 0.54 0.00 0.00 0.00 0.00 33.22 33.97 1s6d n MET 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1s6d n ALA 87 N -1.36 2.11 0.53 3.04 0.00 0.23 0.45 120.51 125.51 1s6d n ALA 87 Ca 0.00 -0.10 0.11 0.00 0.00 0.00 0.00 53.44 53.45 1s6d n ALA 87 Cb 0.00 -1.34 -0.09 0.00 0.00 0.00 0.00 19.45 18.02 1s6d n ALA 87 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1s6d n HIS 88 N -1.27 0.10 -0.00 0.00 8.25 -1.22 -4.11 115.22 116.96 1s6d n HIS 88 Ca 0.10 0.03 0.04 0.00 -0.26 0.00 0.00 57.72 57.63 1s6d n HIS 88 Cb 0.16 -0.31 -0.06 0.00 1.12 0.00 0.00 29.99 30.90 1s6d n HIS 88 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1s6d n ASN 89 N -1.90 3.28 0.07 0.41 5.03 -0.53 -3.94 115.26 117.68 1s6d n ASN 89 Ca 0.01 0.00 -0.13 0.00 0.87 0.00 0.00 54.58 55.33 1s6d n ASN 89 Cb 0.44 1.34 -0.09 0.00 -1.02 0.00 0.00 39.78 40.46 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 -0.14 -0.17 3.41 3.38 -0.19 -0.82 115.31 120.78 1s6d h LEU 90 Ca -0.00 -0.26 -0.23 0.00 0.09 0.00 0.00 57.88 57.48 1s6d h LEU 90 Cb 0.35 0.04 0.01 0.00 0.09 0.00 0.00 40.66 41.15 1s6d h LEU 90 CO 0.00 0.19 -0.82 1.55 0.09 0.00 0.00 178.44 179.45 1s6d h PRO 91 N -0.48 0.71 -0.51 1.13 0.13 -1.81 -3.21 132.00 127.96 1s6d h PRO 91 Ca -0.02 -0.62 0.01 0.00 -0.87 0.00 0.00 66.00 64.51 1s6d h PRO 91 Cb 0.39 0.14 -0.03 0.00 0.13 0.00 0.00 31.00 31.63 1s6d h PRO 91 CO 0.03 1.22 0.33 0.82 -0.23 0.00 0.00 178.00 180.17 1s6d h ILE 92 N 0.47 1.11 0.00 -3.56 2.04 -1.68 0.16 117.51 116.06 1s6d h ILE 92 Ca -0.06 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.57 1s6d h ILE 92 Cb 1.45 0.38 0.00 0.00 -0.74 0.00 0.00 36.82 37.91 1s6d h ILE 92 CO 0.16 0.12 0.00 -0.33 0.00 0.00 0.00 178.15 178.11 1s6d h GLU 93 N 0.67 0.00 0.00 2.37 5.08 -1.18 0.49 114.58 122.02 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 -0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1s6d h GLU 93 CO -0.05 0.00 -1.12 0.00 -1.00 0.00 0.00 179.01 176.84 1s6d n ASN 95 N -1.97 -1.53 -0.02 0.00 4.05 0.17 -4.99 115.26 110.97 1s6d n ASN 95 Ca 0.01 0.00 -0.07 0.00 0.45 0.00 0.00 54.58 54.97 1s6d n ASN 95 Cb 0.44 -0.31 -0.06 0.00 1.23 0.00 0.00 39.78 41.08 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 -0.07 -2.91 1.20 3.38 -0.95 -3.39 115.31 112.57 1s6d h LEU 96 Ca 0.00 -0.40 -0.01 0.00 0.09 0.00 0.00 57.88 57.57 1s6d h LEU 96 Cb 0.16 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1s6d h LEU 96 CO 0.00 0.60 -0.18 1.15 0.09 0.00 0.00 178.44 180.10 1s6d n MET 97 N -4.78 1.20 0.00 1.13 0.00 -1.10 -4.52 117.12 109.06 1s6d n MET 97 Ca -0.05 -2.58 0.00 0.00 0.00 0.00 0.00 57.70 55.07 1s6d n MET 97 Cb 0.22 -1.39 0.00 0.00 0.00 0.00 0.00 33.22 32.05 1s6d n MET 97 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 1s6d n SER 98 N -1.19 0.00 -2.72 3.17 3.41 -1.26 -4.24 113.62 110.78 1s6d n SER 98 Ca 0.15 0.60 -0.08 0.00 -0.26 0.00 0.00 58.87 59.28 1s6d n SER 98 Cb 0.67 -0.28 0.10 0.00 -0.26 0.00 0.00 64.21 64.44 1s6d n SER 98 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 1s6d n GLN 99 N -2.45 1.10 0.11 4.33 7.27 -1.26 -4.98 117.38 121.50 1s6d n GLN 99 Ca 0.00 -1.93 -0.05 0.00 0.07 0.00 0.00 57.00 55.09 1s6d n GLN 99 Cb 0.00 -0.62 -0.02 0.00 2.41 0.00 0.00 30.24 32.00 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 2.57 -0.31 0.00 3.69 0.13 -1.89 -3.46 132.00 132.73 1s6d h PRO 100 Ca -0.17 0.02 -0.15 0.00 -0.87 0.00 0.00 66.00 64.83 1s6d h PRO 100 Cb 1.18 0.07 0.07 0.00 0.13 0.00 0.00 31.00 32.46 1s6d h PRO 100 CO 0.06 -0.21 0.07 0.00 -0.23 0.00 0.00 178.00 177.69 1s6d n GLN 102 N -2.57 0.81 0.00 0.00 1.13 -1.26 -5.08 117.38 110.40 1s6d n GLN 102 Ca 0.06 -2.91 0.00 0.00 -1.94 0.00 0.00 57.00 52.21 1s6d n GLN 102 Cb 0.22 1.21 0.00 0.00 0.11 0.00 0.00 30.24 31.77 1s6d n GLN 102 CO 0.00 0.00 0.00 -0.12 -1.44 0.00 0.00 177.06 175.50