#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 -1.68 0.54 4.11 -1.26 -5.06 117.16 113.81 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 -0.69 0.00 0.00 -0.00 0.00 0.00 39.34 38.65 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 1.71 -4.94 0.55 -7.48 0.00 -1.26 -4.95 105.19 88.82 1s6d n GLY 3 Ca -0.18 -0.41 0.06 0.00 0.00 0.00 0.00 46.02 45.49 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 1.05 1.35 -3.15 1.61 0.63 -1.26 -4.97 116.66 111.91 1s6d n ARG 4 Ca 0.00 -1.49 -0.22 0.00 -0.92 0.00 0.00 57.85 55.22 1s6d n ARG 4 Cb 0.00 -1.25 0.05 0.00 0.45 0.00 0.00 32.46 31.71 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 0.66 -0.46 2.19 5.14 0.00 -1.26 -4.84 105.19 106.62 1s6d n GLY 5 Ca 0.09 0.12 -0.10 0.00 0.00 0.00 0.00 46.02 46.13 1s6d n GLY 5 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1s6d n ARG 6 N -4.14 1.51 -3.26 1.61 1.85 -1.26 -4.77 116.66 108.19 1s6d n ARG 6 Ca -0.07 -0.79 -0.09 0.00 -1.00 0.00 0.00 57.85 55.89 1s6d n ARG 6 Cb 0.60 -1.92 -0.01 0.00 -1.05 0.00 0.00 32.46 30.08 1s6d n ARG 6 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 1s6d n THR 7 N 2.78 0.00 -3.30 8.89 -2.24 -1.26 -5.19 114.28 113.96 1s6d n THR 7 Ca 0.32 -1.12 -0.15 0.00 -2.27 0.00 0.00 64.05 60.83 1s6d n THR 7 Cb 0.59 0.79 0.03 0.00 -2.10 0.00 0.00 70.33 69.64 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 -0.42 0.82 -0.73 -0.78 -0.58 -1.26 -5.12 120.64 112.56 1s6d n GLU 8 Ca -0.02 -2.17 -0.28 0.00 -0.42 0.00 0.00 57.16 54.27 1s6d n GLU 8 Cb 0.44 -0.01 0.23 0.00 -0.57 0.00 0.00 31.44 31.54 1s6d n GLU 8 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1s6d s SER 9 N -3.31 1.37 0.00 1.62 1.04 -1.26 -4.80 113.70 108.36 1s6d s SER 9 Ca 0.33 1.38 0.00 0.00 0.48 0.00 0.00 55.95 58.15 1s6d s SER 9 Cb -0.03 -2.14 0.00 0.00 0.10 0.00 0.00 66.02 63.95 1s6d s SER 9 CO 0.21 -3.94 0.00 0.61 0.98 0.00 0.00 173.24 171.10 1s6d n GLY 10 N 0.22 0.45 0.13 7.32 0.00 -1.26 -4.83 105.19 107.22 1s6d n GLY 10 Ca 0.03 -0.10 0.10 0.00 0.00 0.00 0.00 46.02 46.06 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 0.80 -0.56 0.00 3.20 -1.89 -3.09 116.97 115.42 1s6d h TYR 12 Ca 0.00 -0.58 -0.02 0.00 3.14 0.00 0.00 58.73 61.27 1s6d h TYR 12 Cb 0.19 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.40 1s6d h TYR 12 CO 0.00 1.57 0.28 0.37 -1.64 0.00 0.00 178.16 178.73 1s6d h GLN 13 N 0.02 0.81 -0.04 1.82 4.15 -1.67 -2.06 115.11 118.13 1s6d h GLN 13 Ca -0.27 -0.12 -0.08 0.00 0.77 0.00 0.00 58.65 58.95 1s6d h GLN 13 Cb 2.04 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 29.57 1s6d h GLN 13 CO 0.21 0.66 -0.36 -0.56 -1.93 0.00 0.00 178.83 176.84 1s6d h GLN 14 N 0.76 0.09 -0.27 1.69 3.07 -1.66 -3.17 115.11 115.61 1s6d h GLN 14 Ca 0.19 -0.03 0.06 0.00 0.09 0.00 0.00 58.65 58.96 1s6d h GLN 14 Cb 0.11 -0.00 -0.06 0.00 0.08 0.00 0.00 27.48 27.61 1s6d h GLN 14 CO -0.03 0.44 -0.10 0.52 0.09 0.00 0.00 178.83 179.76 1s6d h MET 15 N 0.08 -0.04 -0.89 0.06 2.86 -1.28 -0.52 114.93 115.19 1s6d h MET 15 Ca 0.01 0.00 0.23 0.00 -2.06 0.00 0.00 59.70 57.88 1s6d h MET 15 Cb 0.68 0.01 -0.06 0.00 0.06 0.00 0.00 31.60 32.29 1s6d h MET 15 CO 0.05 -0.03 0.61 1.05 1.06 0.00 0.00 176.91 179.65 1s6d h GLU 16 N -0.04 0.24 0.00 1.72 4.11 -1.49 0.23 114.58 119.34 1s6d h GLU 16 Ca 0.14 -0.01 -0.16 0.00 0.07 0.00 0.00 59.36 59.39 1s6d h GLU 16 Cb 0.25 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 1s6d h GLU 16 CO -0.30 0.16 -0.78 1.49 0.07 0.00 0.00 179.01 179.65 1s6d h GLU 17 N 0.25 0.00 -2.21 1.06 4.57 -1.25 -3.31 114.58 113.69 1s6d h GLU 17 Ca 0.45 0.00 -0.60 0.00 -1.18 0.00 0.00 59.36 58.04 1s6d h GLU 17 Cb 1.38 0.00 -0.42 0.00 -0.16 0.00 0.00 28.75 29.55 1s6d h GLU 17 CO -0.12 0.78 -0.62 0.00 -1.18 0.00 0.00 179.01 177.87 1s6d n ALA 18 N -2.36 4.16 -1.16 2.92 0.00 0.69 -5.00 120.51 119.77 1s6d n ALA 18 Ca -0.00 -4.71 -0.37 0.00 0.00 0.00 0.00 53.44 48.36 1s6d n ALA 18 Cb 0.78 -0.86 -0.09 0.00 0.00 0.00 0.00 19.45 19.29 1s6d n ALA 18 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1s6d n GLU 19 N 0.59 0.83 -0.01 0.00 0.00 -0.58 -4.38 120.64 117.09 1s6d n GLU 19 Ca 0.30 -1.66 0.11 0.00 0.00 0.00 0.00 57.16 55.90 1s6d n GLU 19 Cb 0.41 -3.07 -0.16 0.00 0.00 0.00 0.00 31.44 28.62 1s6d n GLU 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1s6d n MET 20 N 7.71 0.54 -0.17 5.31 0.00 -1.26 -3.91 117.12 125.35 1s6d n MET 20 Ca 0.47 -0.15 0.03 0.00 0.00 0.00 0.00 57.70 58.04 1s6d n MET 20 Cb 0.43 -1.50 0.10 0.00 0.00 0.00 0.00 33.22 32.25 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 -2.08 1.63 -0.10 3.17 7.99 -1.26 -3.33 117.00 123.02 1s6d n LEU 21 Ca -0.02 -0.82 -0.13 0.00 -0.01 0.00 0.00 56.01 55.02 1s6d n LEU 21 Cb 0.51 -0.31 -0.11 0.00 -0.11 0.00 0.00 43.42 43.40 1s6d n LEU 21 CO 0.44 0.31 -1.16 -3.20 -1.51 0.00 0.00 177.39 172.28 1s6d n ASN 22 N 0.14 1.97 0.19 -1.43 2.85 -1.25 -3.77 115.26 113.95 1s6d n ASN 22 Ca 0.07 -0.08 -0.08 0.00 -0.11 0.00 0.00 54.58 54.38 1s6d n ASN 22 Cb 0.32 -0.01 -0.04 0.00 1.24 0.00 0.00 39.78 41.29 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 -0.50 -0.40 1.20 3.86 -1.76 0.33 115.15 117.87 1s6d h HIS 23 Ca -0.47 -0.01 0.12 0.00 -1.16 0.00 0.00 60.37 58.85 1s6d h HIS 23 Cb 1.81 0.17 -0.02 0.00 1.06 0.00 0.00 27.41 30.43 1s6d h HIS 23 CO 0.02 -0.31 0.34 0.00 0.86 0.00 0.00 177.93 178.84 1s6d h GLY 25 N 0.00 0.35 0.87 0.00 0.00 -1.62 -3.30 103.07 99.37 1s6d h GLY 25 Ca 0.19 -0.46 0.02 0.00 0.00 0.00 0.00 47.33 47.08 1s6d h GLY 25 CO -0.00 0.41 0.12 1.98 0.00 0.00 0.00 176.54 179.05 1s6d h MET 26 N -0.17 0.25 -1.16 4.80 4.05 0.11 0.27 114.93 123.08 1s6d h MET 26 Ca -0.01 -0.02 0.34 0.00 -0.28 0.00 0.00 59.70 59.73 1s6d h MET 26 Cb 0.90 -0.06 -0.11 0.00 -0.80 0.00 0.00 31.60 31.53 1s6d h MET 26 CO 0.06 0.17 0.74 -0.92 0.23 0.00 0.00 176.91 177.19 1s6d h TYR 27 N 0.26 0.59 0.00 1.39 3.20 -1.45 0.42 116.97 121.39 1s6d h TYR 27 Ca 0.11 0.02 -0.18 0.00 3.14 0.00 0.00 58.73 61.82 1s6d h TYR 27 Cb 0.04 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.12 1s6d h TYR 27 CO -0.10 -0.06 -1.57 1.28 -1.64 0.00 0.00 178.16 176.07 1s6d n LEU 28 N -4.65 0.72 -0.20 2.82 4.77 -0.33 -3.65 117.00 116.48 1s6d n LEU 28 Ca 0.30 0.32 0.07 0.00 -0.03 0.00 0.00 56.01 56.67 1s6d n LEU 28 Cb 1.12 0.12 0.36 0.00 -2.33 0.00 0.00 43.42 42.68 1s6d n LEU 28 CO 0.23 0.18 0.74 0.80 -1.33 0.00 0.00 177.39 178.02 1s6d n MET 29 N -2.84 1.26 0.15 3.23 1.56 0.81 -3.64 117.12 117.64 1s6d n MET 29 Ca -0.12 -0.39 0.05 0.00 -0.27 0.00 0.00 57.70 56.97 1s6d n MET 29 Cb 0.86 -1.25 0.05 0.00 2.15 0.00 0.00 33.22 35.03 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 0.73 0.00 -0.01 2.12 1.79 -0.38 -3.08 116.57 117.75 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 0.16 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.81 1s6d h LYS 30 CO 0.00 0.33 -0.52 0.09 -1.08 0.00 0.00 179.45 178.26 1s6d n ASN 31 N -3.13 1.13 0.14 0.86 3.02 -1.24 -4.40 115.26 111.64 1s6d n ASN 31 Ca 0.01 -1.06 0.09 0.00 -0.03 0.00 0.00 54.58 53.59 1s6d n ASN 31 Cb 0.68 0.75 0.05 0.00 -0.61 0.00 0.00 39.78 40.66 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 0.83 0.00 -2.90 3.41 3.38 -1.66 -3.49 115.31 114.87 1s6d h LEU 32 Ca 0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 1s6d h LEU 32 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1s6d h LEU 32 CO 0.00 0.14 -0.89 0.61 0.09 0.00 0.00 178.44 178.39 1s6d n GLY 33 N 1.19 0.04 2.62 0.83 0.00 -1.17 -4.77 105.19 103.93 1s6d n GLY 33 Ca 0.00 0.21 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 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 0.89 3.19 0.00 1.61 4.07 -1.26 -3.86 120.64 125.28 1s6d n GLU 34 Ca -0.02 -2.59 0.00 0.00 -0.06 0.00 0.00 57.16 54.49 1s6d n GLU 34 Cb 0.46 -3.11 0.00 0.00 -0.06 0.00 0.00 31.44 28.73 1s6d n GLU 34 CO 0.00 0.00 0.00 -2.13 -0.06 0.00 0.00 177.13 174.94 1s6d n ARG 35 N 5.13 0.00 0.04 5.31 3.00 -1.26 -5.06 116.66 123.82 1s6d n ARG 35 Ca 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.43 1s6d n ARG 35 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.80 1s6d n ARG 35 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1s6d n SER 36 N -1.57 -0.78 -2.73 6.15 2.88 -1.25 -5.04 113.62 111.28 1s6d n SER 36 Ca 0.00 0.49 -0.07 0.00 -1.33 0.00 0.00 58.87 57.96 1s6d n SER 36 Cb 0.00 1.06 0.06 0.00 -0.75 0.00 0.00 64.21 64.58 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 -2.85 0.62 -1.24 -1.46 7.27 -1.26 -4.98 117.38 113.48 1s6d n GLN 37 Ca 0.00 -1.47 -0.29 0.00 0.07 0.00 0.00 57.00 55.31 1s6d n GLN 37 Cb 0.00 -1.10 0.20 0.00 2.41 0.00 0.00 30.24 31.75 1s6d n GLN 37 CO 0.00 0.00 0.00 0.14 0.07 0.00 0.00 177.06 177.27 1s6d s VAL 38 N 0.51 1.84 1.03 1.69 -7.23 -1.26 -5.01 120.40 111.97 1s6d s VAL 38 Ca 0.29 0.00 -0.18 0.00 -1.81 0.00 0.00 61.98 60.29 1s6d s VAL 38 Cb 0.23 -2.57 0.01 0.00 0.56 0.00 0.00 36.38 34.61 1s6d s VAL 38 CO -0.19 0.00 -0.17 -1.54 -0.31 0.00 0.00 175.10 172.89 1s6d n SER 39 N -4.33 -2.87 -2.71 4.85 3.41 -1.26 -5.00 113.62 105.72 1s6d n SER 39 Ca 0.09 0.09 0.00 0.00 -0.26 0.00 0.00 58.87 58.79 1s6d n SER 39 Cb 0.59 -0.96 0.00 0.00 -0.26 0.00 0.00 64.21 63.58 1s6d n SER 39 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1s6d n PRO 40 N -0.71 0.03 -0.82 4.33 -0.04 -1.26 -4.82 135.00 131.71 1s6d n PRO 40 Ca 0.02 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.39 1s6d n PRO 40 Cb 0.60 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.93 1s6d n PRO 40 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1s6d n ARG 41 N -0.78 1.63 -0.29 0.54 0.00 -1.26 -4.60 116.66 111.90 1s6d n ARG 41 Ca 0.00 -0.76 0.34 0.00 -0.00 0.00 0.00 57.85 57.43 1s6d n ARG 41 Cb 0.00 -1.83 0.72 0.00 0.00 0.00 0.00 32.46 31.35 1s6d n ARG 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1s6d h MET 42 N 3.13 0.00 -6.52 -0.14 -0.00 -2.02 -3.41 114.93 105.98 1s6d h MET 42 Ca 0.14 0.00 -0.60 0.00 -0.00 0.00 0.00 59.70 59.25 1s6d h MET 42 Cb 1.27 0.00 0.12 0.00 -0.00 0.00 0.00 31.60 32.99 1s6d h MET 42 CO 0.23 0.00 0.10 -2.13 -0.00 0.00 0.00 176.91 175.12 1s6d n ARG 43 N -3.94 1.31 -0.00 -0.10 3.00 -1.26 -4.92 116.66 110.74 1s6d n ARG 43 Ca 0.25 0.46 0.05 0.00 -0.00 0.00 0.00 57.85 58.61 1s6d n ARG 43 Cb 1.28 -1.88 -0.07 0.00 0.00 0.00 0.00 32.46 31.79 1s6d n ARG 43 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 1s6d n GLU 44 N 0.55 0.38 -2.66 -0.14 0.28 -1.26 -4.94 120.64 112.85 1s6d n GLU 44 Ca 0.09 -0.08 -0.43 0.00 -0.16 0.00 0.00 57.16 56.58 1s6d n GLU 44 Cb 0.35 -1.21 -0.02 0.00 1.43 0.00 0.00 31.44 31.98 1s6d n GLU 44 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 1s6d s GLU 45 N -2.63 4.11 0.31 3.44 2.02 -1.26 -4.98 118.70 119.71 1s6d s GLU 45 Ca -0.03 1.12 -0.29 0.00 0.02 0.00 0.00 54.97 55.79 1s6d s GLU 45 Cb 0.06 -3.71 -0.10 0.00 0.10 0.00 0.00 34.13 30.47 1s6d s GLU 45 CO 0.39 -0.83 1.30 0.34 0.02 0.00 0.00 175.26 176.47 1s6d s ASP 46 N 1.55 6.82 -0.12 -0.19 2.15 -1.26 -5.02 116.67 120.61 1s6d s ASP 46 Ca 0.45 2.62 0.03 0.00 0.43 0.00 0.00 52.55 56.08 1s6d s ASP 46 Cb -0.13 -2.64 0.01 0.00 -0.30 0.00 0.00 42.92 39.86 1s6d s ASP 46 CO 0.13 -0.51 -0.20 -1.00 -0.17 0.00 0.00 175.17 173.43 1s6d s HIS 47 N -0.96 2.35 0.00 -5.34 3.76 -1.26 -4.80 115.29 109.04 1s6d s HIS 47 Ca 0.50 -1.09 0.00 0.00 -0.15 0.00 0.00 55.06 54.31 1s6d s HIS 47 Cb -0.39 -1.62 0.00 0.00 1.11 0.00 0.00 32.58 31.68 1s6d s HIS 47 CO 0.50 -0.50 0.00 1.17 -0.85 0.00 0.00 174.74 175.06 1s6d n LYS 48 N 3.96 0.00 0.02 1.40 4.81 -1.26 -4.70 118.16 122.39 1s6d n LYS 48 Ca -0.20 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.24 1s6d n LYS 48 Cb 0.52 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 35.48 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 0.63 0.28 1.64 6.02 -1.26 -2.79 117.38 121.90 1s6d n GLN 49 Ca 0.00 0.18 0.16 0.00 -0.01 0.00 0.00 57.00 57.33 1s6d n GLN 49 Cb 0.00 -1.77 0.83 0.00 1.02 0.00 0.00 30.24 30.32 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 0.06 1.08 3.38 -1.92 0.49 115.31 118.39 1s6d h LEU 50 Ca -0.18 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.54 1s6d h LEU 50 Cb 1.59 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.32 1s6d h LEU 50 CO 0.04 0.07 -1.33 0.00 0.09 0.00 0.00 178.44 177.31 1s6d n MET 53 N -1.18 0.54 0.12 0.00 0.00 0.17 -4.24 117.12 112.53 1s6d n MET 53 Ca 0.10 0.32 -0.02 0.00 0.00 0.00 0.00 57.70 58.10 1s6d n MET 53 Cb 0.11 -1.53 0.16 0.00 0.00 0.00 0.00 33.22 31.95 1s6d n MET 53 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 175.97 177.93 1s6d h GLN 54 N -1.00 0.05 -0.20 2.12 4.20 -1.39 -2.87 115.11 116.03 1s6d h GLN 54 Ca -0.30 -0.04 0.06 0.00 0.06 0.00 0.00 58.65 58.43 1s6d h GLN 54 Cb 1.19 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.97 1s6d h GLN 54 CO -0.18 0.66 0.17 -0.07 -0.67 0.00 0.00 178.83 178.74 1s6d h LEU 55 N 0.04 0.00 -0.24 1.46 3.38 -1.36 0.25 115.31 118.84 1s6d h LEU 55 Ca -0.01 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1s6d h LEU 55 Cb 1.11 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 1s6d h LEU 55 CO 0.08 0.00 -0.01 0.50 0.09 0.00 0.00 178.44 179.11 1s6d h LYS 56 N 0.00 0.44 -0.71 1.13 3.64 -1.68 -2.77 116.57 116.62 1s6d h LYS 56 Ca 0.09 -0.14 0.17 0.00 -1.27 0.00 0.00 60.65 59.50 1s6d h LYS 56 Cb 0.43 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.18 1s6d h LYS 56 CO -0.00 0.62 0.49 -0.91 -2.27 0.00 0.00 179.45 177.38 1s6d h ASN 57 N 0.21 0.19 -1.92 4.20 2.35 -0.60 -3.43 115.58 116.57 1s6d h ASN 57 Ca 0.07 0.01 -0.15 0.00 -0.55 0.00 0.00 56.30 55.68 1s6d h ASN 57 Cb 0.42 -0.02 0.08 0.00 0.05 0.00 0.00 38.32 38.85 1s6d h ASN 57 CO 0.01 0.09 -0.03 0.18 -1.65 0.00 0.00 177.43 176.04 1s6d n LEU 58 N -4.41 0.00 -4.95 1.61 4.77 -0.79 -5.05 117.00 108.18 1s6d n LEU 58 Ca 0.14 -0.38 -0.24 0.00 -0.03 0.00 0.00 56.01 55.49 1s6d n LEU 58 Cb 0.64 -0.39 -0.02 0.00 -2.33 0.00 0.00 43.42 41.32 1s6d n LEU 58 CO 0.35 -1.82 0.08 -1.81 -1.33 0.00 0.00 177.39 172.86 1s6d s ASP 59 N -2.51 6.33 0.43 -1.43 1.01 -1.26 -4.99 116.67 114.24 1s6d s ASP 59 Ca 0.27 0.34 0.24 0.00 0.71 0.00 0.00 52.55 54.11 1s6d s ASP 59 Cb -0.04 -1.98 0.74 0.00 1.01 0.00 0.00 42.92 42.64 1s6d s ASP 59 CO 0.22 -0.17 1.74 -0.08 0.21 0.00 0.00 175.17 177.09 1s6d h GLU 60 N 1.19 0.00 -0.00 8.23 4.81 -1.92 0.74 114.58 127.63 1s6d h GLU 60 Ca -0.50 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 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 0.63 0.20 -0.49 0.36 -0.73 0.00 0.00 179.01 178.98 1s6d n LYS 61 N -3.26 0.04 -0.00 1.92 2.85 -1.26 -3.64 118.16 114.81 1s6d n LYS 61 Ca 0.01 -0.02 0.10 0.00 -1.05 0.00 0.00 58.31 57.35 1s6d n LYS 61 Cb 0.48 -1.50 -0.13 0.00 -0.65 0.00 0.00 35.03 33.23 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 -1.67 3.93 0.00 0.00 2.81 0.08 -2.09 117.12 120.19 1s6d n MET 63 Ca 0.02 -2.96 0.00 0.00 -1.81 0.00 0.00 57.70 52.95 1s6d n MET 63 Cb 0.38 -2.82 0.00 0.00 -0.71 0.00 0.00 33.22 30.07 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 0.31 -0.03 0.00 0.13 -1.77 -3.26 132.00 127.38 1s6d h PRO 65 Ca 0.00 -0.38 -0.01 0.00 -0.87 0.00 0.00 66.00 64.73 1s6d h PRO 65 Cb 0.00 0.12 -0.00 0.00 0.13 0.00 0.00 31.00 31.25 1s6d h PRO 65 CO 0.00 1.10 -0.04 0.00 -0.23 0.00 0.00 178.00 178.83 1s6d h ALA 66 N 0.76 0.04 -0.98 -0.56 0.00 -1.71 -3.26 119.26 113.56 1s6d h ALA 66 Ca -0.08 -0.28 0.16 0.00 0.00 0.00 0.00 54.91 54.71 1s6d h ALA 66 Cb 1.67 -0.01 -0.17 0.00 0.00 0.00 0.00 17.79 19.28 1s6d h ALA 66 CO 0.17 -0.16 -0.34 -0.89 0.00 0.00 0.00 179.25 178.02 1s6d n ILE 67 N -4.77 -0.49 -0.15 0.00 5.41 -1.23 -0.02 119.36 118.11 1s6d n ILE 67 Ca -0.08 2.28 -0.09 0.00 1.00 0.00 0.00 62.75 65.86 1s6d n ILE 67 Cb 0.29 -3.05 -0.03 0.00 -0.71 0.00 0.00 39.64 36.14 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 -0.27 -0.48 0.38 2.86 -1.61 0.17 114.93 115.98 1s6d h MET 68 Ca 0.38 0.02 0.11 0.00 -2.06 0.00 0.00 59.70 58.14 1s6d h MET 68 Cb 0.62 0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.32 1s6d h MET 68 CO -0.98 -0.18 0.33 0.52 1.06 0.00 0.00 176.91 177.66 1s6d h MET 69 N -0.28 0.16 -0.91 1.72 2.86 -0.52 -0.81 114.93 117.16 1s6d h MET 69 Ca 0.16 -0.01 0.16 0.00 -2.06 0.00 0.00 59.70 57.95 1s6d h MET 69 Cb 0.57 -0.04 -0.07 0.00 0.06 0.00 0.00 31.60 32.12 1s6d h MET 69 CO -0.61 0.11 0.58 0.00 1.06 0.00 0.00 176.91 178.05 1s6d h MET 70 N 0.17 0.62 -0.82 1.72 3.00 0.98 -0.04 114.93 120.56 1s6d h MET 70 Ca 0.22 -0.04 -0.43 0.00 0.00 0.00 0.00 59.70 59.45 1s6d h MET 70 Cb 0.67 -0.14 -0.26 0.00 0.00 0.00 0.00 31.60 31.87 1s6d h MET 70 CO -0.03 0.41 0.45 1.28 0.00 0.00 0.00 176.91 179.02 1s6d n LEU 71 N -4.57 6.06 0.00 -0.10 4.77 -0.31 -4.05 117.00 118.79 1s6d n LEU 71 Ca 0.18 -3.70 0.00 0.00 -0.03 0.00 0.00 56.01 52.46 1s6d n LEU 71 Cb 0.53 -0.79 0.00 0.00 -2.33 0.00 0.00 43.42 40.83 1s6d n LEU 71 CO 0.29 1.14 0.24 0.59 -1.33 0.00 0.00 177.39 178.32 1s6d n ASN 72 N -1.13 0.89 -3.67 -1.43 5.03 -0.03 -4.63 115.26 110.29 1s6d n ASN 72 Ca 0.53 -1.15 -0.30 0.00 0.87 0.00 0.00 54.58 54.53 1s6d n ASN 72 Cb 1.45 0.00 0.26 0.00 -1.02 0.00 0.00 39.78 40.48 1s6d n ASN 72 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 1s6d s GLU 73 N -0.15 -2.02 0.00 3.52 2.02 -1.19 -4.83 118.70 116.05 1s6d s GLU 73 Ca 0.00 0.06 -0.01 0.00 0.02 0.00 0.00 54.97 55.04 1s6d s GLU 73 Cb 0.00 -1.49 -0.04 0.00 0.10 0.00 0.00 34.13 32.70 1s6d s GLU 73 CO 0.00 -4.26 1.61 -0.35 0.02 0.00 0.00 175.26 172.28 1s6d n PRO 74 N -5.18 0.81 -0.86 0.39 -0.04 -1.26 -2.49 135.00 126.37 1s6d n PRO 74 Ca 0.12 -0.15 -0.01 0.00 -0.04 0.00 0.00 63.50 63.42 1s6d n PRO 74 Cb 0.59 -1.32 -0.01 0.00 -0.04 0.00 0.00 33.50 32.73 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 1.89 0.07 -3.20 0.54 1.56 -1.26 -5.07 117.12 111.65 1s6d n MET 75 Ca 0.06 -0.25 -0.17 0.00 -0.27 0.00 0.00 57.70 57.08 1s6d n MET 75 Cb 0.39 0.41 -0.06 0.00 2.15 0.00 0.00 33.22 36.12 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 0.01 -0.18 0.00 1.12 0.23 -1.04 -5.02 118.94 114.06 1s6d s TRP 76 Ca 0.00 -1.31 0.00 0.00 -2.03 0.00 0.00 56.10 52.77 1s6d s TRP 76 Cb 0.02 -0.38 0.00 0.00 0.03 0.00 0.00 33.47 33.15 1s6d s TRP 76 CO -0.01 -1.01 0.00 -0.89 0.96 0.00 0.00 176.95 176.00 1s6d n ILE 77 N 3.33 0.00 -0.20 2.03 2.08 -1.26 -4.24 119.36 121.11 1s6d n ILE 77 Ca 0.20 0.00 0.27 0.00 0.56 0.00 0.00 62.75 63.79 1s6d n ILE 77 Cb 0.50 0.00 0.69 0.00 -0.75 0.00 0.00 39.64 40.07 1s6d n ILE 77 CO 0.00 0.00 0.00 0.03 0.56 0.00 0.00 176.55 177.14 1s6d h ARG 78 N 0.00 0.07 -0.70 0.38 -0.00 -1.99 0.21 114.38 112.35 1s6d h ARG 78 Ca 0.00 -0.00 0.20 0.00 -0.50 0.00 0.00 59.98 59.68 1s6d h ARG 78 Cb 0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 29.97 29.93 1s6d h ARG 78 CO 0.00 0.04 0.71 0.00 0.00 0.00 0.00 179.97 180.72 1s6d h MET 79 N 0.07 0.00 0.00 0.04 -0.00 -1.94 0.33 114.93 113.42 1s6d h MET 79 Ca 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 60.14 1s6d h MET 79 Cb 1.65 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 33.25 1s6d h MET 79 CO -0.04 0.00 0.12 0.54 -0.00 0.00 0.00 176.91 177.53 1s6d n ARG 80 N -3.66 0.04 -0.28 -0.10 1.74 0.74 -3.55 116.66 111.59 1s6d n ARG 80 Ca 0.14 0.47 0.02 0.00 -0.77 0.00 0.00 57.85 57.72 1s6d n ARG 80 Cb 0.95 -1.75 0.08 0.00 -1.02 0.00 0.00 32.46 30.72 1s6d n ARG 80 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1s6d n ASP 81 N -1.67 -0.35 0.00 0.55 2.03 0.11 0.88 116.55 118.10 1s6d n ASP 81 Ca -0.00 1.29 0.00 0.00 0.52 0.00 0.00 54.79 56.60 1s6d n ASP 81 Cb 0.13 -0.35 0.00 0.00 -0.72 0.00 0.00 41.12 40.17 1s6d n ASP 81 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1s6d n GLN 82 N -5.17 0.00 -0.08 -0.67 3.00 -1.23 -3.86 117.38 109.36 1s6d n GLN 82 Ca 0.10 0.00 0.01 0.00 -0.01 0.00 0.00 57.00 57.10 1s6d n GLN 82 Cb 0.34 -0.45 0.03 0.00 0.00 0.00 0.00 30.24 30.16 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 -0.45 -0.10 -0.24 5.09 3.14 -1.15 -0.06 118.33 124.56 1s6d n VAL 83 Ca 0.00 0.52 -0.06 0.00 -2.96 0.00 0.00 64.34 61.84 1s6d n VAL 83 Cb 0.00 -0.71 -0.06 0.00 -1.06 0.00 0.00 33.84 32.01 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 -4.36 -0.25 -0.52 1.45 0.00 0.25 0.94 117.12 114.64 1s6d n MET 84 Ca 0.03 1.13 -0.02 0.00 0.00 0.00 0.00 57.70 58.84 1s6d n MET 84 Cb 0.11 -1.67 0.00 0.00 0.00 0.00 0.00 33.22 31.67 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 -4.32 5.38 0.00 6.12 2.88 0.91 -3.40 113.62 121.18 1s6d n SER 85 Ca 0.01 -2.46 0.00 0.00 -1.33 0.00 0.00 58.87 55.09 1s6d n SER 85 Cb 0.15 -1.10 0.00 0.00 -0.75 0.00 0.00 64.21 62.51 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 1.34 0.00 0.00 -1.46 2.00 0.14 -4.83 117.12 114.31 1s6d n MET 86 Ca 0.03 0.00 0.09 0.00 0.00 0.00 0.00 57.70 57.82 1s6d n MET 86 Cb 0.51 -0.09 0.55 0.00 0.00 0.00 0.00 33.22 34.19 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 -2.06 2.52 -0.04 3.04 0.00 0.27 -0.48 120.51 123.75 1s6d n ALA 87 Ca 0.00 -0.12 0.01 0.00 0.00 0.00 0.00 53.44 53.33 1s6d n ALA 87 Cb 0.00 -1.30 -0.15 0.00 0.00 0.00 0.00 19.45 18.00 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 -0.82 0.19 -0.02 0.00 1.44 -1.22 -4.25 115.22 110.53 1s6d n HIS 88 Ca 0.14 0.06 0.04 0.00 -2.01 0.00 0.00 57.72 55.95 1s6d n HIS 88 Cb 0.06 -0.81 -0.11 0.00 0.12 0.00 0.00 29.99 29.26 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 -2.57 1.66 0.07 4.39 5.03 -1.02 -3.91 115.26 118.91 1s6d n ASN 89 Ca -0.16 0.00 -0.12 0.00 0.87 0.00 0.00 54.58 55.17 1s6d n ASN 89 Cb 0.85 1.44 -0.07 0.00 -1.02 0.00 0.00 39.78 40.98 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 -0.13 3.41 3.38 -1.00 0.32 115.31 121.15 1s6d h LEU 90 Ca -0.10 0.02 -0.24 0.00 0.09 0.00 0.00 57.88 57.65 1s6d h LEU 90 Cb 0.98 0.05 0.01 0.00 0.09 0.00 0.00 40.66 41.79 1s6d h LEU 90 CO 0.01 -0.09 -0.97 1.55 0.09 0.00 0.00 178.44 179.03 1s6d h PRO 91 N -0.12 0.46 -0.44 1.13 0.13 -1.81 -2.94 132.00 128.42 1s6d h PRO 91 Ca 0.00 -0.51 -0.03 0.00 -0.87 0.00 0.00 66.00 64.60 1s6d h PRO 91 Cb 0.12 0.15 -0.02 0.00 0.13 0.00 0.00 31.00 31.38 1s6d h PRO 91 CO -0.02 1.15 0.16 0.82 -0.23 0.00 0.00 178.00 179.88 1s6d h ILE 92 N 0.26 1.21 0.00 -3.56 2.04 -1.66 0.38 117.51 116.18 1s6d h ILE 92 Ca -0.09 -0.68 0.00 0.00 1.00 0.00 0.00 64.86 65.09 1s6d h ILE 92 Cb 1.61 0.83 0.00 0.00 -0.74 0.00 0.00 36.82 38.52 1s6d h ILE 92 CO 0.17 0.25 0.00 -0.33 0.00 0.00 0.00 178.15 178.24 1s6d h GLU 93 N 0.57 0.00 0.00 2.37 5.08 -0.39 0.20 114.58 122.41 1s6d h GLU 93 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1s6d h GLU 93 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1s6d h GLU 93 CO -0.01 0.00 -0.57 0.00 -1.00 0.00 0.00 179.01 177.44 1s6d n ASN 95 N -1.71 -1.78 -0.04 0.00 4.05 0.71 -4.98 115.26 111.51 1s6d n ASN 95 Ca 0.05 0.00 -0.00 0.00 0.45 0.00 0.00 54.58 55.07 1s6d n ASN 95 Cb 0.37 -0.41 -0.00 0.00 1.23 0.00 0.00 39.78 40.97 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 -0.02 -2.99 1.20 3.38 -0.47 -3.40 115.31 113.01 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 0.34 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 1s6d h LEU 96 CO 0.00 0.46 -0.20 1.15 0.09 0.00 0.00 178.44 179.94 1s6d n MET 97 N -4.70 1.37 -0.01 1.13 0.00 -1.00 -4.55 117.12 109.35 1s6d n MET 97 Ca -0.00 -2.82 -0.00 0.00 0.00 0.00 0.00 57.70 54.87 1s6d n MET 97 Cb 0.01 -1.52 -0.00 0.00 0.00 0.00 0.00 33.22 31.71 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 -1.28 -0.02 -2.73 3.17 3.41 -1.26 -4.25 113.62 110.65 1s6d n SER 98 Ca 0.17 0.76 -0.08 0.00 -0.26 0.00 0.00 58.87 59.45 1s6d n SER 98 Cb 0.66 -0.36 0.10 0.00 -0.26 0.00 0.00 64.21 64.35 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 -2.81 1.11 0.07 4.33 7.27 -1.26 -4.97 117.38 121.13 1s6d n GLN 99 Ca 0.00 -2.02 -0.04 0.00 0.07 0.00 0.00 57.00 55.02 1s6d n GLN 99 Cb 0.01 -0.60 -0.02 0.00 2.41 0.00 0.00 30.24 32.04 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 2.52 -0.23 -6.41 3.69 0.13 -1.89 -3.43 132.00 126.37 1s6d h PRO 100 Ca -0.18 0.02 -0.54 0.00 -0.87 0.00 0.00 66.00 64.43 1s6d h PRO 100 Cb 1.19 0.05 -0.00 0.00 0.13 0.00 0.00 31.00 32.38 1s6d h PRO 100 CO 0.07 -0.15 0.72 0.00 -0.23 0.00 0.00 178.00 178.41 1s6d s GLN 102 N 1.83 2.14 0.00 0.00 -0.21 -1.26 -5.13 119.66 117.03 1s6d s GLN 102 Ca 0.61 -2.37 0.26 0.00 0.02 0.00 0.00 55.36 53.88 1s6d s GLN 102 Cb -0.30 -1.10 0.65 0.00 1.00 0.00 0.00 33.01 33.26 1s6d s GLN 102 CO 0.27 -0.48 1.52 -0.12 -2.12 0.00 0.00 175.29 174.36