#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 0.75 -3.24 0.54 0.18 -1.26 -5.02 117.16 109.12 1s6d n TYR 2 Ca 0.00 0.41 -0.14 0.00 1.88 0.00 0.00 57.90 60.05 1s6d n TYR 2 Cb 0.00 -2.11 -0.05 0.00 -0.38 0.00 0.00 39.34 36.80 1s6d n TYR 2 CO 0.00 0.00 0.00 0.20 -2.08 0.00 0.00 176.86 174.98 1s6d s GLY 3 N -1.49 -0.23 -0.18 -7.48 0.00 -1.26 -5.11 107.32 91.58 1s6d s GLY 3 Ca 0.75 -0.95 -0.00 0.00 0.00 0.00 0.00 44.72 44.52 1s6d s GLY 3 CO 0.48 2.94 -0.07 -1.60 0.00 0.00 0.00 173.10 174.85 1s6d s ARG 4 N 1.16 1.63 -0.80 2.90 6.06 -1.26 -5.08 118.95 123.56 1s6d s ARG 4 Ca 0.22 -0.62 -0.25 0.00 -2.50 0.00 0.00 55.73 52.57 1s6d s ARG 4 Cb -0.08 -2.14 -0.02 0.00 0.06 0.00 0.00 34.95 32.77 1s6d s ARG 4 CO -0.06 -0.43 1.78 0.20 -2.50 0.00 0.00 175.30 174.29 1s6d s GLY 5 N 1.56 0.40 -0.42 8.12 0.00 -1.26 -4.83 107.32 110.89 1s6d s GLY 5 Ca 0.00 -1.31 0.07 0.00 0.00 0.00 0.00 44.72 43.48 1s6d s GLY 5 CO -0.08 3.27 0.61 -1.60 0.00 0.00 0.00 173.10 175.30 1s6d s ARG 6 N 6.61 0.84 0.20 2.90 3.00 -1.26 -5.16 118.95 126.08 1s6d s ARG 6 Ca 0.62 -0.49 -0.01 0.00 -1.00 0.00 0.00 55.73 54.85 1s6d s ARG 6 Cb -0.08 -0.05 0.01 0.00 0.00 0.00 0.00 34.95 34.83 1s6d s ARG 6 CO 0.07 -1.22 0.28 0.25 0.00 0.00 0.00 175.30 174.68 1s6d n THR 7 N 4.15 0.00 -1.92 4.11 -2.24 -1.26 -5.18 114.28 111.95 1s6d n THR 7 Ca 0.12 -0.96 -0.30 0.00 -2.27 0.00 0.00 64.05 60.65 1s6d n THR 7 Cb 0.55 0.60 0.18 0.00 -2.10 0.00 0.00 70.33 69.56 1s6d n THR 7 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1s6d s GLU 8 N -2.42 0.77 0.54 -0.78 2.02 -1.26 -5.10 118.70 112.47 1s6d s GLU 8 Ca 0.16 -0.35 -0.07 0.00 0.02 0.00 0.00 54.97 54.73 1s6d s GLU 8 Cb -0.01 -1.86 0.12 0.00 0.10 0.00 0.00 34.13 32.49 1s6d s GLU 8 CO 0.11 -2.34 0.73 0.45 0.02 0.00 0.00 175.26 174.24 1s6d n SER 9 N -3.73 0.27 0.00 -0.19 2.88 -1.26 -4.90 113.62 106.69 1s6d n SER 9 Ca 0.14 -1.39 0.00 0.00 -1.33 0.00 0.00 58.87 56.29 1s6d n SER 9 Cb 0.60 -0.54 0.00 0.00 -0.75 0.00 0.00 64.21 63.52 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 0.03 0.51 0.35 0.46 0.00 -1.26 -4.85 105.19 100.43 1s6d n GLY 10 Ca 0.10 -1.42 -0.05 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 -0.15 0.33 -0.51 0.00 3.20 -1.91 0.26 116.97 118.19 1s6d h TYR 12 Ca 0.24 0.05 -0.01 0.00 3.14 0.00 0.00 58.73 62.14 1s6d h TYR 12 Cb 0.55 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.79 1s6d h TYR 12 CO -0.65 -0.20 0.26 0.37 -1.64 0.00 0.00 178.16 176.30 1s6d h GLN 13 N 0.21 0.73 0.00 1.82 -0.00 -0.80 0.26 115.11 117.33 1s6d h GLN 13 Ca 0.54 -0.10 0.00 0.00 -0.00 0.00 0.00 58.65 59.09 1s6d h GLN 13 Cb 1.07 -0.14 0.00 0.00 0.00 0.00 0.00 27.48 28.42 1s6d h GLN 13 CO -0.65 0.59 0.00 1.04 0.00 0.00 0.00 178.83 179.81 1s6d n GLN 14 N -4.62 0.02 -0.08 1.69 6.02 0.09 -2.73 117.38 117.78 1s6d n GLN 14 Ca 0.02 0.16 -0.07 0.00 -0.01 0.00 0.00 57.00 57.11 1s6d n GLN 14 Cb 0.10 -1.54 -0.02 0.00 1.02 0.00 0.00 30.24 29.80 1s6d n GLN 14 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.06 174.72 1s6d n MET 15 N -1.58 0.47 0.01 -1.09 2.81 0.68 -3.76 117.12 114.67 1s6d n MET 15 Ca 0.05 0.46 0.07 0.00 -1.81 0.00 0.00 57.70 56.47 1s6d n MET 15 Cb 0.25 -1.64 0.48 0.00 -0.71 0.00 0.00 33.22 31.60 1s6d n MET 15 CO 0.00 0.00 0.00 1.05 1.51 0.00 0.00 175.97 178.53 1s6d h GLU 16 N -1.00 0.42 0.00 0.03 4.11 -0.67 0.16 114.58 117.63 1s6d h GLU 16 Ca -0.02 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.38 1s6d h GLU 16 Cb 0.66 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1s6d h GLU 16 CO -0.01 0.28 0.00 1.49 0.07 0.00 0.00 179.01 180.83 1s6d h GLU 17 N 0.43 0.00 -0.85 1.06 4.81 -1.71 -2.94 114.58 115.38 1s6d h GLU 17 Ca 0.17 0.00 -0.43 0.00 -0.13 0.00 0.00 59.36 58.97 1s6d h GLU 17 Cb 0.15 0.00 -0.41 0.00 0.63 0.00 0.00 28.75 29.11 1s6d h GLU 17 CO -0.04 0.00 -0.96 0.00 -0.73 0.00 0.00 179.01 177.28 1s6d n ALA 18 N -2.06 4.04 -1.50 2.92 0.00 -0.12 -5.05 120.51 118.73 1s6d n ALA 18 Ca 0.01 -3.48 -0.21 0.00 0.00 0.00 0.00 53.44 49.76 1s6d n ALA 18 Cb 0.31 -0.63 -0.21 0.00 0.00 0.00 0.00 19.45 18.91 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 -0.52 0.05 -0.06 0.00 4.07 -0.25 -4.66 120.64 119.27 1s6d n GLU 19 Ca 0.26 -0.08 -0.07 0.00 -0.06 0.00 0.00 57.16 57.22 1s6d n GLU 19 Cb 0.83 -1.25 -0.10 0.00 -0.06 0.00 0.00 31.44 30.86 1s6d n GLU 19 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1s6d n MET 20 N 5.81 1.84 -0.01 5.31 0.00 -1.26 -4.10 117.12 124.70 1s6d n MET 20 Ca 0.66 -0.00 0.10 0.00 0.00 0.00 0.00 57.70 58.46 1s6d n MET 20 Cb 0.17 -1.33 0.54 0.00 0.00 0.00 0.00 33.22 32.60 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 -2.50 0.30 0.17 3.17 4.77 -1.26 -2.87 117.00 118.79 1s6d n LEU 21 Ca -0.21 -0.12 0.03 0.00 -0.03 0.00 0.00 56.01 55.67 1s6d n LEU 21 Cb 0.91 -0.02 0.30 0.00 -2.33 0.00 0.00 43.42 42.28 1s6d n LEU 21 CO 0.27 0.06 0.63 -1.13 -1.33 0.00 0.00 177.39 175.89 1s6d h ASN 22 N 0.41 0.00 0.12 -1.43 -1.24 -1.91 -2.52 115.58 109.00 1s6d h ASN 22 Ca 0.00 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.00 1s6d h ASN 22 Cb 0.09 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.14 1s6d h ASN 22 CO 0.00 0.45 -0.06 0.45 -1.29 0.00 0.00 177.43 176.99 1s6d h HIS 23 N 0.00 -0.15 -0.71 0.67 -0.00 -1.79 -3.18 115.15 109.99 1s6d h HIS 23 Ca -0.00 -0.00 0.21 0.00 -0.00 0.00 0.00 60.37 60.57 1s6d h HIS 23 Cb 0.90 0.05 -0.03 0.00 -0.00 0.00 0.00 27.41 28.33 1s6d h HIS 23 CO 0.00 -0.09 0.61 0.00 -0.00 0.00 0.00 177.93 178.45 1s6d h GLY 25 N 0.00 -1.75 0.41 0.00 0.00 -1.43 -1.11 103.07 99.20 1s6d h GLY 25 Ca 0.34 0.80 0.19 0.00 0.00 0.00 0.00 47.33 48.65 1s6d h GLY 25 CO -0.00 -0.62 0.57 -0.33 0.00 0.00 0.00 176.54 176.16 1s6d h MET 26 N -0.07 0.43 -0.67 4.80 2.86 -1.43 0.43 114.93 121.28 1s6d h MET 26 Ca 0.01 -0.03 0.08 0.00 -2.06 0.00 0.00 59.70 57.71 1s6d h MET 26 Cb 0.10 -0.10 -0.07 0.00 0.06 0.00 0.00 31.60 31.60 1s6d h MET 26 CO -0.10 0.28 0.33 -0.92 1.06 0.00 0.00 176.91 177.57 1s6d h TYR 27 N 0.44 0.60 0.00 -0.22 3.20 -1.17 0.54 116.97 120.36 1s6d h TYR 27 Ca 0.45 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 62.25 1s6d h TYR 27 Cb 1.05 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 39.14 1s6d h TYR 27 CO -0.00 0.23 -1.21 -0.07 -1.64 0.00 0.00 178.16 175.47 1s6d h LEU 28 N 0.58 0.00 -0.95 2.82 3.38 -0.05 -3.30 115.31 117.80 1s6d h LEU 28 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.29 1s6d h LEU 28 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1s6d h LEU 28 CO -0.25 0.34 0.00 0.80 0.09 0.00 0.00 178.44 179.42 1s6d n MET 29 N -2.81 1.63 0.05 1.13 1.56 0.13 -3.95 117.12 114.87 1s6d n MET 29 Ca -0.05 -0.94 -0.15 0.00 -0.27 0.00 0.00 57.70 56.28 1s6d n MET 29 Cb 0.72 -1.41 -0.14 0.00 2.15 0.00 0.00 33.22 34.54 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 1.98 0.20 -0.00 2.12 1.57 -0.01 -3.04 116.57 119.39 1s6d h LYS 30 Ca 0.00 -0.34 0.00 0.00 -1.87 0.00 0.00 60.65 58.44 1s6d h LYS 30 Cb 0.43 0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.87 1s6d h LYS 30 CO 0.00 1.04 -0.38 -1.71 -0.57 0.00 0.00 179.45 177.83 1s6d n ASN 31 N -3.40 0.55 0.17 0.86 5.15 -1.26 -3.85 115.26 113.49 1s6d n ASN 31 Ca -0.15 -0.32 0.12 0.00 -0.60 0.00 0.00 54.58 53.63 1s6d n ASN 31 Cb 1.03 0.14 0.21 0.00 -0.53 0.00 0.00 39.78 40.63 1s6d n ASN 31 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1s6d h LEU 32 N 0.26 0.00 -0.52 1.20 3.38 -1.66 -3.50 115.31 114.47 1s6d h LEU 32 Ca 0.00 -0.01 0.36 0.00 0.09 0.00 0.00 57.88 58.32 1s6d h LEU 32 Cb 0.49 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.07 1s6d h LEU 32 CO 0.00 0.00 -1.09 0.61 0.09 0.00 0.00 178.44 178.05 1s6d n GLY 33 N 1.17 -2.96 2.78 0.83 0.00 -1.16 -4.95 105.19 100.90 1s6d n GLY 33 Ca 0.04 -1.02 -0.16 0.00 0.00 0.00 0.00 46.02 44.88 1s6d n GLY 33 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1s6d s GLU 34 N -3.85 0.56 -0.59 1.61 2.12 -1.26 -4.99 118.70 112.30 1s6d s GLU 34 Ca 0.00 -0.64 -0.27 0.00 0.36 0.00 0.00 54.97 54.42 1s6d s GLU 34 Cb 0.00 -0.67 0.01 0.00 0.26 0.00 0.00 34.13 33.73 1s6d s GLU 34 CO 0.00 -1.15 1.53 0.50 -0.54 0.00 0.00 175.26 175.60 1s6d s ARG 35 N 1.70 3.11 0.08 4.30 3.52 -1.26 -4.21 118.95 126.20 1s6d s ARG 35 Ca 0.15 0.44 0.00 0.00 -0.13 0.00 0.00 55.73 56.18 1s6d s ARG 35 Cb -0.15 -4.20 0.00 0.00 -1.56 0.00 0.00 34.95 29.04 1s6d s ARG 35 CO -0.11 -2.17 0.00 0.45 -0.81 0.00 0.00 175.30 172.66 1s6d n SER 36 N 10.39 -0.76 -3.53 -2.12 2.88 -1.26 -5.16 113.62 114.05 1s6d n SER 36 Ca 0.13 0.51 -0.02 0.00 -1.33 0.00 0.00 58.87 58.16 1s6d n SER 36 Cb 0.50 1.06 0.01 0.00 -0.75 0.00 0.00 64.21 65.02 1s6d n SER 36 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1s6d s GLN 37 N -1.86 1.05 -0.03 -1.46 0.00 -1.26 -5.19 119.66 110.91 1s6d s GLN 37 Ca 0.00 -0.65 -0.28 0.00 -0.00 0.00 0.00 55.36 54.43 1s6d s GLN 37 Cb 0.00 0.31 0.06 0.00 0.00 0.00 0.00 33.01 33.38 1s6d s GLN 37 CO 0.00 -0.49 0.61 0.54 0.00 0.00 0.00 175.29 175.95 1s6d s VAL 38 N -2.40 0.01 0.10 3.63 0.11 -1.26 -5.00 120.40 115.60 1s6d s VAL 38 Ca 0.20 -0.09 -0.25 0.00 -2.93 0.00 0.00 61.98 58.91 1s6d s VAL 38 Cb -0.01 -0.94 0.08 0.00 -1.53 0.00 0.00 36.38 33.98 1s6d s VAL 38 CO 0.03 -0.05 0.71 -0.55 -3.33 0.00 0.00 175.10 171.90 1s6d s SER 39 N -1.31 -0.49 -1.03 3.54 0.15 -1.26 -5.08 113.70 108.21 1s6d s SER 39 Ca -0.11 -0.01 -0.23 0.00 0.70 0.00 0.00 55.95 56.31 1s6d s SER 39 Cb -0.01 0.52 -0.00 0.00 -1.71 0.00 0.00 66.02 64.82 1s6d s SER 39 CO 0.08 -0.85 1.74 -2.16 1.20 0.00 0.00 173.24 173.24 1s6d s PRO 40 N -3.52 3.11 0.02 5.44 0.04 -1.26 -4.84 135.00 133.99 1s6d s PRO 40 Ca 0.03 -0.93 -0.05 0.00 0.04 0.00 0.00 61.00 60.08 1s6d s PRO 40 Cb -0.01 -5.26 -0.02 0.00 0.04 0.00 0.00 34.50 29.25 1s6d s PRO 40 CO -0.11 -2.88 1.08 -0.09 0.04 0.00 0.00 177.00 175.03 1s6d h ARG 41 N 10.05 -0.09 0.00 4.56 9.65 -2.06 -3.45 114.38 133.04 1s6d h ARG 41 Ca 0.20 0.01 0.00 0.00 -1.10 0.00 0.00 59.98 59.08 1s6d h ARG 41 Cb 0.98 0.02 0.00 0.00 -1.39 0.00 0.00 29.97 29.58 1s6d h ARG 41 CO 1.33 -0.06 0.00 -1.33 2.80 0.00 0.00 179.97 182.71 1s6d n MET 42 N -2.95 0.00 0.00 0.20 2.81 -1.26 -5.17 117.12 110.75 1s6d n MET 42 Ca -0.01 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.88 1s6d n MET 42 Cb 0.06 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.57 1s6d n MET 42 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1s6d n ARG 43 N -2.88 0.00 -3.65 0.03 1.74 -1.26 -5.19 116.66 105.45 1s6d n ARG 43 Ca 0.00 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 56.94 1s6d n ARG 43 Cb 0.00 0.00 -0.08 0.00 -1.02 0.00 0.00 32.46 31.36 1s6d n ARG 43 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 1s6d s GLU 44 N -2.00 0.76 0.23 5.56 -1.05 -1.26 -5.07 118.70 115.87 1s6d s GLU 44 Ca 0.00 0.66 0.00 0.00 -0.15 0.00 0.00 54.97 55.48 1s6d s GLU 44 Cb 0.00 0.37 0.00 0.00 -0.44 0.00 0.00 34.13 34.06 1s6d s GLU 44 CO 0.00 -0.13 0.00 0.39 0.95 0.00 0.00 175.26 176.47 1s6d n GLU 45 N 2.32 0.00 -3.66 -4.83 4.71 -1.26 -5.12 120.64 112.80 1s6d n GLU 45 Ca -0.15 0.00 -0.10 0.00 -0.01 0.00 0.00 57.16 56.90 1s6d n GLU 45 Cb 0.56 0.00 -0.08 0.00 -1.01 0.00 0.00 31.44 30.91 1s6d n GLU 45 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 1s6d s ASP 46 N -4.93 -0.75 -0.12 1.62 -1.08 -1.26 -5.14 116.67 105.01 1s6d s ASP 46 Ca 0.00 1.26 -0.01 0.00 -0.52 0.00 0.00 52.55 53.28 1s6d s ASP 46 Cb 0.00 1.17 0.03 0.00 -1.46 0.00 0.00 42.92 42.66 1s6d s ASP 46 CO 0.00 -0.22 -0.04 -1.00 0.52 0.00 0.00 175.17 174.43 1s6d s HIS 47 N 1.25 1.30 0.00 -5.34 3.76 -1.26 -4.92 115.29 110.07 1s6d s HIS 47 Ca -0.07 -0.70 0.00 0.00 -0.15 0.00 0.00 55.06 54.13 1s6d s HIS 47 Cb -0.06 -1.13 0.00 0.00 1.11 0.00 0.00 32.58 32.50 1s6d s HIS 47 CO -0.13 -0.51 0.00 1.17 -0.85 0.00 0.00 174.74 174.43 1s6d n LYS 48 N 4.99 0.00 0.20 1.40 4.81 -1.26 -4.70 118.16 123.60 1s6d n LYS 48 Ca -0.11 0.00 0.13 0.00 -0.87 0.00 0.00 58.31 57.46 1s6d n LYS 48 Cb 0.49 0.00 0.27 0.00 0.02 0.00 0.00 35.03 35.81 1s6d n LYS 48 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 1s6d h GLN 49 N 0.00 0.00 0.00 1.64 4.20 -2.00 -2.62 115.11 116.33 1s6d h GLN 49 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1s6d h GLN 49 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 1s6d h GLN 49 CO 0.00 0.00 0.00 1.28 -0.67 0.00 0.00 178.83 179.44 1s6d n LEU 50 N -2.91 0.00 -0.47 1.46 4.77 -1.26 -0.16 117.00 118.43 1s6d n LEU 50 Ca 0.04 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.07 1s6d n LEU 50 Cb 0.48 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.67 1s6d n LEU 50 CO 0.32 0.00 0.53 0.00 -1.33 0.00 0.00 177.39 176.91 1s6d n MET 53 N -1.60 0.00 0.30 0.00 0.00 0.78 -1.88 117.12 114.72 1s6d n MET 53 Ca 0.00 0.65 0.17 0.00 0.00 0.00 0.00 57.70 58.52 1s6d n MET 53 Cb 0.34 -1.48 0.96 0.00 0.00 0.00 0.00 33.22 33.04 1s6d n MET 53 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 175.97 176.34 1s6d h GLN 54 N 0.00 0.00 -0.01 2.12 5.75 -1.82 0.11 115.11 121.26 1s6d h GLN 54 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1s6d h GLN 54 Cb 0.00 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.55 1s6d h GLN 54 CO 0.00 0.03 0.01 -0.07 -2.65 0.00 0.00 178.83 176.15 1s6d h LEU 55 N 0.00 0.00 0.00 -2.39 3.38 -1.66 0.46 115.31 115.10 1s6d h LEU 55 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1s6d h LEU 55 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1s6d h LEU 55 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 178.44 179.70 1s6d n LYS 56 N -4.05 0.13 -0.02 1.13 4.81 0.38 -3.10 118.16 117.44 1s6d n LYS 56 Ca -0.03 0.08 0.01 0.00 -0.87 0.00 0.00 58.31 57.51 1s6d n LYS 56 Cb 0.10 -1.50 -0.13 0.00 0.02 0.00 0.00 35.03 33.52 1s6d n LYS 56 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1s6d n ASN 57 N -1.42 0.33 -3.09 3.14 3.02 0.09 -4.99 115.26 112.34 1s6d n ASN 57 Ca 0.08 0.14 -0.17 0.00 -0.03 0.00 0.00 54.58 54.60 1s6d n ASN 57 Cb 0.24 1.01 0.14 0.00 -0.61 0.00 0.00 39.78 40.56 1s6d n ASN 57 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1s6d n LEU 58 N -2.64 0.00 -4.91 3.41 4.77 -0.83 -5.07 117.00 111.73 1s6d n LEU 58 Ca -0.14 -0.68 -0.27 0.00 -0.03 0.00 0.00 56.01 54.89 1s6d n LEU 58 Cb 0.84 -0.57 -0.00 0.00 -2.33 0.00 0.00 43.42 41.36 1s6d n LEU 58 CO 0.44 -1.55 0.40 -1.81 -1.33 0.00 0.00 177.39 173.53 1s6d s ASP 59 N -3.27 6.22 0.14 -1.43 1.01 -1.26 -5.00 116.67 113.08 1s6d s ASP 59 Ca 0.40 0.81 -0.05 0.00 0.71 0.00 0.00 52.55 54.43 1s6d s ASP 59 Cb -0.03 -2.16 -0.06 0.00 1.01 0.00 0.00 42.92 41.67 1s6d s ASP 59 CO 0.31 -0.56 1.34 -0.08 0.21 0.00 0.00 175.17 176.38 1s6d h GLU 60 N 0.30 0.47 0.00 8.23 4.81 -1.95 -0.24 114.58 126.19 1s6d h GLU 60 Ca -0.47 -0.45 0.00 0.00 -0.13 0.00 0.00 59.36 58.31 1s6d h GLU 60 Cb 1.21 0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.71 1s6d h GLU 60 CO 0.61 1.09 0.00 0.36 -0.73 0.00 0.00 179.01 180.35 1s6d n LYS 61 N -3.80 0.16 0.00 1.92 2.85 -1.26 -2.35 118.16 115.68 1s6d n LYS 61 Ca -0.06 0.19 0.12 0.00 -1.05 0.00 0.00 58.31 57.51 1s6d n LYS 61 Cb 0.79 -1.70 0.22 0.00 -0.65 0.00 0.00 35.03 33.69 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 -0.35 3.91 0.00 0.00 2.81 -0.18 -2.44 117.12 120.87 1s6d n MET 63 Ca 0.11 -3.41 0.00 0.00 -1.81 0.00 0.00 57.70 52.59 1s6d n MET 63 Cb 0.40 -2.84 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 0.20 -0.04 0.00 0.13 -1.77 -3.24 132.00 127.28 1s6d h PRO 65 Ca 0.00 -0.25 -0.01 0.00 -0.87 0.00 0.00 66.00 64.87 1s6d h PRO 65 Cb 0.00 0.08 -0.00 0.00 0.13 0.00 0.00 31.00 31.21 1s6d h PRO 65 CO 0.00 1.02 -0.02 0.00 -0.23 0.00 0.00 178.00 178.77 1s6d h ALA 66 N 0.89 0.05 -1.29 -0.56 0.00 -1.78 -3.15 119.26 113.42 1s6d h ALA 66 Ca -0.06 -0.24 0.44 0.00 0.00 0.00 0.00 54.91 55.06 1s6d h ALA 66 Cb 1.63 -0.01 -0.14 0.00 0.00 0.00 0.00 17.79 19.27 1s6d h ALA 66 CO 0.15 -0.20 0.81 0.82 0.00 0.00 0.00 179.25 180.83 1s6d h ILE 67 N -0.33 0.08 0.00 0.00 1.08 -1.69 0.31 117.51 116.96 1s6d h ILE 67 Ca 0.01 -0.02 0.00 0.00 -0.39 0.00 0.00 64.86 64.46 1s6d h ILE 67 Cb 0.47 0.01 0.00 0.00 -3.07 0.00 0.00 36.82 34.23 1s6d h ILE 67 CO 0.01 0.01 0.00 0.80 -0.69 0.00 0.00 178.15 178.28 1s6d n MET 68 N -4.79 0.00 -0.11 2.37 1.56 -1.19 -2.73 117.12 112.22 1s6d n MET 68 Ca 0.38 0.62 0.27 0.00 -0.27 0.00 0.00 57.70 58.70 1s6d n MET 68 Cb 1.44 -1.42 0.71 0.00 2.15 0.00 0.00 33.22 36.10 1s6d n MET 68 CO 0.00 0.00 0.00 0.52 -0.73 0.00 0.00 175.97 175.76 1s6d h MET 69 N 0.00 0.00 -0.74 2.12 2.86 -0.54 0.18 114.93 118.81 1s6d h MET 69 Ca 0.00 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1s6d h MET 69 Cb 0.00 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.62 1s6d h MET 69 CO 0.00 0.00 0.45 1.98 1.06 0.00 0.00 176.91 180.40 1s6d h MET 70 N 0.00 1.01 -0.87 1.72 -1.53 -1.03 -1.79 114.93 112.44 1s6d h MET 70 Ca 0.38 -0.09 -0.41 0.00 -3.44 0.00 0.00 59.70 56.13 1s6d h MET 70 Cb 1.71 -0.21 -0.25 0.00 -0.55 0.00 0.00 31.60 32.31 1s6d h MET 70 CO -0.00 0.72 0.50 1.28 0.14 0.00 0.00 176.91 179.54 1s6d n LEU 71 N -4.51 6.34 -0.06 3.39 4.77 0.59 -3.92 117.00 123.60 1s6d n LEU 71 Ca 0.07 -3.53 0.02 0.00 -0.03 0.00 0.00 56.01 52.53 1s6d n LEU 71 Cb 0.06 -0.80 -0.01 0.00 -2.33 0.00 0.00 43.42 40.35 1s6d n LEU 71 CO 0.37 1.01 0.12 0.59 -1.33 0.00 0.00 177.39 178.15 1s6d n ASN 72 N -0.92 0.63 -3.57 -1.43 5.03 -0.68 -4.53 115.26 109.79 1s6d n ASN 72 Ca 0.53 -0.81 -0.30 0.00 0.87 0.00 0.00 54.58 54.86 1s6d n ASN 72 Cb 1.55 0.60 0.28 0.00 -1.02 0.00 0.00 39.78 41.19 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 -0.93 -2.72 0.00 3.52 2.02 -1.18 -4.78 118.70 114.63 1s6d s GLU 73 Ca 0.03 0.22 0.00 0.00 0.02 0.00 0.00 54.97 55.23 1s6d s GLU 73 Cb 0.03 -1.39 0.00 0.00 0.10 0.00 0.00 34.13 32.86 1s6d s GLU 73 CO 0.11 -4.76 0.85 -0.35 0.02 0.00 0.00 175.26 171.12 1s6d n PRO 74 N -5.56 0.55 -0.36 0.39 -0.04 -1.26 -2.21 135.00 126.51 1s6d n PRO 74 Ca 0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 1s6d n PRO 74 Cb 0.59 -1.23 0.00 0.00 -0.04 0.00 0.00 33.50 32.83 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 1.28 0.00 -3.20 0.54 1.56 -1.26 -5.02 117.12 111.01 1s6d n MET 75 Ca 0.00 -0.30 -0.08 0.00 -0.27 0.00 0.00 57.70 57.05 1s6d n MET 75 Cb 0.27 -0.18 -0.04 0.00 2.15 0.00 0.00 33.22 35.43 1s6d n MET 75 CO 0.00 0.00 0.00 -1.58 -0.73 0.00 0.00 175.97 173.66 1s6d s TRP 76 N 0.00 -0.99 0.00 1.12 0.52 -0.94 -4.83 118.94 113.83 1s6d s TRP 76 Ca 0.00 -0.47 0.00 0.00 0.02 0.00 0.00 56.10 55.65 1s6d s TRP 76 Cb 0.00 -0.03 0.00 0.00 -1.15 0.00 0.00 33.47 32.29 1s6d s TRP 76 CO 0.00 -1.10 0.00 -0.89 0.02 0.00 0.00 176.95 174.98 1s6d n ILE 77 N 3.99 0.00 0.16 2.03 -0.00 -1.26 -4.02 119.36 120.26 1s6d n ILE 77 Ca 0.14 0.00 0.11 0.00 -0.00 0.00 0.00 62.75 63.00 1s6d n ILE 77 Cb 0.52 -0.12 0.27 0.00 -0.00 0.00 0.00 39.64 40.31 1s6d n ILE 77 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.55 177.09 1s6d n ARG 78 N -0.70 2.48 0.00 0.38 1.74 -1.26 -4.14 116.66 115.16 1s6d n ARG 78 Ca 0.00 -2.27 0.00 0.00 -0.77 0.00 0.00 57.85 54.81 1s6d n ARG 78 Cb 0.00 -1.51 0.00 0.00 -1.02 0.00 0.00 32.46 29.93 1s6d n ARG 78 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1s6d n MET 79 N 1.40 2.05 0.09 5.56 0.00 -1.26 -4.46 117.12 120.50 1s6d n MET 79 Ca 0.21 0.00 0.13 0.00 0.00 0.00 0.00 57.70 58.04 1s6d n MET 79 Cb 0.57 -0.84 0.36 0.00 0.00 0.00 0.00 33.22 33.31 1s6d n MET 79 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 175.97 178.86 1s6d n ARG 80 N -1.32 0.25 -0.43 3.17 1.85 -1.26 -4.02 116.66 114.91 1s6d n ARG 80 Ca 0.00 0.18 0.38 0.00 -1.00 0.00 0.00 57.85 57.40 1s6d n ARG 80 Cb 0.00 -1.76 0.71 0.00 -1.05 0.00 0.00 32.46 30.36 1s6d n ARG 80 CO 0.00 0.00 0.00 0.22 -0.01 0.00 0.00 177.63 177.84 1s6d h ASP 81 N 0.00 0.11 0.09 2.89 3.58 -1.78 0.64 116.42 121.96 1s6d h ASP 81 Ca 0.00 0.04 -0.26 0.00 0.42 0.00 0.00 57.03 57.22 1s6d h ASP 81 Cb 0.73 0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.79 1s6d h ASP 81 CO 0.00 -0.02 -1.38 -0.61 -2.88 0.00 0.00 179.24 174.35 1s6d h GLN 82 N 0.08 0.19 0.00 0.28 5.75 -1.91 -3.31 115.11 116.19 1s6d h GLN 82 Ca 0.70 -0.33 0.00 0.00 -0.15 0.00 0.00 58.65 58.86 1s6d h GLN 82 Cb 2.54 0.12 0.00 0.00 1.07 0.00 0.00 27.48 31.21 1s6d h GLN 82 CO -0.12 1.16 0.00 1.33 -2.65 0.00 0.00 178.83 178.55 1s6d n VAL 83 N -3.99 1.13 -0.08 2.39 0.24 -0.03 -2.79 118.33 115.19 1s6d n VAL 83 Ca -0.26 0.28 -0.21 0.00 -2.04 0.00 0.00 64.34 62.11 1s6d n VAL 83 Cb 0.86 -1.18 -0.12 0.00 -1.47 0.00 0.00 33.84 31.93 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 0.05 0.00 7.34 2.86 0.09 0.12 114.93 125.39 1s6d h MET 84 Ca 0.00 -0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 1s6d h MET 84 Cb 0.07 0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.76 1s6d h MET 84 CO 0.00 1.04 0.00 0.45 1.06 0.00 0.00 176.91 179.46 1s6d n SER 85 N -4.32 0.00 0.00 1.22 2.88 -1.12 -2.14 113.62 110.14 1s6d n SER 85 Ca -0.29 -1.28 0.00 0.00 -1.33 0.00 0.00 58.87 55.97 1s6d n SER 85 Cb 0.71 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.17 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 -0.64 0.01 -0.01 -1.46 2.81 -1.19 -4.56 117.12 112.07 1s6d n MET 86 Ca 0.05 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.94 1s6d n MET 86 Cb 0.02 -0.98 0.01 0.00 -0.71 0.00 0.00 33.22 31.56 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 -2.47 2.50 -0.01 3.04 0.00 0.42 -1.29 120.51 122.71 1s6d n ALA 87 Ca 0.00 -0.04 0.10 0.00 0.00 0.00 0.00 53.44 53.50 1s6d n ALA 87 Cb 0.48 -1.00 -0.17 0.00 0.00 0.00 0.00 19.45 18.77 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 -0.38 0.00 -0.03 0.00 1.44 -0.91 -4.30 115.22 111.04 1s6d n HIS 88 Ca 0.01 0.00 -0.00 0.00 -2.01 0.00 0.00 57.72 55.71 1s6d n HIS 88 Cb 0.05 -0.52 -0.09 0.00 0.12 0.00 0.00 29.99 29.56 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 -2.27 2.28 0.04 4.39 5.03 -1.06 -3.95 115.26 119.71 1s6d n ASN 89 Ca -0.05 0.00 -0.11 0.00 0.87 0.00 0.00 54.58 55.29 1s6d n ASN 89 Cb 0.59 1.12 -0.05 0.00 -1.02 0.00 0.00 39.78 40.41 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 -0.20 -0.22 3.41 3.38 -1.41 0.46 115.31 120.71 1s6d h LEU 90 Ca -0.17 0.03 -0.21 0.00 0.09 0.00 0.00 57.88 57.63 1s6d h LEU 90 Cb 1.17 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 42.01 1s6d h LEU 90 CO 0.01 -0.10 -0.92 1.55 0.09 0.00 0.00 178.44 179.07 1s6d h PRO 91 N -0.11 0.23 -0.50 1.13 0.13 -1.82 -3.14 132.00 127.93 1s6d h PRO 91 Ca 0.04 -0.27 -0.11 0.00 -0.87 0.00 0.00 66.00 64.78 1s6d h PRO 91 Cb 0.16 0.08 -0.02 0.00 0.13 0.00 0.00 31.00 31.35 1s6d h PRO 91 CO -0.09 1.00 -0.13 0.82 -0.23 0.00 0.00 178.00 179.37 1s6d h ILE 92 N 0.12 1.27 0.00 -3.56 2.04 -1.65 0.19 117.51 115.92 1s6d h ILE 92 Ca -0.06 -1.28 0.00 0.00 1.00 0.00 0.00 64.86 64.53 1s6d h ILE 92 Cb 1.56 1.06 0.00 0.00 -0.74 0.00 0.00 36.82 38.71 1s6d h ILE 92 CO 0.14 0.44 0.00 -0.33 0.00 0.00 0.00 178.15 178.41 1s6d h GLU 93 N 0.82 0.00 0.00 2.37 5.08 -0.12 0.15 114.58 122.87 1s6d h GLU 93 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1s6d h GLU 93 Cb 0.69 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.94 1s6d h GLU 93 CO 0.05 0.00 -0.71 0.00 -1.00 0.00 0.00 179.01 177.35 1s6d n ASN 95 N -1.79 -1.73 -0.05 0.00 4.05 0.51 -4.99 115.26 111.25 1s6d n ASN 95 Ca 0.04 0.00 -0.03 0.00 0.45 0.00 0.00 54.58 55.04 1s6d n ASN 95 Cb 0.39 -0.40 -0.03 0.00 1.23 0.00 0.00 39.78 40.98 1s6d n ASN 95 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 1s6d h LEU 96 N 0.00 0.00 -3.15 1.20 3.38 -0.82 -3.39 115.31 112.53 1s6d h LEU 96 Ca 0.00 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.73 1s6d h LEU 96 Cb 0.32 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1s6d h LEU 96 CO 0.00 0.61 -0.04 1.15 0.09 0.00 0.00 178.44 180.25 1s6d n MET 97 N -4.74 2.08 0.00 1.13 0.00 -1.05 -4.59 117.12 109.95 1s6d n MET 97 Ca -0.02 -2.81 0.00 0.00 0.00 0.00 0.00 57.70 54.87 1s6d n MET 97 Cb 0.11 -1.70 0.00 0.00 0.00 0.00 0.00 33.22 31.63 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 -0.98 0.00 -2.79 3.17 3.41 -1.26 -4.21 113.62 110.96 1s6d n SER 98 Ca 0.20 0.66 -0.10 0.00 -0.26 0.00 0.00 58.87 59.37 1s6d n SER 98 Cb 0.80 -0.28 0.07 0.00 -0.26 0.00 0.00 64.21 64.53 1s6d n SER 98 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1s6d n GLN 99 N -2.30 1.09 0.05 4.33 6.02 -1.26 -4.97 117.38 120.33 1s6d n GLN 99 Ca 0.00 -2.35 -0.03 0.00 -0.01 0.00 0.00 57.00 54.62 1s6d n GLN 99 Cb 0.00 -0.85 -0.01 0.00 1.02 0.00 0.00 30.24 30.39 1s6d n GLN 99 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 1s6d h PRO 100 N 2.67 -0.16 -6.19 -1.09 0.13 -1.88 -3.43 132.00 122.05 1s6d h PRO 100 Ca -0.13 0.01 -0.56 0.00 -0.87 0.00 0.00 66.00 64.45 1s6d h PRO 100 Cb 1.16 0.04 -0.03 0.00 0.13 0.00 0.00 31.00 32.29 1s6d h PRO 100 CO 0.19 -0.11 0.97 0.00 -0.23 0.00 0.00 178.00 178.81 1s6d n GLN 102 N 6.82 0.83 0.00 0.00 1.13 -1.26 -5.13 117.38 119.77 1s6d n GLN 102 Ca 0.15 -3.29 0.00 0.00 -1.94 0.00 0.00 57.00 51.92 1s6d n GLN 102 Cb 0.44 1.08 0.00 0.00 0.11 0.00 0.00 30.24 31.87 1s6d n GLN 102 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62