#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s6d h TYR 2 N 0.00 1.08 0.00 0.54 0.05 -2.07 -3.49 116.97 113.07 1s6d h TYR 2 Ca 0.00 -0.29 0.00 0.00 0.05 0.00 0.00 58.73 58.49 1s6d h TYR 2 Cb 0.00 -0.24 0.00 0.00 1.01 0.00 0.00 36.73 37.50 1s6d h TYR 2 CO 0.00 1.10 0.00 0.41 -1.05 0.00 0.00 178.16 178.62 1s6d n GLY 3 N 0.01 3.02 3.86 3.88 0.00 -1.26 -4.87 105.19 109.82 1s6d n GLY 3 Ca -0.01 -1.79 -0.30 0.00 0.00 0.00 0.00 46.02 43.92 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 -3.77 0.44 -0.11 1.61 3.52 -1.26 -5.08 118.95 114.29 1s6d s ARG 4 Ca 0.00 -0.25 0.01 0.00 -0.13 0.00 0.00 55.73 55.36 1s6d s ARG 4 Cb 0.00 -1.81 -0.01 0.00 -1.56 0.00 0.00 34.95 31.57 1s6d s ARG 4 CO 0.00 -2.57 -0.17 0.20 -0.81 0.00 0.00 175.30 171.95 1s6d s GLY 5 N -4.62 1.47 0.03 8.12 0.00 -1.26 -4.89 107.32 106.17 1s6d s GLY 5 Ca 0.72 -0.92 -0.10 0.00 0.00 0.00 0.00 44.72 44.41 1s6d s GLY 5 CO 0.53 -0.28 0.21 0.50 0.00 0.00 0.00 173.10 174.07 1s6d s ARG 6 N 0.27 0.67 -0.31 2.90 1.81 -1.26 -5.14 118.95 117.88 1s6d s ARG 6 Ca -0.12 -0.52 0.04 0.00 -1.72 0.00 0.00 55.73 53.42 1s6d s ARG 6 Cb -0.16 0.28 0.18 0.00 -0.45 0.00 0.00 34.95 34.79 1s6d s ARG 6 CO 0.06 -0.19 0.49 0.95 -0.68 0.00 0.00 175.30 175.94 1s6d s THR 7 N -2.20 -0.77 0.61 0.02 -4.23 -1.26 -4.72 115.64 103.09 1s6d s THR 7 Ca -0.08 -0.23 -0.10 0.00 -1.18 0.00 0.00 61.69 60.10 1s6d s THR 7 Cb -0.03 -0.83 0.14 0.00 1.34 0.00 0.00 72.50 73.13 1s6d s THR 7 CO -0.02 -0.18 0.77 -0.62 -0.54 0.00 0.00 174.62 174.02 1s6d n GLU 8 N 5.15 -1.06 -1.05 3.99 -0.58 -1.26 -5.04 120.64 120.78 1s6d n GLU 8 Ca 0.04 -1.19 0.00 0.00 -0.42 0.00 0.00 57.16 55.59 1s6d n GLU 8 Cb 0.51 -0.85 0.00 0.00 -0.57 0.00 0.00 31.44 30.54 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 -3.63 0.89 0.00 1.62 7.64 -1.26 -3.51 113.62 115.37 1s6d n SER 9 Ca 0.10 -0.73 0.00 0.00 1.01 0.00 0.00 58.87 59.25 1s6d n SER 9 Cb 0.35 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.55 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 5.00 3.32 0.31 0.23 0.00 -1.26 -2.59 105.19 110.20 1s6d n GLY 10 Ca 0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.08 -0.67 -0.66 0.00 5.03 -1.80 0.25 116.97 119.04 1s6d h TYR 12 Ca 0.28 0.06 0.07 0.00 2.58 0.00 0.00 58.73 61.73 1s6d h TYR 12 Cb 0.53 0.38 -0.06 0.00 1.55 0.00 0.00 36.73 39.13 1s6d h TYR 12 CO -0.60 -0.34 0.34 0.37 -1.32 0.00 0.00 178.16 176.61 1s6d h GLN 13 N -0.11 0.59 -0.74 1.82 -0.00 -0.48 -1.19 115.11 115.00 1s6d h GLN 13 Ca 0.26 -0.04 0.04 0.00 -0.00 0.00 0.00 58.65 58.91 1s6d h GLN 13 Cb 0.52 -0.13 -0.04 0.00 0.00 0.00 0.00 27.48 27.82 1s6d h GLN 13 CO -0.65 0.39 0.49 1.96 0.00 0.00 0.00 178.83 181.02 1s6d h GLN 14 N 0.61 0.85 0.15 1.69 4.20 0.72 -1.68 115.11 121.65 1s6d h GLN 14 Ca 0.31 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.97 1s6d h GLN 14 Cb 0.27 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 1s6d h GLN 14 CO -0.22 0.56 -0.18 0.52 -0.67 0.00 0.00 178.83 178.84 1s6d h MET 15 N 0.88 -0.32 -0.53 1.46 2.86 0.01 0.39 114.93 119.67 1s6d h MET 15 Ca 0.30 0.02 0.12 0.00 -2.06 0.00 0.00 59.70 58.08 1s6d h MET 15 Cb 0.09 0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.79 1s6d h MET 15 CO -0.09 -0.22 0.37 1.05 1.06 0.00 0.00 176.91 179.08 1s6d h GLU 16 N -0.34 0.21 0.00 1.72 4.11 -1.46 0.48 114.58 119.30 1s6d h GLU 16 Ca -0.02 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.40 1s6d h GLU 16 Cb 0.30 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1s6d h GLU 16 CO -0.04 0.14 0.00 1.49 0.07 0.00 0.00 179.01 180.67 1s6d h GLU 17 N 0.21 0.00 -0.91 1.06 4.81 -0.80 -3.31 114.58 115.65 1s6d h GLU 17 Ca 0.25 0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 59.14 1s6d h GLU 17 Cb 0.71 0.00 -0.33 0.00 0.63 0.00 0.00 28.75 29.76 1s6d h GLU 17 CO -0.05 0.00 -0.96 0.00 -0.73 0.00 0.00 179.01 177.27 1s6d n ALA 18 N -1.88 2.35 -1.52 2.92 0.00 0.13 -5.04 120.51 117.47 1s6d n ALA 18 Ca 0.04 -2.66 -0.20 0.00 0.00 0.00 0.00 53.44 50.61 1s6d n ALA 18 Cb 0.37 -0.97 -0.17 0.00 0.00 0.00 0.00 19.45 18.68 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 -0.07 0.21 -0.03 0.00 0.28 0.14 -4.64 120.64 116.53 1s6d n GLU 19 Ca 0.09 -0.28 -0.00 0.00 -0.16 0.00 0.00 57.16 56.81 1s6d n GLU 19 Cb 0.79 -1.97 -0.14 0.00 1.43 0.00 0.00 31.44 31.55 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 6.81 0.66 0.00 3.44 0.00 -1.26 -3.59 117.12 123.18 1s6d n MET 20 Ca 0.60 0.01 0.14 0.00 0.00 0.00 0.00 57.70 58.46 1s6d n MET 20 Cb 0.24 -1.62 0.82 0.00 0.00 0.00 0.00 33.22 32.66 1s6d n MET 20 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 175.97 175.86 1s6d n LEU 21 N -2.65 0.00 0.00 3.17 0.00 -1.26 -2.34 117.00 113.91 1s6d n LEU 21 Ca -0.17 0.06 0.12 0.00 0.00 0.00 0.00 56.01 56.02 1s6d n LEU 21 Cb 0.88 -0.06 0.53 0.00 0.00 0.00 0.00 43.42 44.77 1s6d n LEU 21 CO 0.44 -0.01 0.89 -3.20 0.00 0.00 0.00 177.39 175.52 1s6d n ASN 22 N -1.06 0.00 -0.02 1.96 2.85 -1.24 -0.97 115.26 116.79 1s6d n ASN 22 Ca 0.20 0.47 -0.04 0.00 -0.11 0.00 0.00 54.58 55.10 1s6d n ASN 22 Cb 0.12 -0.49 -0.01 0.00 1.24 0.00 0.00 39.78 40.64 1s6d n ASN 22 CO 0.00 0.00 0.00 1.41 -2.11 0.00 0.00 177.26 176.56 1s6d n HIS 23 N -1.49 0.00 0.25 1.20 8.25 -0.99 -4.02 115.22 118.42 1s6d n HIS 23 Ca 0.06 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.63 1s6d n HIS 23 Cb 0.28 -0.20 0.66 0.00 1.12 0.00 0.00 29.99 31.86 1s6d n HIS 23 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1s6d h GLY 25 N 0.81 -0.46 -0.27 0.00 0.00 -1.30 -3.14 103.07 98.72 1s6d h GLY 25 Ca -0.00 0.17 0.24 0.00 0.00 0.00 0.00 47.33 47.74 1s6d h GLY 25 CO 0.02 -0.17 0.44 -0.33 0.00 0.00 0.00 176.54 176.50 1s6d h MET 26 N -0.83 0.39 -0.82 4.80 2.86 -1.66 0.63 114.93 120.30 1s6d h MET 26 Ca -0.05 -0.02 0.15 0.00 -2.06 0.00 0.00 59.70 57.73 1s6d h MET 26 Cb 0.52 -0.09 -0.10 0.00 0.06 0.00 0.00 31.60 32.00 1s6d h MET 26 CO 0.07 0.26 0.39 -0.92 1.06 0.00 0.00 176.91 177.77 1s6d h TYR 27 N 0.40 0.67 0.00 -0.22 3.20 -1.54 0.59 116.97 120.06 1s6d h TYR 27 Ca 0.60 0.04 -0.10 0.00 3.14 0.00 0.00 58.73 62.41 1s6d h TYR 27 Cb 1.19 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 39.27 1s6d h TYR 27 CO -0.11 0.11 -1.00 -0.07 -1.64 0.00 0.00 178.16 175.46 1s6d h LEU 28 N 0.53 0.00 -1.53 2.82 3.38 -0.23 -3.28 115.31 117.00 1s6d h LEU 28 Ca 0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.43 1s6d h LEU 28 Cb 0.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1s6d h LEU 28 CO -0.40 0.36 0.00 0.80 0.09 0.00 0.00 178.44 179.29 1s6d n MET 29 N -2.92 1.97 0.08 1.13 1.56 0.17 -3.98 117.12 115.13 1s6d n MET 29 Ca -0.04 -1.50 0.02 0.00 -0.27 0.00 0.00 57.70 55.92 1s6d n MET 29 Cb 0.71 -1.34 -0.04 0.00 2.15 0.00 0.00 33.22 34.71 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 2.49 0.00 -0.01 2.12 3.64 0.08 -3.14 116.57 121.75 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 0.57 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 1s6d h LYS 30 CO 0.00 0.30 -0.71 -1.71 -2.27 0.00 0.00 179.45 175.06 1s6d n ASN 31 N -2.96 1.24 0.06 4.20 5.15 -1.26 -4.24 115.26 117.46 1s6d n ASN 31 Ca -0.05 -1.12 0.12 0.00 -0.60 0.00 0.00 54.58 52.93 1s6d n ASN 31 Cb 0.77 0.81 0.25 0.00 -0.53 0.00 0.00 39.78 41.08 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 -0.93 0.68 0.00 1.20 4.77 -1.22 -5.02 117.00 116.48 1s6d n LEU 32 Ca 0.05 0.31 0.00 0.00 -0.03 0.00 0.00 56.01 56.34 1s6d n LEU 32 Cb 0.34 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 1s6d n LEU 32 CO 0.33 -0.07 0.00 0.61 -1.33 0.00 0.00 177.39 176.93 1s6d n GLY 33 N 1.35 4.22 2.67 -0.72 0.00 -1.19 -5.04 105.19 106.49 1s6d n GLY 33 Ca 0.04 -1.32 -0.29 0.00 0.00 0.00 0.00 46.02 44.45 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 -1.80 2.49 -4.34 1.61 4.07 -1.26 -4.49 120.64 116.93 1s6d n GLU 34 Ca 0.00 -4.60 -0.35 0.00 -0.06 0.00 0.00 57.16 52.15 1s6d n GLU 34 Cb 0.00 -2.30 -0.09 0.00 -0.06 0.00 0.00 31.44 28.98 1s6d n GLU 34 CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 1s6d s ARG 35 N -2.10 3.10 -0.28 5.31 0.52 -1.26 -5.09 118.95 119.14 1s6d s ARG 35 Ca 0.34 -0.40 -0.26 0.00 -0.52 0.00 0.00 55.73 54.88 1s6d s ARG 35 Cb 0.06 -2.84 0.18 0.00 0.52 0.00 0.00 34.95 32.87 1s6d s ARG 35 CO -0.06 0.65 1.33 0.45 0.02 0.00 0.00 175.30 177.69 1s6d s SER 36 N -0.74 -0.13 -0.20 0.23 0.15 -1.26 -5.15 113.70 106.60 1s6d s SER 36 Ca 0.12 0.22 -0.04 0.00 0.70 0.00 0.00 55.95 56.94 1s6d s SER 36 Cb -0.12 0.21 0.07 0.00 -1.71 0.00 0.00 66.02 64.47 1s6d s SER 36 CO 0.02 -0.07 0.09 -1.58 1.20 0.00 0.00 173.24 172.90 1s6d s GLN 37 N -0.28 0.21 0.17 5.44 0.74 -1.26 -5.12 119.66 119.56 1s6d s GLN 37 Ca 0.06 -0.25 -0.25 0.00 0.05 0.00 0.00 55.36 54.98 1s6d s GLN 37 Cb -0.04 -1.78 0.06 0.00 1.10 0.00 0.00 33.01 32.35 1s6d s GLN 37 CO -0.11 -0.73 0.95 0.54 -0.55 0.00 0.00 175.29 175.38 1s6d s VAL 38 N 2.06 0.00 -0.70 1.34 0.11 -1.26 -5.10 120.40 116.85 1s6d s VAL 38 Ca 0.03 -0.69 0.05 0.00 -2.93 0.00 0.00 61.98 58.43 1s6d s VAL 38 Cb -0.16 -2.03 0.20 0.00 -1.53 0.00 0.00 36.38 32.86 1s6d s VAL 38 CO -0.14 0.00 0.62 -1.20 -3.33 0.00 0.00 175.10 171.05 1s6d n SER 39 N -0.50 3.42 -4.56 3.54 7.64 -1.26 -5.03 113.62 116.86 1s6d n SER 39 Ca -0.06 -3.30 -0.33 0.00 1.01 0.00 0.00 58.87 56.20 1s6d n SER 39 Cb 0.61 -0.75 -0.04 0.00 -1.01 0.00 0.00 64.21 63.01 1s6d n SER 39 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1s6d s PRO 40 N -1.84 3.00 0.10 1.43 0.04 -1.26 -4.85 135.00 131.62 1s6d s PRO 40 Ca 0.30 -0.69 -0.22 0.00 0.04 0.00 0.00 61.00 60.43 1s6d s PRO 40 Cb 0.02 -5.20 -0.07 0.00 0.04 0.00 0.00 34.50 29.30 1s6d s PRO 40 CO -0.11 -2.90 1.38 -0.09 0.04 0.00 0.00 177.00 175.32 1s6d h ARG 41 N 10.56 -0.15 -1.91 4.56 2.43 -2.08 -3.38 114.38 124.40 1s6d h ARG 41 Ca 0.15 0.01 -0.30 0.00 -0.81 0.00 0.00 59.98 59.04 1s6d h ARG 41 Cb 1.00 0.03 -0.31 0.00 -0.42 0.00 0.00 29.97 30.28 1s6d h ARG 41 CO 1.30 -0.10 -0.62 -1.64 -1.51 0.00 0.00 179.97 177.40 1s6d s MET 42 N -4.80 0.48 0.09 0.20 -1.94 -1.26 -5.14 119.30 106.93 1s6d s MET 42 Ca -0.09 -0.33 -0.26 0.00 -1.71 0.00 0.00 55.69 53.29 1s6d s MET 42 Cb 0.07 -0.56 0.08 0.00 2.01 0.00 0.00 34.83 36.43 1s6d s MET 42 CO 0.43 -1.10 0.85 1.03 -0.01 0.00 0.00 175.02 176.22 1s6d s ARG 43 N 2.05 1.07 -0.25 2.03 0.52 -1.26 -5.19 118.95 117.93 1s6d s ARG 43 Ca 0.12 -0.48 -0.37 0.00 -0.52 0.00 0.00 55.73 54.48 1s6d s ARG 43 Cb -0.14 0.44 0.15 0.00 0.52 0.00 0.00 34.95 35.92 1s6d s ARG 43 CO -0.21 -0.48 1.31 -2.00 0.02 0.00 0.00 175.30 173.95 1s6d s GLU 44 N -3.33 0.14 0.00 3.54 -6.30 -1.26 -5.05 118.70 106.44 1s6d s GLU 44 Ca 0.07 -0.05 0.00 0.00 -2.50 0.00 0.00 54.97 52.49 1s6d s GLU 44 Cb -0.01 0.06 0.00 0.00 0.00 0.00 0.00 34.13 34.18 1s6d s GLU 44 CO -0.05 -0.06 0.00 -1.91 0.02 0.00 0.00 175.26 173.26 1s6d n GLU 45 N -0.02 0.00 -4.32 4.30 2.13 -1.26 -5.18 120.64 116.29 1s6d n GLU 45 Ca 0.03 0.00 -0.20 0.00 0.66 0.00 0.00 57.16 57.66 1s6d n GLU 45 Cb 0.57 0.00 -0.11 0.00 0.27 0.00 0.00 31.44 32.17 1s6d n GLU 45 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1s6d s ASP 46 N 0.00 2.52 0.66 4.31 -1.08 -1.26 -5.15 116.67 116.67 1s6d s ASP 46 Ca 0.00 -0.93 -0.00 0.00 -0.52 0.00 0.00 52.55 51.10 1s6d s ASP 46 Cb 0.00 -0.13 0.09 0.00 -1.46 0.00 0.00 42.92 41.42 1s6d s ASP 46 CO 0.00 -0.12 0.92 -1.00 0.52 0.00 0.00 175.17 175.50 1s6d s HIS 47 N -2.50 2.10 0.00 -5.34 3.76 -1.26 -4.91 115.29 107.15 1s6d s HIS 47 Ca 0.18 -0.14 0.00 0.00 -0.15 0.00 0.00 55.06 54.95 1s6d s HIS 47 Cb -0.03 -2.93 0.00 0.00 1.11 0.00 0.00 32.58 30.73 1s6d s HIS 47 CO 0.06 -1.41 0.00 1.63 -0.85 0.00 0.00 174.74 174.17 1s6d n LYS 48 N -2.68 0.00 -0.85 1.40 4.76 -1.26 -4.94 118.16 114.59 1s6d n LYS 48 Ca 0.12 0.00 -0.03 0.00 -2.87 0.00 0.00 58.31 55.53 1s6d n LYS 48 Cb 0.60 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.76 1s6d n LYS 48 CO 0.00 0.00 0.00 0.94 -1.37 0.00 0.00 177.40 176.97 1s6d n GLN 49 N 0.00 0.00 -0.01 1.97 7.27 -1.26 -4.95 117.38 120.39 1s6d n GLN 49 Ca 0.00 -0.77 -0.16 0.00 0.07 0.00 0.00 57.00 56.13 1s6d n GLN 49 Cb 0.00 0.21 -0.11 0.00 2.41 0.00 0.00 30.24 32.75 1s6d n GLN 49 CO 0.00 0.00 0.00 -0.07 0.07 0.00 0.00 177.06 177.06 1s6d h LEU 50 N 0.11 0.37 -1.18 1.69 3.38 -1.92 -3.01 115.31 114.75 1s6d h LEU 50 Ca -0.30 -0.76 0.03 0.00 0.09 0.00 0.00 57.88 56.93 1s6d h LEU 50 Cb 1.33 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.92 1s6d h LEU 50 CO -0.13 1.08 0.56 0.00 0.09 0.00 0.00 178.44 180.04 1s6d h MET 53 N 0.00 0.00 -0.82 0.00 -1.53 -0.57 -3.00 114.93 109.00 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 0.09 0.00 -0.04 0.00 -0.55 0.00 0.00 31.60 31.10 1s6d h MET 53 CO 0.00 0.00 0.37 1.96 0.14 0.00 0.00 176.91 179.38 1s6d h GLN 54 N -0.99 1.19 -0.37 0.39 4.20 -0.92 -1.78 115.11 116.84 1s6d h GLN 54 Ca 0.00 -0.19 -0.03 0.00 0.06 0.00 0.00 58.65 58.50 1s6d h GLN 54 Cb 0.09 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 27.64 1s6d h GLN 54 CO 0.00 0.93 0.12 -0.07 -0.67 0.00 0.00 178.83 179.14 1s6d h LEU 55 N 1.18 0.49 -2.16 1.46 3.38 -0.81 0.12 115.31 118.96 1s6d h LEU 55 Ca 0.28 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1s6d h LEU 55 Cb 0.15 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1s6d h LEU 55 CO -0.03 0.47 0.00 0.50 0.09 0.00 0.00 178.44 179.47 1s6d h LYS 56 N 0.53 0.00 0.00 1.13 3.64 -1.17 -0.18 116.57 120.52 1s6d h LYS 56 Ca 0.13 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.46 1s6d h LYS 56 Cb 0.16 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 1s6d h LYS 56 CO -0.01 0.00 -1.11 -0.91 -2.27 0.00 0.00 179.45 175.15 1s6d h ASN 57 N 0.00 0.00 -3.12 4.20 2.35 -0.59 -3.48 115.58 114.95 1s6d h ASN 57 Ca 0.00 0.00 -0.40 0.00 -0.55 0.00 0.00 56.30 55.35 1s6d h ASN 57 Cb 0.07 0.00 0.21 0.00 0.05 0.00 0.00 38.32 38.66 1s6d h ASN 57 CO 0.00 0.17 -0.07 -0.76 -1.65 0.00 0.00 177.43 175.12 1s6d s LEU 58 N -5.50 -0.59 0.08 1.61 1.43 -0.08 -4.96 118.68 110.66 1s6d s LEU 58 Ca -0.01 0.98 -0.30 0.00 -1.03 0.00 0.00 54.13 53.76 1s6d s LEU 58 Cb 0.09 -2.52 -0.05 0.00 0.03 0.00 0.00 46.19 43.74 1s6d s LEU 58 CO 0.80 -5.05 1.03 -0.62 0.23 0.00 0.00 176.35 172.73 1s6d s ASP 59 N -3.06 7.35 0.50 2.29 2.15 -1.26 -4.90 116.67 119.75 1s6d s ASP 59 Ca 0.69 1.83 0.34 0.00 0.43 0.00 0.00 52.55 55.84 1s6d s ASP 59 Cb -0.16 -2.58 1.75 0.00 -0.30 0.00 0.00 42.92 41.63 1s6d s ASP 59 CO 0.59 -0.22 2.03 -0.08 -0.17 0.00 0.00 175.17 177.33 1s6d h GLU 60 N 6.11 0.00 -0.33 4.34 4.81 -1.93 0.35 114.58 127.93 1s6d h GLU 60 Ca -0.42 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.81 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 0.74 0.00 0.00 1.63 -0.73 0.00 0.00 179.01 180.65 1s6d n LYS 61 N -2.74 2.49 0.00 1.92 5.02 -1.26 -3.98 118.16 119.60 1s6d n LYS 61 Ca -0.01 -2.24 0.05 0.00 -2.02 0.00 0.00 58.31 54.09 1s6d n LYS 61 Cb 0.11 -1.51 0.01 0.00 -0.02 0.00 0.00 35.03 33.62 1s6d n LYS 61 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1s6d n MET 63 N -0.12 3.48 0.00 0.00 2.81 -0.72 -2.38 117.12 120.19 1s6d n MET 63 Ca 0.04 -3.68 0.00 0.00 -1.81 0.00 0.00 57.70 52.25 1s6d n MET 63 Cb 0.22 -3.00 0.00 0.00 -0.71 0.00 0.00 33.22 29.73 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 0.12 0.14 0.00 0.13 -1.83 -3.19 132.00 127.38 1s6d h PRO 65 Ca 0.00 -0.15 -0.29 0.00 -0.87 0.00 0.00 66.00 64.69 1s6d h PRO 65 Cb 0.00 0.05 0.02 0.00 0.13 0.00 0.00 31.00 31.20 1s6d h PRO 65 CO 0.00 0.96 -1.26 0.00 -0.23 0.00 0.00 178.00 177.47 1s6d h ALA 66 N 0.98 0.05 -1.27 -0.56 0.00 -1.79 -3.26 119.26 113.40 1s6d h ALA 66 Ca -0.04 -0.83 0.42 0.00 0.00 0.00 0.00 54.91 54.45 1s6d h ALA 66 Cb 1.60 0.07 -0.13 0.00 0.00 0.00 0.00 17.79 19.32 1s6d h ALA 66 CO 0.13 0.83 0.81 0.82 0.00 0.00 0.00 179.25 181.85 1s6d h ILE 67 N 0.15 0.16 0.21 0.00 1.08 -1.66 0.30 117.51 117.75 1s6d h ILE 67 Ca -0.17 -0.04 0.00 0.00 -0.39 0.00 0.00 64.86 64.26 1s6d h ILE 67 Cb 1.96 0.03 -0.03 0.00 -3.07 0.00 0.00 36.82 35.71 1s6d h ILE 67 CO 0.22 0.02 -0.38 -0.03 -0.69 0.00 0.00 178.15 177.29 1s6d h MET 68 N 0.12 -0.61 0.00 2.37 4.05 -1.66 -2.55 114.93 116.65 1s6d h MET 68 Ca 0.80 0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 60.25 1s6d h MET 68 Cb 2.44 0.14 -0.00 0.00 -0.80 0.00 0.00 31.60 33.38 1s6d h MET 68 CO -0.43 -0.41 -0.05 0.52 0.23 0.00 0.00 176.91 176.78 1s6d h MET 69 N -0.64 0.00 -0.62 0.39 2.86 -0.68 -1.88 114.93 114.36 1s6d h MET 69 Ca -0.02 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.64 1s6d h MET 69 Cb 0.60 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.22 1s6d h MET 69 CO -0.14 0.05 0.41 1.98 1.06 0.00 0.00 176.91 180.27 1s6d h MET 70 N 0.00 0.76 -0.95 1.72 -1.53 -0.61 0.15 114.93 114.46 1s6d h MET 70 Ca -0.00 -0.05 -0.41 0.00 -3.44 0.00 0.00 59.70 55.80 1s6d h MET 70 Cb 0.11 -0.17 -0.24 0.00 -0.55 0.00 0.00 31.60 30.75 1s6d h MET 70 CO 0.01 0.50 0.52 1.28 0.14 0.00 0.00 176.91 179.36 1s6d n LEU 71 N -4.45 6.24 0.00 3.39 4.77 -0.71 -4.03 117.00 122.20 1s6d n LEU 71 Ca 0.07 -3.31 0.00 0.00 -0.03 0.00 0.00 56.01 52.74 1s6d n LEU 71 Cb 0.10 -0.79 0.00 0.00 -2.33 0.00 0.00 43.42 40.40 1s6d n LEU 71 CO 0.35 0.94 0.33 0.59 -1.33 0.00 0.00 177.39 178.28 1s6d n ASN 72 N -0.79 0.91 -4.25 -1.43 5.03 0.03 -4.79 115.26 109.97 1s6d n ASN 72 Ca 0.50 -1.41 -0.30 0.00 0.87 0.00 0.00 54.58 54.24 1s6d n ASN 72 Cb 1.50 0.00 0.18 0.00 -1.02 0.00 0.00 39.78 40.44 1s6d n ASN 72 CO 0.00 0.00 0.00 -1.83 -1.83 0.00 0.00 177.26 173.60 1s6d s GLU 73 N -0.41 0.50 0.00 3.52 -1.05 -1.16 -4.81 118.70 115.28 1s6d s GLU 73 Ca 0.00 -0.18 -0.03 0.00 -0.15 0.00 0.00 54.97 54.61 1s6d s GLU 73 Cb 0.00 -1.81 -0.11 0.00 -0.44 0.00 0.00 34.13 31.77 1s6d s GLU 73 CO 0.00 -2.55 2.07 -0.35 0.95 0.00 0.00 175.26 175.38 1s6d n PRO 74 N -3.91 1.05 -0.39 -4.83 -0.04 -1.26 -2.54 135.00 123.07 1s6d n PRO 74 Ca 0.13 -0.43 -0.01 0.00 -0.04 0.00 0.00 63.50 63.15 1s6d n PRO 74 Cb 0.60 -1.61 -0.01 0.00 -0.04 0.00 0.00 33.50 32.43 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 2.37 0.00 -2.83 0.54 1.56 -1.26 -5.03 117.12 112.48 1s6d n MET 75 Ca 0.18 -0.15 -0.09 0.00 -0.27 0.00 0.00 57.70 57.37 1s6d n MET 75 Cb 0.49 0.16 0.02 0.00 2.15 0.00 0.00 33.22 36.04 1s6d n MET 75 CO 0.00 0.00 0.00 0.91 -0.73 0.00 0.00 175.97 176.15 1s6d n TRP 76 N 0.00 -3.11 0.00 1.12 7.02 -1.05 -4.89 117.44 116.53 1s6d n TRP 76 Ca -0.04 -1.88 0.00 0.00 -1.02 0.00 0.00 57.50 54.56 1s6d n TRP 76 Cb 0.31 1.30 0.00 0.00 -2.42 0.00 0.00 31.31 30.50 1s6d n TRP 76 CO 0.00 0.00 0.00 -0.89 -2.02 0.00 0.00 177.69 174.78 1s6d n ILE 77 N 2.07 0.00 1.20 -0.99 2.08 -1.26 -4.33 119.36 118.13 1s6d n ILE 77 Ca 0.14 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.45 1s6d n ILE 77 Cb 0.59 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.48 1s6d n ILE 77 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 1s6d n ARG 78 N 0.00 1.00 -0.05 0.38 5.12 -1.26 -3.20 116.66 118.64 1s6d n ARG 78 Ca 0.00 -0.00 -0.07 0.00 -1.93 0.00 0.00 57.85 55.85 1s6d n ARG 78 Cb 0.00 -1.40 -0.06 0.00 -1.16 0.00 0.00 32.46 29.84 1s6d n ARG 78 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1s6d n MET 79 N -0.10 0.73 0.24 5.56 0.00 -1.26 -4.46 117.12 117.83 1s6d n MET 79 Ca 0.00 0.05 0.16 0.00 0.00 0.00 0.00 57.70 57.91 1s6d n MET 79 Cb 0.20 -1.23 0.81 0.00 0.00 0.00 0.00 33.22 33.00 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 -1.65 3.17 0.11 -1.80 -2.94 114.38 111.27 1s6d h ARG 80 Ca -0.25 0.00 0.51 0.00 0.10 0.00 0.00 59.98 60.34 1s6d h ARG 80 Cb 1.42 0.00 -0.10 0.00 1.11 0.00 0.00 29.97 32.40 1s6d h ARG 80 CO -0.03 0.00 1.14 0.22 0.10 0.00 0.00 179.97 181.40 1s6d h ASP 81 N 0.00 0.10 0.08 0.08 3.58 -1.78 0.98 116.42 119.46 1s6d h ASP 81 Ca 0.00 0.07 -0.26 0.00 0.42 0.00 0.00 57.03 57.26 1s6d h ASP 81 Cb 0.14 0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.24 1s6d h ASP 81 CO 0.00 -0.10 -1.35 -0.61 -2.88 0.00 0.00 179.24 174.30 1s6d h GLN 82 N 0.02 0.17 0.00 0.28 5.75 -1.86 -3.33 115.11 116.14 1s6d h GLN 82 Ca 0.88 -0.28 0.00 0.00 -0.15 0.00 0.00 58.65 59.09 1s6d h GLN 82 Cb 3.20 0.11 0.00 0.00 1.07 0.00 0.00 27.48 31.85 1s6d h GLN 82 CO -0.20 1.14 0.00 1.33 -2.65 0.00 0.00 178.83 178.44 1s6d n VAL 83 N -4.05 1.21 0.00 2.39 0.24 0.60 -3.42 118.33 115.30 1s6d n VAL 83 Ca -0.27 0.30 0.00 0.00 -2.04 0.00 0.00 64.34 62.34 1s6d n VAL 83 Cb 0.83 -1.15 0.00 0.00 -1.47 0.00 0.00 33.84 32.05 1s6d n VAL 83 CO 0.00 0.00 0.00 0.23 -2.14 0.00 0.00 176.83 174.92 1s6d n MET 84 N -1.44 0.00 0.21 7.34 2.81 0.31 0.13 117.12 126.48 1s6d n MET 84 Ca 0.03 0.30 0.14 0.00 -1.81 0.00 0.00 57.70 56.35 1s6d n MET 84 Cb 0.10 -0.89 0.51 0.00 -0.71 0.00 0.00 33.22 32.23 1s6d n MET 84 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1s6d h SER 85 N 0.00 0.00 0.17 7.83 0.87 -1.70 0.73 113.55 121.45 1s6d h SER 85 Ca 0.00 0.00 -0.35 0.00 -1.23 0.00 0.00 61.79 60.21 1s6d h SER 85 Cb 0.00 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 61.90 1s6d h SER 85 CO 0.00 0.00 -2.13 0.23 -0.53 0.00 0.00 176.83 174.40 1s6d n MET 86 N -2.97 0.68 0.00 2.24 2.81 -1.23 -3.87 117.12 114.78 1s6d n MET 86 Ca 0.04 0.16 0.06 0.00 -1.81 0.00 0.00 57.70 56.15 1s6d n MET 86 Cb 0.78 -1.63 0.32 0.00 -0.71 0.00 0.00 33.22 31.97 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 -2.82 1.80 0.41 3.04 0.00 0.35 0.12 120.51 123.40 1s6d n ALA 87 Ca -0.30 -0.06 0.09 0.00 0.00 0.00 0.00 53.44 53.16 1s6d n ALA 87 Cb 1.08 -1.19 -0.12 0.00 0.00 0.00 0.00 19.45 19.21 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 -1.17 0.00 0.02 0.00 8.25 -0.60 -4.28 115.22 117.44 1s6d n HIS 88 Ca 0.07 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.55 1s6d n HIS 88 Cb 0.07 -0.22 -0.03 0.00 1.12 0.00 0.00 29.99 30.93 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 -1.79 3.56 0.06 0.41 5.03 -0.39 -3.94 115.26 118.20 1s6d n ASN 89 Ca -0.00 -0.07 -0.13 0.00 0.87 0.00 0.00 54.58 55.25 1s6d n ASN 89 Cb 0.38 1.18 -0.09 0.00 -1.02 0.00 0.00 39.78 40.23 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 -0.16 -0.05 3.41 3.38 0.67 -0.66 115.31 121.89 1s6d h LEU 90 Ca 0.00 -0.34 -0.26 0.00 0.09 0.00 0.00 57.88 57.38 1s6d h LEU 90 Cb 0.19 0.04 0.02 0.00 0.09 0.00 0.00 40.66 40.99 1s6d h LEU 90 CO 0.00 0.29 -1.03 1.55 0.09 0.00 0.00 178.44 179.33 1s6d h PRO 91 N -0.65 0.58 -0.51 1.13 0.13 -1.79 -2.97 132.00 127.92 1s6d h PRO 91 Ca -0.02 -0.65 0.01 0.00 -0.87 0.00 0.00 66.00 64.47 1s6d h PRO 91 Cb 0.49 0.19 -0.03 0.00 0.13 0.00 0.00 31.00 31.78 1s6d h PRO 91 CO 0.03 1.25 0.33 0.82 -0.23 0.00 0.00 178.00 180.20 1s6d h ILE 92 N 0.32 1.11 0.00 -3.56 2.04 -1.68 0.33 117.51 116.07 1s6d h ILE 92 Ca -0.12 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.51 1s6d h ILE 92 Cb 1.68 0.38 0.00 0.00 -0.74 0.00 0.00 36.82 38.15 1s6d h ILE 92 CO 0.19 0.12 0.00 -0.33 0.00 0.00 0.00 178.15 178.14 1s6d h GLU 93 N 0.67 0.00 0.00 2.37 4.39 -1.15 0.15 114.58 121.00 1s6d h GLU 93 Ca 0.19 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.89 1s6d h GLU 93 Cb -0.05 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.60 1s6d h GLU 93 CO -0.06 0.00 -0.54 0.00 -1.16 0.00 0.00 179.01 177.25 1s6d n ASN 95 N -1.66 -1.59 -0.06 0.00 4.05 0.54 -4.98 115.26 111.54 1s6d n ASN 95 Ca 0.05 0.00 -0.04 0.00 0.45 0.00 0.00 54.58 55.04 1s6d n ASN 95 Cb 0.36 -0.44 -0.03 0.00 1.23 0.00 0.00 39.78 40.90 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 -2.96 1.20 3.38 -0.59 -3.40 115.31 112.94 1s6d h LEU 96 Ca 0.00 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 1s6d h LEU 96 Cb 0.53 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 1s6d h LEU 96 CO 0.00 0.68 -0.34 1.15 0.09 0.00 0.00 178.44 180.01 1s6d n MET 97 N -4.70 1.31 0.00 1.13 0.00 -1.13 -4.50 117.12 109.23 1s6d n MET 97 Ca -0.05 -2.86 0.00 0.00 0.00 0.00 0.00 57.70 54.79 1s6d n MET 97 Cb 0.16 -1.43 0.00 0.00 0.00 0.00 0.00 33.22 31.95 1s6d n MET 97 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 1s6d n SER 98 N -1.10 0.00 -2.75 3.17 2.88 -1.26 -4.26 113.62 110.30 1s6d n SER 98 Ca 0.16 0.85 -0.09 0.00 -1.33 0.00 0.00 58.87 58.46 1s6d n SER 98 Cb 0.70 -0.41 0.09 0.00 -0.75 0.00 0.00 64.21 63.83 1s6d n SER 98 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1s6d n GLN 99 N -2.77 1.11 0.05 -1.46 6.02 -1.26 -4.96 117.38 114.11 1s6d n GLN 99 Ca 0.00 -2.14 -0.02 0.00 -0.01 0.00 0.00 57.00 54.82 1s6d n GLN 99 Cb 0.00 -0.67 -0.01 0.00 1.02 0.00 0.00 30.24 30.58 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 2.56 -0.16 0.00 -1.09 0.13 -1.89 -3.46 132.00 128.08 1s6d h PRO 100 Ca -0.16 0.01 -0.24 0.00 -0.87 0.00 0.00 66.00 64.74 1s6d h PRO 100 Cb 1.19 0.04 0.12 0.00 0.13 0.00 0.00 31.00 32.47 1s6d h PRO 100 CO 0.11 -0.10 0.08 0.00 -0.23 0.00 0.00 178.00 177.86 1s6d n GLN 102 N -3.49 0.86 0.00 0.00 1.13 -1.26 -5.14 117.38 109.49 1s6d n GLN 102 Ca 0.09 -2.99 0.00 0.00 -1.94 0.00 0.00 57.00 52.16 1s6d n GLN 102 Cb 0.36 1.08 0.00 0.00 0.11 0.00 0.00 30.24 31.79 1s6d n GLN 102 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62