#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 -2.43 0.00 0.54 4.01 -1.26 -5.08 117.16 112.95 1s6d n TYR 2 Ca 0.00 -1.89 0.00 0.00 -0.16 0.00 0.00 57.90 55.85 1s6d n TYR 2 Cb 0.00 1.59 0.00 0.00 -0.31 0.00 0.00 39.34 40.62 1s6d n TYR 2 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1s6d n GLY 3 N -0.48 2.54 2.82 2.72 0.00 -1.26 -5.11 105.19 106.43 1s6d n GLY 3 Ca -0.03 -0.77 -0.16 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.09 0.20 0.00 1.61 6.06 -1.26 -5.13 118.95 118.33 1s6d s ARG 4 Ca 0.00 0.07 0.00 0.00 -2.50 0.00 0.00 55.73 53.30 1s6d s ARG 4 Cb 0.00 -0.37 0.00 0.00 0.06 0.00 0.00 34.95 34.64 1s6d s ARG 4 CO 0.00 -0.11 0.00 0.41 -2.50 0.00 0.00 175.30 173.10 1s6d n GLY 5 N 3.93 3.96 3.18 8.12 0.00 -1.26 -4.28 105.19 118.84 1s6d n GLY 5 Ca -0.25 -0.26 0.04 0.00 0.00 0.00 0.00 46.02 45.56 1s6d n GLY 5 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1s6d s ARG 6 N -1.23 0.07 0.27 1.61 3.52 -1.26 -4.93 118.95 117.00 1s6d s ARG 6 Ca 0.00 0.15 -0.20 0.00 -0.13 0.00 0.00 55.73 55.55 1s6d s ARG 6 Cb 0.00 0.09 0.05 0.00 -1.56 0.00 0.00 34.95 33.53 1s6d s ARG 6 CO 0.00 -0.05 0.86 0.95 -0.81 0.00 0.00 175.30 176.25 1s6d s THR 7 N 2.52 0.00 0.00 4.11 -4.23 -1.26 -5.08 115.64 111.70 1s6d s THR 7 Ca -0.04 -0.84 0.00 0.00 -1.18 0.00 0.00 61.69 59.63 1s6d s THR 7 Cb -0.05 -2.52 0.00 0.00 1.34 0.00 0.00 72.50 71.27 1s6d s THR 7 CO -0.12 0.00 0.00 -1.84 -0.54 0.00 0.00 174.62 172.12 1s6d n GLU 8 N -0.54 2.84 0.00 3.99 0.28 -1.26 -5.09 120.64 120.86 1s6d n GLU 8 Ca -0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.94 1s6d n GLU 8 Cb 0.60 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.47 1s6d n GLU 8 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 1s6d n SER 9 N 0.00 -1.17 0.00 -1.84 3.41 -1.26 -4.64 113.62 108.12 1s6d n SER 9 Ca 0.00 -0.23 0.00 0.00 -0.26 0.00 0.00 58.87 58.38 1s6d n SER 9 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1s6d n SER 9 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1s6d n GLY 10 N 1.41 0.48 0.17 5.00 0.00 -1.26 -4.59 105.19 106.40 1s6d n GLY 10 Ca 0.00 -0.69 -0.07 0.00 0.00 0.00 0.00 46.02 45.26 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 -3.22 0.21 -0.21 0.00 9.36 -1.26 -0.14 117.16 121.90 1s6d n TYR 12 Ca -0.05 1.22 -0.03 0.00 3.32 0.00 0.00 57.90 62.36 1s6d n TYR 12 Cb 0.17 -0.98 0.08 0.00 -0.63 0.00 0.00 39.34 37.97 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 0.64 0.00 2.98 5.75 -1.83 0.15 115.11 122.80 1s6d h GLN 13 Ca 0.42 -0.04 -0.03 0.00 -0.15 0.00 0.00 58.65 58.85 1s6d h GLN 13 Cb 0.67 -0.15 -0.00 0.00 1.07 0.00 0.00 27.48 29.07 1s6d h GLN 13 CO -1.01 0.43 -0.13 -0.56 -2.65 0.00 0.00 178.83 174.91 1s6d h GLN 14 N 0.66 0.00 0.96 1.69 3.07 0.15 -3.25 115.11 118.39 1s6d h GLN 14 Ca 0.27 0.00 -0.05 0.00 0.09 0.00 0.00 58.65 58.96 1s6d h GLN 14 Cb 0.12 0.00 0.01 0.00 0.08 0.00 0.00 27.48 27.69 1s6d h GLN 14 CO -0.15 0.13 -0.46 1.98 0.09 0.00 0.00 178.83 180.41 1s6d h MET 15 N 0.00 -1.25 -0.94 0.06 4.05 0.19 -0.71 114.93 116.33 1s6d h MET 15 Ca -0.00 0.08 0.22 0.00 -0.28 0.00 0.00 59.70 59.72 1s6d h MET 15 Cb 0.32 0.28 -0.07 0.00 -0.80 0.00 0.00 31.60 31.33 1s6d h MET 15 CO 0.02 -0.83 0.62 1.05 0.23 0.00 0.00 176.91 177.99 1s6d h GLU 16 N -1.32 0.40 0.00 0.39 4.11 -1.54 0.48 114.58 117.09 1s6d h GLU 16 Ca -0.13 -0.02 -0.10 0.00 0.07 0.00 0.00 59.36 59.18 1s6d h GLU 16 Cb 0.99 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.14 1s6d h GLU 16 CO 0.22 0.26 -0.47 1.49 0.07 0.00 0.00 179.01 180.58 1s6d h GLU 17 N 0.41 0.00 -1.90 1.06 4.81 -1.56 -3.26 114.58 114.13 1s6d h GLU 17 Ca 0.50 0.00 -0.51 0.00 -0.13 0.00 0.00 59.36 59.22 1s6d h GLU 17 Cb 1.24 0.00 -0.41 0.00 0.63 0.00 0.00 28.75 30.22 1s6d h GLU 17 CO -0.20 0.47 -0.99 0.00 -0.73 0.00 0.00 179.01 177.56 1s6d n ALA 18 N -2.41 3.28 -1.51 2.92 0.00 0.51 -5.06 120.51 118.24 1s6d n ALA 18 Ca -0.01 -3.84 -0.26 0.00 0.00 0.00 0.00 53.44 49.33 1s6d n ALA 18 Cb 0.51 -0.84 -0.18 0.00 0.00 0.00 0.00 19.45 18.94 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 0.01 0.10 0.13 0.00 0.28 0.14 -4.69 120.64 116.61 1s6d n GLU 19 Ca 0.26 -0.09 0.05 0.00 -0.16 0.00 0.00 57.16 57.22 1s6d n GLU 19 Cb 0.60 -1.51 0.03 0.00 1.43 0.00 0.00 31.44 31.98 1s6d n GLU 19 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1s6d h MET 20 N 11.80 0.00 -2.09 3.44 -0.00 -1.88 -3.36 114.93 122.84 1s6d h MET 20 Ca 0.00 0.00 -0.57 0.00 -0.00 0.00 0.00 59.70 59.13 1s6d h MET 20 Cb 1.17 0.00 -0.40 0.00 -0.00 0.00 0.00 31.60 32.37 1s6d h MET 20 CO 1.48 0.29 -0.94 1.28 -0.00 0.00 0.00 176.91 179.02 1s6d n LEU 21 N -3.05 1.28 0.00 -0.10 4.77 -1.26 -4.30 117.00 114.33 1s6d n LEU 21 Ca -0.00 -4.91 0.00 0.00 -0.03 0.00 0.00 56.01 51.06 1s6d n LEU 21 Cb 0.69 0.22 0.00 0.00 -2.33 0.00 0.00 43.42 42.00 1s6d n LEU 21 CO 0.40 2.05 -0.13 -3.20 -1.33 0.00 0.00 177.39 175.17 1s6d n ASN 22 N 1.31 0.86 -0.00 -1.43 2.85 -1.26 -4.70 115.26 112.90 1s6d n ASN 22 Ca 0.24 0.00 -0.11 0.00 -0.11 0.00 0.00 54.58 54.60 1s6d n ASN 22 Cb 0.49 0.00 -0.09 0.00 1.24 0.00 0.00 39.78 41.42 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 -0.09 -0.03 1.20 3.86 -1.87 -2.51 115.15 115.70 1s6d h HIS 23 Ca 0.00 -0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.22 1s6d h HIS 23 Cb 0.27 0.03 -0.00 0.00 1.06 0.00 0.00 27.41 28.77 1s6d h HIS 23 CO 0.00 0.47 0.28 0.00 0.86 0.00 0.00 177.93 179.54 1s6d h GLY 25 N 0.00 0.60 0.70 0.00 0.00 -1.73 -3.10 103.07 99.53 1s6d h GLY 25 Ca 0.02 -0.47 0.08 0.00 0.00 0.00 0.00 47.33 46.96 1s6d h GLY 25 CO -0.00 0.43 0.63 -0.33 0.00 0.00 0.00 176.54 177.27 1s6d h MET 26 N 0.33 1.05 -0.48 4.80 2.86 -0.75 0.54 114.93 123.27 1s6d h MET 26 Ca 0.08 -0.06 0.08 0.00 -2.06 0.00 0.00 59.70 57.74 1s6d h MET 26 Cb 0.51 -0.24 -0.03 0.00 0.06 0.00 0.00 31.60 31.90 1s6d h MET 26 CO 0.02 0.69 0.33 -0.92 1.06 0.00 0.00 176.91 178.10 1s6d h TYR 27 N 1.08 0.31 0.00 -0.22 3.20 -1.54 0.18 116.97 119.97 1s6d h TYR 27 Ca 0.44 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.29 1s6d h TYR 27 Cb 0.27 -0.10 -0.00 0.00 1.54 0.00 0.00 36.73 38.43 1s6d h TYR 27 CO -0.00 0.16 -1.62 1.28 -1.64 0.00 0.00 178.16 176.34 1s6d n LEU 28 N -4.46 0.36 -1.01 2.82 4.77 0.24 -3.88 117.00 115.84 1s6d n LEU 28 Ca 0.07 0.14 0.09 0.00 -0.03 0.00 0.00 56.01 56.28 1s6d n LEU 28 Cb 0.34 0.00 0.25 0.00 -2.33 0.00 0.00 43.42 41.68 1s6d n LEU 28 CO 0.35 -0.04 0.71 0.80 -1.33 0.00 0.00 177.39 177.87 1s6d n MET 29 N -2.47 2.27 0.14 3.23 1.56 0.16 -3.86 117.12 118.16 1s6d n MET 29 Ca -0.04 -1.97 0.11 0.00 -0.27 0.00 0.00 57.70 55.53 1s6d n MET 29 Cb 0.60 -1.43 0.05 0.00 2.15 0.00 0.00 33.22 34.59 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 3.25 0.00 0.00 2.12 3.11 -0.79 -3.29 116.57 120.97 1s6d h LYS 30 Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 1s6d h LYS 30 Cb 0.74 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.97 1s6d h LYS 30 CO 0.00 0.03 -1.08 -1.71 -2.81 0.00 0.00 179.45 173.88 1s6d n ASN 31 N -2.85 0.90 0.22 4.20 5.15 -1.25 -4.33 115.26 117.31 1s6d n ASN 31 Ca 0.01 -0.60 0.10 0.00 -0.60 0.00 0.00 54.58 53.50 1s6d n ASN 31 Cb 0.57 1.24 0.44 0.00 -0.53 0.00 0.00 39.78 41.50 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 0.00 0.00 0.00 1.20 3.38 -1.68 -3.46 115.31 114.75 1s6d h LEU 32 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1s6d h LEU 32 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1s6d h LEU 32 CO 0.00 0.21 0.00 0.61 0.09 0.00 0.00 178.44 179.35 1s6d n GLY 33 N 0.24 0.61 3.52 0.83 0.00 -1.25 -4.84 105.19 104.30 1s6d n GLY 33 Ca 0.00 -0.01 -0.20 0.00 0.00 0.00 0.00 46.02 45.81 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 0.00 0.21 -4.80 1.61 0.00 -1.26 -4.89 120.64 111.51 1s6d n GLU 34 Ca 0.00 -0.29 -0.31 0.00 0.00 0.00 0.00 57.16 56.56 1s6d n GLU 34 Cb 0.00 -1.97 -0.13 0.00 0.00 0.00 0.00 31.44 29.34 1s6d n GLU 34 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.13 176.15 1s6d s ARG 35 N 7.74 2.15 -0.69 5.31 1.70 -1.26 -5.04 118.95 128.85 1s6d s ARG 35 Ca 1.18 -0.93 0.02 0.00 -0.47 0.00 0.00 55.73 55.54 1s6d s ARG 35 Cb -0.61 -2.20 0.17 0.00 -0.57 0.00 0.00 34.95 31.74 1s6d s ARG 35 CO 0.40 0.56 0.49 -1.12 -1.08 0.00 0.00 175.30 174.54 1s6d s SER 36 N -1.19 5.00 -0.30 -2.89 0.01 -1.26 -4.99 113.70 108.09 1s6d s SER 36 Ca 0.13 -3.50 -0.18 0.00 1.31 0.00 0.00 55.95 53.71 1s6d s SER 36 Cb -0.10 -1.72 0.19 0.00 0.21 0.00 0.00 66.02 64.60 1s6d s SER 36 CO 0.03 -0.18 1.26 0.00 0.41 0.00 0.00 173.24 174.76 1s6d s GLN 37 N -0.97 0.11 -0.28 12.44 -2.07 -1.26 -5.05 119.66 122.58 1s6d s GLN 37 Ca 0.22 0.17 0.19 0.00 -1.82 0.00 0.00 55.36 54.13 1s6d s GLN 37 Cb -0.12 0.03 0.49 0.00 -1.09 0.00 0.00 33.01 32.32 1s6d s GLN 37 CO -0.10 -0.02 1.09 1.55 -1.32 0.00 0.00 175.29 176.49 1s6d n VAL 38 N 2.78 1.40 -2.97 3.63 3.14 -1.26 -4.95 118.33 120.10 1s6d n VAL 38 Ca -0.16 -3.17 -0.01 0.00 -2.96 0.00 0.00 64.34 58.04 1s6d n VAL 38 Cb 0.57 0.80 0.00 0.00 -1.06 0.00 0.00 33.84 34.15 1s6d n VAL 38 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 1s6d s SER 39 N -3.63 -1.42 0.80 6.55 0.15 -1.26 -5.16 113.70 109.73 1s6d s SER 39 Ca 0.31 -1.19 0.00 0.00 0.70 0.00 0.00 55.95 55.77 1s6d s SER 39 Cb 0.36 1.83 0.00 0.00 -1.71 0.00 0.00 66.02 66.51 1s6d s SER 39 CO -0.02 -0.11 0.00 -0.81 1.20 0.00 0.00 173.24 173.51 1s6d n PRO 40 N 3.66 -0.40 0.11 5.44 -0.04 -1.26 -5.05 135.00 137.46 1s6d n PRO 40 Ca 0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.60 1s6d n PRO 40 Cb 0.57 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.03 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 -1.10 0.00 -3.72 0.54 3.00 -1.26 -5.16 116.66 108.95 1s6d n ARG 41 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 57.85 57.75 1s6d n ARG 41 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 32.46 32.40 1s6d n ARG 41 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.63 175.99 1s6d s MET 42 N -1.49 0.99 -0.67 -0.14 -1.94 -1.26 -5.11 119.30 109.69 1s6d s MET 42 Ca 0.00 -0.81 0.05 0.00 -1.71 0.00 0.00 55.69 53.22 1s6d s MET 42 Cb 0.00 0.42 0.20 0.00 2.01 0.00 0.00 34.83 37.46 1s6d s MET 42 CO 0.00 -0.36 0.57 0.54 -0.01 0.00 0.00 175.02 175.75 1s6d n ARG 43 N -0.16 1.95 -0.59 2.03 1.74 -1.26 -5.10 116.66 115.27 1s6d n ARG 43 Ca -0.15 -4.46 -0.14 0.00 -0.77 0.00 0.00 57.85 52.32 1s6d n ARG 43 Cb 0.63 -2.22 0.12 0.00 -1.02 0.00 0.00 32.46 29.96 1s6d n ARG 43 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1s6d n GLU 44 N 1.64 -1.74 -0.93 5.56 2.13 -1.26 -4.82 120.64 121.22 1s6d n GLU 44 Ca 0.24 -0.87 -0.34 0.00 0.66 0.00 0.00 57.16 56.85 1s6d n GLU 44 Cb 0.38 -0.76 -0.09 0.00 0.27 0.00 0.00 31.44 31.24 1s6d n GLU 44 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1s6d n GLU 45 N -2.95 0.00 -1.01 5.31 2.13 -1.26 -4.80 120.64 118.06 1s6d n GLU 45 Ca 0.07 0.00 -0.36 0.00 0.66 0.00 0.00 57.16 57.53 1s6d n GLU 45 Cb 0.28 -1.01 0.04 0.00 0.27 0.00 0.00 31.44 31.03 1s6d n GLU 45 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 1s6d n ASP 46 N 6.10 -5.47 -4.44 4.31 5.75 -1.26 -4.83 116.55 116.71 1s6d n ASP 46 Ca 0.41 0.24 -0.37 0.00 -0.01 0.00 0.00 54.79 55.05 1s6d n ASP 46 Cb -0.00 -0.81 0.05 0.00 -1.03 0.00 0.00 41.12 39.33 1s6d n ASP 46 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 1s6d n HIS 47 N -2.51 -0.99 0.00 2.11 8.25 -1.26 -4.81 115.22 116.02 1s6d n HIS 47 Ca -0.00 0.38 0.00 0.00 -0.26 0.00 0.00 57.72 57.84 1s6d n HIS 47 Cb 0.55 -1.91 0.00 0.00 1.12 0.00 0.00 29.99 29.75 1s6d n HIS 47 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1s6d n LYS 48 N -0.22 0.00 -0.64 -0.41 3.00 -1.26 -4.97 118.16 113.67 1s6d n LYS 48 Ca 0.10 0.00 0.03 0.00 -0.00 0.00 0.00 58.31 58.44 1s6d n LYS 48 Cb 0.49 0.00 0.05 0.00 0.00 0.00 0.00 35.03 35.57 1s6d n LYS 48 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 1s6d n GLN 49 N -1.64 0.36 0.25 1.64 6.02 -1.26 -4.76 117.38 118.00 1s6d n GLN 49 Ca 0.00 -1.68 0.13 0.00 -0.01 0.00 0.00 57.00 55.44 1s6d n GLN 49 Cb 0.00 -0.67 0.61 0.00 1.02 0.00 0.00 30.24 31.20 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 0.28 0.00 0.00 1.08 3.38 -1.93 -0.14 115.31 118.00 1s6d h LEU 50 Ca -0.05 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.80 1s6d h LEU 50 Cb 1.40 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.13 1s6d h LEU 50 CO 0.02 0.13 -0.64 0.00 0.09 0.00 0.00 178.44 178.03 1s6d n MET 53 N -2.76 0.00 0.23 0.00 0.00 -0.07 -3.09 117.12 111.42 1s6d n MET 53 Ca -0.02 0.09 0.11 0.00 0.00 0.00 0.00 57.70 57.88 1s6d n MET 53 Cb 0.06 -0.88 0.69 0.00 0.00 0.00 0.00 33.22 33.09 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 0.00 0.00 -0.67 2.12 1.08 -1.59 0.93 115.11 116.98 1s6d h GLN 54 Ca 0.00 0.00 0.17 0.00 -1.45 0.00 0.00 58.65 57.37 1s6d h GLN 54 Cb 0.00 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.39 1s6d h GLN 54 CO 0.00 0.00 0.47 -0.07 -0.95 0.00 0.00 178.83 178.28 1s6d h LEU 55 N 0.00 0.16 -0.04 1.46 3.38 -1.25 0.24 115.31 119.26 1s6d h LEU 55 Ca 0.04 0.01 -0.26 0.00 0.09 0.00 0.00 57.88 57.76 1s6d h LEU 55 Cb 0.16 -0.02 0.02 0.00 0.09 0.00 0.00 40.66 40.91 1s6d h LEU 55 CO -0.00 0.08 -0.97 0.50 0.09 0.00 0.00 178.44 178.14 1s6d h LYS 56 N 0.16 0.73 -0.04 1.13 1.63 -0.74 -3.08 116.57 116.37 1s6d h LYS 56 Ca 0.33 -0.73 0.01 0.00 -0.85 0.00 0.00 60.65 59.41 1s6d h LYS 56 Cb 1.06 0.19 -0.00 0.00 -0.60 0.00 0.00 32.23 32.88 1s6d h LYS 56 CO -0.05 1.31 0.14 -0.91 -3.45 0.00 0.00 179.45 176.48 1s6d h ASN 57 N 0.43 0.00 -2.62 4.20 2.35 -0.44 -3.43 115.58 116.07 1s6d h ASN 57 Ca -0.11 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.44 1s6d h ASN 57 Cb 1.62 0.00 0.09 0.00 0.05 0.00 0.00 38.32 40.08 1s6d h ASN 57 CO 0.19 0.00 0.12 0.18 -1.65 0.00 0.00 177.43 176.27 1s6d n LEU 58 N -3.24 0.00 -4.94 1.61 4.77 -0.32 -5.08 117.00 109.79 1s6d n LEU 58 Ca -0.02 -0.63 -0.24 0.00 -0.03 0.00 0.00 56.01 55.09 1s6d n LEU 58 Cb 0.21 -0.50 -0.01 0.00 -2.33 0.00 0.00 43.42 40.79 1s6d n LEU 58 CO 0.20 -1.33 0.15 -1.81 -1.33 0.00 0.00 177.39 173.28 1s6d s ASP 59 N -3.14 6.31 0.32 -1.43 1.01 -1.26 -4.99 116.67 113.48 1s6d s ASP 59 Ca 0.36 0.43 0.26 0.00 0.71 0.00 0.00 52.55 54.31 1s6d s ASP 59 Cb -0.02 -2.02 0.94 0.00 1.01 0.00 0.00 42.92 42.83 1s6d s ASP 59 CO 0.27 -0.26 1.77 -0.08 0.21 0.00 0.00 175.17 177.08 1s6d h GLU 60 N 0.89 0.00 0.00 8.23 4.57 -1.94 0.31 114.58 126.65 1s6d h GLU 60 Ca -0.50 0.00 -0.21 0.00 -1.18 0.00 0.00 59.36 57.48 1s6d h GLU 60 Cb 1.22 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.77 1s6d h GLU 60 CO 0.62 0.00 -1.74 1.17 -1.18 0.00 0.00 179.01 177.88 1s6d n LYS 61 N -2.49 0.64 0.00 1.92 4.81 -1.26 -3.92 118.16 117.86 1s6d n LYS 61 Ca 0.03 0.13 0.13 0.00 -0.87 0.00 0.00 58.31 57.73 1s6d n LYS 61 Cb 0.33 -1.71 0.50 0.00 0.02 0.00 0.00 35.03 34.17 1s6d n LYS 61 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1s6d n MET 63 N -1.38 3.90 0.00 0.00 2.81 -0.05 -2.17 117.12 120.24 1s6d n MET 63 Ca 0.08 -3.31 0.00 0.00 -1.81 0.00 0.00 57.70 52.66 1s6d n MET 63 Cb 0.32 -2.84 0.00 0.00 -0.71 0.00 0.00 33.22 29.99 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 0.11 -0.11 0.00 0.13 -1.73 -3.22 132.00 127.17 1s6d h PRO 65 Ca 0.00 -0.13 -0.07 0.00 -0.87 0.00 0.00 66.00 64.93 1s6d h PRO 65 Cb 0.00 0.04 -0.00 0.00 0.13 0.00 0.00 31.00 31.17 1s6d h PRO 65 CO 0.00 0.94 -0.19 0.00 -0.23 0.00 0.00 178.00 178.53 1s6d h ALA 66 N 1.01 0.17 -1.06 -0.56 0.00 -1.73 -3.14 119.26 113.95 1s6d h ALA 66 Ca -0.03 -0.36 0.42 0.00 0.00 0.00 0.00 54.91 54.93 1s6d h ALA 66 Cb 1.58 -0.03 -0.16 0.00 0.00 0.00 0.00 17.79 19.18 1s6d h ALA 66 CO 0.13 0.10 0.62 -0.89 0.00 0.00 0.00 179.25 179.21 1s6d n ILE 67 N -4.53 -0.35 0.10 0.00 5.41 -1.22 0.03 119.36 118.80 1s6d n ILE 67 Ca -0.07 1.86 -0.10 0.00 1.00 0.00 0.00 62.75 65.44 1s6d n ILE 67 Cb 0.40 -3.02 -0.06 0.00 -0.71 0.00 0.00 39.64 36.25 1s6d n ILE 67 CO 0.00 0.00 0.00 -0.03 0.00 0.00 0.00 176.55 176.52 1s6d h MET 68 N 0.00 -0.46 -0.21 0.38 4.05 -1.65 -2.18 114.93 114.87 1s6d h MET 68 Ca 0.82 0.03 0.06 0.00 -0.28 0.00 0.00 59.70 60.33 1s6d h MET 68 Cb 2.31 0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 33.21 1s6d h MET 68 CO -0.64 -0.31 0.19 0.52 0.23 0.00 0.00 176.91 176.90 1s6d h MET 69 N -0.48 0.00 -0.65 0.39 2.86 -0.52 -0.35 114.93 116.18 1s6d h MET 69 Ca -0.02 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1s6d h MET 69 Cb 0.45 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.08 1s6d h MET 69 CO -0.11 0.00 0.40 1.98 1.06 0.00 0.00 176.91 180.23 1s6d h MET 70 N 0.00 0.87 -0.58 1.72 -1.53 -0.46 0.18 114.93 115.13 1s6d h MET 70 Ca 0.10 -0.07 -0.03 0.00 -3.44 0.00 0.00 59.70 56.26 1s6d h MET 70 Cb 0.47 -0.19 -0.02 0.00 -0.55 0.00 0.00 31.60 31.31 1s6d h MET 70 CO -0.00 0.60 0.04 1.28 0.14 0.00 0.00 176.91 178.97 1s6d n LEU 71 N -4.41 5.70 -0.09 3.39 4.77 -0.16 -4.06 117.00 122.15 1s6d n LEU 71 Ca 0.06 -2.99 0.01 0.00 -0.03 0.00 0.00 56.01 53.07 1s6d n LEU 71 Cb 0.06 -0.69 0.01 0.00 -2.33 0.00 0.00 43.42 40.47 1s6d n LEU 71 CO 0.37 0.66 0.22 0.59 -1.33 0.00 0.00 177.39 177.89 1s6d n ASN 72 N 0.42 0.95 -3.62 -1.43 5.03 0.02 -4.59 115.26 112.04 1s6d n ASN 72 Ca 0.30 -0.97 -0.30 0.00 0.87 0.00 0.00 54.58 54.47 1s6d n ASN 72 Cb 1.22 0.27 0.29 0.00 -1.02 0.00 0.00 39.78 40.53 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 -0.52 -2.79 0.00 3.52 -1.05 -1.02 -4.81 118.70 112.03 1s6d s GLU 73 Ca 0.03 0.32 0.00 0.00 -0.15 0.00 0.00 54.97 55.17 1s6d s GLU 73 Cb 0.02 -1.38 0.00 0.00 -0.44 0.00 0.00 34.13 32.34 1s6d s GLU 73 CO 0.06 -4.83 1.09 -0.35 0.95 0.00 0.00 175.26 172.18 1s6d n PRO 74 N -5.63 0.55 -0.60 -4.83 -0.04 -1.26 -2.25 135.00 120.94 1s6d n PRO 74 Ca 0.10 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.54 1s6d n PRO 74 Cb 0.59 -1.22 -0.03 0.00 -0.04 0.00 0.00 33.50 32.80 1s6d n PRO 74 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 1s6d n MET 75 N 1.70 0.00 -2.94 0.54 2.81 -1.26 -5.00 117.12 112.97 1s6d n MET 75 Ca 0.00 -0.36 -0.15 0.00 -1.81 0.00 0.00 57.70 55.38 1s6d n MET 75 Cb 0.28 0.29 -0.00 0.00 -0.71 0.00 0.00 33.22 33.07 1s6d n MET 75 CO 0.00 0.00 0.00 0.91 1.51 0.00 0.00 175.97 178.39 1s6d n TRP 76 N 0.00 -2.04 0.00 2.03 7.02 -0.96 -4.87 117.44 118.62 1s6d n TRP 76 Ca -0.10 -2.55 0.00 0.00 -1.02 0.00 0.00 57.50 53.83 1s6d n TRP 76 Cb 0.44 0.73 0.00 0.00 -2.42 0.00 0.00 31.31 30.06 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 1.52 0.00 1.25 -0.99 2.08 -1.26 -4.16 119.36 117.79 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 -2.11 0.56 0.00 0.00 176.55 175.00 1s6d n ARG 78 N 0.00 0.87 -0.05 0.38 1.85 -1.26 -3.10 116.66 115.36 1s6d n ARG 78 Ca 0.00 0.00 -0.05 0.00 -1.00 0.00 0.00 57.85 56.80 1s6d n ARG 78 Cb 0.00 -1.25 -0.07 0.00 -1.05 0.00 0.00 32.46 30.09 1s6d n ARG 78 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1s6d n MET 79 N -0.18 2.31 0.31 2.89 0.00 -1.26 -4.45 117.12 116.74 1s6d n MET 79 Ca 0.00 0.00 0.20 0.00 0.00 0.00 0.00 57.70 57.90 1s6d n MET 79 Cb 0.13 -1.23 1.00 0.00 0.00 0.00 0.00 33.22 33.12 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 -1.48 3.17 0.11 -1.80 -2.91 114.38 111.47 1s6d h ARG 80 Ca -0.25 0.00 0.46 0.00 0.10 0.00 0.00 59.98 60.30 1s6d h ARG 80 Cb 1.54 0.00 -0.11 0.00 1.11 0.00 0.00 29.97 32.51 1s6d h ARG 80 CO 0.01 0.01 1.01 0.22 0.10 0.00 0.00 179.97 181.32 1s6d h ASP 81 N 0.00 0.16 0.05 0.08 1.82 -1.78 0.76 116.42 117.51 1s6d h ASP 81 Ca -0.00 0.08 -0.14 0.00 -0.39 0.00 0.00 57.03 56.58 1s6d h ASP 81 Cb 0.19 0.08 -0.00 0.00 0.68 0.00 0.00 39.33 40.27 1s6d h ASP 81 CO 0.00 -0.11 -0.73 1.56 -1.61 0.00 0.00 179.24 178.35 1s6d h GLN 82 N 0.06 0.11 0.00 0.28 4.20 -1.85 -3.32 115.11 114.58 1s6d h GLN 82 Ca 0.82 -0.18 0.00 0.00 0.06 0.00 0.00 58.65 59.35 1s6d h GLN 82 Cb 2.86 0.07 0.00 0.00 0.30 0.00 0.00 27.48 30.71 1s6d h GLN 82 CO -0.26 1.09 0.00 1.33 -0.67 0.00 0.00 178.83 180.31 1s6d n VAL 83 N -4.33 1.54 -0.03 -0.54 0.24 0.40 -2.51 118.33 113.10 1s6d n VAL 83 Ca -0.19 0.54 -0.04 0.00 -2.04 0.00 0.00 64.34 62.62 1s6d n VAL 83 Cb 0.68 -1.52 -0.03 0.00 -1.47 0.00 0.00 33.84 31.50 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 -0.06 0.00 7.34 2.86 0.28 0.35 114.93 125.70 1s6d h MET 84 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1s6d h MET 84 Cb 0.04 0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.72 1s6d h MET 84 CO 0.00 0.15 0.00 0.45 1.06 0.00 0.00 176.91 178.57 1s6d n SER 85 N -4.79 0.00 -0.11 1.22 2.88 -1.07 -2.02 113.62 109.73 1s6d n SER 85 Ca -0.03 0.29 -0.14 0.00 -1.33 0.00 0.00 58.87 57.67 1s6d n SER 85 Cb 0.11 -0.37 -0.13 0.00 -0.75 0.00 0.00 64.21 63.07 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 -1.37 0.73 -0.62 -1.46 2.81 -1.04 -4.28 117.12 111.88 1s6d n MET 86 Ca 0.04 0.07 -0.04 0.00 -1.81 0.00 0.00 57.70 55.96 1s6d n MET 86 Cb 0.09 -1.49 0.18 0.00 -0.71 0.00 0.00 33.22 31.29 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 -2.99 3.78 -0.08 3.04 0.00 0.12 -2.99 120.51 121.40 1s6d n ALA 87 Ca -0.38 -1.39 -0.08 0.00 0.00 0.00 0.00 53.44 51.60 1s6d n ALA 87 Cb 1.03 -1.16 -0.12 0.00 0.00 0.00 0.00 19.45 19.20 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 -0.02 0.00 -0.02 0.00 1.44 -0.86 -4.34 115.22 111.42 1s6d n HIS 88 Ca 0.25 0.00 0.05 0.00 -2.01 0.00 0.00 57.72 56.01 1s6d n HIS 88 Cb 0.99 -0.75 -0.13 0.00 0.12 0.00 0.00 29.99 30.22 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 -2.58 1.16 0.02 4.39 5.03 -1.24 -3.78 115.26 118.26 1s6d n ASN 89 Ca -0.25 0.00 -0.11 0.00 0.87 0.00 0.00 54.58 55.09 1s6d n ASN 89 Cb 0.99 1.56 -0.06 0.00 -1.02 0.00 0.00 39.78 41.25 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 0.03 -0.40 3.41 3.38 -1.77 0.40 115.31 120.35 1s6d h LEU 90 Ca -0.10 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.70 1s6d h LEU 90 Cb 1.05 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.78 1s6d h LEU 90 CO 0.01 0.02 -0.80 1.55 0.09 0.00 0.00 178.44 179.30 1s6d h PRO 91 N 0.04 0.07 -0.18 1.13 0.13 -1.78 -2.91 132.00 128.50 1s6d h PRO 91 Ca 0.02 -0.07 -0.13 0.00 -0.87 0.00 0.00 66.00 64.94 1s6d h PRO 91 Cb 0.01 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.16 1s6d h PRO 91 CO -0.02 0.83 -0.40 0.82 -0.23 0.00 0.00 178.00 179.01 1s6d h ILE 92 N 0.04 1.34 0.00 -3.56 2.04 -1.62 0.49 117.51 116.24 1s6d h ILE 92 Ca -0.02 -1.65 0.00 0.00 1.00 0.00 0.00 64.86 64.19 1s6d h ILE 92 Cb 1.41 1.94 0.00 0.00 -0.74 0.00 0.00 36.82 39.42 1s6d h ILE 92 CO 0.11 0.51 0.00 -0.33 0.00 0.00 0.00 178.15 178.44 1s6d h GLU 93 N 0.24 0.00 0.00 2.37 5.08 -0.23 0.24 114.58 122.28 1s6d h GLU 93 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1s6d h GLU 93 Cb 1.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.26 1s6d h GLU 93 CO 0.09 0.00 -0.74 0.00 -1.00 0.00 0.00 179.01 177.36 1s6d n ASN 95 N -1.79 -1.55 -0.06 0.00 4.05 0.85 -4.98 115.26 111.77 1s6d n ASN 95 Ca 0.04 0.00 -0.06 0.00 0.45 0.00 0.00 54.58 55.01 1s6d n ASN 95 Cb 0.39 -0.40 -0.05 0.00 1.23 0.00 0.00 39.78 40.96 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 -2.86 1.20 3.38 -0.22 -3.40 115.31 113.41 1s6d h LEU 96 Ca 0.00 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.62 1s6d h LEU 96 Cb 0.41 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 1s6d h LEU 96 CO 0.00 0.72 -0.25 1.15 0.09 0.00 0.00 178.44 180.14 1s6d n MET 97 N -4.70 1.09 0.00 1.13 0.00 -1.17 -4.53 117.12 108.94 1s6d n MET 97 Ca -0.05 -2.49 0.00 0.00 0.00 0.00 0.00 57.70 55.16 1s6d n MET 97 Cb 0.20 -1.29 0.00 0.00 0.00 0.00 0.00 33.22 32.12 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 -1.04 0.00 -2.76 3.17 3.41 -1.26 -4.20 113.62 110.94 1s6d n SER 98 Ca 0.14 0.53 -0.09 0.00 -0.26 0.00 0.00 58.87 59.19 1s6d n SER 98 Cb 0.69 -0.22 0.08 0.00 -0.26 0.00 0.00 64.21 64.50 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 -2.09 1.12 0.00 4.33 10.64 -1.26 -4.97 117.38 125.14 1s6d n GLN 99 Ca 0.00 -2.30 0.00 0.00 -1.83 0.00 0.00 57.00 52.87 1s6d n GLN 99 Cb 0.00 -0.71 0.00 0.00 -0.86 0.00 0.00 30.24 28.67 1s6d n GLN 99 CO 0.00 0.00 0.00 -0.35 -1.83 0.00 0.00 177.06 174.88 1s6d n PRO 100 N -0.15 0.00 -2.30 2.61 -0.04 -1.26 -4.68 135.00 129.18 1s6d n PRO 100 Ca 0.05 0.29 -0.43 0.00 -0.04 0.00 0.00 63.50 63.37 1s6d n PRO 100 Cb 0.78 -0.94 -0.02 0.00 -0.04 0.00 0.00 33.50 33.28 1s6d n PRO 100 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1s6d s GLN 102 N 4.31 2.09 0.00 0.00 -0.21 -1.26 -4.98 119.66 119.61 1s6d s GLN 102 Ca 0.62 -2.31 0.00 0.00 0.02 0.00 0.00 55.36 53.69 1s6d s GLN 102 Cb -0.20 -1.10 0.00 0.00 1.00 0.00 0.00 33.01 32.71 1s6d s GLN 102 CO 0.25 -0.43 0.16 -0.12 -2.12 0.00 0.00 175.29 173.03