#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s6d s TYR 2 N 0.00 -0.12 0.00 0.54 5.04 -1.26 -5.09 117.35 116.46 1s6d s TYR 2 Ca 0.00 0.19 0.00 0.00 -2.44 0.00 0.00 57.07 54.82 1s6d s TYR 2 Cb 0.00 0.49 0.00 0.00 0.35 0.00 0.00 41.96 42.80 1s6d s TYR 2 CO 0.00 -0.12 0.00 0.41 -1.34 0.00 0.00 175.55 174.50 1s6d n GLY 3 N 0.50 -0.03 3.69 8.97 0.00 -1.26 -4.90 105.19 112.15 1s6d n GLY 3 Ca -0.02 -1.95 -0.42 0.00 0.00 0.00 0.00 46.02 43.63 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 -1.08 4.41 0.21 1.61 3.52 -1.26 -5.04 118.95 121.33 1s6d s ARG 4 Ca 0.00 1.35 0.02 0.00 -0.13 0.00 0.00 55.73 56.97 1s6d s ARG 4 Cb 0.00 -3.54 -0.05 0.00 -1.56 0.00 0.00 34.95 29.80 1s6d s ARG 4 CO 0.00 -0.31 0.03 0.20 -0.81 0.00 0.00 175.30 174.42 1s6d s GLY 5 N 1.09 1.46 -0.24 8.12 0.00 -1.26 -5.12 107.32 111.37 1s6d s GLY 5 Ca 0.47 -1.72 -0.26 0.00 0.00 0.00 0.00 44.72 43.21 1s6d s GLY 5 CO 0.18 -1.58 0.91 0.50 0.00 0.00 0.00 173.10 173.11 1s6d s ARG 6 N -3.94 4.20 -0.06 2.90 0.52 -1.26 -5.02 118.95 116.28 1s6d s ARG 6 Ca 0.29 1.08 -0.03 0.00 -0.52 0.00 0.00 55.73 56.56 1s6d s ARG 6 Cb 0.07 -3.65 0.04 0.00 0.52 0.00 0.00 34.95 31.93 1s6d s ARG 6 CO 0.08 -0.57 0.13 0.95 0.02 0.00 0.00 175.30 175.90 1s6d s THR 7 N 3.00 -0.16 0.98 0.02 -4.23 -1.26 -5.15 115.64 108.84 1s6d s THR 7 Ca 0.38 0.31 -0.12 0.00 -1.18 0.00 0.00 61.69 61.08 1s6d s THR 7 Cb -0.15 -0.23 0.18 0.00 1.34 0.00 0.00 72.50 73.64 1s6d s THR 7 CO 0.07 0.13 0.39 -1.84 -0.54 0.00 0.00 174.62 172.83 1s6d n GLU 8 N 4.92 -2.34 -1.60 3.99 0.28 -1.26 -4.86 120.64 119.77 1s6d n GLU 8 Ca -0.12 -0.69 -0.45 0.00 -0.16 0.00 0.00 57.16 55.74 1s6d n GLU 8 Cb 0.50 -1.45 -0.02 0.00 1.43 0.00 0.00 31.44 31.91 1s6d n GLU 8 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 1s6d n SER 9 N -1.23 1.43 0.00 -1.84 7.64 -1.26 -4.80 113.62 113.57 1s6d n SER 9 Ca 0.06 1.18 0.00 0.00 1.01 0.00 0.00 58.87 61.12 1s6d n SER 9 Cb 0.31 -1.30 0.00 0.00 -1.01 0.00 0.00 64.21 62.21 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 1.27 -1.54 0.17 0.23 0.00 -1.26 -4.93 105.19 99.14 1s6d n GLY 10 Ca 0.10 0.66 -0.04 0.00 0.00 0.00 0.00 46.02 46.73 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 0.06 0.00 -0.19 0.00 3.20 -1.93 0.23 116.97 118.33 1s6d h TYR 12 Ca 0.20 0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.98 1s6d h TYR 12 Cb 0.30 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.57 1s6d h TYR 12 CO -0.31 0.00 -0.27 0.37 -1.64 0.00 0.00 178.16 176.31 1s6d h GLN 13 N 0.00 0.52 0.00 1.82 5.75 -0.75 -2.96 115.11 119.49 1s6d h GLN 13 Ca 0.26 -0.30 -0.08 0.00 -0.15 0.00 0.00 58.65 58.37 1s6d h GLN 13 Cb 1.44 0.02 -0.01 0.00 1.07 0.00 0.00 27.48 30.01 1s6d h GLN 13 CO -0.00 0.90 -0.40 1.96 -2.65 0.00 0.00 178.83 178.64 1s6d h GLN 14 N 0.18 0.00 0.52 1.69 7.50 -0.44 -2.91 115.11 121.65 1s6d h GLN 14 Ca 0.02 0.00 -0.03 0.00 0.50 0.00 0.00 58.65 59.15 1s6d h GLN 14 Cb 0.84 0.00 0.01 0.00 0.05 0.00 0.00 27.48 28.37 1s6d h GLN 14 CO 0.06 0.40 -0.25 0.52 -1.50 0.00 0.00 178.83 178.06 1s6d h MET 15 N 0.00 -0.68 -0.20 1.46 2.86 -1.19 0.82 114.93 118.00 1s6d h MET 15 Ca -0.00 0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.65 1s6d h MET 15 Cb 0.97 0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.77 1s6d h MET 15 CO 0.05 -0.41 0.00 1.05 1.06 0.00 0.00 176.91 178.66 1s6d h GLU 16 N -0.80 0.30 0.00 1.72 4.11 -1.57 0.51 114.58 118.86 1s6d h GLU 16 Ca -0.07 -0.04 -0.03 0.00 0.07 0.00 0.00 59.36 59.29 1s6d h GLU 16 Cb 0.58 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.77 1s6d h GLU 16 CO 0.12 0.32 -0.12 1.49 0.07 0.00 0.00 179.01 180.89 1s6d h GLU 17 N 0.29 0.00 -1.81 1.06 4.81 -1.31 -3.28 114.58 114.34 1s6d h GLU 17 Ca 0.07 0.00 -0.48 0.00 -0.13 0.00 0.00 59.36 58.82 1s6d h GLU 17 Cb 0.20 0.00 -0.41 0.00 0.63 0.00 0.00 28.75 29.17 1s6d h GLU 17 CO 0.00 0.12 -1.06 0.00 -0.73 0.00 0.00 179.01 177.35 1s6d n ALA 18 N -2.15 3.03 -1.52 2.92 0.00 0.26 -5.06 120.51 118.00 1s6d n ALA 18 Ca 0.02 -3.66 -0.24 0.00 0.00 0.00 0.00 53.44 49.56 1s6d n ALA 18 Cb 0.46 -0.87 -0.14 0.00 0.00 0.00 0.00 19.45 18.90 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 0.05 0.31 -0.00 0.00 2.13 0.08 -4.55 120.64 118.66 1s6d n GLU 19 Ca 0.24 -0.26 0.00 0.00 0.66 0.00 0.00 57.16 57.80 1s6d n GLU 19 Cb 0.64 -2.23 -0.01 0.00 0.27 0.00 0.00 31.44 30.12 1s6d n GLU 19 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1s6d n MET 20 N 7.49 0.13 -0.04 5.31 0.00 -1.26 -4.45 117.12 124.30 1s6d n MET 20 Ca 0.57 -0.01 0.07 0.00 0.00 0.00 0.00 57.70 58.34 1s6d n MET 20 Cb 0.26 -1.01 0.36 0.00 0.00 0.00 0.00 33.22 32.84 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 -1.52 0.56 -0.09 3.17 7.99 -1.26 -3.03 117.00 122.82 1s6d n LEU 21 Ca -0.00 -0.25 -0.11 0.00 -0.01 0.00 0.00 56.01 55.64 1s6d n LEU 21 Cb 0.02 -0.05 -0.11 0.00 -0.11 0.00 0.00 43.42 43.17 1s6d n LEU 21 CO 0.01 0.12 -1.10 -3.20 -1.51 0.00 0.00 177.39 171.72 1s6d n ASN 22 N -0.35 1.75 0.07 -1.43 5.15 -1.26 -3.16 115.26 116.03 1s6d n ASN 22 Ca 0.11 -0.06 -0.12 0.00 -0.60 0.00 0.00 54.58 53.92 1s6d n ASN 22 Cb 0.13 0.27 -0.08 0.00 -0.53 0.00 0.00 39.78 39.57 1s6d n ASN 22 CO 0.00 0.00 0.00 0.45 1.40 0.00 0.00 177.26 179.11 1s6d h HIS 23 N 0.00 -0.21 0.00 1.20 3.86 -1.77 0.50 115.15 118.73 1s6d h HIS 23 Ca -0.45 -0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 58.74 1s6d h HIS 23 Cb 1.85 0.07 -0.00 0.00 1.06 0.00 0.00 27.41 30.38 1s6d h HIS 23 CO 0.01 0.21 -0.07 0.00 0.86 0.00 0.00 177.93 178.94 1s6d h GLY 25 N 1.95 -0.09 0.42 0.00 0.00 -1.48 -3.33 103.07 100.54 1s6d h GLY 25 Ca -0.00 0.03 0.12 0.00 0.00 0.00 0.00 47.33 47.48 1s6d h GLY 25 CO 0.01 -0.03 0.49 1.98 0.00 0.00 0.00 176.54 178.98 1s6d h MET 26 N -0.95 0.75 -0.96 4.80 4.05 -0.01 0.24 114.93 122.85 1s6d h MET 26 Ca -0.01 -0.04 0.24 0.00 -0.28 0.00 0.00 59.70 59.60 1s6d h MET 26 Cb 0.53 -0.17 -0.07 0.00 -0.80 0.00 0.00 31.60 31.09 1s6d h MET 26 CO 0.01 0.49 0.64 -0.92 0.23 0.00 0.00 176.91 177.37 1s6d h TYR 27 N 0.77 0.48 0.12 1.39 3.20 -1.64 0.18 116.97 121.48 1s6d h TYR 27 Ca 0.44 0.02 -0.30 0.00 3.14 0.00 0.00 58.73 62.02 1s6d h TYR 27 Cb 0.48 -0.14 -0.00 0.00 1.54 0.00 0.00 36.73 38.61 1s6d h TYR 27 CO -0.06 0.09 -1.47 -0.07 -1.64 0.00 0.00 178.16 175.01 1s6d h LEU 28 N 0.33 0.41 0.00 2.82 3.38 -0.69 -3.17 115.31 118.39 1s6d h LEU 28 Ca 0.51 -0.54 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1s6d h LEU 28 Cb 1.40 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.02 1s6d h LEU 28 CO -0.18 1.44 0.00 0.80 0.09 0.00 0.00 178.44 180.59 1s6d n MET 29 N -3.48 0.46 0.20 1.13 1.56 0.50 -2.15 117.12 115.35 1s6d n MET 29 Ca -0.15 0.00 0.11 0.00 -0.27 0.00 0.00 57.70 57.39 1s6d n MET 29 Cb 1.04 -1.37 0.14 0.00 2.15 0.00 0.00 33.22 35.18 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 0.00 0.00 0.00 2.12 3.11 -1.20 -2.82 116.57 117.78 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 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.23 1s6d h LYS 30 CO 0.00 0.04 0.00 0.09 -2.81 0.00 0.00 179.45 176.77 1s6d n ASN 31 N -3.07 0.80 -0.00 4.20 3.02 -0.99 -4.70 115.26 114.52 1s6d n ASN 31 Ca 0.03 -1.24 0.04 0.00 -0.03 0.00 0.00 54.58 53.39 1s6d n ASN 31 Cb 0.55 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.66 1s6d n ASN 31 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1s6d n LEU 32 N -0.12 0.43 -3.15 3.41 4.77 -0.91 -4.96 117.00 116.47 1s6d n LEU 32 Ca 0.00 -0.48 0.05 0.00 -0.03 0.00 0.00 56.01 55.55 1s6d n LEU 32 Cb 0.21 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.29 1s6d n LEU 32 CO 0.00 0.11 0.49 -0.83 -1.33 0.00 0.00 177.39 175.83 1s6d s GLY 33 N -1.94 -0.53 -0.06 -0.72 0.00 -1.06 -4.87 107.32 98.14 1s6d s GLY 33 Ca 0.03 2.51 -0.03 0.00 0.00 0.00 0.00 44.72 47.24 1s6d s GLY 33 CO 0.39 3.75 0.12 1.85 0.00 0.00 0.00 173.10 179.21 1s6d s GLU 34 N 2.93 0.02 0.56 2.90 2.56 -1.26 -4.52 118.70 121.89 1s6d s GLU 34 Ca 0.05 0.43 0.06 0.00 0.00 0.00 0.00 54.97 55.51 1s6d s GLU 34 Cb -0.10 -0.29 0.05 0.00 2.00 0.00 0.00 34.13 35.79 1s6d s GLU 34 CO -0.14 -0.26 0.46 -0.98 -0.56 0.00 0.00 175.26 173.78 1s6d s ARG 35 N 1.83 2.24 0.18 4.30 3.03 -1.26 -5.15 118.95 124.11 1s6d s ARG 35 Ca -0.01 -2.02 0.06 0.00 2.03 0.00 0.00 55.73 55.79 1s6d s ARG 35 Cb -0.12 -2.15 -0.04 0.00 -1.03 0.00 0.00 34.95 31.61 1s6d s ARG 35 CO -0.05 -0.70 0.07 0.45 -1.13 0.00 0.00 175.30 173.94 1s6d s SER 36 N -4.36 5.15 0.00 -2.89 0.15 -1.26 -5.10 113.70 105.39 1s6d s SER 36 Ca 0.36 -0.27 0.00 0.00 0.70 0.00 0.00 55.95 56.74 1s6d s SER 36 Cb -0.03 -1.23 0.00 0.00 -1.71 0.00 0.00 66.02 63.06 1s6d s SER 36 CO 0.23 0.07 0.00 1.67 1.20 0.00 0.00 173.24 176.41 1s6d n GLN 37 N -0.30 0.00 -0.29 5.44 7.27 -1.26 -5.17 117.38 123.08 1s6d n GLN 37 Ca -0.09 0.00 -0.24 0.00 0.07 0.00 0.00 57.00 56.75 1s6d n GLN 37 Cb 0.55 0.00 0.23 0.00 2.41 0.00 0.00 30.24 33.43 1s6d n GLN 37 CO 0.00 0.00 0.00 1.55 0.07 0.00 0.00 177.06 178.68 1s6d n VAL 38 N 0.00 0.00 -3.73 1.69 3.14 -1.26 -4.98 118.33 113.18 1s6d n VAL 38 Ca 0.00 0.00 -0.36 0.00 -2.96 0.00 0.00 64.34 61.02 1s6d n VAL 38 Cb 0.00 -0.76 -0.10 0.00 -1.06 0.00 0.00 33.84 31.92 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 -2.67 5.18 0.63 6.55 0.15 -1.26 -5.08 113.70 117.19 1s6d s SER 39 Ca 0.52 -2.85 0.00 0.00 0.70 0.00 0.00 55.95 54.32 1s6d s SER 39 Cb -0.09 -1.84 0.00 0.00 -1.71 0.00 0.00 66.02 62.38 1s6d s SER 39 CO 0.43 -0.36 0.00 -0.81 1.20 0.00 0.00 173.24 173.70 1s6d n PRO 40 N 3.48 -0.12 -3.08 5.44 -0.04 -1.26 -5.09 135.00 134.34 1s6d n PRO 40 Ca 0.07 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.53 1s6d n PRO 40 Cb 0.38 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 33.83 1s6d n PRO 40 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1s6d s ARG 41 N -1.88 0.89 0.76 0.54 3.52 -1.26 -5.15 118.95 116.37 1s6d s ARG 41 Ca 0.00 -0.48 -0.17 0.00 -0.13 0.00 0.00 55.73 54.95 1s6d s ARG 41 Cb 0.00 0.06 -0.13 0.00 -1.56 0.00 0.00 34.95 33.31 1s6d s ARG 41 CO 0.00 -1.22 -0.36 0.00 -0.81 0.00 0.00 175.30 172.91 1s6d n MET 42 N 4.00 0.02 -0.08 5.12 0.00 -1.26 -4.97 117.12 119.95 1s6d n MET 42 Ca 0.13 0.01 -0.06 0.00 0.00 0.00 0.00 57.70 57.78 1s6d n MET 42 Cb 0.57 -1.10 -0.02 0.00 0.00 0.00 0.00 33.22 32.67 1s6d n MET 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 1s6d n ARG 43 N 1.66 0.47 -2.72 3.17 1.74 -1.26 -4.94 116.66 114.79 1s6d n ARG 43 Ca 0.04 0.46 -0.06 0.00 -0.77 0.00 0.00 57.85 57.52 1s6d n ARG 43 Cb 0.52 -1.64 0.04 0.00 -1.02 0.00 0.00 32.46 30.36 1s6d n ARG 43 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 1s6d n GLU 44 N -4.57 0.46 -4.83 5.56 0.28 -1.26 -5.15 120.64 111.12 1s6d n GLU 44 Ca -0.10 -1.40 -0.28 0.00 -0.16 0.00 0.00 57.16 55.21 1s6d n GLU 44 Cb 0.34 -0.92 -0.15 0.00 1.43 0.00 0.00 31.44 32.15 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 0.64 1.65 -0.31 3.44 0.41 -1.26 -5.09 118.70 118.18 1s6d s GLU 45 Ca 0.29 -1.02 -0.11 0.00 -0.41 0.00 0.00 54.97 53.71 1s6d s GLU 45 Cb 0.16 -1.79 0.19 0.00 -1.78 0.00 0.00 34.13 30.91 1s6d s GLU 45 CO -0.14 0.46 1.09 0.34 -0.49 0.00 0.00 175.26 176.52 1s6d s ASP 46 N -1.15 -0.21 0.74 -0.19 2.15 -1.26 -5.15 116.67 111.60 1s6d s ASP 46 Ca 0.10 -0.09 -0.12 0.00 0.43 0.00 0.00 52.55 52.87 1s6d s ASP 46 Cb -0.09 0.39 0.04 0.00 -0.30 0.00 0.00 42.92 42.96 1s6d s ASP 46 CO 0.02 -0.03 1.10 -1.00 -0.17 0.00 0.00 175.17 175.09 1s6d s HIS 47 N 2.12 2.56 0.05 -5.34 3.76 -1.26 -4.85 115.29 112.33 1s6d s HIS 47 Ca 0.17 1.56 0.00 0.00 -0.15 0.00 0.00 55.06 56.64 1s6d s HIS 47 Cb 0.03 -3.10 0.00 0.00 1.11 0.00 0.00 32.58 30.62 1s6d s HIS 47 CO -0.17 -1.80 0.00 1.17 -0.85 0.00 0.00 174.74 173.09 1s6d n LYS 48 N -3.19 0.00 0.00 1.40 4.81 -1.26 -4.94 118.16 114.98 1s6d n LYS 48 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.54 1s6d n LYS 48 Cb 0.53 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.58 1s6d n LYS 48 CO 0.00 0.00 0.00 0.94 1.17 0.00 0.00 177.40 179.51 1s6d n GLN 49 N -2.63 0.62 0.00 1.64 7.27 -1.26 -4.66 117.38 118.35 1s6d n GLN 49 Ca 0.00 -0.67 0.07 0.00 0.07 0.00 0.00 57.00 56.47 1s6d n GLN 49 Cb 0.00 -0.75 0.34 0.00 2.41 0.00 0.00 30.24 32.24 1s6d n GLN 49 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 1s6d n LEU 50 N -0.14 0.00 -0.12 1.69 4.77 -1.26 0.62 117.00 122.56 1s6d n LEU 50 Ca 0.00 0.39 -0.17 0.00 -0.03 0.00 0.00 56.01 56.19 1s6d n LEU 50 Cb 0.26 -0.39 -0.12 0.00 -2.33 0.00 0.00 43.42 40.84 1s6d n LEU 50 CO 0.00 -0.20 -1.31 0.00 -1.33 0.00 0.00 177.39 174.55 1s6d h MET 53 N 0.09 -0.58 -0.48 0.00 -1.53 -0.04 -2.28 114.93 110.10 1s6d h MET 53 Ca -0.07 0.04 0.08 0.00 -3.44 0.00 0.00 59.70 56.31 1s6d h MET 53 Cb 1.69 0.13 -0.06 0.00 -0.55 0.00 0.00 31.60 32.81 1s6d h MET 53 CO 0.16 -0.39 0.13 1.96 0.14 0.00 0.00 176.91 178.90 1s6d h GLN 54 N -1.08 0.27 0.00 0.39 1.08 -1.69 0.18 115.11 114.25 1s6d h GLN 54 Ca -0.06 -0.02 -0.00 0.00 -1.45 0.00 0.00 58.65 57.12 1s6d h GLN 54 Cb 0.46 -0.06 -0.00 0.00 -0.05 0.00 0.00 27.48 27.83 1s6d h GLN 54 CO 0.10 0.18 -0.02 -0.07 -0.95 0.00 0.00 178.83 178.07 1s6d h LEU 55 N 0.27 0.00 -2.61 1.46 3.38 -1.59 0.24 115.31 116.45 1s6d h LEU 55 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1s6d h LEU 55 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1s6d h LEU 55 CO -0.28 0.02 0.06 0.50 0.09 0.00 0.00 178.44 178.82 1s6d h LYS 56 N 0.00 0.00 0.00 1.13 3.64 -0.02 0.53 116.57 121.85 1s6d h LYS 56 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1s6d h LYS 56 Cb 0.07 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 1s6d h LYS 56 CO 0.00 0.00 -1.44 0.09 -2.27 0.00 0.00 179.45 175.83 1s6d n ASN 57 N -2.93 0.47 -3.08 4.20 3.02 0.82 -4.97 115.26 112.79 1s6d n ASN 57 Ca -0.03 0.18 -0.10 0.00 -0.03 0.00 0.00 54.58 54.60 1s6d n ASN 57 Cb 0.12 1.13 0.10 0.00 -0.61 0.00 0.00 39.78 40.52 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 -2.49 0.00 -4.84 3.41 4.77 0.18 -5.02 117.00 113.01 1s6d n LEU 58 Ca -0.02 -0.28 -0.37 0.00 -0.03 0.00 0.00 56.01 55.31 1s6d n LEU 58 Cb 0.56 -0.32 -0.07 0.00 -2.33 0.00 0.00 43.42 41.26 1s6d n LEU 58 CO 0.43 -1.93 -0.19 -0.62 -1.33 0.00 0.00 177.39 173.75 1s6d s ASP 59 N -2.32 6.23 0.21 -1.43 -1.08 -1.26 -4.97 116.67 112.05 1s6d s ASP 59 Ca 0.22 0.41 0.19 0.00 -0.52 0.00 0.00 52.55 52.84 1s6d s ASP 59 Cb -0.04 -2.00 0.87 0.00 -1.46 0.00 0.00 42.92 40.30 1s6d s ASP 59 CO 0.18 0.39 1.57 1.21 0.52 0.00 0.00 175.17 179.04 1s6d n GLU 60 N 2.12 0.12 0.00 4.34 2.13 -1.26 0.18 120.64 128.28 1s6d n GLU 60 Ca -0.20 0.49 0.10 0.00 0.66 0.00 0.00 57.16 58.22 1s6d n GLU 60 Cb 0.55 -1.81 -0.05 0.00 0.27 0.00 0.00 31.44 30.40 1s6d n GLU 60 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1s6d n LYS 61 N -2.05 0.06 -0.00 5.31 5.02 -1.26 -4.10 118.16 121.14 1s6d n LYS 61 Ca 0.01 -0.01 0.07 0.00 -2.02 0.00 0.00 58.31 56.36 1s6d n LYS 61 Cb 0.12 -1.51 -0.09 0.00 -0.02 0.00 0.00 35.03 33.53 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 -1.47 3.44 0.00 0.00 2.81 0.13 -2.08 117.12 119.94 1s6d n MET 63 Ca 0.02 -3.37 0.00 0.00 -1.81 0.00 0.00 57.70 52.54 1s6d n MET 63 Cb 0.27 -3.03 0.00 0.00 -0.71 0.00 0.00 33.22 29.75 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 0.10 0.02 0.00 0.13 -1.80 -3.14 132.00 127.31 1s6d h PRO 65 Ca 0.00 -0.12 -0.03 0.00 -0.87 0.00 0.00 66.00 64.98 1s6d h PRO 65 Cb 0.00 0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.17 1s6d h PRO 65 CO 0.00 0.91 -0.13 0.00 -0.23 0.00 0.00 178.00 178.55 1s6d h ALA 66 N 1.05 -0.01 -0.93 -0.56 0.00 -1.72 -3.31 119.26 113.78 1s6d h ALA 66 Ca -0.03 -0.49 0.20 0.00 0.00 0.00 0.00 54.91 54.59 1s6d h ALA 66 Cb 1.52 0.01 -0.18 0.00 0.00 0.00 0.00 17.79 19.14 1s6d h ALA 66 CO 0.12 0.03 -0.18 0.82 0.00 0.00 0.00 179.25 180.04 1s6d h ILE 67 N -0.81 0.07 -0.66 0.00 2.04 -1.63 0.19 117.51 116.72 1s6d h ILE 67 Ca -0.02 -0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.93 1s6d h ILE 67 Cb 1.03 0.06 -0.11 0.00 -0.74 0.00 0.00 36.82 37.06 1s6d h ILE 67 CO 0.02 0.00 -0.44 0.24 0.00 0.00 0.00 178.15 177.97 1s6d h MET 68 N 0.01 -0.18 0.00 2.37 2.86 -1.63 0.39 114.93 118.74 1s6d h MET 68 Ca 0.47 0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 58.12 1s6d h MET 68 Cb 0.77 0.04 -0.00 0.00 0.06 0.00 0.00 31.60 32.47 1s6d h MET 68 CO -0.94 -0.12 -0.00 0.52 1.06 0.00 0.00 176.91 177.43 1s6d h MET 69 N -0.18 0.00 -0.90 1.72 2.86 -0.79 -1.17 114.93 116.47 1s6d h MET 69 Ca 0.20 0.00 0.06 0.00 -2.06 0.00 0.00 59.70 57.89 1s6d h MET 69 Cb 0.55 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.16 1s6d h MET 69 CO -0.74 0.00 0.58 0.00 1.06 0.00 0.00 176.91 177.82 1s6d h MET 70 N 0.00 1.02 -0.76 1.72 3.00 0.71 -0.99 114.93 119.62 1s6d h MET 70 Ca -0.00 -0.06 0.00 0.00 0.00 0.00 0.00 59.70 59.64 1s6d h MET 70 Cb 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 31.60 31.38 1s6d h MET 70 CO 0.00 0.67 0.00 1.28 0.00 0.00 0.00 176.91 178.86 1s6d n LEU 71 N -4.48 3.53 -0.06 -0.10 4.32 -0.44 -3.47 117.00 116.29 1s6d n LEU 71 Ca 0.13 -1.79 0.00 0.00 -0.02 0.00 0.00 56.01 54.34 1s6d n LEU 71 Cb 0.17 -0.59 0.01 0.00 -1.62 0.00 0.00 43.42 41.39 1s6d n LEU 71 CO 0.33 0.46 0.31 0.59 -1.22 0.00 0.00 177.39 177.86 1s6d n ASN 72 N 0.35 0.50 -3.72 -1.43 5.03 -0.41 -4.78 115.26 110.80 1s6d n ASN 72 Ca 0.15 -1.41 -0.30 0.00 0.87 0.00 0.00 54.58 53.89 1s6d n ASN 72 Cb 0.75 -0.04 0.28 0.00 -1.02 0.00 0.00 39.78 39.75 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 -0.32 -2.42 0.00 3.52 2.02 -0.99 -4.82 118.70 115.70 1s6d s GLU 73 Ca 0.01 0.30 0.08 0.00 0.02 0.00 0.00 54.97 55.39 1s6d s GLU 73 Cb 0.01 -1.42 0.50 0.00 0.10 0.00 0.00 34.13 33.32 1s6d s GLU 73 CO 0.00 -4.58 1.03 -0.35 0.02 0.00 0.00 175.26 171.38 1s6d n PRO 74 N -5.44 0.64 0.00 0.39 -0.04 -1.26 -1.96 135.00 127.32 1s6d n PRO 74 Ca 0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 1s6d n PRO 74 Cb 0.59 -1.20 0.00 0.00 -0.04 0.00 0.00 33.50 32.84 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 -0.70 0.61 -3.85 0.54 2.81 -1.26 -4.92 117.12 110.34 1s6d n MET 75 Ca 0.06 -0.68 -0.28 0.00 -1.81 0.00 0.00 57.70 54.99 1s6d n MET 75 Cb 0.03 -0.78 -0.12 0.00 -0.71 0.00 0.00 33.22 31.64 1s6d n MET 75 CO 0.00 0.00 0.00 -1.58 1.51 0.00 0.00 175.97 175.90 1s6d s TRP 76 N -0.29 3.16 0.00 2.03 0.52 -0.83 -4.93 118.94 118.60 1s6d s TRP 76 Ca 0.00 -3.15 0.00 0.00 0.02 0.00 0.00 56.10 52.97 1s6d s TRP 76 Cb 0.00 -2.51 0.00 0.00 -1.15 0.00 0.00 33.47 29.81 1s6d s TRP 76 CO 0.00 -0.63 0.00 -0.89 0.02 0.00 0.00 176.95 175.45 1s6d n ILE 77 N 2.38 0.00 -0.27 2.03 2.08 -1.26 -4.15 119.36 120.17 1s6d n ILE 77 Ca 0.17 0.00 0.07 0.00 0.56 0.00 0.00 62.75 63.54 1s6d n ILE 77 Cb 0.35 0.00 0.18 0.00 -0.75 0.00 0.00 39.64 39.42 1s6d n ILE 77 CO 0.00 0.00 0.00 0.08 0.56 0.00 0.00 176.55 177.19 1s6d h ARG 78 N 0.00 0.11 -0.89 0.38 0.11 -1.98 0.27 114.38 112.37 1s6d h ARG 78 Ca 0.00 -0.01 0.25 0.00 0.10 0.00 0.00 59.98 60.32 1s6d h ARG 78 Cb 0.00 -0.02 -0.15 0.00 1.11 0.00 0.00 29.97 30.91 1s6d h ARG 78 CO 0.00 0.07 0.22 0.00 0.10 0.00 0.00 179.97 180.36 1s6d h MET 79 N 0.11 0.16 -0.50 0.08 -0.00 -1.92 0.35 114.93 113.21 1s6d h MET 79 Ca 0.44 -0.01 0.05 0.00 -0.00 0.00 0.00 59.70 60.18 1s6d h MET 79 Cb 0.80 -0.04 -0.04 0.00 -0.00 0.00 0.00 31.60 32.31 1s6d h MET 79 CO -0.69 0.11 0.25 -0.09 -0.00 0.00 0.00 176.91 176.49 1s6d h ARG 80 N 0.17 0.47 -0.14 -0.10 9.65 -0.74 -3.26 114.38 120.44 1s6d h ARG 80 Ca 0.57 -0.03 0.01 0.00 -1.10 0.00 0.00 59.98 59.43 1s6d h ARG 80 Cb 1.17 -0.11 -0.02 0.00 -1.39 0.00 0.00 29.97 29.63 1s6d h ARG 80 CO -0.70 0.31 -0.08 -3.47 2.80 0.00 0.00 179.97 178.84 1s6d n ASP 81 N -4.89 -0.14 0.00 -3.80 2.03 0.12 0.10 116.55 109.97 1s6d n ASP 81 Ca 0.04 0.24 0.00 0.00 0.52 0.00 0.00 54.79 55.60 1s6d n ASP 81 Cb 0.14 -0.03 0.00 0.00 -0.72 0.00 0.00 41.12 40.50 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 -4.17 0.00 -0.24 -0.67 1.13 -1.23 -3.41 117.38 108.79 1s6d n GLN 82 Ca 0.00 0.31 0.22 0.00 -1.94 0.00 0.00 57.00 55.59 1s6d n GLN 82 Cb 0.04 -1.10 0.39 0.00 0.11 0.00 0.00 30.24 29.68 1s6d n GLN 82 CO 0.00 0.00 0.00 1.55 -1.44 0.00 0.00 177.06 177.17 1s6d n VAL 83 N -1.42 -0.23 -0.62 5.09 3.14 -0.69 -0.08 118.33 123.51 1s6d n VAL 83 Ca 0.00 1.23 0.48 0.00 -2.96 0.00 0.00 64.34 63.09 1s6d n VAL 83 Cb 0.00 -2.01 0.75 0.00 -1.06 0.00 0.00 33.84 31.53 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 -4.25 -0.01 -0.98 1.45 0.00 0.28 0.57 117.12 114.19 1s6d n MET 84 Ca 0.25 1.07 -0.17 0.00 0.00 0.00 0.00 57.70 58.84 1s6d n MET 84 Cb 0.88 -2.38 0.01 0.00 0.00 0.00 0.00 33.22 31.74 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 -4.02 6.38 0.00 6.12 2.88 0.88 -3.75 113.62 122.12 1s6d n SER 85 Ca 0.42 -3.04 0.00 0.00 -1.33 0.00 0.00 58.87 54.92 1s6d n SER 85 Cb 1.82 -1.10 0.00 0.00 -0.75 0.00 0.00 64.21 64.18 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 0.56 0.00 0.00 -1.46 2.81 0.19 -4.84 117.12 114.38 1s6d n MET 86 Ca 0.32 0.00 0.07 0.00 -1.81 0.00 0.00 57.70 56.28 1s6d n MET 86 Cb 0.58 -0.04 0.41 0.00 -0.71 0.00 0.00 33.22 33.46 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 -2.11 2.54 -0.05 3.04 0.00 -1.04 -0.24 120.51 122.65 1s6d n ALA 87 Ca 0.00 -0.09 0.01 0.00 0.00 0.00 0.00 53.44 53.37 1s6d n ALA 87 Cb 0.00 -1.22 -0.16 0.00 0.00 0.00 0.00 19.45 18.06 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 -0.73 0.03 0.06 0.00 1.44 -1.25 -4.28 115.22 110.49 1s6d n HIS 88 Ca 0.10 0.01 0.06 0.00 -2.01 0.00 0.00 57.72 55.88 1s6d n HIS 88 Cb 0.05 -0.74 -0.09 0.00 0.12 0.00 0.00 29.99 29.33 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 -2.50 2.10 0.01 4.39 5.03 -1.03 -4.16 115.26 119.10 1s6d n ASN 89 Ca -0.17 -0.09 -0.12 0.00 0.87 0.00 0.00 54.58 55.07 1s6d n ASN 89 Cb 0.84 1.48 -0.07 0.00 -1.02 0.00 0.00 39.78 41.01 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 0.04 -0.72 3.41 3.38 -0.83 0.33 115.31 120.91 1s6d h LEU 90 Ca 0.00 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 1s6d h LEU 90 Cb 0.51 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1s6d h LEU 90 CO 0.00 0.17 -0.17 1.55 0.09 0.00 0.00 178.44 180.09 1s6d h PRO 91 N -0.10 0.00 0.02 1.13 0.13 -1.81 -3.25 132.00 128.13 1s6d h PRO 91 Ca 0.01 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.07 1s6d h PRO 91 Cb 0.15 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.28 1s6d h PRO 91 CO -0.00 0.17 -0.28 0.82 -0.23 0.00 0.00 178.00 178.47 1s6d h ILE 92 N 0.00 1.61 -0.52 -3.56 2.04 -1.68 0.51 117.51 115.91 1s6d h ILE 92 Ca -0.00 -2.15 0.15 0.00 1.00 0.00 0.00 64.86 63.86 1s6d h ILE 92 Cb 0.87 3.01 -0.02 0.00 -0.74 0.00 0.00 36.82 39.93 1s6d h ILE 92 CO 0.02 0.58 0.63 -0.33 0.00 0.00 0.00 178.15 179.06 1s6d h GLU 93 N -0.61 0.00 0.00 2.37 4.39 -0.38 -3.09 114.58 117.26 1s6d h GLU 93 Ca -0.04 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1s6d h GLU 93 Cb 1.11 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.76 1s6d h GLU 93 CO 0.05 0.00 0.00 0.00 -1.16 0.00 0.00 179.01 177.90 1s6d n ASN 95 N 0.00 0.00 -0.04 0.00 4.05 -1.07 -4.99 115.26 113.20 1s6d n ASN 95 Ca 0.00 0.00 -0.03 0.00 0.45 0.00 0.00 54.58 55.00 1s6d n ASN 95 Cb 0.00 0.00 -0.01 0.00 1.23 0.00 0.00 39.78 41.00 1s6d n ASN 95 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 1s6d n LEU 96 N 0.00 1.10 -0.48 1.20 4.77 0.15 -4.65 117.00 119.10 1s6d n LEU 96 Ca 0.00 0.48 0.09 0.00 -0.03 0.00 0.00 56.01 56.55 1s6d n LEU 96 Cb 0.00 -0.73 0.19 0.00 -2.33 0.00 0.00 43.42 40.56 1s6d n LEU 96 CO 0.00 -0.48 0.62 1.15 -1.33 0.00 0.00 177.39 177.35 1s6d n MET 97 N -3.69 1.97 0.00 3.23 0.00 -1.10 -4.52 117.12 113.01 1s6d n MET 97 Ca -0.04 -2.75 0.00 0.00 0.00 0.00 0.00 57.70 54.91 1s6d n MET 97 Cb 0.16 -1.66 0.00 0.00 0.00 0.00 0.00 33.22 31.72 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 -2.72 3.17 3.41 -1.26 -4.34 113.62 110.83 1s6d n SER 98 Ca 0.19 0.90 -0.08 0.00 -0.26 0.00 0.00 58.87 59.63 1s6d n SER 98 Cb 0.76 -0.45 0.10 0.00 -0.26 0.00 0.00 64.21 64.37 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 -2.89 1.14 0.10 4.33 10.64 -1.26 -4.97 117.38 124.46 1s6d n GLN 99 Ca 0.00 -1.98 -0.05 0.00 -1.83 0.00 0.00 57.00 53.14 1s6d n GLN 99 Cb 0.00 -0.45 -0.02 0.00 -0.86 0.00 0.00 30.24 28.90 1s6d n GLN 99 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.06 174.23 1s6d h PRO 100 N 2.39 -0.29 -6.38 2.61 0.13 -1.87 -3.42 132.00 125.16 1s6d h PRO 100 Ca -0.20 0.02 -0.57 0.00 -0.87 0.00 0.00 66.00 64.38 1s6d h PRO 100 Cb 1.22 0.07 -0.04 0.00 0.13 0.00 0.00 31.00 32.38 1s6d h PRO 100 CO 0.04 -0.20 1.18 0.00 -0.23 0.00 0.00 178.00 178.80 1s6d n GLN 102 N 8.30 1.12 0.00 0.00 6.02 -1.26 -5.12 117.38 126.44 1s6d n GLN 102 Ca 0.20 -2.19 0.00 0.00 -0.01 0.00 0.00 57.00 55.00 1s6d n GLN 102 Cb 0.47 0.74 0.00 0.00 1.02 0.00 0.00 30.24 32.47 1s6d n GLN 102 CO 0.00 0.00 0.00 -0.12 -1.01 0.00 0.00 177.06 175.93