#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 0.84 0.00 0.54 2.02 -1.26 -5.14 117.35 114.35 1s6d s TYR 2 Ca 0.00 -1.11 0.00 0.00 -0.37 0.00 0.00 57.07 55.59 1s6d s TYR 2 Cb 0.00 -0.09 0.00 0.00 -0.40 0.00 0.00 41.96 41.47 1s6d s TYR 2 CO 0.00 -0.97 0.00 0.41 -1.57 0.00 0.00 175.55 173.42 1s6d n GLY 3 N -0.44 -0.21 3.26 0.71 0.00 -1.26 -5.12 105.19 102.14 1s6d n GLY 3 Ca 0.00 0.67 -0.42 0.00 0.00 0.00 0.00 46.02 46.27 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 0.00 2.67 0.78 1.61 3.00 -1.26 -5.01 118.95 120.74 1s6d s ARG 4 Ca 0.00 -1.67 0.00 0.00 -1.00 0.00 0.00 55.73 53.06 1s6d s ARG 4 Cb 0.00 -4.02 0.00 0.00 0.00 0.00 0.00 34.95 30.93 1s6d s ARG 4 CO 0.00 -1.18 0.00 0.41 0.00 0.00 0.00 175.30 174.53 1s6d n GLY 5 N 5.03 -1.72 3.99 8.12 0.00 -1.26 -4.92 105.19 114.42 1s6d n GLY 5 Ca -0.10 -1.20 -0.21 0.00 0.00 0.00 0.00 46.02 44.51 1s6d n GLY 5 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1s6d s ARG 6 N -1.24 2.40 0.00 1.61 1.81 -1.26 -5.13 118.95 117.14 1s6d s ARG 6 Ca 0.00 -1.02 0.00 0.00 -1.72 0.00 0.00 55.73 52.99 1s6d s ARG 6 Cb 0.00 -2.52 0.00 0.00 -0.45 0.00 0.00 34.95 31.98 1s6d s ARG 6 CO 0.00 -0.79 0.00 0.25 -0.68 0.00 0.00 175.30 174.08 1s6d n THR 7 N -2.34 0.00 -0.17 0.02 -2.24 -1.26 -5.16 114.28 103.13 1s6d n THR 7 Ca 0.10 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.70 1s6d n THR 7 Cb 0.60 0.00 0.18 0.00 -2.10 0.00 0.00 70.33 69.01 1s6d n THR 7 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1s6d n GLU 8 N 0.00 -3.45 -1.92 -0.78 -0.58 -1.26 -5.06 120.64 107.60 1s6d n GLU 8 Ca 0.00 -0.88 -0.11 0.00 -0.42 0.00 0.00 57.16 55.75 1s6d n GLU 8 Cb 0.00 -1.19 0.05 0.00 -0.57 0.00 0.00 31.44 29.73 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 -4.33 0.98 0.00 1.62 7.64 -1.26 -5.04 113.62 113.24 1s6d n SER 9 Ca 0.08 -1.75 0.00 0.00 1.01 0.00 0.00 58.87 58.21 1s6d n SER 9 Cb 0.36 -0.28 0.00 0.00 -1.01 0.00 0.00 64.21 63.28 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 0.98 -1.99 0.06 0.23 0.00 -1.26 -4.97 105.19 98.24 1s6d n GLY 10 Ca 0.09 0.75 -0.12 0.00 0.00 0.00 0.00 46.02 46.74 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 -0.03 0.85 -0.39 0.00 5.03 -1.93 0.37 116.97 120.87 1s6d h TYR 12 Ca 0.02 0.04 -0.15 0.00 2.58 0.00 0.00 58.73 61.21 1s6d h TYR 12 Cb 0.11 -0.21 -0.01 0.00 1.55 0.00 0.00 36.73 38.17 1s6d h TYR 12 CO -0.04 -0.20 -0.35 0.37 -1.32 0.00 0.00 178.16 176.62 1s6d h GLN 13 N 0.29 0.93 0.00 1.82 5.75 -1.58 -2.66 115.11 119.66 1s6d h GLN 13 Ca 0.72 -0.48 0.00 0.00 -0.15 0.00 0.00 58.65 58.74 1s6d h GLN 13 Cb 1.64 0.01 0.00 0.00 1.07 0.00 0.00 27.48 30.20 1s6d h GLN 13 CO -0.62 1.13 0.00 -0.56 -2.65 0.00 0.00 178.83 176.13 1s6d h GLN 14 N 0.75 0.00 0.27 1.69 3.07 0.43 -2.74 115.11 118.59 1s6d h GLN 14 Ca 0.07 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.79 1s6d h GLN 14 Cb 0.94 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.51 1s6d h GLN 14 CO 0.09 0.00 -0.13 0.52 0.09 0.00 0.00 178.83 179.40 1s6d h MET 15 N 0.00 -0.35 -0.42 0.06 2.86 -0.28 -2.64 114.93 114.17 1s6d h MET 15 Ca 0.00 0.02 -0.06 0.00 -2.06 0.00 0.00 59.70 57.60 1s6d h MET 15 Cb 0.51 0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.24 1s6d h MET 15 CO 0.00 -0.16 0.03 0.93 1.06 0.00 0.00 176.91 178.77 1s6d h GLU 16 N -1.07 0.72 0.00 1.72 5.08 -1.57 0.24 114.58 119.70 1s6d h GLU 16 Ca -0.04 -0.22 -0.00 0.00 -1.00 0.00 0.00 59.36 58.11 1s6d h GLU 16 Cb 0.36 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.53 1s6d h GLU 16 CO 0.06 0.78 -0.00 1.49 -1.00 0.00 0.00 179.01 180.34 1s6d h GLU 17 N 0.56 0.00 -0.48 2.33 4.22 -1.63 -1.23 114.58 118.36 1s6d h GLU 17 Ca 0.12 0.00 -0.35 0.00 0.08 0.00 0.00 59.36 59.21 1s6d h GLU 17 Cb 0.44 0.00 -0.32 0.00 0.50 0.00 0.00 28.75 29.38 1s6d h GLU 17 CO 0.02 0.00 -0.80 0.00 -2.18 0.00 0.00 179.01 176.05 1s6d n ALA 18 N -2.16 4.19 -0.44 2.92 0.00 -0.59 -5.04 120.51 119.38 1s6d n ALA 18 Ca -0.03 -3.44 -0.06 0.00 0.00 0.00 0.00 53.44 49.91 1s6d n ALA 18 Cb 0.08 -0.43 -0.06 0.00 0.00 0.00 0.00 19.45 19.04 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 -0.72 0.00 -0.07 0.00 0.28 0.73 -4.67 120.64 116.20 1s6d n GLU 19 Ca 0.30 0.00 -0.07 0.00 -0.16 0.00 0.00 57.16 57.23 1s6d n GLU 19 Cb 0.89 -0.32 -0.09 0.00 1.43 0.00 0.00 31.44 33.35 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 1.68 1.67 -0.53 3.44 0.00 -1.26 -4.20 117.12 117.92 1s6d n MET 20 Ca 0.17 0.01 0.09 0.00 0.00 0.00 0.00 57.70 57.98 1s6d n MET 20 Cb 0.07 -1.32 0.33 0.00 0.00 0.00 0.00 33.22 32.30 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 -2.56 4.33 0.00 3.17 7.99 -1.26 -3.81 117.00 124.86 1s6d n LEU 21 Ca -0.22 -2.18 -0.07 0.00 -0.01 0.00 0.00 56.01 53.53 1s6d n LEU 21 Cb 0.89 -0.54 -0.13 0.00 -0.11 0.00 0.00 43.42 43.53 1s6d n LEU 21 CO 0.25 0.81 -0.38 -1.13 -1.51 0.00 0.00 177.39 175.43 1s6d h ASN 22 N 3.92 0.00 0.00 -1.43 -1.24 -1.94 -2.99 115.58 111.91 1s6d h ASN 22 Ca 0.00 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.01 1s6d h ASN 22 Cb 1.27 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 40.32 1s6d h ASN 22 CO 0.17 0.93 -0.03 0.45 -1.29 0.00 0.00 177.43 177.66 1s6d h HIS 23 N 0.00 0.00 -0.05 0.67 3.86 -1.79 -2.78 115.15 115.06 1s6d h HIS 23 Ca -0.22 0.00 0.02 0.00 -1.16 0.00 0.00 60.37 59.00 1s6d h HIS 23 Cb 1.91 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 30.37 1s6d h HIS 23 CO 0.00 0.24 0.09 0.00 0.86 0.00 0.00 177.93 179.12 1s6d h GLY 25 N 0.00 -0.20 0.22 0.00 0.00 -1.53 -3.14 103.07 98.42 1s6d h GLY 25 Ca 0.02 0.07 0.18 0.00 0.00 0.00 0.00 47.33 47.61 1s6d h GLY 25 CO -0.00 -0.07 0.61 -0.33 0.00 0.00 0.00 176.54 176.75 1s6d h MET 26 N -0.51 0.74 -0.80 4.80 2.86 -1.14 0.43 114.93 121.30 1s6d h MET 26 Ca -0.02 -0.04 0.09 0.00 -2.06 0.00 0.00 59.70 57.67 1s6d h MET 26 Cb 0.40 -0.17 -0.05 0.00 0.06 0.00 0.00 31.60 31.84 1s6d h MET 26 CO 0.03 0.49 0.52 -0.92 1.06 0.00 0.00 176.91 178.10 1s6d h TYR 27 N 0.76 0.81 0.00 -0.22 5.03 -1.52 0.35 116.97 122.18 1s6d h TYR 27 Ca 0.55 0.02 -0.16 0.00 2.58 0.00 0.00 58.73 61.73 1s6d h TYR 27 Cb 0.86 -0.26 -0.03 0.00 1.55 0.00 0.00 36.73 38.85 1s6d h TYR 27 CO -0.00 0.39 -1.29 -0.07 -1.32 0.00 0.00 178.16 175.86 1s6d h LEU 28 N 0.76 0.00 -1.17 2.82 3.38 -0.42 -3.30 115.31 117.39 1s6d h LEU 28 Ca 0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.34 1s6d h LEU 28 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1s6d h LEU 28 CO -0.14 0.56 0.00 0.80 0.09 0.00 0.00 178.44 179.75 1s6d n MET 29 N -2.93 1.76 0.09 1.13 1.56 0.11 -3.88 117.12 114.95 1s6d n MET 29 Ca -0.08 -1.15 -0.02 0.00 -0.27 0.00 0.00 57.70 56.18 1s6d n MET 29 Cb 0.82 -1.35 -0.05 0.00 2.15 0.00 0.00 33.22 34.79 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 2.13 0.00 -0.01 2.12 1.79 -0.42 -2.97 116.57 119.21 1s6d h LYS 30 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1s6d h LYS 30 Cb 0.48 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.13 1s6d h LYS 30 CO 0.00 0.69 -0.75 -1.71 -1.08 0.00 0.00 179.45 176.59 1s6d n ASN 31 N -3.24 1.49 0.03 0.86 5.15 -1.25 -4.16 115.26 114.14 1s6d n ASN 31 Ca -0.01 -1.24 0.13 0.00 -0.60 0.00 0.00 54.58 52.85 1s6d n ASN 31 Cb 0.84 0.75 0.32 0.00 -0.53 0.00 0.00 39.78 41.17 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 -0.80 0.50 0.00 1.20 4.77 -1.15 -5.00 117.00 116.51 1s6d n LEU 32 Ca 0.06 0.25 0.00 0.00 -0.03 0.00 0.00 56.01 56.29 1s6d n LEU 32 Cb 0.40 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 1s6d n LEU 32 CO 0.36 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 1s6d n GLY 33 N 1.42 1.17 2.46 -0.72 0.00 -1.13 -5.00 105.19 103.40 1s6d n GLY 33 Ca 0.05 -0.87 -0.23 0.00 0.00 0.00 0.00 46.02 44.97 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 1.21 1.87 -1.43 1.61 2.13 -1.25 -4.94 120.64 119.84 1s6d n GLU 34 Ca 0.00 -4.01 -0.29 0.00 0.66 0.00 0.00 57.16 53.51 1s6d n GLU 34 Cb 0.00 -1.87 0.12 0.00 0.27 0.00 0.00 31.44 29.96 1s6d n GLU 34 CO 0.00 0.00 0.00 -0.98 -0.41 0.00 0.00 177.13 175.74 1s6d s ARG 35 N -2.54 1.45 0.00 5.31 1.70 -1.26 -5.07 118.95 118.53 1s6d s ARG 35 Ca 0.42 0.56 0.00 0.00 -0.47 0.00 0.00 55.73 56.24 1s6d s ARG 35 Cb 0.27 -1.85 0.00 0.00 -0.57 0.00 0.00 34.95 32.79 1s6d s ARG 35 CO -0.09 -2.04 0.00 -1.13 -1.08 0.00 0.00 175.30 170.95 1s6d n SER 36 N -3.71 0.00 -4.52 -2.89 3.41 -1.26 -5.13 113.62 99.52 1s6d n SER 36 Ca 0.07 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.25 1s6d n SER 36 Cb 0.57 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.45 1s6d n SER 36 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1s6d s GLN 37 N 0.00 3.32 -0.24 4.33 -2.07 -1.26 -5.00 119.66 118.74 1s6d s GLN 37 Ca 0.00 -0.33 -0.28 0.00 -1.82 0.00 0.00 55.36 52.93 1s6d s GLN 37 Cb 0.00 -3.94 0.16 0.00 -1.09 0.00 0.00 33.01 28.14 1s6d s GLN 37 CO 0.00 -0.99 1.18 0.54 -1.32 0.00 0.00 175.29 174.71 1s6d s VAL 38 N 2.82 0.00 -0.49 3.63 0.11 -1.26 -5.11 120.40 120.11 1s6d s VAL 38 Ca 0.23 0.00 -0.45 0.00 -2.93 0.00 0.00 61.98 58.83 1s6d s VAL 38 Cb -0.14 -1.00 -0.19 0.00 -1.53 0.00 0.00 36.38 33.52 1s6d s VAL 38 CO 0.19 0.00 1.90 -0.24 -3.33 0.00 0.00 175.10 173.62 1s6d n SER 39 N 1.03 1.04 -2.80 3.54 2.88 -1.26 -4.75 113.62 113.30 1s6d n SER 39 Ca -0.07 0.90 -0.19 0.00 -1.33 0.00 0.00 58.87 58.17 1s6d n SER 39 Cb 0.58 -0.91 -0.06 0.00 -0.75 0.00 0.00 64.21 63.07 1s6d n SER 39 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1s6d n PRO 40 N 5.99 2.07 -3.01 -1.46 -0.04 -1.26 -4.45 135.00 132.85 1s6d n PRO 40 Ca 0.44 -1.28 -0.00 0.00 -0.04 0.00 0.00 63.50 62.61 1s6d n PRO 40 Cb -0.03 -2.27 -0.00 0.00 -0.04 0.00 0.00 33.50 31.15 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 2.52 0.77 0.10 0.54 3.00 -1.26 -5.04 118.95 119.57 1s6d s ARG 41 Ca 0.47 -0.43 0.00 0.00 -1.00 0.00 0.00 55.73 54.77 1s6d s ARG 41 Cb 0.16 0.05 0.00 0.00 0.00 0.00 0.00 34.95 35.16 1s6d s ARG 41 CO -0.03 -1.05 0.00 -1.33 0.00 0.00 0.00 175.30 172.89 1s6d n MET 42 N 3.87 0.00 -3.69 5.12 0.00 -1.26 -5.15 117.12 116.01 1s6d n MET 42 Ca 0.12 0.00 -0.14 0.00 0.00 0.00 0.00 57.70 57.68 1s6d n MET 42 Cb 0.58 0.00 -0.08 0.00 0.00 0.00 0.00 33.22 33.72 1s6d n MET 42 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 175.97 174.99 1s6d s ARG 43 N -1.26 0.71 -0.02 0.03 1.70 -1.26 -5.17 118.95 113.68 1s6d s ARG 43 Ca 0.00 0.25 0.02 0.00 -0.47 0.00 0.00 55.73 55.53 1s6d s ARG 43 Cb 0.00 0.33 0.00 0.00 -0.57 0.00 0.00 34.95 34.71 1s6d s ARG 43 CO 0.00 -0.17 -0.08 -1.83 -1.08 0.00 0.00 175.30 172.14 1s6d s GLU 44 N -0.67 0.82 -0.36 3.89 1.03 -1.26 -5.10 118.70 117.05 1s6d s GLU 44 Ca -0.08 -0.27 0.04 0.00 0.03 0.00 0.00 54.97 54.69 1s6d s GLU 44 Cb -0.03 -0.78 0.16 0.00 -0.80 0.00 0.00 34.13 32.68 1s6d s GLU 44 CO 0.04 0.11 0.43 -1.21 -1.33 0.00 0.00 175.26 173.30 1s6d s GLU 45 N 0.13 0.63 0.50 -4.83 0.41 -1.26 -5.14 118.70 109.14 1s6d s GLU 45 Ca -0.02 -0.56 -0.20 0.00 -0.41 0.00 0.00 54.97 53.79 1s6d s GLU 45 Cb -0.07 -0.50 -0.11 0.00 -1.78 0.00 0.00 34.13 31.67 1s6d s GLU 45 CO 0.00 -1.16 0.41 -0.40 -0.49 0.00 0.00 175.26 173.62 1s6d n ASP 46 N 4.49 -1.48 -4.91 -0.19 5.68 -1.26 -5.01 116.55 113.88 1s6d n ASP 46 Ca 0.09 0.78 -0.20 0.00 -0.50 0.00 0.00 54.79 54.96 1s6d n ASP 46 Cb 0.48 -1.09 -0.02 0.00 -1.14 0.00 0.00 41.12 39.35 1s6d n ASP 46 CO 0.00 0.00 0.00 -1.00 -1.33 0.00 0.00 177.20 174.87 1s6d s HIS 47 N -1.68 2.79 0.00 2.11 3.76 -1.26 -4.88 115.29 116.13 1s6d s HIS 47 Ca 0.65 -0.42 0.00 0.00 -0.15 0.00 0.00 55.06 55.14 1s6d s HIS 47 Cb -0.51 -2.15 0.00 0.00 1.11 0.00 0.00 32.58 31.03 1s6d s HIS 47 CO 0.58 -0.14 0.00 1.63 -0.85 0.00 0.00 174.74 175.96 1s6d n LYS 48 N -1.60 0.00 -0.04 1.40 4.76 -1.26 -4.92 118.16 116.50 1s6d n LYS 48 Ca 0.04 0.00 0.03 0.00 -2.87 0.00 0.00 58.31 55.50 1s6d n LYS 48 Cb 0.60 0.00 0.04 0.00 -1.84 0.00 0.00 35.03 33.83 1s6d n LYS 48 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1s6d n GLN 49 N 0.00 2.15 0.19 1.97 6.02 -1.26 -4.61 117.38 121.84 1s6d n GLN 49 Ca 0.00 -1.69 0.14 0.00 -0.01 0.00 0.00 57.00 55.44 1s6d n GLN 49 Cb 0.00 -1.07 0.58 0.00 1.02 0.00 0.00 30.24 30.76 1s6d n GLN 49 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1s6d h LEU 50 N 0.00 0.00 0.00 1.08 3.38 -1.91 -0.14 115.31 117.72 1s6d h LEU 50 Ca 0.00 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.77 1s6d h LEU 50 Cb 0.72 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.44 1s6d h LEU 50 CO 0.00 0.00 -1.09 0.00 0.09 0.00 0.00 178.44 177.44 1s6d n MET 53 N -2.14 0.00 0.15 0.00 0.00 -0.08 -2.85 117.12 112.19 1s6d n MET 53 Ca -0.00 0.17 0.11 0.00 0.00 0.00 0.00 57.70 57.98 1s6d n MET 53 Cb 0.08 -0.93 0.54 0.00 0.00 0.00 0.00 33.22 32.91 1s6d n MET 53 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 175.97 177.01 1s6d n GLN 54 N -1.01 0.16 0.04 2.12 6.02 -1.21 -1.09 117.38 122.42 1s6d n GLN 54 Ca 0.00 0.55 -0.02 0.00 -0.01 0.00 0.00 57.00 57.52 1s6d n GLN 54 Cb 0.00 -1.91 0.25 0.00 1.02 0.00 0.00 30.24 29.60 1s6d n GLN 54 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1s6d h LEU 55 N 0.00 0.41 0.00 1.08 3.38 -1.40 -0.98 115.31 117.80 1s6d h LEU 55 Ca 0.00 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1s6d h LEU 55 Cb 0.15 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1s6d h LEU 55 CO 0.00 0.63 0.00 1.17 0.09 0.00 0.00 178.44 180.33 1s6d n LYS 56 N -4.17 0.22 0.05 1.13 4.81 -0.25 -2.23 118.16 117.72 1s6d n LYS 56 Ca -0.00 0.12 0.11 0.00 -0.87 0.00 0.00 58.31 57.67 1s6d n LYS 56 Cb 0.36 -1.50 0.01 0.00 0.02 0.00 0.00 35.03 33.92 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 -1.33 0.61 -2.69 3.14 3.02 -0.39 -4.96 115.26 112.66 1s6d n ASN 57 Ca 0.08 -0.01 -0.03 0.00 -0.03 0.00 0.00 54.58 54.60 1s6d n ASN 57 Cb 0.17 0.78 0.03 0.00 -0.61 0.00 0.00 39.78 40.15 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 -2.20 0.00 -4.87 3.41 4.77 -0.95 -5.04 117.00 112.12 1s6d n LEU 58 Ca 0.01 -0.11 -0.37 0.00 -0.03 0.00 0.00 56.01 55.51 1s6d n LEU 58 Cb 0.48 -0.10 -0.06 0.00 -2.33 0.00 0.00 43.42 41.41 1s6d n LEU 58 CO 0.40 -1.22 -0.14 -1.81 -1.33 0.00 0.00 177.39 173.29 1s6d s ASP 59 N -1.86 6.42 0.20 -1.43 1.11 -1.26 -4.97 116.67 114.88 1s6d s ASP 59 Ca 0.07 0.51 0.20 0.00 0.18 0.00 0.00 52.55 53.51 1s6d s ASP 59 Cb -0.01 -2.09 0.88 0.00 1.07 0.00 0.00 42.92 42.77 1s6d s ASP 59 CO 0.05 0.39 1.60 1.21 1.18 0.00 0.00 175.17 179.61 1s6d n GLU 60 N 2.01 0.13 -0.00 8.23 4.07 -1.26 0.12 120.64 133.94 1s6d n GLU 60 Ca -0.19 0.44 0.10 0.00 -0.06 0.00 0.00 57.16 57.44 1s6d n GLU 60 Cb 0.55 -1.79 -0.13 0.00 -0.06 0.00 0.00 31.44 30.00 1s6d n GLU 60 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 1s6d n LYS 61 N -2.05 0.33 0.00 5.31 5.02 -1.26 -4.17 118.16 121.34 1s6d n LYS 61 Ca 0.02 -0.07 0.10 0.00 -2.02 0.00 0.00 58.31 56.34 1s6d n LYS 61 Cb 0.17 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.69 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 0.04 3.76 0.00 0.00 2.81 0.12 -2.17 117.12 121.68 1s6d n MET 63 Ca 0.08 -3.30 0.00 0.00 -1.81 0.00 0.00 57.70 52.67 1s6d n MET 63 Cb 0.42 -2.89 0.00 0.00 -0.71 0.00 0.00 33.22 30.04 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 0.25 0.04 0.00 0.13 -1.81 -3.27 132.00 127.34 1s6d h PRO 65 Ca 0.00 -0.29 -0.00 0.00 -0.87 0.00 0.00 66.00 64.83 1s6d h PRO 65 Cb 0.00 0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.22 1s6d h PRO 65 CO 0.00 1.03 -0.02 0.00 -0.23 0.00 0.00 178.00 178.78 1s6d h ALA 66 N 0.86 -0.05 -0.98 -0.56 0.00 -1.77 -3.17 119.26 113.60 1s6d h ALA 66 Ca -0.06 -0.26 0.40 0.00 0.00 0.00 0.00 54.91 54.98 1s6d h ALA 66 Cb 1.60 0.02 -0.18 0.00 0.00 0.00 0.00 17.79 19.23 1s6d h ALA 66 CO 0.15 -0.25 0.49 -0.89 0.00 0.00 0.00 179.25 178.74 1s6d n ILE 67 N -4.86 -0.41 0.01 0.00 5.41 -1.23 0.12 119.36 118.41 1s6d n ILE 67 Ca -0.09 2.00 -0.05 0.00 1.00 0.00 0.00 62.75 65.61 1s6d n ILE 67 Cb 0.28 -3.22 -0.03 0.00 -0.71 0.00 0.00 39.64 35.96 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 -0.21 -0.41 0.38 4.05 -1.60 -2.00 114.93 115.13 1s6d h MET 68 Ca 0.81 0.01 0.12 0.00 -0.28 0.00 0.00 59.70 60.36 1s6d h MET 68 Cb 2.12 0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 32.95 1s6d h MET 68 CO -0.77 -0.14 0.31 0.52 0.23 0.00 0.00 176.91 177.06 1s6d h MET 69 N -0.22 0.00 -0.85 0.39 2.86 -0.42 -0.22 114.93 116.48 1s6d h MET 69 Ca 0.01 0.00 0.06 0.00 -2.06 0.00 0.00 59.70 57.70 1s6d h MET 69 Cb 0.24 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.85 1s6d h MET 69 CO -0.13 0.00 0.55 1.98 1.06 0.00 0.00 176.91 180.37 1s6d h MET 70 N 0.00 0.94 -0.64 1.72 -1.53 -0.43 0.94 114.93 115.94 1s6d h MET 70 Ca 0.20 -0.06 0.00 0.00 -3.44 0.00 0.00 59.70 56.40 1s6d h MET 70 Cb 0.80 -0.21 0.00 0.00 -0.55 0.00 0.00 31.60 31.64 1s6d h MET 70 CO -0.00 0.62 0.00 1.28 0.14 0.00 0.00 176.91 178.95 1s6d n LEU 71 N -4.48 4.07 -0.13 3.39 4.77 -0.11 -3.83 117.00 120.69 1s6d n LEU 71 Ca 0.12 -2.05 0.02 0.00 -0.03 0.00 0.00 56.01 54.07 1s6d n LEU 71 Cb 0.18 -0.53 0.01 0.00 -2.33 0.00 0.00 43.42 40.76 1s6d n LEU 71 CO 0.33 0.70 0.23 0.59 -1.33 0.00 0.00 177.39 177.92 1s6d n ASN 72 N 0.94 1.05 -3.79 -1.43 5.03 0.24 -4.64 115.26 112.66 1s6d n ASN 72 Ca 0.22 -1.03 -0.30 0.00 0.87 0.00 0.00 54.58 54.34 1s6d n ASN 72 Cb 0.76 0.26 0.25 0.00 -1.02 0.00 0.00 39.78 40.03 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 -0.62 -1.65 0.00 3.52 -1.05 -0.69 -4.85 118.70 113.37 1s6d s GLU 73 Ca 0.04 0.08 -0.02 0.00 -0.15 0.00 0.00 54.97 54.92 1s6d s GLU 73 Cb 0.03 -1.53 -0.08 0.00 -0.44 0.00 0.00 34.13 32.11 1s6d s GLU 73 CO 0.08 -4.02 1.65 -0.35 0.95 0.00 0.00 175.26 173.57 1s6d n PRO 74 N -5.01 0.80 -0.64 -4.83 -0.04 -1.26 -2.63 135.00 121.39 1s6d n PRO 74 Ca 0.12 -0.31 -0.03 0.00 -0.04 0.00 0.00 63.50 63.24 1s6d n PRO 74 Cb 0.59 -1.57 -0.03 0.00 -0.04 0.00 0.00 33.50 32.46 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 2.39 0.00 -3.18 0.54 1.56 -1.26 -5.06 117.12 112.11 1s6d n MET 75 Ca 0.13 -0.41 0.01 0.00 -0.27 0.00 0.00 57.70 57.17 1s6d n MET 75 Cb 0.38 0.31 -0.01 0.00 2.15 0.00 0.00 33.22 36.05 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 -1.68 0.00 1.12 0.52 -1.08 -4.94 118.94 112.88 1s6d s TRP 76 Ca 0.00 0.34 0.00 0.00 0.02 0.00 0.00 56.10 56.46 1s6d s TRP 76 Cb 0.00 0.31 0.00 0.00 -1.15 0.00 0.00 33.47 32.63 1s6d s TRP 76 CO 0.00 -1.12 0.00 -0.89 0.02 0.00 0.00 176.95 174.96 1s6d n ILE 77 N 4.50 0.00 0.23 2.03 2.08 -1.26 -4.38 119.36 122.56 1s6d n ILE 77 Ca 0.10 0.00 0.18 0.00 0.56 0.00 0.00 62.75 63.59 1s6d n ILE 77 Cb 0.57 0.00 0.82 0.00 -0.75 0.00 0.00 39.64 40.28 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 0.00 0.02 0.38 0.11 -2.01 0.30 114.38 113.18 1s6d h ARG 78 Ca 0.00 0.00 -0.20 0.00 0.10 0.00 0.00 59.98 59.88 1s6d h ARG 78 Cb 0.00 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.06 1s6d h ARG 78 CO 0.00 0.00 -0.95 0.00 0.10 0.00 0.00 179.97 179.12 1s6d h MET 79 N 0.00 0.09 0.00 0.08 -0.00 -1.94 -3.18 114.93 109.98 1s6d h MET 79 Ca 0.08 -0.12 0.00 0.00 -0.00 0.00 0.00 59.70 59.66 1s6d h MET 79 Cb 0.75 0.04 0.00 0.00 -0.00 0.00 0.00 31.60 32.39 1s6d h MET 79 CO -0.00 0.96 0.03 -2.13 -0.00 0.00 0.00 176.91 175.77 1s6d n ARG 80 N -3.52 0.12 -0.35 -0.10 0.00 0.10 -3.51 116.66 109.41 1s6d n ARG 80 Ca -0.02 0.62 -0.02 0.00 -0.00 0.00 0.00 57.85 58.42 1s6d n ARG 80 Cb 0.87 -1.92 0.02 0.00 0.00 0.00 0.00 32.46 31.43 1s6d n ARG 80 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 1s6d n ASP 81 N -2.15 -0.63 0.00 6.15 -0.08 -1.20 0.50 116.55 119.14 1s6d n ASP 81 Ca -0.01 1.55 0.00 0.00 -1.51 0.00 0.00 54.79 54.82 1s6d n ASP 81 Cb 0.06 -0.33 0.00 0.00 2.34 0.00 0.00 41.12 43.19 1s6d n ASP 81 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1s6d n GLN 82 N -5.27 0.00 -0.20 -0.67 3.00 -1.23 -2.81 117.38 110.19 1s6d n GLN 82 Ca 0.08 0.48 0.18 0.00 -0.01 0.00 0.00 57.00 57.72 1s6d n GLN 82 Cb 0.33 -1.27 0.33 0.00 0.00 0.00 0.00 30.24 29.63 1s6d n GLN 82 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.06 178.61 1s6d n VAL 83 N -1.94 -0.26 -0.30 5.09 3.14 -1.11 -0.50 118.33 122.45 1s6d n VAL 83 Ca 0.00 1.29 -0.12 0.00 -2.96 0.00 0.00 64.34 62.55 1s6d n VAL 83 Cb 0.00 -2.04 -0.10 0.00 -1.06 0.00 0.00 33.84 30.64 1s6d n VAL 83 CO 0.00 0.00 0.00 -0.03 -6.46 0.00 0.00 176.83 170.34 1s6d h MET 84 N 0.00 -0.15 -1.73 1.45 -1.53 0.22 0.74 114.93 113.94 1s6d h MET 84 Ca 0.50 0.01 -0.11 0.00 -3.44 0.00 0.00 59.70 56.65 1s6d h MET 84 Cb 1.26 0.03 -0.05 0.00 -0.55 0.00 0.00 31.60 32.30 1s6d h MET 84 CO -0.50 -0.10 0.14 0.45 0.14 0.00 0.00 176.91 177.04 1s6d n SER 85 N -5.21 5.43 0.00 1.39 2.88 0.35 -3.56 113.62 114.89 1s6d n SER 85 Ca -0.00 -2.60 0.00 0.00 -1.33 0.00 0.00 58.87 54.94 1s6d n SER 85 Cb 0.28 -1.04 0.00 0.00 -0.75 0.00 0.00 64.21 62.71 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 0.98 0.00 -0.01 -1.46 2.00 0.71 -4.81 117.12 114.53 1s6d n MET 86 Ca 0.11 0.00 0.04 0.00 0.00 0.00 0.00 57.70 57.85 1s6d n MET 86 Cb 0.55 -0.24 0.24 0.00 0.00 0.00 0.00 33.22 33.76 1s6d n MET 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1s6d n ALA 87 N -1.75 2.54 -0.03 3.04 0.00 0.23 -0.94 120.51 123.59 1s6d n ALA 87 Ca 0.00 -0.09 0.06 0.00 0.00 0.00 0.00 53.44 53.41 1s6d n ALA 87 Cb 0.00 -1.12 -0.17 0.00 0.00 0.00 0.00 19.45 18.16 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 -0.54 0.00 -0.01 0.00 1.44 -1.23 -4.27 115.22 110.60 1s6d n HIS 88 Ca 0.07 0.00 0.05 0.00 -2.01 0.00 0.00 57.72 55.82 1s6d n HIS 88 Cb 0.05 -0.60 -0.09 0.00 0.12 0.00 0.00 29.99 29.47 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 -2.36 2.37 0.01 4.39 5.03 -1.05 -4.08 115.26 119.57 1s6d n ASN 89 Ca -0.10 0.00 -0.12 0.00 0.87 0.00 0.00 54.58 55.23 1s6d n ASN 89 Cb 0.69 1.47 -0.07 0.00 -1.02 0.00 0.00 39.78 40.85 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 0.06 -0.33 3.41 3.38 -1.26 0.83 115.31 121.40 1s6d h LEU 90 Ca -0.02 -0.08 -0.19 0.00 0.09 0.00 0.00 57.88 57.68 1s6d h LEU 90 Cb 0.62 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 1s6d h LEU 90 CO 0.00 0.12 -0.84 1.55 0.09 0.00 0.00 178.44 179.36 1s6d h PRO 91 N -0.00 0.20 -0.35 1.13 0.13 -1.81 -3.09 132.00 128.20 1s6d h PRO 91 Ca 0.02 -0.21 -0.03 0.00 -0.87 0.00 0.00 66.00 64.91 1s6d h PRO 91 Cb 0.07 0.06 -0.01 0.00 0.13 0.00 0.00 31.00 31.24 1s6d h PRO 91 CO -0.00 0.93 0.10 0.82 -0.23 0.00 0.00 178.00 179.61 1s6d h ILE 92 N 0.12 1.22 0.00 -3.56 2.04 -1.69 0.25 117.51 115.88 1s6d h ILE 92 Ca -0.04 -0.71 0.00 0.00 1.00 0.00 0.00 64.86 65.11 1s6d h ILE 92 Cb 1.45 1.02 0.00 0.00 -0.74 0.00 0.00 36.82 38.55 1s6d h ILE 92 CO 0.13 0.24 0.00 -0.33 0.00 0.00 0.00 178.15 178.19 1s6d h GLU 93 N 0.41 0.00 0.00 2.37 5.08 -0.86 0.22 114.58 121.81 1s6d h GLU 93 Ca 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1s6d h GLU 93 Cb 0.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.53 1s6d h GLU 93 CO -0.00 0.00 -0.59 0.00 -1.00 0.00 0.00 179.01 177.42 1s6d n ASN 95 N -1.73 -1.71 -0.06 0.00 4.05 0.78 -4.98 115.26 111.61 1s6d n ASN 95 Ca 0.04 0.00 -0.04 0.00 0.45 0.00 0.00 54.58 55.04 1s6d n ASN 95 Cb 0.38 -0.43 -0.02 0.00 1.23 0.00 0.00 39.78 40.93 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 -3.07 1.20 3.38 -0.71 -3.40 115.31 112.71 1s6d h LEU 96 Ca 0.00 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 1s6d h LEU 96 Cb 0.45 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 1s6d h LEU 96 CO 0.00 0.67 -0.04 1.15 0.09 0.00 0.00 178.44 180.31 1s6d n MET 97 N -4.70 1.68 0.00 1.13 0.00 -0.99 -4.55 117.12 109.68 1s6d n MET 97 Ca -0.04 -2.71 0.00 0.00 0.00 0.00 0.00 57.70 54.94 1s6d n MET 97 Cb 0.15 -1.60 0.00 0.00 0.00 0.00 0.00 33.22 31.78 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 -1.20 0.00 -2.74 3.17 3.41 -1.26 -4.25 113.62 110.74 1s6d n SER 98 Ca 0.18 0.70 -0.09 0.00 -0.26 0.00 0.00 58.87 59.41 1s6d n SER 98 Cb 0.71 -0.33 0.09 0.00 -0.26 0.00 0.00 64.21 64.42 1s6d n SER 98 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 1s6d n GLN 99 N -2.54 1.11 0.10 4.33 7.27 -1.26 -4.97 117.38 121.42 1s6d n GLN 99 Ca 0.00 -2.13 -0.05 0.00 0.07 0.00 0.00 57.00 54.89 1s6d n GLN 99 Cb 0.00 -0.64 -0.02 0.00 2.41 0.00 0.00 30.24 31.99 1s6d n GLN 99 CO 0.00 0.00 0.00 -1.00 0.07 0.00 0.00 177.06 176.13 1s6d h PRO 100 N 2.53 -0.29 -6.32 3.69 0.13 -1.88 -3.42 132.00 126.44 1s6d h PRO 100 Ca -0.17 0.02 -0.57 0.00 -0.87 0.00 0.00 66.00 64.41 1s6d h PRO 100 Cb 1.19 0.07 -0.04 0.00 0.13 0.00 0.00 31.00 32.35 1s6d h PRO 100 CO 0.10 -0.20 1.04 0.00 -0.23 0.00 0.00 178.00 178.72 1s6d n GLN 102 N 7.45 0.82 0.00 0.00 6.02 -1.26 -5.13 117.38 125.28 1s6d n GLN 102 Ca 0.17 -3.06 0.00 0.00 -0.01 0.00 0.00 57.00 54.10 1s6d n GLN 102 Cb 0.46 1.17 0.00 0.00 1.02 0.00 0.00 30.24 32.89 1s6d n GLN 102 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.06 174.72