#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 -1.96 -1.45 0.54 4.11 -1.26 -4.87 117.16 112.26 1s6d n TYR 2 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.90 1s6d n TYR 2 Cb 0.00 0.48 0.00 0.00 -0.00 0.00 0.00 39.34 39.82 1s6d n TYR 2 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1s6d n GLY 3 N -0.95 -4.62 3.78 -7.48 0.00 -1.26 -4.72 105.19 89.94 1s6d n GLY 3 Ca 0.00 -0.42 -0.37 0.00 0.00 0.00 0.00 46.02 45.23 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 -1.59 4.35 0.00 1.61 3.52 -1.26 -5.03 118.95 120.55 1s6d s ARG 4 Ca 0.00 1.48 0.00 0.00 -0.13 0.00 0.00 55.73 57.08 1s6d s ARG 4 Cb 0.00 -2.69 0.00 0.00 -1.56 0.00 0.00 34.95 30.70 1s6d s ARG 4 CO 0.00 0.03 0.00 0.41 -0.81 0.00 0.00 175.30 174.93 1s6d n GLY 5 N 0.49 2.44 2.93 8.12 0.00 -1.26 -5.04 105.19 112.87 1s6d n GLY 5 Ca 0.03 -0.33 -0.10 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.73 0.64 0.02 1.61 3.52 -1.26 -5.15 118.95 116.61 1s6d s ARG 6 Ca 0.00 -0.45 0.00 0.00 -0.13 0.00 0.00 55.73 55.15 1s6d s ARG 6 Cb 0.00 -0.38 -0.00 0.00 -1.56 0.00 0.00 34.95 33.01 1s6d s ARG 6 CO 0.00 -1.16 0.01 0.25 -0.81 0.00 0.00 175.30 173.59 1s6d n THR 7 N 4.55 0.00 -0.93 4.11 -2.24 -1.26 -5.17 114.28 113.35 1s6d n THR 7 Ca 0.09 -0.10 -0.09 0.00 -2.27 0.00 0.00 64.05 61.68 1s6d n THR 7 Cb 0.50 0.03 0.07 0.00 -2.10 0.00 0.00 70.33 68.83 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 -0.04 -1.15 -1.37 -0.78 -0.58 -1.26 -5.08 120.64 110.38 1s6d n GLU 8 Ca -0.00 -0.59 -0.27 0.00 -0.42 0.00 0.00 57.16 55.87 1s6d n GLU 8 Cb 0.03 -0.48 0.21 0.00 -0.57 0.00 0.00 31.44 30.63 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 -3.46 -0.95 0.00 1.62 7.64 -1.26 -4.88 113.62 112.34 1s6d n SER 9 Ca 0.05 -1.28 0.00 0.00 1.01 0.00 0.00 58.87 58.65 1s6d n SER 9 Cb 0.18 -0.94 0.00 0.00 -1.01 0.00 0.00 64.21 62.45 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 -3.63 0.51 0.15 0.23 0.00 -1.26 -4.85 105.19 96.33 1s6d n GLY 10 Ca 0.15 -0.10 0.11 0.00 0.00 0.00 0.00 46.02 46.18 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 0.00 -0.05 -0.62 0.00 3.20 -1.91 -3.14 116.97 114.45 1s6d h TYR 12 Ca 0.00 -0.00 0.08 0.00 3.14 0.00 0.00 58.73 61.95 1s6d h TYR 12 Cb 0.11 0.02 -0.06 0.00 1.54 0.00 0.00 36.73 38.33 1s6d h TYR 12 CO 0.00 0.59 0.28 0.37 -1.64 0.00 0.00 178.16 177.77 1s6d h GLN 13 N -0.90 0.50 0.00 1.82 -0.00 -1.64 0.39 115.11 115.27 1s6d h GLN 13 Ca -0.01 -0.03 0.00 0.00 -0.00 0.00 0.00 58.65 58.61 1s6d h GLN 13 Cb 0.67 -0.11 0.00 0.00 0.00 0.00 0.00 27.48 28.03 1s6d h GLN 13 CO 0.01 0.33 0.00 -0.56 0.00 0.00 0.00 178.83 178.61 1s6d h GLN 14 N 0.51 0.00 0.30 1.69 3.07 -1.62 -2.95 115.11 116.12 1s6d h GLN 14 Ca 0.30 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 59.03 1s6d h GLN 14 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.87 1s6d h GLN 14 CO -0.25 0.00 -0.15 1.98 0.09 0.00 0.00 178.83 180.50 1s6d h MET 15 N 0.00 -0.39 -0.86 0.06 4.05 -0.89 -2.91 114.93 113.99 1s6d h MET 15 Ca 0.00 0.03 0.13 0.00 -0.28 0.00 0.00 59.70 59.58 1s6d h MET 15 Cb 0.51 0.09 -0.09 0.00 -0.80 0.00 0.00 31.60 31.31 1s6d h MET 15 CO 0.00 -0.19 0.46 1.05 0.23 0.00 0.00 176.91 178.46 1s6d h GLU 16 N -1.07 0.67 0.00 0.39 4.11 -1.42 0.30 114.58 117.56 1s6d h GLU 16 Ca -0.04 -0.04 -0.02 0.00 0.07 0.00 0.00 59.36 59.33 1s6d h GLU 16 Cb 0.38 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 1s6d h GLU 16 CO 0.07 0.44 -0.07 1.49 0.07 0.00 0.00 179.01 181.01 1s6d h GLU 17 N 0.69 0.00 -0.65 1.06 4.81 -1.63 -2.83 114.58 116.03 1s6d h GLU 17 Ca 0.45 0.00 -0.43 0.00 -0.13 0.00 0.00 59.36 59.25 1s6d h GLU 17 Cb 0.58 0.00 -0.42 0.00 0.63 0.00 0.00 28.75 29.54 1s6d h GLU 17 CO -0.33 0.07 -0.94 0.00 -0.73 0.00 0.00 179.01 177.09 1s6d n ALA 18 N -2.25 4.08 -0.61 2.92 0.00 -0.24 -5.05 120.51 119.35 1s6d n ALA 18 Ca -0.02 -3.40 -0.05 0.00 0.00 0.00 0.00 53.44 49.97 1s6d n ALA 18 Cb 0.19 -0.55 -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 -0.65 0.00 -0.09 0.00 0.28 0.89 -4.71 120.64 116.36 1s6d n GLU 19 Ca 0.29 0.00 -0.15 0.00 -0.16 0.00 0.00 57.16 57.14 1s6d n GLU 19 Cb 0.90 -0.49 -0.09 0.00 1.43 0.00 0.00 31.44 33.18 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 4.93 0.00 -1.62 3.44 -0.00 -1.90 -3.34 114.93 116.44 1s6d h MET 20 Ca 0.01 0.00 -0.44 0.00 -0.00 0.00 0.00 59.70 59.27 1s6d h MET 20 Cb 0.53 0.00 -0.17 0.00 -0.00 0.00 0.00 31.60 31.95 1s6d h MET 20 CO 0.65 0.73 0.48 1.28 -0.00 0.00 0.00 176.91 180.05 1s6d n LEU 21 N -4.54 6.66 -0.09 -0.10 7.99 -1.26 -3.89 117.00 121.77 1s6d n LEU 21 Ca -0.19 -3.71 -0.12 0.00 -0.01 0.00 0.00 56.01 51.98 1s6d n LEU 21 Cb 0.50 -1.10 -0.09 0.00 -0.11 0.00 0.00 43.42 42.61 1s6d n LEU 21 CO 0.19 1.43 -1.07 0.59 -1.51 0.00 0.00 177.39 177.02 1s6d n ASN 22 N 0.34 2.33 -0.07 -1.43 3.02 -1.25 -4.09 115.26 114.10 1s6d n ASN 22 Ca 0.41 -0.08 -0.11 0.00 -0.03 0.00 0.00 54.58 54.77 1s6d n ASN 22 Cb 0.57 -0.05 -0.09 0.00 -0.61 0.00 0.00 39.78 39.60 1s6d n ASN 22 CO 0.00 0.00 0.00 0.45 -2.62 0.00 0.00 177.26 175.09 1s6d h HIS 23 N 0.00 0.00 -0.12 3.10 3.86 -1.81 -3.09 115.15 117.09 1s6d h HIS 23 Ca -0.41 0.00 0.03 0.00 -1.16 0.00 0.00 60.37 58.84 1s6d h HIS 23 Cb 1.69 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 30.16 1s6d h HIS 23 CO 0.02 0.76 0.28 0.00 0.86 0.00 0.00 177.93 179.84 1s6d h GLY 25 N 0.00 -0.21 0.19 0.00 0.00 -1.70 -3.25 103.07 98.10 1s6d h GLY 25 Ca 0.06 0.08 0.20 0.00 0.00 0.00 0.00 47.33 47.66 1s6d h GLY 25 CO -0.00 -0.08 0.61 -0.33 0.00 0.00 0.00 176.54 176.75 1s6d h MET 26 N -0.45 0.61 -0.84 4.80 2.86 -1.14 0.46 114.93 121.24 1s6d h MET 26 Ca -0.02 -0.04 0.08 0.00 -2.06 0.00 0.00 59.70 57.66 1s6d h MET 26 Cb 0.35 -0.14 -0.06 0.00 0.06 0.00 0.00 31.60 31.82 1s6d h MET 26 CO 0.03 0.41 0.55 -0.92 1.06 0.00 0.00 176.91 178.04 1s6d h TYR 27 N 0.63 0.91 0.00 -0.22 3.20 -1.58 -0.04 116.97 119.86 1s6d h TYR 27 Ca 0.54 0.02 -0.18 0.00 3.14 0.00 0.00 58.73 62.25 1s6d h TYR 27 Cb 1.01 -0.30 -0.03 0.00 1.54 0.00 0.00 36.73 38.95 1s6d h TYR 27 CO -0.00 0.45 -1.42 -0.07 -1.64 0.00 0.00 178.16 175.48 1s6d h LEU 28 N 0.87 0.00 -0.18 2.82 3.38 -0.81 -3.30 115.31 118.10 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 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1s6d h LEU 28 CO -0.14 0.63 0.00 0.80 0.09 0.00 0.00 178.44 179.82 1s6d n MET 29 N -2.92 1.12 0.18 1.13 1.56 0.13 -3.69 117.12 114.63 1s6d n MET 29 Ca -0.10 -0.18 0.07 0.00 -0.27 0.00 0.00 57.70 57.21 1s6d n MET 29 Cb 0.86 -1.38 0.11 0.00 2.15 0.00 0.00 33.22 34.97 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 0.39 0.00 0.00 2.12 1.63 -1.10 -3.18 116.57 116.43 1s6d h LYS 30 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1s6d h LYS 30 Cb 0.08 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.71 1s6d h LYS 30 CO 0.00 0.30 -1.22 -1.71 -3.45 0.00 0.00 179.45 173.36 1s6d n ASN 31 N -3.19 0.85 0.25 4.20 2.85 -1.24 -4.36 115.26 114.62 1s6d n ASN 31 Ca 0.03 -0.54 0.15 0.00 -0.11 0.00 0.00 54.58 54.11 1s6d n ASN 31 Cb 0.64 1.33 0.50 0.00 1.24 0.00 0.00 39.78 43.49 1s6d n ASN 31 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 1s6d h LEU 32 N 0.00 0.00 -2.82 1.20 3.38 -1.65 -2.98 115.31 112.44 1s6d h LEU 32 Ca 0.00 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.77 1s6d h LEU 32 Cb 0.58 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.22 1s6d h LEU 32 CO 0.00 0.00 0.25 0.61 0.09 0.00 0.00 178.44 179.39 1s6d n GLY 33 N 0.42 3.03 3.13 0.83 0.00 -1.22 -4.82 105.19 106.55 1s6d n GLY 33 Ca 0.02 -0.46 -0.35 0.00 0.00 0.00 0.00 46.02 45.23 1s6d n GLY 33 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1s6d s GLU 34 N -1.22 2.09 -0.04 1.61 2.56 -1.13 -4.84 118.70 117.73 1s6d s GLU 34 Ca 0.21 -1.62 0.01 0.00 0.00 0.00 0.00 54.97 53.58 1s6d s GLU 34 Cb 0.18 -3.38 0.05 0.00 2.00 0.00 0.00 34.13 32.98 1s6d s GLU 34 CO 0.03 -0.88 0.59 -2.13 -0.56 0.00 0.00 175.26 172.32 1s6d n ARG 35 N 4.56 0.16 -1.05 4.30 0.00 -1.26 -5.13 116.66 118.23 1s6d n ARG 35 Ca -0.06 -0.49 -0.00 0.00 -0.00 0.00 0.00 57.85 57.30 1s6d n ARG 35 Cb 0.42 0.43 0.00 0.00 0.00 0.00 0.00 32.46 33.31 1s6d n ARG 35 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1s6d n SER 36 N -0.18 -0.02 -3.97 6.15 2.88 -1.26 -5.07 113.62 112.14 1s6d n SER 36 Ca -0.12 -1.01 -0.43 0.00 -1.33 0.00 0.00 58.87 55.98 1s6d n SER 36 Cb 0.51 0.04 0.01 0.00 -0.75 0.00 0.00 64.21 64.01 1s6d n SER 36 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1s6d n GLN 37 N -0.00 4.02 -4.26 -1.46 6.02 -1.26 -4.96 117.38 115.48 1s6d n GLN 37 Ca -0.00 -4.07 -0.17 0.00 -0.01 0.00 0.00 57.00 52.74 1s6d n GLN 37 Cb 0.01 -2.72 -0.09 0.00 1.02 0.00 0.00 30.24 28.46 1s6d n GLN 37 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 1s6d s VAL 38 N -1.16 0.00 0.13 5.09 -7.23 -1.26 -5.18 120.40 110.79 1s6d s VAL 38 Ca 0.35 -2.00 0.10 0.00 -1.81 0.00 0.00 61.98 58.63 1s6d s VAL 38 Cb 0.06 -2.50 -0.04 0.00 0.56 0.00 0.00 36.38 34.46 1s6d s VAL 38 CO 0.05 0.00 -0.24 -0.55 -0.31 0.00 0.00 175.10 174.05 1s6d s SER 39 N -3.31 3.48 -1.08 4.85 0.15 -1.26 -5.06 113.70 111.46 1s6d s SER 39 Ca 0.40 -0.71 -0.23 0.00 0.70 0.00 0.00 55.95 56.11 1s6d s SER 39 Cb 0.04 -0.31 -0.04 0.00 -1.71 0.00 0.00 66.02 64.00 1s6d s SER 39 CO 0.23 0.17 1.87 -2.16 1.20 0.00 0.00 173.24 174.55 1s6d s PRO 40 N -2.14 2.81 -0.46 5.44 0.04 -1.26 -4.74 135.00 134.68 1s6d s PRO 40 Ca 0.16 -0.95 0.05 0.00 0.04 0.00 0.00 61.00 60.30 1s6d s PRO 40 Cb -0.10 -5.23 0.19 0.00 0.04 0.00 0.00 34.50 29.40 1s6d s PRO 40 CO 0.07 -3.38 0.75 0.50 0.04 0.00 0.00 177.00 174.98 1s6d s ARG 41 N 6.24 0.88 0.04 4.56 6.06 -1.26 -5.16 118.95 130.31 1s6d s ARG 41 Ca 0.65 -0.69 -0.01 0.00 -2.50 0.00 0.00 55.73 53.18 1s6d s ARG 41 Cb -0.02 0.00 -0.03 0.00 0.06 0.00 0.00 34.95 34.96 1s6d s ARG 41 CO 0.05 -1.14 -0.03 -1.64 -2.50 0.00 0.00 175.30 170.05 1s6d s MET 42 N 1.24 0.53 0.45 5.12 -1.94 -1.26 -5.13 119.30 118.30 1s6d s MET 42 Ca 0.24 -1.04 -0.23 0.00 -1.71 0.00 0.00 55.69 52.94 1s6d s MET 42 Cb 0.00 0.18 -0.10 0.00 2.01 0.00 0.00 34.83 36.93 1s6d s MET 42 CO -0.07 -0.09 1.02 -2.13 -0.01 0.00 0.00 175.02 173.73 1s6d n ARG 43 N 0.53 1.32 -3.60 2.03 3.00 -1.26 -5.01 116.66 113.67 1s6d n ARG 43 Ca -0.17 0.48 -0.06 0.00 -0.00 0.00 0.00 57.85 58.10 1s6d n ARG 43 Cb 0.59 -2.08 -0.04 0.00 0.00 0.00 0.00 32.46 30.93 1s6d n ARG 43 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.63 175.80 1s6d s GLU 44 N -2.14 0.36 0.19 -0.14 -1.05 -1.26 -5.18 118.70 109.48 1s6d s GLU 44 Ca 0.65 0.01 -0.03 0.00 -0.15 0.00 0.00 54.97 55.45 1s6d s GLU 44 Cb -0.53 0.17 0.05 0.00 -0.44 0.00 0.00 34.13 33.38 1s6d s GLU 44 CO 0.55 -0.13 0.17 0.39 0.95 0.00 0.00 175.26 177.19 1s6d n GLU 45 N 0.39 -1.41 -3.91 -4.83 1.02 -1.26 -5.05 120.64 105.60 1s6d n GLU 45 Ca -0.04 -0.27 -0.35 0.00 -0.02 0.00 0.00 57.16 56.48 1s6d n GLU 45 Cb 0.59 -0.26 -0.14 0.00 -0.02 0.00 0.00 31.44 31.61 1s6d n GLU 45 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1s6d s ASP 46 N -1.98 4.90 0.37 1.62 2.15 -1.26 -5.09 116.67 117.37 1s6d s ASP 46 Ca 0.11 -1.43 0.08 0.00 0.43 0.00 0.00 52.55 51.74 1s6d s ASP 46 Cb -0.01 -1.71 -0.04 0.00 -0.30 0.00 0.00 42.92 40.86 1s6d s ASP 46 CO 0.08 -0.30 0.20 -1.00 -0.17 0.00 0.00 175.17 173.99 1s6d s HIS 47 N 1.21 2.70 0.00 -5.34 3.76 -1.26 -4.91 115.29 111.45 1s6d s HIS 47 Ca -0.03 -0.44 0.00 0.00 -0.15 0.00 0.00 55.06 54.44 1s6d s HIS 47 Cb -0.20 -1.81 0.00 0.00 1.11 0.00 0.00 32.58 31.67 1s6d s HIS 47 CO -0.02 0.22 0.00 1.63 -0.85 0.00 0.00 174.74 175.71 1s6d n LYS 48 N -1.25 0.00 0.00 1.40 5.02 -1.26 -4.93 118.16 117.13 1s6d n LYS 48 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 1s6d n LYS 48 Cb 0.62 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.63 1s6d n LYS 48 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1s6d n GLN 49 N 0.00 0.23 0.21 1.97 6.02 -1.26 -4.69 117.38 119.86 1s6d n GLN 49 Ca 0.00 -0.64 0.15 0.00 -0.01 0.00 0.00 57.00 56.50 1s6d n GLN 49 Cb 0.00 -0.85 0.71 0.00 1.02 0.00 0.00 30.24 31.11 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 -1.27 115.31 116.58 1s6d h LEU 50 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1s6d h LEU 50 Cb 0.31 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 1s6d h LEU 50 CO 0.00 0.00 -0.09 0.00 0.09 0.00 0.00 178.44 178.44 1s6d n MET 53 N -2.69 0.00 0.24 0.00 0.00 -0.55 -3.34 117.12 110.78 1s6d n MET 53 Ca -0.02 0.14 0.16 0.00 0.00 0.00 0.00 57.70 57.98 1s6d n MET 53 Cb 0.21 -0.91 0.86 0.00 0.00 0.00 0.00 33.22 33.38 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 -0.90 2.12 1.08 -1.59 0.14 115.11 115.95 1s6d h GLN 54 Ca 0.00 0.00 0.09 0.00 -1.45 0.00 0.00 58.65 57.29 1s6d h GLN 54 Cb 0.00 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 27.37 1s6d h GLN 54 CO 0.00 0.00 0.58 -0.07 -0.95 0.00 0.00 178.83 178.39 1s6d h LEU 55 N 0.00 0.83 -0.59 1.46 3.38 -1.30 0.08 115.31 119.18 1s6d h LEU 55 Ca 0.06 0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.96 1s6d h LEU 55 Cb 0.31 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1s6d h LEU 55 CO -0.00 0.50 -0.40 0.50 0.09 0.00 0.00 178.44 179.13 1s6d h LYS 56 N 0.93 0.00 0.00 1.13 3.64 -0.73 -3.09 116.57 118.44 1s6d h LYS 56 Ca 0.41 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.69 1s6d h LYS 56 Cb 0.36 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 1s6d h LYS 56 CO -0.17 0.40 -0.48 -0.91 -2.27 0.00 0.00 179.45 176.02 1s6d h ASN 57 N 0.00 0.00 -2.54 4.20 4.21 -0.90 -3.45 115.58 117.10 1s6d h ASN 57 Ca -0.00 0.00 -0.24 0.00 1.21 0.00 0.00 56.30 57.27 1s6d h ASN 57 Cb 1.07 0.00 0.12 0.00 -1.12 0.00 0.00 38.32 38.40 1s6d h ASN 57 CO 0.05 0.48 0.03 0.18 -1.29 0.00 0.00 177.43 176.89 1s6d n LEU 58 N -3.68 0.00 -4.70 1.61 4.77 -0.14 -4.99 117.00 109.88 1s6d n LEU 58 Ca -0.01 -0.67 -0.41 0.00 -0.03 0.00 0.00 56.01 54.89 1s6d n LEU 58 Cb 0.55 -0.61 -0.04 0.00 -2.33 0.00 0.00 43.42 40.99 1s6d n LEU 58 CO 0.39 -1.85 0.62 -1.81 -1.33 0.00 0.00 177.39 173.42 1s6d s ASP 59 N -3.18 7.14 0.65 -1.43 1.01 -1.26 -4.92 116.67 114.67 1s6d s ASP 59 Ca 0.43 1.39 0.38 0.00 0.71 0.00 0.00 52.55 55.46 1s6d s ASP 59 Cb -0.05 -2.50 2.07 0.00 1.01 0.00 0.00 42.92 43.46 1s6d s ASP 59 CO 0.33 -0.31 2.16 -0.08 0.21 0.00 0.00 175.17 177.49 1s6d h GLU 60 N 7.01 0.00 -0.12 8.23 4.81 -1.90 0.36 114.58 132.97 1s6d h GLU 60 Ca -0.35 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.88 1s6d h GLU 60 Cb 1.17 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.55 1s6d h GLU 60 CO 0.80 0.00 0.00 1.63 -0.73 0.00 0.00 179.01 180.71 1s6d n LYS 61 N -2.95 2.12 -0.03 1.92 5.02 -1.26 -3.82 118.16 119.15 1s6d n LYS 61 Ca -0.03 -1.65 0.05 0.00 -2.02 0.00 0.00 58.31 54.66 1s6d n LYS 61 Cb 0.18 -1.47 0.05 0.00 -0.02 0.00 0.00 35.03 33.78 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 0.49 3.31 0.00 0.00 2.81 -0.93 -2.14 117.12 120.65 1s6d n MET 63 Ca 0.06 -3.55 0.00 0.00 -1.81 0.00 0.00 57.70 52.40 1s6d n MET 63 Cb 0.26 -3.19 0.00 0.00 -0.71 0.00 0.00 33.22 29.58 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 0.37 0.28 0.00 0.13 -1.89 -3.21 132.00 127.68 1s6d h PRO 65 Ca 0.00 -0.26 -0.01 0.00 -0.87 0.00 0.00 66.00 64.86 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 0.88 -0.13 0.00 -0.23 0.00 0.00 178.00 178.51 1s6d h ALA 66 N 1.06 -0.38 -0.81 -0.56 0.00 -1.74 -3.27 119.26 113.57 1s6d h ALA 66 Ca -0.01 -0.19 0.21 0.00 0.00 0.00 0.00 54.91 54.92 1s6d h ALA 66 Cb 1.16 0.15 -0.15 0.00 0.00 0.00 0.00 17.79 18.95 1s6d h ALA 66 CO 0.11 -0.53 -0.04 -0.89 0.00 0.00 0.00 179.25 177.89 1s6d n ILE 67 N -5.10 -0.34 -0.11 0.00 5.41 -1.21 0.41 119.36 118.41 1s6d n ILE 67 Ca -0.09 1.80 -0.09 0.00 1.00 0.00 0.00 62.75 65.37 1s6d n ILE 67 Cb 0.26 -2.59 -0.06 0.00 -0.71 0.00 0.00 39.64 36.53 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 -0.22 -0.01 0.38 4.05 -1.60 -1.64 114.93 115.89 1s6d h MET 68 Ca 0.46 0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.90 1s6d h MET 68 Cb 0.90 0.05 -0.00 0.00 -0.80 0.00 0.00 31.60 31.75 1s6d h MET 68 CO -0.78 -0.15 0.01 0.52 0.23 0.00 0.00 176.91 176.74 1s6d h MET 69 N -0.23 0.00 -0.91 0.39 2.86 -0.15 -1.22 114.93 115.67 1s6d h MET 69 Ca 0.05 0.00 0.06 0.00 -2.06 0.00 0.00 59.70 57.75 1s6d h MET 69 Cb 0.37 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 31.97 1s6d h MET 69 CO -0.40 0.00 0.59 0.00 1.06 0.00 0.00 176.91 178.16 1s6d h MET 70 N 0.00 1.02 -0.54 1.72 3.00 -0.08 -0.53 114.93 119.52 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 0.02 -0.23 0.00 0.00 0.00 0.00 0.00 31.60 31.39 1s6d h MET 70 CO -0.00 0.68 0.00 1.28 0.00 0.00 0.00 176.91 178.87 1s6d n LEU 71 N -4.48 2.89 -0.30 -0.10 4.77 -0.47 -3.42 117.00 115.89 1s6d n LEU 71 Ca 0.13 -1.45 0.06 0.00 -0.03 0.00 0.00 56.01 54.72 1s6d n LEU 71 Cb 0.18 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 1s6d n LEU 71 CO 0.33 0.59 0.25 0.59 -1.33 0.00 0.00 177.39 177.82 1s6d n ASN 72 N 0.73 1.44 -4.09 -1.43 4.13 -0.24 -4.48 115.26 111.33 1s6d n ASN 72 Ca 0.16 -1.22 -0.29 0.00 1.68 0.00 0.00 54.58 54.91 1s6d n ASN 72 Cb 0.52 0.42 0.24 0.00 -1.54 0.00 0.00 39.78 39.42 1s6d n ASN 72 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1s6d s GLU 73 N -1.51 -1.23 0.00 3.52 2.02 -1.04 -4.85 118.70 115.61 1s6d s GLU 73 Ca 0.11 0.31 0.00 0.00 0.02 0.00 0.00 54.97 55.40 1s6d s GLU 73 Cb 0.10 -1.56 0.00 0.00 0.10 0.00 0.00 34.13 32.77 1s6d s GLU 73 CO 0.29 -3.79 0.73 -0.35 0.02 0.00 0.00 175.26 172.16 1s6d n PRO 74 N -4.89 0.49 -0.45 0.39 -0.04 -1.26 -2.50 135.00 126.74 1s6d n PRO 74 Ca 0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 1s6d n PRO 74 Cb 0.58 -1.25 0.00 0.00 -0.04 0.00 0.00 33.50 32.79 1s6d n PRO 74 CO 0.00 0.00 0.00 -0.12 -0.04 0.00 0.00 175.50 175.34 1s6d n MET 75 N 1.23 0.00 -3.04 0.54 1.56 -1.26 -5.04 117.12 111.11 1s6d n MET 75 Ca 0.00 -0.27 -0.07 0.00 -0.27 0.00 0.00 57.70 57.09 1s6d n MET 75 Cb 0.25 -0.14 -0.02 0.00 2.15 0.00 0.00 33.22 35.46 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 -1.19 0.00 1.12 0.52 -1.04 -4.91 118.94 113.43 1s6d s TRP 76 Ca 0.00 -0.55 0.00 0.00 0.02 0.00 0.00 56.10 55.57 1s6d s TRP 76 Cb 0.00 0.09 0.00 0.00 -1.15 0.00 0.00 33.47 32.41 1s6d s TRP 76 CO 0.00 -1.16 0.00 -0.89 0.02 0.00 0.00 176.95 174.92 1s6d n ILE 77 N 3.53 0.00 1.15 2.03 2.08 -1.26 -4.22 119.36 122.67 1s6d n ILE 77 Ca 0.16 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.47 1s6d n ILE 77 Cb 0.54 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.43 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 0.92 -0.06 0.38 5.12 -1.26 -2.90 116.66 118.86 1s6d n ARG 78 Ca 0.00 0.00 -0.08 0.00 -1.93 0.00 0.00 57.85 55.84 1s6d n ARG 78 Cb 0.00 -1.35 -0.07 0.00 -1.16 0.00 0.00 32.46 29.89 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 -0.09 0.95 0.22 5.56 0.00 -1.26 -4.45 117.12 118.05 1s6d n MET 79 Ca 0.00 0.05 0.12 0.00 0.00 0.00 0.00 57.70 57.87 1s6d n MET 79 Cb 0.17 -1.26 0.64 0.00 0.00 0.00 0.00 33.22 32.77 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 -1.39 3.17 0.11 -1.81 -2.72 114.38 111.74 1s6d h ARG 80 Ca -0.28 0.00 0.46 0.00 0.10 0.00 0.00 59.98 60.26 1s6d h ARG 80 Cb 1.50 0.00 -0.12 0.00 1.11 0.00 0.00 29.97 32.46 1s6d h ARG 80 CO -0.03 0.00 0.91 -3.47 0.10 0.00 0.00 179.97 177.49 1s6d n ASP 81 N -2.41 0.17 -0.10 0.08 2.03 -1.26 0.65 116.55 115.70 1s6d n ASP 81 Ca -0.02 1.25 -0.20 0.00 0.52 0.00 0.00 54.79 56.34 1s6d n ASP 81 Cb 0.20 -0.61 -0.10 0.00 -0.72 0.00 0.00 41.12 39.88 1s6d n ASP 81 CO 0.00 0.00 0.00 1.67 -1.92 0.00 0.00 177.20 176.95 1s6d n GLN 82 N -4.47 0.55 0.21 -0.67 -0.06 -1.03 -3.91 117.38 108.01 1s6d n GLN 82 Ca 0.39 0.56 0.14 0.00 -2.00 0.00 0.00 57.00 56.09 1s6d n GLN 82 Cb 1.54 -1.73 0.76 0.00 -4.06 0.00 0.00 30.24 26.76 1s6d n GLN 82 CO 0.00 0.00 0.00 -0.39 -0.20 0.00 0.00 177.06 176.47 1s6d h VAL 83 N -1.00 0.00 0.34 1.69 -1.51 -1.25 -2.22 116.25 112.30 1s6d h VAL 83 Ca -0.33 -0.03 -0.02 0.00 -1.23 0.00 0.00 66.70 65.10 1s6d h VAL 83 Cb 1.24 0.67 0.00 0.00 -2.13 0.00 0.00 31.29 31.07 1s6d h VAL 83 CO -0.20 0.00 -0.16 0.24 -1.23 0.00 0.00 177.57 176.22 1s6d h MET 84 N 0.00 -0.44 0.00 5.19 2.86 0.07 0.55 114.93 123.16 1s6d h MET 84 Ca 0.00 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 1s6d h MET 84 Cb 0.03 0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.79 1s6d h MET 84 CO 0.00 -0.20 0.00 0.43 1.06 0.00 0.00 176.91 178.20 1s6d n SER 85 N -5.08 0.00 -0.09 1.22 7.64 -0.94 -2.25 113.62 114.13 1s6d n SER 85 Ca -0.07 -0.37 -0.14 0.00 1.01 0.00 0.00 58.87 59.30 1s6d n SER 85 Cb 0.23 -0.03 -0.07 0.00 -1.01 0.00 0.00 64.21 63.32 1s6d n SER 85 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 1s6d n MET 86 N -1.03 0.41 -0.21 1.43 2.81 -0.88 -4.47 117.12 115.18 1s6d n MET 86 Ca 0.10 0.12 -0.01 0.00 -1.81 0.00 0.00 57.70 56.09 1s6d n MET 86 Cb 0.05 -1.27 0.06 0.00 -0.71 0.00 0.00 33.22 31.35 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 -3.24 2.93 -0.02 3.04 0.00 0.19 -2.74 120.51 120.67 1s6d n ALA 87 Ca -0.31 -0.47 0.05 0.00 0.00 0.00 0.00 53.44 52.71 1s6d n ALA 87 Cb 0.80 -1.05 -0.13 0.00 0.00 0.00 0.00 19.45 19.06 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 0.15 0.00 -0.02 0.00 1.44 -0.95 -4.38 115.22 111.45 1s6d n HIS 88 Ca 0.08 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.79 1s6d n HIS 88 Cb 0.57 -0.47 -0.06 0.00 0.12 0.00 0.00 29.99 30.15 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 -2.19 3.03 -0.03 4.39 5.03 -1.20 -4.11 115.26 120.17 1s6d n ASN 89 Ca -0.08 0.00 -0.11 0.00 0.87 0.00 0.00 54.58 55.26 1s6d n ASN 89 Cb 0.56 1.03 -0.05 0.00 -1.02 0.00 0.00 39.78 40.30 1s6d n ASN 89 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.26 175.36 1s6d h LEU 90 N 0.00 0.20 -0.48 3.41 3.38 -1.77 0.33 115.31 120.39 1s6d h LEU 90 Ca -0.11 -0.16 -0.16 0.00 0.09 0.00 0.00 57.88 57.53 1s6d h LEU 90 Cb 0.97 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.65 1s6d h LEU 90 CO 0.01 0.30 -0.76 1.55 0.09 0.00 0.00 178.44 179.63 1s6d h PRO 91 N 0.08 0.08 -0.24 1.13 0.13 -1.83 -3.07 132.00 128.28 1s6d h PRO 91 Ca 0.05 -0.08 -0.04 0.00 -0.87 0.00 0.00 66.00 65.06 1s6d h PRO 91 Cb 0.16 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.30 1s6d h PRO 91 CO -0.00 0.80 0.00 0.82 -0.23 0.00 0.00 178.00 179.38 1s6d h ILE 92 N 0.05 1.25 0.00 -3.56 2.04 -1.66 0.36 117.51 115.99 1s6d h ILE 92 Ca -0.02 -0.90 -0.00 0.00 1.00 0.00 0.00 64.86 64.95 1s6d h ILE 92 Cb 1.33 1.37 -0.00 0.00 -0.74 0.00 0.00 36.82 38.78 1s6d h ILE 92 CO 0.11 0.28 -0.01 -0.33 0.00 0.00 0.00 178.15 178.20 1s6d h GLU 93 N 0.20 0.00 -0.00 2.37 5.08 -0.39 0.14 114.58 121.98 1s6d h GLU 93 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1s6d h GLU 93 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1s6d h GLU 93 CO 0.01 0.01 -0.57 0.00 -1.00 0.00 0.00 179.01 177.46 1s6d n ASN 95 N -1.34 -1.92 -0.04 0.00 4.05 0.48 -4.97 115.26 111.52 1s6d n ASN 95 Ca 0.06 0.00 -0.01 0.00 0.45 0.00 0.00 54.58 55.08 1s6d n ASN 95 Cb 0.34 -0.54 -0.01 0.00 1.23 0.00 0.00 39.78 40.80 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 -0.03 -3.09 1.20 3.38 -0.49 -3.40 115.31 112.89 1s6d h LEU 96 Ca -0.00 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1s6d h LEU 96 Cb 0.57 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 1s6d h LEU 96 CO 0.01 0.48 -0.01 1.15 0.09 0.00 0.00 178.44 180.16 1s6d n MET 97 N -4.80 1.83 -0.05 1.13 0.00 -1.16 -4.51 117.12 109.56 1s6d n MET 97 Ca -0.01 -2.68 -0.01 0.00 0.00 0.00 0.00 57.70 55.00 1s6d n MET 97 Cb 0.03 -1.62 -0.01 0.00 0.00 0.00 0.00 33.22 31.62 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 -1.13 -0.13 -2.70 3.17 2.88 -1.26 -4.19 113.62 110.26 1s6d n SER 98 Ca 0.18 0.87 -0.07 0.00 -1.33 0.00 0.00 58.87 58.52 1s6d n SER 98 Cb 0.73 -0.36 0.11 0.00 -0.75 0.00 0.00 64.21 63.94 1s6d n SER 98 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 1s6d n GLN 99 N -3.11 1.18 0.01 -1.46 7.27 -1.26 -4.97 117.38 115.02 1s6d n GLN 99 Ca 0.00 -1.90 -0.00 0.00 0.07 0.00 0.00 57.00 55.17 1s6d n GLN 99 Cb 0.03 -0.20 -0.00 0.00 2.41 0.00 0.00 30.24 32.48 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 2.15 -0.02 -7.52 3.69 0.13 -1.89 -3.46 132.00 125.08 1s6d h PRO 100 Ca -0.25 0.00 -0.43 0.00 -0.87 0.00 0.00 66.00 64.45 1s6d h PRO 100 Cb 1.27 0.00 0.17 0.00 0.13 0.00 0.00 31.00 32.58 1s6d h PRO 100 CO -0.02 -0.01 0.24 0.00 -0.23 0.00 0.00 178.00 177.98 1s6d n GLN 102 N -4.29 1.09 0.00 0.00 10.64 -1.26 -5.12 117.38 118.44 1s6d n GLN 102 Ca 0.12 -1.94 0.00 0.00 -1.83 0.00 0.00 57.00 53.35 1s6d n GLN 102 Cb 0.59 0.26 0.00 0.00 -0.86 0.00 0.00 30.24 30.24 1s6d n GLN 102 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23