#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p6t s LEU 2 N 0.00 -0.59 0.00 -0.89 0.20 -1.26 -5.15 118.68 111.00 1p6t s LEU 2 Ca 0.00 0.87 0.00 0.00 0.69 0.00 0.00 54.13 55.69 1p6t s LEU 2 Cb 0.00 1.76 0.00 0.00 -0.43 0.00 0.00 46.19 47.52 1p6t s LEU 2 CO 0.00 -0.13 0.00 -0.24 -0.29 0.00 0.00 176.35 175.69 1p6t n SER 3 N 4.37 -7.60 -1.33 3.68 2.88 -1.26 -4.18 113.62 110.18 1p6t n SER 3 Ca -0.14 0.93 -0.06 0.00 -1.33 0.00 0.00 58.87 58.27 1p6t n SER 3 Cb 0.55 -2.62 0.04 0.00 -0.75 0.00 0.00 64.21 61.43 1p6t n SER 3 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1p6t n GLU 4 N -3.36 1.30 -0.84 -1.46 4.07 -1.26 -4.93 120.64 114.17 1p6t n GLU 4 Ca 0.01 -0.72 -0.19 0.00 -0.06 0.00 0.00 57.16 56.20 1p6t n GLU 4 Cb 0.40 -1.28 0.15 0.00 -0.06 0.00 0.00 31.44 30.64 1p6t n GLU 4 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11 1p6t n GLN 5 N 0.18 -1.80 -4.00 5.31 6.02 -1.26 -4.36 117.38 117.47 1p6t n GLN 5 Ca 0.14 -1.16 -0.08 0.00 -0.01 0.00 0.00 57.00 55.90 1p6t n GLN 5 Cb 0.76 -0.96 -0.09 0.00 1.02 0.00 0.00 30.24 30.97 1p6t n GLN 5 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 1p6t s LYS 6 N -4.64 0.69 -0.32 -1.09 -2.85 -0.95 -4.88 119.74 105.71 1p6t s LYS 6 Ca 0.45 -1.11 0.02 0.00 -1.00 0.00 0.00 55.97 54.34 1p6t s LYS 6 Cb -0.03 0.26 0.10 0.00 -2.06 0.00 0.00 37.83 36.09 1p6t s LYS 6 CO 0.34 -0.17 0.05 -1.21 0.10 0.00 0.00 175.35 174.46 1p6t s GLU 7 N -3.84 1.25 -0.40 1.78 8.01 -1.26 -2.60 118.70 121.64 1p6t s GLU 7 Ca 0.06 -1.54 -0.17 0.00 0.01 0.00 0.00 54.97 53.33 1p6t s GLU 7 Cb 0.06 -2.76 0.01 0.00 -4.31 0.00 0.00 34.13 27.14 1p6t s GLU 7 CO -0.10 -0.92 0.42 -1.50 0.01 0.00 0.00 175.26 173.17 1p6t s ILE 8 N 1.17 5.10 -0.28 -1.63 1.10 0.05 -4.93 121.20 121.79 1p6t s ILE 8 Ca 0.09 -0.26 -0.03 0.00 -0.51 0.00 0.00 60.65 59.94 1p6t s ILE 8 Cb -0.18 -3.99 0.03 0.00 0.15 0.00 0.00 42.46 38.46 1p6t s ILE 8 CO -0.13 -0.35 -0.00 0.00 -2.11 0.00 0.00 174.94 172.34 1p6t s ALA 9 N 2.11 2.83 0.33 1.50 0.00 -1.26 -0.93 121.76 126.34 1p6t s ALA 9 Ca 0.12 -1.56 0.05 0.00 0.00 0.00 0.00 51.96 50.57 1p6t s ALA 9 Cb -0.17 -1.89 -0.03 0.00 0.00 0.00 0.00 23.12 21.03 1p6t s ALA 9 CO 0.13 -1.00 0.22 -1.64 0.00 0.00 0.00 175.76 173.47 1p6t s MET 10 N 1.35 1.71 -0.11 0.00 -1.94 -0.01 -3.96 119.30 116.33 1p6t s MET 10 Ca -0.01 -1.99 -0.06 0.00 -1.71 0.00 0.00 55.69 51.92 1p6t s MET 10 Cb -0.18 0.07 -0.04 0.00 2.01 0.00 0.00 34.83 36.70 1p6t s MET 10 CO -0.02 -0.56 0.09 -0.65 -0.01 0.00 0.00 175.02 173.88 1p6t s GLN 11 N -3.63 3.34 -0.03 2.03 -0.21 -1.26 -0.07 119.66 119.82 1p6t s GLN 11 Ca 0.36 -0.22 0.05 0.00 0.02 0.00 0.00 55.36 55.57 1p6t s GLN 11 Cb 0.03 -3.08 -0.01 0.00 1.00 0.00 0.00 33.01 30.96 1p6t s GLN 11 CO 0.22 0.73 -0.19 0.54 -2.12 0.00 0.00 175.29 174.46 1p6t s VAL 12 N -0.90 1.56 0.54 1.09 0.11 -0.14 -0.66 120.40 122.01 1p6t s VAL 12 Ca 0.14 -0.81 0.09 0.00 -2.93 0.00 0.00 61.98 58.46 1p6t s VAL 12 Cb -0.12 -1.32 0.07 0.00 -1.53 0.00 0.00 36.38 33.48 1p6t s VAL 12 CO 0.03 0.44 0.74 -0.44 -3.33 0.00 0.00 175.10 172.55 1p6t s SER 13 N -0.19 5.23 -0.12 3.54 0.01 0.38 -4.63 113.70 117.93 1p6t s SER 13 Ca 0.01 -0.72 0.00 0.00 1.31 0.00 0.00 55.95 56.55 1p6t s SER 13 Cb -0.10 0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.16 1p6t s SER 13 CO 0.01 -1.20 0.00 0.61 0.41 0.00 0.00 173.24 173.07 1p6t n GLY 14 N -2.16 0.50 3.58 3.44 0.00 -1.26 -4.07 105.19 105.22 1p6t n GLY 14 Ca 0.14 -0.35 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 1p6t n GLY 14 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1p6t s MET 15 N -1.02 2.97 0.46 1.61 1.00 -1.26 -4.76 119.30 118.31 1p6t s MET 15 Ca 0.00 -1.31 0.15 0.00 0.00 0.00 0.00 55.69 54.53 1p6t s MET 15 Cb 0.00 -5.31 1.06 0.00 0.00 0.00 0.00 34.83 30.58 1p6t s MET 15 CO 0.00 -3.35 2.02 1.15 0.00 0.00 0.00 175.02 174.84 1p6t h THR 16 N 6.15 1.09 -1.89 2.05 2.02 -1.97 -3.46 112.91 116.90 1p6t h THR 16 Ca 0.27 -0.50 0.26 0.00 0.77 0.00 0.00 66.41 67.21 1p6t h THR 16 Cb 0.93 1.27 -0.09 0.00 -1.74 0.00 0.00 68.15 68.52 1p6t h THR 16 CO 1.30 0.14 0.70 0.00 0.37 0.00 0.00 175.52 178.03 1p6t h ALA 18 N 2.00 2.60 -0.83 0.00 0.00 -1.99 0.65 119.26 121.69 1p6t h ALA 18 Ca -0.28 0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.71 1p6t h ALA 18 Cb 1.21 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 19.02 1p6t h ALA 18 CO 0.28 -1.01 0.52 0.00 0.00 0.00 0.00 179.25 179.05 1p6t h ALA 19 N 1.54 1.10 0.78 0.00 0.00 -1.98 0.15 119.26 120.85 1p6t h ALA 19 Ca 0.61 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.46 1p6t h ALA 19 Cb 1.90 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 19.43 1p6t h ALA 19 CO -0.21 0.33 -0.37 0.00 0.00 0.00 0.00 179.25 179.00 1p6t n ALA 21 N -2.65 -0.30 -0.31 0.00 0.00 -1.15 -0.86 120.51 115.25 1p6t n ALA 21 Ca -0.14 0.39 0.07 0.00 0.00 0.00 0.00 53.44 53.77 1p6t n ALA 21 Cb 0.42 0.12 0.28 0.00 0.00 0.00 0.00 19.45 20.26 1p6t n ALA 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1p6t h ALA 22 N -0.13 1.59 -0.41 0.00 0.00 -0.49 0.71 119.26 120.54 1p6t h ALA 22 Ca 0.07 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1p6t h ALA 22 Cb 0.19 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1p6t h ALA 22 CO -0.44 0.22 0.24 0.00 0.00 0.00 0.00 179.25 179.27 1p6t h ARG 23 N 0.93 0.56 0.95 0.00 2.47 0.59 0.89 114.38 120.78 1p6t h ARG 23 Ca 0.43 -0.06 -0.05 0.00 -1.26 0.00 0.00 59.98 59.05 1p6t h ARG 23 Cb 0.40 -0.11 0.01 0.00 -1.65 0.00 0.00 29.97 28.61 1p6t h ARG 23 CO -0.19 0.43 -0.48 0.82 0.56 0.00 0.00 179.97 181.11 1p6t h ILE 24 N 0.53 0.02 -0.90 2.04 2.04 0.88 0.94 117.51 123.06 1p6t h ILE 24 Ca 0.14 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.06 1p6t h ILE 24 Cb 0.02 0.02 -0.06 0.00 -0.74 0.00 0.00 36.82 36.07 1p6t h ILE 24 CO -0.03 0.00 0.59 -0.33 0.00 0.00 0.00 178.15 178.38 1p6t h GLU 25 N -1.31 1.03 -0.23 2.37 4.39 -0.83 0.27 114.58 120.26 1p6t h GLU 25 Ca -0.13 -0.06 -0.04 0.00 0.34 0.00 0.00 59.36 59.46 1p6t h GLU 25 Cb 1.01 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 29.43 1p6t h GLU 25 CO 0.20 0.68 -0.02 -0.22 -1.16 0.00 0.00 179.01 178.48 1p6t h LYS 26 N 1.06 0.43 -0.74 2.33 3.64 -0.77 0.22 116.57 122.74 1p6t h LYS 26 Ca 0.38 -0.15 0.05 0.00 -1.27 0.00 0.00 60.65 59.66 1p6t h LYS 26 Cb 0.14 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 31.89 1p6t h LYS 26 CO -0.13 0.63 0.49 0.78 -2.27 0.00 0.00 179.45 178.94 1p6t h GLY 27 N 0.18 1.01 0.85 5.01 0.00 0.69 -1.96 103.07 108.85 1p6t h GLY 27 Ca 0.06 -0.33 -0.11 0.00 0.00 0.00 0.00 47.33 46.95 1p6t h GLY 27 CO 0.02 0.27 -0.32 1.41 0.00 0.00 0.00 176.54 177.92 1p6t h LEU 28 N 0.84 0.58 -2.01 3.11 -0.00 -0.33 -3.12 115.31 114.37 1p6t h LEU 28 Ca 0.31 -0.55 0.15 0.00 -0.00 0.00 0.00 57.88 57.79 1p6t h LEU 28 Cb 0.16 -0.17 -0.02 0.00 -0.00 0.00 0.00 40.66 40.63 1p6t h LEU 28 CO -0.10 1.01 0.43 0.50 -0.00 0.00 0.00 178.44 180.28 1p6t h LYS 29 N 0.16 0.00 -0.74 1.13 1.63 0.10 0.79 116.57 119.65 1p6t h LYS 29 Ca 0.01 0.00 0.21 0.00 -0.85 0.00 0.00 60.65 60.02 1p6t h LYS 29 Cb 0.91 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.51 1p6t h LYS 29 CO 0.07 0.00 0.58 -0.09 -3.45 0.00 0.00 179.45 176.56 1p6t h ARG 30 N 0.00 0.00 -6.25 1.90 9.65 -1.31 -3.42 114.38 114.95 1p6t h ARG 30 Ca 0.25 0.00 -0.56 0.00 -1.10 0.00 0.00 59.98 58.57 1p6t h ARG 30 Cb 1.10 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 29.64 1p6t h ARG 30 CO -0.00 0.00 0.62 -1.64 2.80 0.00 0.00 179.97 181.75 1p6t s MET 31 N -4.89 4.39 -1.12 0.20 -1.94 0.27 -4.94 119.30 111.27 1p6t s MET 31 Ca -0.05 1.45 -0.23 0.00 -1.71 0.00 0.00 55.69 55.15 1p6t s MET 31 Cb 0.20 -3.56 -0.08 0.00 2.01 0.00 0.00 34.83 33.40 1p6t s MET 31 CO 0.71 -0.38 1.93 -1.25 -0.01 0.00 0.00 175.02 176.02 1p6t s PRO 32 N 2.19 2.53 0.00 2.03 0.04 -1.26 -1.88 135.00 138.65 1p6t s PRO 32 Ca 0.50 -0.98 0.00 0.00 0.04 0.00 0.00 61.00 60.56 1p6t s PRO 32 Cb -0.19 -5.21 0.00 0.00 0.04 0.00 0.00 34.50 29.14 1p6t s PRO 32 CO 0.18 -3.82 0.00 0.41 0.04 0.00 0.00 177.00 173.81 1p6t n GLY 33 N 6.05 0.53 3.67 0.56 0.00 -1.26 -4.53 105.19 110.20 1p6t n GLY 33 Ca 0.44 -0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.99 1p6t n GLY 33 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1p6t s VAL 34 N 0.00 2.99 -0.08 1.61 1.01 -0.79 -0.69 120.40 124.46 1p6t s VAL 34 Ca 0.00 0.12 -0.07 0.00 0.00 0.00 0.00 61.98 62.02 1p6t s VAL 34 Cb 0.00 -3.07 -0.02 0.00 0.00 0.00 0.00 36.38 33.28 1p6t s VAL 34 CO 0.00 -0.01 -0.14 0.41 0.00 0.00 0.00 175.10 175.36 1p6t n THR 35 N 5.37 0.66 -3.74 3.92 -1.04 0.12 -4.88 114.28 114.69 1p6t n THR 35 Ca 0.19 0.35 -0.30 0.00 -2.04 0.00 0.00 64.05 62.25 1p6t n THR 35 Cb 0.41 -1.88 -0.14 0.00 -1.82 0.00 0.00 70.33 66.89 1p6t n THR 35 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1p6t s ASP 36 N -4.77 3.96 -0.33 8.00 -1.08 -0.06 -5.01 116.67 117.38 1p6t s ASP 36 Ca -0.11 -1.92 -0.13 0.00 -0.52 0.00 0.00 52.55 49.86 1p6t s ASP 36 Cb 0.02 -0.94 -0.02 0.00 -1.46 0.00 0.00 42.92 40.51 1p6t s ASP 36 CO 0.17 -0.38 0.24 0.00 0.52 0.00 0.00 175.17 175.73 1p6t s ALA 37 N 1.25 3.51 0.09 3.66 0.00 -1.26 -0.35 121.76 128.66 1p6t s ALA 37 Ca 0.12 -1.34 0.03 0.00 0.00 0.00 0.00 51.96 50.77 1p6t s ALA 37 Cb -0.19 -2.66 -0.04 0.00 0.00 0.00 0.00 23.12 20.23 1p6t s ALA 37 CO -0.17 -0.93 -0.09 -0.80 0.00 0.00 0.00 175.76 173.77 1p6t s ASN 38 N 1.73 1.28 -0.21 0.00 0.01 -0.73 -4.89 114.94 112.13 1p6t s ASN 38 Ca 0.06 -0.82 -0.09 0.00 -0.71 0.00 0.00 52.86 51.31 1p6t s ASN 38 Cb -0.17 0.03 0.08 0.00 0.41 0.00 0.00 41.25 41.60 1p6t s ASN 38 CO 0.11 -0.30 0.47 0.54 -1.51 0.00 0.00 177.10 176.40 1p6t s VAL 39 N -2.55 -0.39 -0.94 1.60 0.11 -1.26 -0.42 120.40 116.54 1p6t s VAL 39 Ca 0.04 0.11 -0.18 0.00 -2.93 0.00 0.00 61.98 59.02 1p6t s VAL 39 Cb -0.02 -0.71 0.14 0.00 -1.53 0.00 0.00 36.38 34.26 1p6t s VAL 39 CO -0.01 0.05 1.12 0.20 -3.33 0.00 0.00 175.10 173.12 1p6t s ASN 40 N 2.11 6.67 0.54 3.54 -0.87 0.38 -4.86 114.94 122.46 1p6t s ASN 40 Ca -0.06 -2.17 0.26 0.00 -1.57 0.00 0.00 52.86 49.32 1p6t s ASN 40 Cb -0.10 -2.38 1.43 0.00 -0.02 0.00 0.00 41.25 40.18 1p6t s ASN 40 CO -0.14 -1.00 1.99 0.17 -2.57 0.00 0.00 177.10 175.55 1p6t h LEU 41 N 10.13 0.00 -1.60 0.60 -0.00 -1.92 0.18 115.31 122.71 1p6t h LEU 41 Ca 0.16 0.00 0.05 0.00 -0.00 0.00 0.00 57.88 58.10 1p6t h LEU 41 Cb 1.01 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.64 1p6t h LEU 41 CO 1.09 0.00 0.35 0.00 -0.00 0.00 0.00 178.44 179.87 1p6t h ALA 42 N 1.70 1.85 -0.08 0.17 0.00 -1.96 -0.42 119.26 120.52 1p6t h ALA 42 Ca 0.25 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1p6t h ALA 42 Cb 1.03 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1p6t h ALA 42 CO -0.00 0.07 0.00 0.25 0.00 0.00 0.00 179.25 179.57 1p6t n THR 43 N -4.47 1.90 -3.80 0.00 -2.24 -0.24 -4.99 114.28 100.43 1p6t n THR 43 Ca 0.07 -2.03 -0.28 0.00 -2.27 0.00 0.00 64.05 59.54 1p6t n THR 43 Cb 0.22 -0.16 -0.05 0.00 -2.10 0.00 0.00 70.33 68.23 1p6t n THR 43 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1p6t n GLU 44 N -1.05 -1.45 -3.48 -0.78 1.02 0.46 -4.89 120.64 110.47 1p6t n GLU 44 Ca 0.16 0.09 -0.43 0.00 -0.02 0.00 0.00 57.16 56.97 1p6t n GLU 44 Cb 0.67 -4.52 -0.09 0.00 -0.02 0.00 0.00 31.44 27.48 1p6t n GLU 44 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1p6t s THR 45 N -2.78 4.85 -0.21 2.62 2.01 -0.23 -0.97 115.64 120.94 1p6t s THR 45 Ca 0.55 -1.11 -0.21 0.00 0.31 0.00 0.00 61.69 61.23 1p6t s THR 45 Cb -0.32 -3.88 -0.02 0.00 0.01 0.00 0.00 72.50 68.29 1p6t s THR 45 CO 0.67 -0.49 0.63 0.54 -0.69 0.00 0.00 174.62 175.28 1p6t s VAL 46 N 1.57 5.01 -0.29 3.82 0.11 0.90 -0.47 120.40 131.05 1p6t s VAL 46 Ca 0.04 1.18 -0.00 0.00 -2.93 0.00 0.00 61.98 60.26 1p6t s VAL 46 Cb -0.23 -3.94 0.09 0.00 -1.53 0.00 0.00 36.38 30.77 1p6t s VAL 46 CO 0.06 0.10 0.06 0.54 -3.33 0.00 0.00 175.10 172.52 1p6t s ASN 47 N 1.25 3.99 -0.12 3.54 4.22 0.44 -0.83 114.94 127.43 1p6t s ASN 47 Ca 0.28 -1.56 -0.01 0.00 -2.14 0.00 0.00 52.86 49.44 1p6t s ASN 47 Cb -0.16 -1.00 -0.02 0.00 1.28 0.00 0.00 41.25 41.35 1p6t s ASN 47 CO 0.10 -0.37 -0.09 -0.69 -2.04 0.00 0.00 177.10 174.01 1p6t s VAL 48 N 1.50 3.46 -0.19 3.54 1.01 -0.11 -1.77 120.40 127.84 1p6t s VAL 48 Ca 0.06 -0.53 -0.01 0.00 0.00 0.00 0.00 61.98 61.50 1p6t s VAL 48 Cb -0.18 -2.46 0.01 0.00 0.00 0.00 0.00 36.38 33.75 1p6t s VAL 48 CO -0.18 0.54 -0.13 -0.63 0.00 0.00 0.00 175.10 174.70 1p6t s ILE 49 N -0.01 2.65 0.26 2.22 1.01 0.53 -0.77 121.20 127.10 1p6t s ILE 49 Ca -0.02 -0.75 -0.20 0.00 0.00 0.00 0.00 60.65 59.69 1p6t s ILE 49 Cb -0.14 -2.15 0.02 0.00 0.01 0.00 0.00 42.46 40.20 1p6t s ILE 49 CO 0.03 0.49 0.67 -0.72 0.00 0.00 0.00 174.94 175.42 1p6t s TYR 50 N 1.26 -0.13 -0.06 3.97 1.13 -1.07 -0.70 117.35 121.74 1p6t s TYR 50 Ca 0.03 -0.29 -0.22 0.00 -1.41 0.00 0.00 57.07 55.18 1p6t s TYR 50 Cb -0.14 0.62 -0.04 0.00 -1.10 0.00 0.00 41.96 41.30 1p6t s TYR 50 CO -0.07 -1.17 0.63 -0.51 -2.51 0.00 0.00 175.55 171.92 1p6t s ASP 51 N -2.92 6.91 0.00 -0.18 1.01 0.13 -2.23 116.67 119.40 1p6t s ASP 51 Ca 0.12 1.10 -0.00 0.00 0.71 0.00 0.00 52.55 54.47 1p6t s ASP 51 Cb -0.05 -2.37 -0.02 0.00 1.01 0.00 0.00 42.92 41.49 1p6t s ASP 51 CO 0.06 -0.04 1.89 -0.81 0.21 0.00 0.00 175.17 176.48 1p6t n PRO 52 N 3.53 0.95 -0.59 8.23 -0.04 -1.26 -3.67 135.00 142.15 1p6t n PRO 52 Ca -0.04 -0.06 -0.01 0.00 -0.04 0.00 0.00 63.50 63.36 1p6t n PRO 52 Cb 0.51 -1.11 -0.01 0.00 -0.04 0.00 0.00 33.50 32.86 1p6t n PRO 52 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1p6t n ALA 53 N 1.61 2.20 0.00 0.55 0.00 -1.26 -4.93 120.51 118.68 1p6t n ALA 53 Ca 0.02 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.11 1p6t n ALA 53 Cb 0.47 -0.16 0.00 0.00 0.00 0.00 0.00 19.45 19.76 1p6t n ALA 53 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1p6t n GLU 54 N 0.02 0.00 0.00 0.00 1.02 -1.24 -5.05 120.64 115.39 1p6t n GLU 54 Ca -0.03 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 1p6t n GLU 54 Cb 0.58 -0.32 0.00 0.00 -0.02 0.00 0.00 31.44 31.69 1p6t n GLU 54 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1p6t n THR 55 N -1.64 0.00 0.00 2.62 -1.04 -1.26 -4.94 114.28 108.02 1p6t n THR 55 Ca 0.00 0.09 0.00 0.00 -2.04 0.00 0.00 64.05 62.10 1p6t n THR 55 Cb 0.00 -0.93 0.00 0.00 -1.82 0.00 0.00 70.33 67.58 1p6t n THR 55 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1p6t n GLY 56 N 2.98 2.45 0.32 3.41 0.00 -1.26 -4.48 105.19 108.62 1p6t n GLY 56 Ca 0.00 -1.39 0.19 0.00 0.00 0.00 0.00 46.02 44.82 1p6t n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p6t h THR 57 N 0.00 0.28 -0.58 2.61 1.03 -1.94 0.45 112.91 114.76 1p6t h THR 57 Ca 0.00 -0.09 -0.06 0.00 -0.01 0.00 0.00 66.41 66.26 1p6t h THR 57 Cb 0.00 0.01 -0.03 0.00 -1.07 0.00 0.00 68.15 67.06 1p6t h THR 57 CO 0.00 0.05 0.12 0.00 -0.01 0.00 0.00 175.52 175.68 1p6t h ALA 58 N 1.83 1.13 -0.25 0.00 0.00 -1.90 -0.55 119.26 119.52 1p6t h ALA 58 Ca 0.65 -0.23 -0.14 0.00 0.00 0.00 0.00 54.91 55.20 1p6t h ALA 58 Cb 1.43 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1p6t h ALA 58 CO -0.65 0.58 -0.42 0.00 0.00 0.00 0.00 179.25 178.76 1p6t h ALA 59 N 1.27 0.80 0.25 0.00 0.00 -0.41 0.19 119.26 121.36 1p6t h ALA 59 Ca 0.18 -0.45 0.01 0.00 0.00 0.00 0.00 54.91 54.65 1p6t h ALA 59 Cb 0.34 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1p6t h ALA 59 CO 0.00 0.65 -0.38 0.82 0.00 0.00 0.00 179.25 180.34 1p6t h ILE 60 N 0.49 0.22 -0.66 0.00 1.08 -0.28 0.16 117.51 118.51 1p6t h ILE 60 Ca 0.04 0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 64.46 1p6t h ILE 60 Cb 0.94 0.22 -0.03 0.00 -3.07 0.00 0.00 36.82 34.88 1p6t h ILE 60 CO 0.08 0.00 0.24 0.06 -0.69 0.00 0.00 178.15 177.84 1p6t h GLN 61 N -0.70 0.99 -0.76 2.37 -0.00 -1.03 -1.14 115.11 114.84 1p6t h GLN 61 Ca -0.00 -0.18 0.06 0.00 -0.00 0.00 0.00 58.65 58.53 1p6t h GLN 61 Cb 0.67 -0.16 -0.06 0.00 -0.00 0.00 0.00 27.48 27.94 1p6t h GLN 61 CO -0.14 0.83 0.45 1.49 -0.00 0.00 0.00 178.83 181.46 1p6t h GLU 62 N 0.97 0.81 -0.27 0.06 4.81 -0.24 -0.03 114.58 120.68 1p6t h GLU 62 Ca 0.22 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.34 1p6t h GLU 62 Cb 0.23 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 1p6t h GLU 62 CO -0.01 0.53 -0.07 -0.22 -0.73 0.00 0.00 179.01 178.51 1p6t h LYS 63 N 0.83 0.53 -0.31 1.92 1.63 0.46 0.13 116.57 121.77 1p6t h LYS 63 Ca 0.34 -0.21 0.07 0.00 -0.85 0.00 0.00 60.65 60.00 1p6t h LYS 63 Cb 0.18 -0.03 -0.07 0.00 -0.60 0.00 0.00 32.23 31.71 1p6t h LYS 63 CO -0.18 0.75 -0.15 0.82 -3.45 0.00 0.00 179.45 177.24 1p6t h ILE 64 N 0.29 0.53 0.12 2.00 2.04 -0.77 0.17 117.51 121.89 1p6t h ILE 64 Ca 0.07 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.92 1p6t h ILE 64 Cb 0.55 0.53 0.00 0.00 -0.74 0.00 0.00 36.82 37.17 1p6t h ILE 64 CO 0.03 0.00 -0.06 -0.33 0.00 0.00 0.00 178.15 177.79 1p6t h GLU 65 N -0.11 -0.16 -0.71 2.37 5.08 -0.66 -2.51 114.58 117.88 1p6t h GLU 65 Ca 0.16 0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.62 1p6t h GLU 65 Cb 0.35 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.59 1p6t h GLU 65 CO -0.38 -0.11 0.47 0.87 -1.00 0.00 0.00 179.01 178.86 1p6t h LYS 66 N -0.17 0.62 0.00 2.33 1.57 -0.43 0.12 116.57 120.62 1p6t h LYS 66 Ca -0.02 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1p6t h LYS 66 Cb 0.13 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.30 1p6t h LYS 66 CO 0.03 0.41 0.00 1.28 -0.57 0.00 0.00 179.45 180.60 1p6t n LEU 67 N -4.49 0.62 -0.09 2.94 4.77 0.56 -4.86 117.00 116.45 1p6t n LEU 67 Ca 0.11 0.72 0.00 0.00 -0.03 0.00 0.00 56.01 56.81 1p6t n LEU 67 Cb 0.31 -0.72 0.00 0.00 -2.33 0.00 0.00 43.42 40.68 1p6t n LEU 67 CO 0.33 -0.78 0.00 0.61 -1.33 0.00 0.00 177.39 176.22 1p6t n GLY 68 N -0.71 0.96 3.49 -0.72 0.00 0.43 -5.06 105.19 103.57 1p6t n GLY 68 Ca 0.00 -0.11 -0.24 0.00 0.00 0.00 0.00 46.02 45.67 1p6t n GLY 68 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1p6t s TYR 69 N -2.10 1.78 0.04 1.61 2.02 -1.08 -5.01 117.35 114.62 1p6t s TYR 69 Ca 0.00 -1.27 0.00 0.00 -0.37 0.00 0.00 57.07 55.43 1p6t s TYR 69 Cb 0.00 -1.13 -0.03 0.00 -0.40 0.00 0.00 41.96 40.40 1p6t s TYR 69 CO 0.00 -0.30 -0.04 -1.01 -1.57 0.00 0.00 175.55 172.63 1p6t s HIS 70 N -3.26 0.50 -0.02 2.71 3.76 -1.26 -4.16 115.29 113.57 1p6t s HIS 70 Ca 0.26 -0.79 -0.00 0.00 -0.15 0.00 0.00 55.06 54.38 1p6t s HIS 70 Cb 0.03 -0.34 -0.04 0.00 1.11 0.00 0.00 32.58 33.35 1p6t s HIS 70 CO 0.15 -0.24 0.06 0.14 -0.85 0.00 0.00 174.74 173.99 1p6t s VAL 71 N -2.69 4.57 -1.06 -0.90 -7.23 -1.26 -0.47 120.40 111.36 1p6t s VAL 71 Ca -0.03 -0.42 -0.07 0.00 -1.81 0.00 0.00 61.98 59.65 1p6t s VAL 71 Cb -0.01 -3.06 -0.07 0.00 0.56 0.00 0.00 36.38 33.80 1p6t s VAL 71 CO -0.05 0.39 2.98 0.52 -0.31 0.00 0.00 175.10 178.63 1p6t n VAL 72 N 1.36 4.11 -4.34 1.32 0.31 0.17 -4.85 118.33 116.41 1p6t n VAL 72 Ca -0.14 -2.75 -0.19 0.00 -0.01 0.00 0.00 64.34 61.24 1p6t n VAL 72 Cb 0.53 -2.25 -0.15 0.00 -0.91 0.00 0.00 33.84 31.06 1p6t n VAL 72 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1p6t s THR 73 N 0.70 0.70 0.07 2.52 2.01 -1.26 -4.23 115.64 116.15 1p6t s THR 73 Ca 0.65 -0.33 0.04 0.00 0.31 0.00 0.00 61.69 62.36 1p6t s THR 73 Cb 0.24 -0.62 -0.03 0.00 0.01 0.00 0.00 72.50 72.10 1p6t s THR 73 CO -0.07 0.22 -0.11 -1.61 -0.69 0.00 0.00 174.62 172.35 1p6t s GLU 74 N 0.13 0.75 -1.19 4.92 0.41 -1.07 -4.91 118.70 117.74 1p6t s GLU 74 Ca -0.02 -0.97 -0.12 0.00 -0.41 0.00 0.00 54.97 53.45 1p6t s GLU 74 Cb -0.07 -0.59 0.20 0.00 -1.78 0.00 0.00 34.13 31.89 1p6t s GLU 74 CO 0.00 0.11 1.38 0.36 -0.49 0.00 0.00 175.26 176.63 1p6t n LYS 75 N 1.09 3.45 -2.76 1.61 2.85 -1.26 -2.17 118.16 120.98 1p6t n LYS 75 Ca -0.20 -4.01 -0.42 0.00 -1.05 0.00 0.00 58.31 52.63 1p6t n LYS 75 Cb 0.55 -2.89 -0.03 0.00 -0.65 0.00 0.00 35.03 32.01 1p6t n LYS 75 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1p6t s ALA 76 N 0.65 3.54 -0.47 0.58 0.00 0.29 -4.77 121.76 121.58 1p6t s ALA 76 Ca 0.39 0.18 -0.27 0.00 0.00 0.00 0.00 51.96 52.26 1p6t s ALA 76 Cb -0.04 -3.39 0.03 0.00 0.00 0.00 0.00 23.12 19.72 1p6t s ALA 76 CO -0.02 -0.77 1.04 -1.21 0.00 0.00 0.00 175.76 174.81 1p6t s GLU 77 N 2.44 3.63 -0.01 0.00 2.02 -1.26 -0.48 118.70 125.04 1p6t s GLU 77 Ca 0.43 0.36 -0.00 0.00 0.02 0.00 0.00 54.97 55.78 1p6t s GLU 77 Cb -0.17 -3.92 -0.04 0.00 0.10 0.00 0.00 34.13 30.11 1p6t s GLU 77 CO 0.12 -1.32 0.05 -0.06 0.02 0.00 0.00 175.26 174.08 1p6t s PHE 78 N 4.14 3.23 0.21 1.61 0.40 0.22 -1.47 117.98 126.31 1p6t s PHE 78 Ca 0.43 0.18 -0.01 0.00 -0.60 0.00 0.00 56.93 56.93 1p6t s PHE 78 Cb -0.08 -1.73 -0.04 0.00 0.51 0.00 0.00 43.02 41.68 1p6t s PHE 78 CO 0.29 0.53 0.40 0.34 0.70 0.00 0.00 175.22 177.48 1p6t s ASP 79 N -1.61 6.38 -0.04 1.36 -1.08 0.72 -0.44 116.67 121.97 1p6t s ASP 79 Ca 0.21 0.40 0.02 0.00 -0.52 0.00 0.00 52.55 52.66 1p6t s ASP 79 Cb -0.12 -2.01 0.01 0.00 -1.46 0.00 0.00 42.92 39.34 1p6t s ASP 79 CO 0.12 -0.05 -0.09 -0.63 0.52 0.00 0.00 175.17 175.03 1p6t s ILE 80 N -1.89 0.84 -0.22 4.11 1.01 0.12 -0.18 121.20 124.98 1p6t s ILE 80 Ca 0.38 -0.36 -0.03 0.00 0.00 0.00 0.00 60.65 60.64 1p6t s ILE 80 Cb -0.11 -0.76 0.00 0.00 0.01 0.00 0.00 42.46 41.60 1p6t s ILE 80 CO 0.29 0.27 -0.07 -1.61 0.00 0.00 0.00 174.94 173.82 1p6t s GLU 81 N 0.38 3.23 0.00 2.79 2.02 -0.30 -4.75 118.70 122.07 1p6t s GLU 81 Ca -0.07 -0.71 0.00 0.00 0.02 0.00 0.00 54.97 54.21 1p6t s GLU 81 Cb -0.11 -2.94 0.00 0.00 0.10 0.00 0.00 34.13 31.18 1p6t s GLU 81 CO 0.01 -0.23 0.00 0.41 0.02 0.00 0.00 175.26 175.47 1p6t n GLY 82 N 4.75 0.91 3.38 -1.39 0.00 -1.26 -1.23 105.19 110.36 1p6t n GLY 82 Ca -0.18 -0.07 -0.35 0.00 0.00 0.00 0.00 46.02 45.42 1p6t n GLY 82 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1p6t n MET 83 N 0.00 1.17 0.00 1.61 2.81 -1.26 -4.68 117.12 116.76 1p6t n MET 83 Ca 0.00 -1.94 0.00 0.00 -1.81 0.00 0.00 57.70 53.95 1p6t n MET 83 Cb 0.00 -3.27 0.00 0.00 -0.71 0.00 0.00 33.22 29.24 1p6t n MET 83 CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11 1p6t n THR 84 N 7.14 1.68 -0.60 2.03 5.66 -1.26 -4.81 114.28 124.13 1p6t n THR 84 Ca 0.47 0.46 0.00 0.00 -3.05 0.00 0.00 64.05 61.92 1p6t n THR 84 Cb 0.44 -1.46 0.00 0.00 -1.55 0.00 0.00 70.33 67.76 1p6t n THR 84 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1p6t n ALA 86 N -0.50 1.66 -2.02 0.00 0.00 -1.26 -5.05 120.51 113.34 1p6t n ALA 86 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 1p6t n ALA 86 Cb 0.20 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.61 1p6t n ALA 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1p6t n ALA 87 N -1.50 2.97 -0.10 0.00 0.00 -1.26 -4.98 120.51 115.64 1p6t n ALA 87 Ca 0.00 -0.50 -0.11 0.00 0.00 0.00 0.00 53.44 52.83 1p6t n ALA 87 Cb 0.00 -0.22 -0.03 0.00 0.00 0.00 0.00 19.45 19.19 1p6t n ALA 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1p6t h ALA 89 N 0.84 1.46 0.03 0.00 0.00 -1.93 0.13 119.26 119.78 1p6t h ALA 89 Ca 0.09 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1p6t h ALA 89 Cb 0.44 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1p6t h ALA 89 CO 0.02 0.37 -0.02 -0.91 0.00 0.00 0.00 179.25 178.71 1p6t h ASN 90 N 1.11 -0.04 -0.08 0.00 4.21 -1.76 0.19 115.58 119.21 1p6t h ASN 90 Ca 0.44 -0.23 0.04 0.00 1.21 0.00 0.00 56.30 57.75 1p6t h ASN 90 Cb 0.25 0.01 -0.04 0.00 -1.12 0.00 0.00 38.32 37.42 1p6t h ASN 90 CO -0.19 0.21 -0.17 0.03 -1.29 0.00 0.00 177.43 176.03 1p6t h ARG 91 N -0.29 -0.22 -0.33 0.81 3.08 -0.41 -1.53 114.38 115.48 1p6t h ARG 91 Ca -0.00 0.02 -0.10 0.00 0.07 0.00 0.00 59.98 59.96 1p6t h ARG 91 Cb 0.27 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 1p6t h ARG 91 CO 0.01 -0.15 -0.19 -0.84 -1.07 0.00 0.00 179.97 177.72 1p6t h ILE 92 N -0.23 1.26 -0.01 2.04 -0.00 -0.72 -2.29 117.51 117.55 1p6t h ILE 92 Ca 0.08 -1.23 0.03 0.00 -0.00 0.00 0.00 64.86 63.74 1p6t h ILE 92 Cb 0.34 1.22 -0.04 0.00 -0.00 0.00 0.00 36.82 38.34 1p6t h ILE 92 CO -0.22 0.40 -0.19 -0.08 -0.00 0.00 0.00 178.15 178.07 1p6t h GLU 93 N 0.55 -0.28 0.00 0.16 4.81 -0.21 0.28 114.58 119.89 1p6t h GLU 93 Ca 0.09 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.34 1p6t h GLU 93 Cb 0.64 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 30.09 1p6t h GLU 93 CO 0.05 -0.19 -0.00 0.87 -0.73 0.00 0.00 179.01 179.01 1p6t h LYS 94 N -0.29 0.00 0.00 1.92 1.79 -1.09 0.10 116.57 119.00 1p6t h LYS 94 Ca 0.06 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.53 1p6t h LYS 94 Cb 0.37 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.02 1p6t h LYS 94 CO -0.18 0.00 0.00 0.54 -1.08 0.00 0.00 179.45 178.73 1p6t n ARG 95 N -4.54 0.00 -0.33 3.15 5.12 -0.49 -4.15 116.66 115.43 1p6t n ARG 95 Ca -0.03 0.49 0.27 0.00 -1.93 0.00 0.00 57.85 56.65 1p6t n ARG 95 Cb 0.09 -1.18 0.51 0.00 -1.16 0.00 0.00 32.46 30.72 1p6t n ARG 95 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 1p6t h LEU 96 N 0.00 0.42 -0.47 0.55 3.38 -0.35 -0.40 115.31 118.42 1p6t h LEU 96 Ca 0.00 0.22 0.13 0.00 0.09 0.00 0.00 57.88 58.32 1p6t h LEU 96 Cb 0.00 0.20 -0.09 0.00 0.09 0.00 0.00 40.66 40.86 1p6t h LEU 96 CO 0.00 -0.26 0.00 -3.20 0.09 0.00 0.00 178.44 175.07 1p6t n ASN 97 N -5.14 -0.06 -2.76 -0.43 2.85 0.34 -3.31 115.26 106.74 1p6t n ASN 97 Ca 0.34 0.80 -0.09 0.00 -0.11 0.00 0.00 54.58 55.53 1p6t n ASN 97 Cb 1.09 -0.29 0.06 0.00 1.24 0.00 0.00 39.78 41.88 1p6t n ASN 97 CO 0.00 0.00 0.00 2.29 -2.11 0.00 0.00 177.26 177.44 1p6t n LYS 98 N -4.55 0.85 0.24 1.20 -0.00 -0.18 -4.47 118.16 111.25 1p6t n LYS 98 Ca 0.11 -1.83 -0.10 0.00 -0.00 0.00 0.00 58.31 56.49 1p6t n LYS 98 Cb 0.35 -1.35 -0.05 0.00 -0.00 0.00 0.00 35.03 33.99 1p6t n LYS 98 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.40 178.22 1p6t h ILE 99 N 2.96 0.00 0.00 0.58 2.04 -1.50 -3.49 117.51 118.10 1p6t h ILE 99 Ca -0.13 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.63 1p6t h ILE 99 Cb 1.05 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.13 1p6t h ILE 99 CO 0.28 0.00 0.00 -0.62 0.00 0.00 0.00 178.15 177.81 1p6t n GLU 100 N -3.99 0.00 -1.06 2.37 1.02 -1.26 -4.97 120.64 112.74 1p6t n GLU 100 Ca -0.08 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 56.88 1p6t n GLU 100 Cb 0.25 0.00 -0.13 0.00 -0.02 0.00 0.00 31.44 31.54 1p6t n GLU 100 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1p6t n GLY 101 N 0.00 3.28 3.55 0.62 0.00 -1.25 -4.66 105.19 106.72 1p6t n GLY 101 Ca 0.00 -1.26 -0.37 0.00 0.00 0.00 0.00 46.02 44.39 1p6t n GLY 101 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1p6t s VAL 102 N 1.33 4.81 -0.07 1.61 1.01 -1.26 -0.71 120.40 127.11 1p6t s VAL 102 Ca 0.67 -0.01 -0.25 0.00 0.00 0.00 0.00 61.98 62.39 1p6t s VAL 102 Cb 0.28 -3.25 -0.26 0.00 0.00 0.00 0.00 36.38 33.15 1p6t s VAL 102 CO -0.01 0.34 0.93 0.00 0.00 0.00 0.00 175.10 176.35 1p6t h ALA 103 N 7.90 -0.01 -2.83 5.51 0.00 -0.64 -3.43 119.26 125.76 1p6t h ALA 103 Ca -0.37 -0.54 -0.04 0.00 0.00 0.00 0.00 54.91 53.97 1p6t h ALA 103 Cb 1.18 0.03 -0.10 0.00 0.00 0.00 0.00 17.79 18.90 1p6t h ALA 103 CO 0.60 0.14 -0.06 -0.80 0.00 0.00 0.00 179.25 179.14 1p6t s ASN 104 N -6.47 -0.15 -0.47 0.00 0.01 -0.80 -4.52 114.94 102.55 1p6t s ASN 104 Ca -0.16 -0.72 0.06 0.00 -0.71 0.00 0.00 52.86 51.33 1p6t s ASN 104 Cb -0.00 0.57 0.28 0.00 0.41 0.00 0.00 41.25 42.51 1p6t s ASN 104 CO 0.75 -1.09 1.01 0.00 -1.51 0.00 0.00 177.10 176.26 1p6t n ALA 105 N -0.35 -1.30 -1.84 0.60 0.00 -1.26 -0.65 120.51 115.72 1p6t n ALA 105 Ca -0.06 -1.35 -0.41 0.00 0.00 0.00 0.00 53.44 51.62 1p6t n ALA 105 Cb 0.62 -1.39 -0.02 0.00 0.00 0.00 0.00 19.45 18.66 1p6t n ALA 105 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1p6t s PRO 106 N 0.49 4.30 0.05 0.00 0.04 -1.24 -4.62 135.00 134.02 1p6t s PRO 106 Ca 0.27 2.26 0.06 0.00 0.04 0.00 0.00 61.00 63.64 1p6t s PRO 106 Cb 0.26 -3.09 -0.04 0.00 0.04 0.00 0.00 34.50 31.67 1p6t s PRO 106 CO -0.16 -0.32 -0.11 0.08 0.04 0.00 0.00 177.00 176.53 1p6t s VAL 107 N -0.54 3.30 -0.13 -0.36 1.01 -1.26 -1.49 120.40 120.93 1p6t s VAL 107 Ca 0.54 -1.06 -0.03 0.00 0.00 0.00 0.00 61.98 61.43 1p6t s VAL 107 Cb -0.41 -2.46 -0.03 0.00 0.00 0.00 0.00 36.38 33.48 1p6t s VAL 107 CO 0.48 0.28 -0.04 0.20 0.00 0.00 0.00 175.10 176.03 1p6t s ASN 108 N -1.69 4.86 0.00 3.32 -0.87 0.42 -5.00 114.94 115.98 1p6t s ASN 108 Ca 0.18 -0.06 0.26 0.00 -1.57 0.00 0.00 52.86 51.67 1p6t s ASN 108 Cb -0.11 -1.62 0.70 0.00 -0.02 0.00 0.00 41.25 40.20 1p6t s ASN 108 CO 0.09 0.24 1.54 0.33 -2.57 0.00 0.00 177.10 176.73 1p6t n PHE 109 N 3.05 0.00 -0.02 2.20 -0.00 -1.26 -2.50 117.46 118.93 1p6t n PHE 109 Ca -0.18 0.00 0.04 0.00 -0.00 0.00 0.00 57.45 57.32 1p6t n PHE 109 Cb 0.53 -0.27 -0.14 0.00 -0.00 0.00 0.00 39.48 39.59 1p6t n PHE 109 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1p6t n ALA 110 N -1.37 2.36 0.00 3.13 0.00 -1.26 -4.53 120.51 118.85 1p6t n ALA 110 Ca 0.07 -0.71 0.00 0.00 0.00 0.00 0.00 53.44 52.80 1p6t n ALA 110 Cb 0.33 -0.65 -0.00 0.00 0.00 0.00 0.00 19.45 19.13 1p6t n ALA 110 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1p6t n LEU 111 N -2.49 0.00 -3.64 0.00 4.77 -1.26 -5.03 117.00 109.36 1p6t n LEU 111 Ca -0.12 -0.24 -0.22 0.00 -0.03 0.00 0.00 56.01 55.40 1p6t n LEU 111 Cb 0.75 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.89 1p6t n LEU 111 CO 0.44 0.00 0.05 -0.62 -1.33 0.00 0.00 177.39 175.94 1p6t n GLU 112 N -1.26 -5.92 -4.42 3.23 4.71 -1.04 -4.87 120.64 111.06 1p6t n GLU 112 Ca -0.00 0.71 -0.26 0.00 -0.01 0.00 0.00 57.16 57.60 1p6t n GLU 112 Cb 0.00 -5.52 -0.11 0.00 -1.01 0.00 0.00 31.44 24.80 1p6t n GLU 112 CO 0.00 0.00 0.00 0.95 0.09 0.00 0.00 177.13 178.17 1p6t s THR 113 N -3.48 2.43 -0.10 2.62 -4.23 -1.22 -0.71 115.64 110.95 1p6t s THR 113 Ca 0.17 -2.08 0.03 0.00 -1.18 0.00 0.00 61.69 58.63 1p6t s THR 113 Cb -0.08 -2.19 0.01 0.00 1.34 0.00 0.00 72.50 71.58 1p6t s THR 113 CO 0.78 -0.17 -0.18 0.54 -0.54 0.00 0.00 174.62 175.05 1p6t s VAL 114 N -1.83 1.68 -0.69 2.29 0.11 0.41 -0.44 120.40 121.93 1p6t s VAL 114 Ca 0.23 -0.77 -0.22 0.00 -2.93 0.00 0.00 61.98 58.28 1p6t s VAL 114 Cb -0.07 -1.50 0.08 0.00 -1.53 0.00 0.00 36.38 33.35 1p6t s VAL 114 CO 0.11 0.48 0.99 -0.89 -3.33 0.00 0.00 175.10 172.46 1p6t s THR 115 N 0.73 4.36 -0.48 5.04 2.01 -0.55 -0.61 115.64 126.13 1p6t s THR 115 Ca -0.11 -0.50 -0.22 0.00 0.31 0.00 0.00 61.69 61.16 1p6t s THR 115 Cb -0.16 -4.70 0.03 0.00 0.01 0.00 0.00 72.50 67.68 1p6t s THR 115 CO 0.02 -1.47 0.77 0.54 -0.69 0.00 0.00 174.62 173.79 1p6t s VAL 116 N 3.93 4.66 -0.75 3.82 0.11 0.37 -3.63 120.40 128.90 1p6t s VAL 116 Ca 0.24 0.21 -0.19 0.00 -2.93 0.00 0.00 61.98 59.31 1p6t s VAL 116 Cb -0.15 -4.34 0.12 0.00 -1.53 0.00 0.00 36.38 30.47 1p6t s VAL 116 CO 0.08 -0.79 0.91 -1.61 -3.33 0.00 0.00 175.10 170.35 1p6t s GLU 117 N 3.25 3.32 0.06 1.54 2.02 0.17 -0.55 118.70 128.51 1p6t s GLU 117 Ca 0.27 -1.52 -0.04 0.00 0.02 0.00 0.00 54.97 53.70 1p6t s GLU 117 Cb -0.14 -4.51 -0.02 0.00 0.10 0.00 0.00 34.13 29.57 1p6t s GLU 117 CO 0.20 -1.65 0.05 1.52 0.02 0.00 0.00 175.26 175.40 1p6t s TYR 118 N 2.64 0.36 -0.50 1.61 1.13 -0.92 0.07 117.35 121.73 1p6t s TYR 118 Ca 0.22 -0.81 -0.27 0.00 -1.41 0.00 0.00 57.07 54.79 1p6t s TYR 118 Cb -0.14 -0.25 0.03 0.00 -1.10 0.00 0.00 41.96 40.50 1p6t s TYR 118 CO -0.00 -0.41 1.04 1.21 -2.51 0.00 0.00 175.55 174.88 1p6t s ASN 119 N -2.67 6.52 0.00 -0.18 2.47 0.11 -2.61 114.94 118.58 1p6t s ASN 119 Ca 0.03 0.18 0.00 0.00 0.42 0.00 0.00 52.86 53.49 1p6t s ASN 119 Cb 0.04 -2.50 0.00 0.00 -1.45 0.00 0.00 41.25 37.35 1p6t s ASN 119 CO -0.09 -1.21 0.84 -0.81 -3.72 0.00 0.00 177.10 172.11 1p6t n PRO 120 N 7.64 0.96 -0.01 0.43 -0.04 -1.26 -2.88 135.00 139.83 1p6t n PRO 120 Ca 0.08 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.49 1p6t n PRO 120 Cb 0.49 -1.13 -0.02 0.00 -0.04 0.00 0.00 33.50 32.80 1p6t n PRO 120 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1p6t n LYS 121 N 0.40 0.19 -0.09 0.54 4.76 -1.26 -4.77 118.16 117.93 1p6t n LYS 121 Ca 0.00 0.08 -0.06 0.00 -2.87 0.00 0.00 58.31 55.46 1p6t n LYS 121 Cb 0.42 -0.83 0.00 0.00 -1.84 0.00 0.00 35.03 32.78 1p6t n LYS 121 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 1p6t h GLU 122 N -0.34 -0.04 0.00 1.97 3.07 -1.91 -3.44 114.58 113.88 1p6t h GLU 122 Ca -0.08 0.00 -0.43 0.00 -0.50 0.00 0.00 59.36 58.35 1p6t h GLU 122 Cb 0.62 0.01 -0.09 0.00 -0.84 0.00 0.00 28.75 28.45 1p6t h GLU 122 CO -0.05 -0.03 -0.34 0.00 -1.40 0.00 0.00 179.01 177.20 1p6t n ALA 123 N -2.66 0.36 -3.78 3.43 0.00 -1.14 -4.98 120.51 111.74 1p6t n ALA 123 Ca 0.01 -1.55 -0.06 0.00 0.00 0.00 0.00 53.44 51.83 1p6t n ALA 123 Cb 0.21 0.94 -0.02 0.00 0.00 0.00 0.00 19.45 20.59 1p6t n ALA 123 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1p6t s SER 124 N -2.88 -0.27 0.27 0.00 0.01 -1.26 -4.37 113.70 105.21 1p6t s SER 124 Ca 0.08 -0.48 0.02 0.00 1.31 0.00 0.00 55.95 56.87 1p6t s SER 124 Cb 0.00 0.64 0.68 0.00 0.21 0.00 0.00 66.02 67.56 1p6t s SER 124 CO 0.05 -1.17 1.36 0.52 0.41 0.00 0.00 173.24 174.41 1p6t n VAL 125 N -0.45 -0.36 -0.20 3.43 0.31 -1.26 -0.23 118.33 119.57 1p6t n VAL 125 Ca -0.06 1.91 0.00 0.00 -0.01 0.00 0.00 64.34 66.18 1p6t n VAL 125 Cb 0.60 -2.79 0.11 0.00 -0.91 0.00 0.00 33.84 30.84 1p6t n VAL 125 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1p6t h SER 126 N 0.00 0.02 -0.09 4.52 0.02 -1.98 0.17 113.55 116.22 1p6t h SER 126 Ca 0.53 0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 61.59 1p6t h SER 126 Cb 1.12 0.14 -0.00 0.00 0.14 0.00 0.00 62.40 63.79 1p6t h SER 126 CO -0.81 0.02 0.03 -0.78 -1.14 0.00 0.00 176.83 174.15 1p6t h ASP 127 N 0.27 0.12 -0.25 3.07 3.58 -1.00 0.27 116.42 122.48 1p6t h ASP 127 Ca 0.31 -0.17 0.02 0.00 0.42 0.00 0.00 57.03 57.61 1p6t h ASP 127 Cb 0.45 -0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.45 1p6t h ASP 127 CO -0.39 0.26 0.09 -0.07 -2.88 0.00 0.00 179.24 176.25 1p6t h LEU 128 N -0.03 0.12 -0.01 2.28 3.38 -1.08 0.18 115.31 120.16 1p6t h LEU 128 Ca 0.03 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.04 1p6t h LEU 128 Cb 0.18 0.01 -0.05 0.00 0.09 0.00 0.00 40.66 40.88 1p6t h LEU 128 CO -0.00 0.10 -0.47 0.11 0.09 0.00 0.00 178.44 178.26 1p6t h LYS 129 N 0.21 -0.57 -0.69 1.13 1.79 -0.63 -0.84 116.57 116.97 1p6t h LYS 129 Ca 0.11 0.04 0.15 0.00 -2.18 0.00 0.00 60.65 58.76 1p6t h LYS 129 Cb 0.06 0.13 -0.11 0.00 -1.58 0.00 0.00 32.23 30.74 1p6t h LYS 129 CO -0.10 -0.38 0.12 1.49 -1.08 0.00 0.00 179.45 179.50 1p6t h GLU 130 N -0.59 0.22 0.42 3.15 4.22 0.28 0.23 114.58 122.52 1p6t h GLU 130 Ca 0.01 -0.01 -0.02 0.00 0.08 0.00 0.00 59.36 59.42 1p6t h GLU 130 Cb 0.63 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1p6t h GLU 130 CO -0.32 0.15 -0.20 0.00 -2.18 0.00 0.00 179.01 176.45 1p6t h ALA 131 N 1.59 -0.57 -0.15 2.92 0.00 -0.40 0.08 119.26 122.73 1p6t h ALA 131 Ca 0.38 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 55.02 1p6t h ALA 131 Cb 0.64 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1p6t h ALA 131 CO -0.51 -0.79 -0.47 0.28 0.00 0.00 0.00 179.25 177.77 1p6t h VAL 132 N -0.62 1.32 -0.36 0.00 2.07 -0.25 0.34 116.25 118.75 1p6t h VAL 132 Ca -0.06 -1.67 0.00 0.00 0.82 0.00 0.00 66.70 65.80 1p6t h VAL 132 Cb 0.47 1.72 -0.02 0.00 -1.52 0.00 0.00 31.29 31.94 1p6t h VAL 132 CO 0.10 0.51 0.23 0.44 0.02 0.00 0.00 177.57 178.87 1p6t h ASP 133 N 0.31 0.42 -0.63 0.57 3.32 -0.48 0.26 116.42 120.19 1p6t h ASP 133 Ca 0.02 -0.02 -0.07 0.00 0.02 0.00 0.00 57.03 56.97 1p6t h ASP 133 Cb 0.94 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 40.36 1p6t h ASP 133 CO 0.08 0.31 0.11 0.50 -1.72 0.00 0.00 179.24 178.53 1p6t h LYS 134 N 0.49 1.05 0.00 3.56 3.64 -0.61 -1.25 116.57 123.45 1p6t h LYS 134 Ca 0.13 -0.27 -0.03 0.00 -1.27 0.00 0.00 60.65 59.21 1p6t h LYS 134 Cb -0.04 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 31.64 1p6t h LYS 134 CO -0.03 0.96 -0.15 -0.07 -2.27 0.00 0.00 179.45 177.89 1p6t h LEU 135 N 0.99 0.00 0.00 5.20 -0.00 -0.51 -3.47 115.31 117.52 1p6t h LEU 135 Ca 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.08 1p6t h LEU 135 Cb 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.07 1p6t h LEU 135 CO 0.01 0.15 0.00 0.61 -0.00 0.00 0.00 178.44 179.21 1p6t n GLY 136 N -1.09 0.92 0.01 0.83 0.00 0.81 -5.08 105.19 101.60 1p6t n GLY 136 Ca -0.03 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.99 1p6t n GLY 136 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1p6t n TYR 137 N 0.00 -0.00 -4.51 1.61 4.01 -0.50 -5.01 117.16 112.77 1p6t n TYR 137 Ca 0.00 -0.01 -0.23 0.00 -0.16 0.00 0.00 57.90 57.50 1p6t n TYR 137 Cb 0.00 0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 38.87 1p6t n TYR 137 CO 0.00 0.00 0.00 -1.59 -0.46 0.00 0.00 176.86 174.81 1p6t s LYS 138 N -2.01 1.39 0.33 -0.72 -2.85 -0.36 -3.75 119.74 111.76 1p6t s LYS 138 Ca 0.00 -0.37 -0.12 0.00 -1.00 0.00 0.00 55.97 54.49 1p6t s LYS 138 Cb 0.00 -1.20 -0.07 0.00 -2.06 0.00 0.00 37.83 34.49 1p6t s LYS 138 CO 0.00 0.07 0.69 -0.51 0.10 0.00 0.00 175.35 175.70 1p6t s LEU 139 N 0.48 4.01 0.23 2.77 1.43 -1.26 -1.15 118.68 125.18 1p6t s LEU 139 Ca -0.10 1.11 0.02 0.00 -1.03 0.00 0.00 54.13 54.14 1p6t s LEU 139 Cb -0.13 -3.94 -0.05 0.00 0.03 0.00 0.00 46.19 42.10 1p6t s LEU 139 CO 0.02 -0.24 0.04 -0.54 0.23 0.00 0.00 176.35 175.86 1p6t s LYS 140 N -3.27 1.30 0.09 1.70 -0.14 0.74 -4.91 119.74 115.25 1p6t s LYS 140 Ca 0.51 -1.67 0.03 0.00 -1.36 0.00 0.00 55.97 53.48 1p6t s LYS 140 Cb -0.10 -0.39 -0.04 0.00 -1.68 0.00 0.00 37.83 35.62 1p6t s LYS 140 CO 0.24 -0.18 0.10 -0.51 -0.76 0.00 0.00 175.35 174.23 1p6t s LEU 141 N -3.27 3.83 -0.23 3.17 1.02 -1.26 -0.20 118.68 121.74 1p6t s LEU 141 Ca 0.31 -0.01 -0.03 0.00 0.02 0.00 0.00 54.13 54.41 1p6t s LEU 141 Cb 0.07 -2.50 0.01 0.00 0.02 0.00 0.00 46.19 43.78 1p6t s LEU 141 CO 0.09 0.15 -0.05 -0.54 0.02 0.00 0.00 176.35 176.02 1p6t s LYS 142 N -2.52 3.15 0.00 1.70 1.02 -0.54 -4.58 119.74 117.98 1p6t s LYS 142 Ca 0.30 -0.77 0.00 0.00 0.02 0.00 0.00 55.97 55.52 1p6t s LYS 142 Cb -0.12 -2.99 0.00 0.00 -0.52 0.00 0.00 37.83 34.20 1p6t s LYS 142 CO 0.23 -0.28 0.00 0.41 -0.92 0.00 0.00 175.35 174.79 1p6t n GLY 143 N 4.75 1.35 0.25 -3.33 0.00 -1.26 -4.66 105.19 102.29 1p6t n GLY 143 Ca -0.18 -0.07 0.08 0.00 0.00 0.00 0.00 46.02 45.86 1p6t n GLY 143 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1p6t h GLU 144 N 0.00 0.00 0.00 1.61 5.08 -1.86 0.86 114.58 120.27 1p6t h GLU 144 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1p6t h GLU 144 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1p6t h GLU 144 CO 0.00 0.08 0.00 1.04 -1.00 0.00 0.00 179.01 179.13 1p6t n GLN 145 N -4.27 0.20 -1.23 2.33 6.02 -1.26 -4.36 117.38 114.80 1p6t n GLN 145 Ca -0.03 0.17 -0.20 0.00 -0.01 0.00 0.00 57.00 56.94 1p6t n GLN 145 Cb 0.16 -1.73 -0.07 0.00 1.02 0.00 0.00 30.24 29.61 1p6t n GLN 145 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1p6t n ASP 146 N -2.07 6.06 -4.23 1.08 9.92 0.29 -4.74 116.55 122.86 1p6t n ASP 146 Ca 0.06 -2.94 -0.34 0.00 -0.53 0.00 0.00 54.79 51.03 1p6t n ASP 146 Cb 0.40 -1.26 -0.04 0.00 -0.64 0.00 0.00 41.12 39.58 1p6t n ASP 146 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1p6t n SER 147 N 1.30 -2.01 -0.00 -2.24 7.64 -1.26 -4.85 113.62 112.20 1p6t n SER 147 Ca 0.42 -1.07 -0.00 0.00 1.01 0.00 0.00 58.87 59.23 1p6t n SER 147 Cb 0.66 -2.52 -0.00 0.00 -1.01 0.00 0.00 64.21 61.34 1p6t n SER 147 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1p6t n ILE 148 N -4.36 -0.00 -2.07 0.44 5.41 -1.26 -0.64 119.36 116.87 1p6t n ILE 148 Ca -0.04 0.09 -0.01 0.00 1.00 0.00 0.00 62.75 63.80 1p6t n ILE 148 Cb 0.55 -0.12 0.10 0.00 -0.71 0.00 0.00 39.64 39.46 1p6t n ILE 148 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1p6t n GLU 149 N -2.20 1.51 0.00 0.38 1.02 -1.26 -5.04 120.64 115.04 1p6t n GLU 149 Ca 0.00 -3.11 0.00 0.00 -0.02 0.00 0.00 57.16 54.03 1p6t n GLU 149 Cb 0.00 -1.28 0.00 0.00 -0.02 0.00 0.00 31.44 30.14 1p6t n GLU 149 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1p6t n GLY 150 N -0.53 0.68 3.28 0.62 0.00 0.19 -5.28 105.19 104.15 1p6t n GLY 150 Ca 0.18 0.64 0.00 0.00 0.00 0.00 0.00 46.02 46.84 1p6t n GLY 150 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19