#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p6t n LEU 2 N 0.00 -4.73 -1.07 4.03 4.32 -1.26 -4.65 117.00 113.64 1p6t n LEU 2 Ca 0.00 -0.67 0.14 0.00 -0.02 0.00 0.00 56.01 55.46 1p6t n LEU 2 Cb 0.00 -3.15 -0.04 0.00 -1.62 0.00 0.00 43.42 38.61 1p6t n LEU 2 CO 0.00 0.26 -0.28 -1.20 -1.22 0.00 0.00 177.39 174.95 1p6t n SER 3 N -3.17 -6.39 -2.73 -1.43 7.64 -1.26 -4.16 113.62 102.13 1p6t n SER 3 Ca -0.19 0.62 -0.22 0.00 1.01 0.00 0.00 58.87 60.09 1p6t n SER 3 Cb 0.65 -3.36 -0.08 0.00 -1.01 0.00 0.00 64.21 60.41 1p6t n SER 3 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1p6t n GLU 4 N -3.65 2.46 -3.68 1.43 1.02 -1.26 -4.82 120.64 112.14 1p6t n GLU 4 Ca -0.01 -1.43 -0.20 0.00 -0.02 0.00 0.00 57.16 55.49 1p6t n GLU 4 Cb 0.49 -2.33 -0.02 0.00 -0.02 0.00 0.00 31.44 29.56 1p6t n GLU 4 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1p6t s GLN 5 N 2.04 2.88 -0.05 3.49 -1.52 -1.26 -4.11 119.66 121.14 1p6t s GLN 5 Ca 0.57 -1.18 -0.12 0.00 -1.95 0.00 0.00 55.36 52.68 1p6t s GLN 5 Cb 0.20 -2.61 0.02 0.00 -0.22 0.00 0.00 33.01 30.40 1p6t s GLN 5 CO -0.03 0.08 0.28 -1.59 -0.25 0.00 0.00 175.29 173.78 1p6t s LYS 6 N -4.07 0.51 0.15 2.91 0.00 0.65 -4.90 119.74 114.99 1p6t s LYS 6 Ca 0.43 0.01 -0.10 0.00 0.00 0.00 0.00 55.97 56.31 1p6t s LYS 6 Cb -0.07 0.23 -0.06 0.00 0.00 0.00 0.00 37.83 37.93 1p6t s LYS 6 CO 0.28 -0.12 0.48 -1.21 0.00 0.00 0.00 175.35 174.78 1p6t s GLU 7 N -0.75 3.80 -0.07 1.78 8.01 -1.26 -1.38 118.70 128.83 1p6t s GLU 7 Ca -0.08 0.23 -0.04 0.00 0.01 0.00 0.00 54.97 55.09 1p6t s GLU 7 Cb -0.04 -2.85 0.03 0.00 -4.31 0.00 0.00 34.13 26.96 1p6t s GLU 7 CO 0.02 0.45 0.16 -1.50 0.01 0.00 0.00 175.26 174.41 1p6t s ILE 8 N -1.58 -0.03 -0.15 -1.63 2.07 -0.38 -4.87 121.20 114.62 1p6t s ILE 8 Ca 0.40 0.13 0.01 0.00 -1.41 0.00 0.00 60.65 59.78 1p6t s ILE 8 Cb -0.13 -0.26 0.00 0.00 0.13 0.00 0.00 42.46 42.21 1p6t s ILE 8 CO 0.20 0.05 -0.19 0.00 -1.91 0.00 0.00 174.94 173.10 1p6t s ALA 9 N 0.89 2.37 0.07 1.50 0.00 -1.26 -0.94 121.76 124.40 1p6t s ALA 9 Ca -0.07 -1.06 -0.11 0.00 0.00 0.00 0.00 51.96 50.72 1p6t s ALA 9 Cb -0.09 -1.10 0.01 0.00 0.00 0.00 0.00 23.12 21.94 1p6t s ALA 9 CO -0.05 -0.01 0.24 -1.64 0.00 0.00 0.00 175.76 174.30 1p6t s MET 10 N 0.79 0.83 0.12 0.00 -1.94 0.24 -3.20 119.30 116.14 1p6t s MET 10 Ca -0.07 -0.77 -0.22 0.00 -1.71 0.00 0.00 55.69 52.92 1p6t s MET 10 Cb -0.16 0.35 -0.07 0.00 2.01 0.00 0.00 34.83 36.96 1p6t s MET 10 CO -0.00 -0.27 0.67 -0.65 -0.01 0.00 0.00 175.02 174.75 1p6t s GLN 11 N -3.34 4.37 0.04 2.03 -0.21 -1.26 -0.03 119.66 121.27 1p6t s GLN 11 Ca 0.01 0.93 0.05 0.00 0.02 0.00 0.00 55.36 56.37 1p6t s GLN 11 Cb 0.02 -3.25 -0.02 0.00 1.00 0.00 0.00 33.01 30.76 1p6t s GLN 11 CO -0.08 0.61 -0.14 0.54 -2.12 0.00 0.00 175.29 174.10 1p6t s VAL 12 N -1.12 1.08 0.52 1.09 0.11 -1.18 -0.91 120.40 119.99 1p6t s VAL 12 Ca 0.32 -1.05 0.09 0.00 -2.93 0.00 0.00 61.98 58.41 1p6t s VAL 12 Cb -0.21 -1.00 0.05 0.00 -1.53 0.00 0.00 36.38 33.69 1p6t s VAL 12 CO 0.22 -0.05 0.65 -0.44 -3.33 0.00 0.00 175.10 172.16 1p6t s SER 13 N -1.24 5.16 -1.00 3.54 0.01 0.49 -4.56 113.70 116.10 1p6t s SER 13 Ca 0.01 -0.80 0.00 0.00 1.31 0.00 0.00 55.95 56.47 1p6t s SER 13 Cb -0.08 0.02 0.00 0.00 0.21 0.00 0.00 66.02 66.17 1p6t s SER 13 CO 0.01 -1.12 0.00 0.61 0.41 0.00 0.00 173.24 173.16 1p6t n GLY 14 N -2.03 1.04 3.57 3.44 0.00 -1.26 -4.41 105.19 105.55 1p6t n GLY 14 Ca 0.11 -0.28 -0.27 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.58 2.44 0.00 1.61 1.00 -1.26 -4.74 119.30 115.76 1p6t s MET 15 Ca 0.00 -0.75 0.11 0.00 0.00 0.00 0.00 55.69 55.06 1p6t s MET 15 Cb 0.00 -5.15 0.53 0.00 0.00 0.00 0.00 34.83 30.21 1p6t s MET 15 CO 0.00 -3.83 1.31 2.41 0.00 0.00 0.00 175.02 174.91 1p6t n THR 16 N 7.91 0.94 -2.13 2.05 -1.04 -1.26 -4.87 114.28 115.88 1p6t n THR 16 Ca 0.43 0.23 -0.04 0.00 -2.04 0.00 0.00 64.05 62.63 1p6t n THR 16 Cb 0.47 -1.04 0.02 0.00 -1.82 0.00 0.00 70.33 67.95 1p6t n THR 16 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1p6t n ALA 18 N -1.94 0.00 0.25 0.00 0.00 -1.26 -4.99 120.51 112.57 1p6t n ALA 18 Ca -0.04 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.52 1p6t n ALA 18 Cb 0.54 0.00 0.63 0.00 0.00 0.00 0.00 19.45 20.62 1p6t n ALA 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1p6t h ALA 19 N 0.00 1.18 0.41 0.00 0.00 -1.99 -3.22 119.26 115.63 1p6t h ALA 19 Ca 0.00 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1p6t h ALA 19 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1p6t h ALA 19 CO 0.00 0.20 -0.20 0.00 0.00 0.00 0.00 179.25 179.26 1p6t h ALA 21 N 0.05 -0.75 -0.85 0.00 0.00 -1.93 -1.31 119.26 114.46 1p6t h ALA 21 Ca -0.06 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.93 1p6t h ALA 21 Cb 0.42 1.02 -0.06 0.00 0.00 0.00 0.00 17.79 19.18 1p6t h ALA 21 CO 0.09 -1.03 0.55 0.00 0.00 0.00 0.00 179.25 178.87 1p6t h ALA 22 N -0.05 1.64 -0.08 0.00 0.00 -1.45 0.13 119.26 119.46 1p6t h ALA 22 Ca 0.07 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1p6t h ALA 22 Cb 0.63 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1p6t h ALA 22 CO -0.52 0.20 0.03 0.00 0.00 0.00 0.00 179.25 178.95 1p6t h ARG 23 N 0.87 0.12 -0.24 0.00 2.47 -0.11 0.11 114.38 117.59 1p6t h ARG 23 Ca 0.38 -0.02 -0.01 0.00 -1.26 0.00 0.00 59.98 59.06 1p6t h ARG 23 Cb 0.35 -0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.64 1p6t h ARG 23 CO -0.15 0.27 0.09 0.82 0.56 0.00 0.00 179.97 181.56 1p6t h ILE 24 N -0.06 1.17 -0.00 2.04 2.04 0.04 0.20 117.51 122.95 1p6t h ILE 24 Ca 0.03 -0.53 0.02 0.00 1.00 0.00 0.00 64.86 65.37 1p6t h ILE 24 Cb 0.20 1.08 -0.02 0.00 -0.74 0.00 0.00 36.82 37.34 1p6t h ILE 24 CO -0.00 0.17 -0.09 -0.33 0.00 0.00 0.00 178.15 177.90 1p6t h GLU 25 N 0.23 -0.16 -0.61 2.37 5.08 -0.77 0.36 114.58 121.08 1p6t h GLU 25 Ca 0.08 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1p6t h GLU 25 Cb 0.19 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 1p6t h GLU 25 CO -0.01 -0.10 0.40 -0.22 -1.00 0.00 0.00 179.01 178.08 1p6t h LYS 26 N -0.16 0.81 -0.77 2.33 3.64 -0.67 0.92 116.57 122.67 1p6t h LYS 26 Ca 0.04 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.34 1p6t h LYS 26 Cb 0.21 -0.18 -0.04 0.00 -0.41 0.00 0.00 32.23 31.81 1p6t h LYS 26 CO -0.10 0.54 0.37 0.78 -2.27 0.00 0.00 179.45 178.78 1p6t h GLY 27 N 0.83 1.18 0.43 5.01 0.00 -0.12 -2.58 103.07 107.82 1p6t h GLY 27 Ca 0.22 -0.57 -0.00 0.00 0.00 0.00 0.00 47.33 46.98 1p6t h GLY 27 CO -0.05 0.54 -0.01 1.41 0.00 0.00 0.00 176.54 178.44 1p6t h LEU 28 N 1.09 -0.02 -2.62 3.11 3.38 0.18 -3.21 115.31 117.21 1p6t h LEU 28 Ca 0.27 -0.54 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1p6t h LEU 28 Cb 0.10 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 1p6t h LEU 28 CO -0.03 0.54 0.12 0.50 0.09 0.00 0.00 178.44 179.66 1p6t h LYS 29 N -0.60 0.00 -0.77 1.13 1.63 -0.72 0.16 116.57 117.41 1p6t h LYS 29 Ca -0.00 0.00 0.17 0.00 -0.85 0.00 0.00 60.65 59.97 1p6t h LYS 29 Cb 0.56 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 32.14 1p6t h LYS 29 CO 0.00 0.00 0.52 -0.09 -3.45 0.00 0.00 179.45 176.43 1p6t h ARG 30 N 0.00 0.29 -6.68 1.90 2.43 -1.46 -3.42 114.38 107.43 1p6t h ARG 30 Ca 0.00 -0.02 -0.50 0.00 -0.81 0.00 0.00 59.98 58.65 1p6t h ARG 30 Cb 0.25 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.71 1p6t h ARG 30 CO -0.00 0.19 0.30 -1.64 -1.51 0.00 0.00 179.97 177.32 1p6t s MET 31 N -5.30 4.78 0.13 0.20 -1.94 0.57 -5.00 119.30 112.73 1p6t s MET 31 Ca -0.07 1.40 -0.15 0.00 -1.71 0.00 0.00 55.69 55.15 1p6t s MET 31 Cb 0.21 -3.28 -0.01 0.00 2.01 0.00 0.00 34.83 33.77 1p6t s MET 31 CO 0.76 0.53 1.65 -1.00 -0.01 0.00 0.00 175.02 176.95 1p6t h PRO 32 N 4.22 0.64 0.00 2.03 0.13 -1.86 -3.13 132.00 134.04 1p6t h PRO 32 Ca -0.46 -0.14 0.00 0.00 -0.87 0.00 0.00 66.00 64.53 1p6t h PRO 32 Cb 1.20 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1p6t h PRO 32 CO 0.68 0.65 0.00 0.41 -0.23 0.00 0.00 178.00 179.50 1p6t n GLY 33 N -0.64 -1.58 3.58 1.56 0.00 -1.26 -4.67 105.19 102.18 1p6t n GLY 33 Ca -0.00 -0.05 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 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 -3.07 3.00 -0.12 1.61 1.01 -1.18 -0.59 120.40 121.06 1p6t s VAL 34 Ca 0.11 0.00 -0.06 0.00 0.00 0.00 0.00 61.98 62.04 1p6t s VAL 34 Cb 0.14 -3.00 -0.04 0.00 0.00 0.00 0.00 36.38 33.48 1p6t s VAL 34 CO 0.55 -0.00 0.03 0.74 0.00 0.00 0.00 175.10 176.42 1p6t h THR 35 N 7.35 0.20 -2.63 3.92 2.02 -1.38 -3.46 112.91 118.93 1p6t h THR 35 Ca -0.35 -1.17 -0.42 0.00 0.77 0.00 0.00 66.41 65.24 1p6t h THR 35 Cb 1.25 0.39 -0.38 0.00 -1.74 0.00 0.00 68.15 67.68 1p6t h THR 35 CO 1.03 0.07 -0.71 -0.62 0.37 0.00 0.00 175.52 175.66 1p6t s ASP 36 N -5.71 2.42 -0.27 4.18 -1.08 -0.07 -5.02 116.67 111.12 1p6t s ASP 36 Ca -0.07 -0.81 -0.14 0.00 -0.52 0.00 0.00 52.55 51.01 1p6t s ASP 36 Cb 0.00 0.03 -0.04 0.00 -1.46 0.00 0.00 42.92 41.46 1p6t s ASP 36 CO 0.14 -0.39 0.32 0.00 0.52 0.00 0.00 175.17 175.76 1p6t s ALA 37 N 2.22 3.55 0.09 3.66 0.00 -1.26 -0.62 121.76 129.40 1p6t s ALA 37 Ca 0.07 -0.90 0.04 0.00 0.00 0.00 0.00 51.96 51.18 1p6t s ALA 37 Cb -0.15 -2.64 -0.03 0.00 0.00 0.00 0.00 23.12 20.29 1p6t s ALA 37 CO -0.26 -0.62 -0.12 -0.80 0.00 0.00 0.00 175.76 173.96 1p6t s ASN 38 N 1.67 1.54 -0.11 0.00 0.01 0.16 -4.94 114.94 113.28 1p6t s ASN 38 Ca 0.13 -0.74 -0.04 0.00 -0.71 0.00 0.00 52.86 51.49 1p6t s ASN 38 Cb -0.16 -0.02 0.05 0.00 0.41 0.00 0.00 41.25 41.54 1p6t s ASN 38 CO 0.10 -0.19 0.22 0.54 -1.51 0.00 0.00 177.10 176.27 1p6t s VAL 39 N -2.01 -0.28 -1.36 1.60 0.11 -1.26 -0.42 120.40 116.78 1p6t s VAL 39 Ca 0.03 0.27 -0.16 0.00 -2.93 0.00 0.00 61.98 59.19 1p6t s VAL 39 Cb -0.06 -0.38 0.05 0.00 -1.53 0.00 0.00 36.38 34.46 1p6t s VAL 39 CO 0.01 0.11 1.97 0.59 -3.33 0.00 0.00 175.10 174.45 1p6t n ASN 40 N 5.07 4.36 0.29 3.54 4.13 0.73 -4.71 115.26 128.67 1p6t n ASN 40 Ca -0.10 -2.87 0.15 0.00 1.68 0.00 0.00 54.58 53.43 1p6t n ASN 40 Cb 0.50 -1.70 0.80 0.00 -1.54 0.00 0.00 39.78 37.85 1p6t n ASN 40 CO 0.00 0.00 0.00 0.17 0.28 0.00 0.00 177.26 177.71 1p6t h LEU 41 N 11.55 0.00 -0.97 3.41 8.10 -1.94 0.56 115.31 136.02 1p6t h LEU 41 Ca 0.50 0.00 -0.09 0.00 0.11 0.00 0.00 57.88 58.40 1p6t h LEU 41 Cb 0.76 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.97 1p6t h LEU 41 CO 1.66 0.00 -0.23 0.00 -4.11 0.00 0.00 178.44 175.76 1p6t h ALA 42 N 1.54 1.13 0.00 0.17 0.00 -1.96 -3.31 119.26 116.84 1p6t h ALA 42 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1p6t h ALA 42 Cb 0.42 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1p6t h ALA 42 CO 0.00 0.55 0.00 0.25 0.00 0.00 0.00 179.25 180.05 1p6t n THR 43 N -4.14 0.56 -3.42 0.00 -2.24 0.48 -5.03 114.28 100.49 1p6t n THR 43 Ca -0.00 -0.75 -0.20 0.00 -2.27 0.00 0.00 64.05 60.84 1p6t n THR 43 Cb 0.39 0.75 0.07 0.00 -2.10 0.00 0.00 70.33 69.44 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 -0.28 -6.77 -4.03 -0.78 1.02 0.17 -5.02 120.64 104.95 1p6t n GLU 44 Ca 0.00 0.74 -0.31 0.00 -0.02 0.00 0.00 57.16 57.56 1p6t n GLU 44 Cb 0.17 -5.49 -0.15 0.00 -0.02 0.00 0.00 31.44 25.94 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 -3.29 1.93 -0.10 2.62 2.01 -0.92 -3.12 115.64 114.77 1p6t s THR 45 Ca 0.39 -1.43 -0.25 0.00 0.31 0.00 0.00 61.69 60.71 1p6t s THR 45 Cb -0.17 -2.07 -0.03 0.00 0.01 0.00 0.00 72.50 70.24 1p6t s THR 45 CO 0.64 -0.01 0.79 0.54 -0.69 0.00 0.00 174.62 175.89 1p6t s VAL 46 N 1.22 4.96 -0.22 3.82 0.11 0.95 -0.19 120.40 131.05 1p6t s VAL 46 Ca -0.07 1.60 0.01 0.00 -2.93 0.00 0.00 61.98 60.60 1p6t s VAL 46 Cb -0.19 -4.12 0.05 0.00 -1.53 0.00 0.00 36.38 30.59 1p6t s VAL 46 CO -0.06 0.15 -0.09 0.20 -3.33 0.00 0.00 175.10 171.97 1p6t s ASN 47 N 0.98 3.73 -0.11 3.54 0.01 0.44 -0.59 114.94 122.94 1p6t s ASN 47 Ca 0.40 -1.07 0.03 0.00 -0.71 0.00 0.00 52.86 51.51 1p6t s ASN 47 Cb -0.18 -1.29 -0.01 0.00 0.41 0.00 0.00 41.25 40.19 1p6t s ASN 47 CO 0.17 -0.18 -0.20 -0.69 -1.51 0.00 0.00 177.10 174.69 1p6t s VAL 48 N 1.33 2.38 -0.18 1.60 1.01 -0.12 -0.67 120.40 125.76 1p6t s VAL 48 Ca -0.04 -0.91 -0.02 0.00 0.00 0.00 0.00 61.98 61.01 1p6t s VAL 48 Cb -0.18 -1.94 -0.01 0.00 0.00 0.00 0.00 36.38 34.26 1p6t s VAL 48 CO -0.07 0.55 -0.09 -0.63 0.00 0.00 0.00 175.10 174.86 1p6t s ILE 49 N 0.33 3.11 0.20 2.22 1.09 0.20 -1.25 121.20 127.10 1p6t s ILE 49 Ca -0.16 -0.60 -0.18 0.00 -1.10 0.00 0.00 60.65 58.61 1p6t s ILE 49 Cb -0.17 -2.37 0.03 0.00 -1.06 0.00 0.00 42.46 38.89 1p6t s ILE 49 CO 0.08 0.47 0.54 -0.72 -0.10 0.00 0.00 174.94 175.21 1p6t s TYR 50 N 1.04 -0.11 0.00 3.97 1.13 -0.48 -0.89 117.35 122.02 1p6t s TYR 50 Ca -0.00 -0.24 -0.30 0.00 -1.41 0.00 0.00 57.07 55.12 1p6t s TYR 50 Cb -0.15 0.41 -0.05 0.00 -1.10 0.00 0.00 41.96 41.08 1p6t s TYR 50 CO -0.01 -0.95 1.28 0.34 -2.51 0.00 0.00 175.55 173.70 1p6t s ASP 51 N -2.88 6.98 0.00 -0.18 -1.08 0.25 -0.26 116.67 119.49 1p6t s ASP 51 Ca 0.10 2.00 0.00 0.00 -0.52 0.00 0.00 52.55 54.12 1p6t s ASP 51 Cb -0.01 -2.57 0.00 0.00 -1.46 0.00 0.00 42.92 38.88 1p6t s ASP 51 CO -0.02 -0.61 0.86 -0.81 0.52 0.00 0.00 175.17 175.11 1p6t n PRO 52 N 4.87 0.99 0.00 4.34 -0.04 -1.26 -3.50 135.00 140.40 1p6t n PRO 52 Ca 0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 1p6t n PRO 52 Cb 0.45 -1.13 0.00 0.00 -0.04 0.00 0.00 33.50 32.78 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 -0.36 1.80 0.09 0.55 0.00 -1.26 -4.74 120.51 116.59 1p6t n ALA 53 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.21 1p6t n ALA 53 Cb 0.07 0.23 -0.15 0.00 0.00 0.00 0.00 19.45 19.60 1p6t n ALA 53 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1p6t h GLU 54 N 0.00 0.42 0.00 0.00 5.08 -1.97 -3.46 114.58 114.64 1p6t h GLU 54 Ca 0.00 -0.71 0.00 0.00 -1.00 0.00 0.00 59.36 57.65 1p6t h GLU 54 Cb 0.66 0.26 0.00 0.00 0.50 0.00 0.00 28.75 30.17 1p6t h GLU 54 CO 0.00 1.34 0.00 2.41 -1.00 0.00 0.00 179.01 181.76 1p6t n THR 55 N -3.80 0.00 0.00 1.13 -1.04 -1.23 -4.86 114.28 104.48 1p6t n THR 55 Ca -0.19 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.82 1p6t n THR 55 Cb 1.01 -0.69 0.00 0.00 -1.82 0.00 0.00 70.33 68.83 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 3.38 2.09 0.17 3.41 0.00 -1.26 -4.41 105.19 108.57 1p6t n GLY 56 Ca 0.00 -1.31 0.04 0.00 0.00 0.00 0.00 46.02 44.75 1p6t n GLY 56 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1p6t n THR 57 N 2.33 -0.20 -0.26 2.61 5.66 -1.26 0.24 114.28 123.39 1p6t n THR 57 Ca 0.00 1.10 -0.06 0.00 -3.05 0.00 0.00 64.05 62.05 1p6t n THR 57 Cb 0.00 -1.54 0.06 0.00 -1.55 0.00 0.00 70.33 67.29 1p6t n THR 57 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1p6t h ALA 58 N 0.97 0.94 -0.32 1.79 0.00 -1.88 0.00 119.26 120.75 1p6t h ALA 58 Ca 0.24 -0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.89 1p6t h ALA 58 Cb 0.40 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1p6t h ALA 58 CO -0.49 0.48 -0.34 0.00 0.00 0.00 0.00 179.25 178.90 1p6t h ALA 59 N 1.19 0.80 0.29 0.00 0.00 -0.42 0.23 119.26 121.35 1p6t h ALA 59 Ca 0.25 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1p6t h ALA 59 Cb 0.08 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1p6t h ALA 59 CO -0.04 0.65 -0.14 0.82 0.00 0.00 0.00 179.25 180.54 1p6t h ILE 60 N 0.60 0.74 -0.54 0.00 1.08 -0.73 0.94 117.51 119.59 1p6t h ILE 60 Ca 0.06 -0.17 -0.07 0.00 -0.39 0.00 0.00 64.86 64.30 1p6t h ILE 60 Cb 0.86 0.83 -0.02 0.00 -3.07 0.00 0.00 36.82 35.42 1p6t h ILE 60 CO 0.08 0.04 0.06 0.06 -0.69 0.00 0.00 178.15 177.69 1p6t h GLN 61 N -0.47 0.87 -0.99 2.37 -0.00 -0.96 -1.54 115.11 114.38 1p6t h GLN 61 Ca -0.04 -0.22 0.07 0.00 -0.00 0.00 0.00 58.65 58.47 1p6t h GLN 61 Cb 0.36 -0.11 -0.07 0.00 -0.00 0.00 0.00 27.48 27.66 1p6t h GLN 61 CO 0.06 0.83 0.64 1.49 -0.00 0.00 0.00 178.83 181.85 1p6t h GLU 62 N 0.82 1.10 0.09 0.06 4.81 -0.20 0.17 114.58 121.44 1p6t h GLU 62 Ca 0.17 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.33 1p6t h GLU 62 Cb 0.40 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 29.54 1p6t h GLU 62 CO 0.01 0.73 -0.04 -0.22 -0.73 0.00 0.00 179.01 178.76 1p6t h LYS 63 N 1.13 -0.11 -0.49 1.92 1.63 0.17 0.17 116.57 121.00 1p6t h LYS 63 Ca 0.44 0.01 0.07 0.00 -0.85 0.00 0.00 60.65 60.32 1p6t h LYS 63 Cb 0.22 0.03 -0.06 0.00 -0.60 0.00 0.00 32.23 31.81 1p6t h LYS 63 CO -0.19 -0.06 0.14 0.82 -3.45 0.00 0.00 179.45 176.71 1p6t h ILE 64 N -0.13 0.79 0.39 2.00 2.04 -0.75 0.15 117.51 121.99 1p6t h ILE 64 Ca -0.01 -0.10 -0.02 0.00 1.00 0.00 0.00 64.86 65.73 1p6t h ILE 64 Cb 0.10 0.46 0.00 0.00 -0.74 0.00 0.00 36.82 36.65 1p6t h ILE 64 CO 0.02 0.05 -0.19 -0.33 0.00 0.00 0.00 178.15 177.71 1p6t h GLU 65 N 0.30 -0.51 -0.58 2.37 5.08 -0.65 -2.59 114.58 118.01 1p6t h GLU 65 Ca 0.24 0.03 0.08 0.00 -1.00 0.00 0.00 59.36 58.71 1p6t h GLU 65 Cb 0.28 0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.61 1p6t h GLU 65 CO -0.27 -0.26 0.39 0.87 -1.00 0.00 0.00 179.01 178.73 1p6t h LYS 66 N -0.65 0.46 0.00 2.33 1.57 -0.47 0.15 116.57 119.95 1p6t h LYS 66 Ca -0.05 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1p6t h LYS 66 Cb 0.47 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.68 1p6t h LYS 66 CO 0.09 0.30 0.00 1.28 -0.57 0.00 0.00 179.45 180.55 1p6t n LEU 67 N -4.47 0.00 -0.24 2.94 7.99 0.50 -4.85 117.00 118.87 1p6t n LEU 67 Ca 0.09 0.24 0.00 0.00 -0.01 0.00 0.00 56.01 56.33 1p6t n LEU 67 Cb 0.30 -0.24 0.00 0.00 -0.11 0.00 0.00 43.42 43.37 1p6t n LEU 67 CO 0.34 -0.13 0.00 0.61 -1.51 0.00 0.00 177.39 176.70 1p6t n GLY 68 N -0.07 0.94 3.41 -0.72 0.00 0.52 -5.06 105.19 104.20 1p6t n GLY 68 Ca 0.07 -0.29 -0.22 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.39 1.73 0.02 1.61 2.02 -1.00 -4.99 117.35 114.35 1p6t s TYR 69 Ca 0.00 -1.40 0.01 0.00 -0.37 0.00 0.00 57.07 55.31 1p6t s TYR 69 Cb 0.00 -0.97 -0.01 0.00 -0.40 0.00 0.00 41.96 40.58 1p6t s TYR 69 CO 0.00 -0.50 -0.04 -1.01 -1.57 0.00 0.00 175.55 172.43 1p6t s HIS 70 N -3.38 0.34 0.02 2.71 3.76 -1.26 -4.17 115.29 113.31 1p6t s HIS 70 Ca 0.31 -0.35 -0.10 0.00 -0.15 0.00 0.00 55.06 54.77 1p6t s HIS 70 Cb 0.03 -0.22 -0.05 0.00 1.11 0.00 0.00 32.58 33.45 1p6t s HIS 70 CO 0.19 -0.10 0.35 0.14 -0.85 0.00 0.00 174.74 174.47 1p6t s VAL 71 N -0.96 5.16 -0.97 -0.90 -7.23 -1.26 -0.38 120.40 113.86 1p6t s VAL 71 Ca -0.09 0.49 -0.07 0.00 -1.81 0.00 0.00 61.98 60.50 1p6t s VAL 71 Cb -0.07 -3.62 -0.08 0.00 0.56 0.00 0.00 36.38 33.17 1p6t s VAL 71 CO -0.00 0.43 3.02 0.52 -0.31 0.00 0.00 175.10 178.75 1p6t n VAL 72 N 1.34 4.02 -4.65 1.32 0.31 -0.09 -4.86 118.33 115.72 1p6t n VAL 72 Ca -0.12 -2.67 -0.24 0.00 -0.01 0.00 0.00 64.34 61.30 1p6t n VAL 72 Cb 0.53 -2.21 -0.16 0.00 -0.91 0.00 0.00 33.84 31.08 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 0.65 1.16 -0.01 2.52 2.01 -1.26 -4.10 115.64 116.61 1p6t s THR 73 Ca 0.65 -0.56 0.02 0.00 0.31 0.00 0.00 61.69 62.11 1p6t s THR 73 Cb 0.25 -1.01 -0.01 0.00 0.01 0.00 0.00 72.50 71.74 1p6t s THR 73 CO -0.07 0.34 -0.08 -1.61 -0.69 0.00 0.00 174.62 172.51 1p6t s GLU 74 N 0.14 0.67 -1.01 4.92 2.02 0.23 -4.89 118.70 120.77 1p6t s GLU 74 Ca -0.04 -0.28 -0.21 0.00 0.02 0.00 0.00 54.97 54.45 1p6t s GLU 74 Cb -0.11 -0.64 0.08 0.00 0.10 0.00 0.00 34.13 33.56 1p6t s GLU 74 CO 0.02 0.17 1.35 -1.59 0.02 0.00 0.00 175.26 175.22 1p6t s LYS 75 N -0.15 3.63 -0.07 1.61 -2.85 -1.26 -1.58 119.74 119.06 1p6t s LYS 75 Ca 0.03 -1.44 -0.21 0.00 -1.00 0.00 0.00 55.97 53.34 1p6t s LYS 75 Cb -0.04 -5.20 -0.04 0.00 -2.06 0.00 0.00 37.83 30.49 1p6t s LYS 75 CO -0.00 -2.04 0.60 0.00 0.10 0.00 0.00 175.35 174.01 1p6t s ALA 76 N 4.00 3.41 -0.36 0.59 0.00 0.32 -4.87 121.76 124.85 1p6t s ALA 76 Ca 0.41 -0.00 -0.20 0.00 0.00 0.00 0.00 51.96 52.17 1p6t s ALA 76 Cb -0.02 -2.80 0.00 0.00 0.00 0.00 0.00 23.12 20.30 1p6t s ALA 76 CO -0.09 -0.02 0.60 -1.21 0.00 0.00 0.00 175.76 175.05 1p6t s GLU 77 N 0.56 3.60 -0.02 0.00 2.02 -1.26 -0.33 118.70 123.27 1p6t s GLU 77 Ca 0.32 -0.07 0.03 0.00 0.02 0.00 0.00 54.97 55.26 1p6t s GLU 77 Cb -0.17 -3.83 -0.03 0.00 0.10 0.00 0.00 34.13 30.20 1p6t s GLU 77 CO 0.15 -0.74 -0.08 -0.06 0.02 0.00 0.00 175.26 174.55 1p6t s PHE 78 N 2.62 2.88 0.18 1.61 0.08 0.03 -2.62 117.98 122.75 1p6t s PHE 78 Ca 0.22 -0.04 -0.08 0.00 0.12 0.00 0.00 56.93 57.15 1p6t s PHE 78 Cb -0.15 -1.64 -0.06 0.00 -0.57 0.00 0.00 43.02 40.60 1p6t s PHE 78 CO 0.15 0.34 0.47 0.34 -0.10 0.00 0.00 175.22 176.42 1p6t s ASP 79 N -1.18 6.59 -0.10 1.36 -1.08 0.65 -0.31 116.67 122.60 1p6t s ASP 79 Ca 0.15 0.79 0.04 0.00 -0.52 0.00 0.00 52.55 53.01 1p6t s ASP 79 Cb -0.11 -2.17 0.00 0.00 -1.46 0.00 0.00 42.92 39.18 1p6t s ASP 79 CO 0.05 0.01 -0.23 -0.63 0.52 0.00 0.00 175.17 174.89 1p6t s ILE 80 N -1.69 1.99 -0.42 4.11 1.01 -0.22 -0.21 121.20 125.76 1p6t s ILE 80 Ca 0.43 -0.97 -0.04 0.00 0.00 0.00 0.00 60.65 60.07 1p6t s ILE 80 Cb -0.12 -1.73 0.11 0.00 0.01 0.00 0.00 42.46 40.73 1p6t s ILE 80 CO 0.22 0.54 0.23 -1.61 0.00 0.00 0.00 174.94 174.32 1p6t s GLU 81 N 0.44 2.07 0.00 2.79 2.02 -0.16 -4.73 118.70 121.13 1p6t s GLU 81 Ca -0.17 -1.82 0.00 0.00 0.02 0.00 0.00 54.97 53.00 1p6t s GLU 81 Cb -0.17 -3.63 0.00 0.00 0.10 0.00 0.00 34.13 30.42 1p6t s GLU 81 CO 0.07 -1.09 0.00 0.41 0.02 0.00 0.00 175.26 174.67 1p6t n GLY 82 N 4.63 -0.30 3.67 -1.39 0.00 -1.26 -1.74 105.19 108.79 1p6t n GLY 82 Ca -0.03 0.23 -0.43 0.00 0.00 0.00 0.00 46.02 45.80 1p6t n GLY 82 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1p6t n MET 83 N 0.00 2.82 -0.00 1.61 0.00 -1.26 -4.83 117.12 115.45 1p6t n MET 83 Ca 0.00 1.03 0.00 0.00 0.00 0.00 0.00 57.70 58.73 1p6t n MET 83 Cb 0.00 -2.97 0.00 0.00 0.00 0.00 0.00 33.22 30.25 1p6t n MET 83 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 1p6t n THR 84 N 5.31 0.22 0.00 3.17 -2.24 -1.26 -5.03 114.28 114.45 1p6t n THR 84 Ca 0.20 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 1p6t n THR 84 Cb 0.39 0.89 0.00 0.00 -2.10 0.00 0.00 70.33 69.51 1p6t n THR 84 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1p6t n ALA 86 N -3.00 0.91 0.00 0.00 0.00 -1.26 -4.98 120.51 112.17 1p6t n ALA 86 Ca 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 53.44 52.64 1p6t n ALA 86 Cb 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 18.62 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 -0.90 1.35 -0.17 0.00 0.00 -1.26 -4.85 120.51 114.68 1p6t n ALA 87 Ca -0.12 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.27 1p6t n ALA 87 Cb 0.77 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.27 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 1.27 1.58 -0.31 0.00 0.00 -1.95 0.61 119.26 120.46 1p6t h ALA 89 Ca 0.23 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.98 1p6t h ALA 89 Cb 0.13 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1p6t h ALA 89 CO -0.16 0.31 -0.29 -0.91 0.00 0.00 0.00 179.25 178.21 1p6t h ASN 90 N 0.91 0.80 0.13 0.00 2.35 -1.12 0.55 115.58 119.20 1p6t h ASN 90 Ca 0.33 -0.46 -0.01 0.00 -0.55 0.00 0.00 56.30 55.61 1p6t h ASN 90 Cb 0.16 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.30 1p6t h ASN 90 CO -0.11 1.09 -0.06 0.03 -1.65 0.00 0.00 177.43 176.73 1p6t h ARG 91 N 0.51 -0.17 -0.95 0.81 2.47 -0.27 -0.12 114.38 116.66 1p6t h ARG 91 Ca 0.05 0.01 0.01 0.00 -1.26 0.00 0.00 59.98 58.79 1p6t h ARG 91 Cb 0.86 0.04 -0.05 0.00 -1.65 0.00 0.00 29.97 29.17 1p6t h ARG 91 CO 0.07 -0.00 0.61 -0.84 0.56 0.00 0.00 179.97 180.37 1p6t h ILE 92 N -0.31 1.25 0.38 2.04 -0.00 -0.89 -2.42 117.51 117.57 1p6t h ILE 92 Ca -0.02 -0.47 -0.00 0.00 -0.00 0.00 0.00 64.86 64.36 1p6t h ILE 92 Cb 0.25 -0.13 -0.03 0.00 -0.00 0.00 0.00 36.82 36.90 1p6t h ILE 92 CO 0.03 0.24 -0.46 -0.08 -0.00 0.00 0.00 178.15 177.89 1p6t h GLU 93 N 1.29 -0.84 -0.39 0.16 4.22 -0.67 0.18 114.58 118.52 1p6t h GLU 93 Ca 0.35 0.06 0.11 0.00 0.08 0.00 0.00 59.36 59.96 1p6t h GLU 93 Cb -0.13 0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 1p6t h GLU 93 CO -0.07 -0.56 0.35 0.87 -2.18 0.00 0.00 179.01 177.42 1p6t h LYS 94 N -0.87 0.00 0.00 1.92 1.79 -0.77 0.22 116.57 118.86 1p6t h LYS 94 Ca -0.04 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 1p6t h LYS 94 Cb 0.79 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.44 1p6t h LYS 94 CO -0.11 0.00 0.00 0.54 -1.08 0.00 0.00 179.45 178.80 1p6t n ARG 95 N -4.00 0.00 -0.32 3.15 1.74 -0.72 -4.41 116.66 112.10 1p6t n ARG 95 Ca 0.07 0.46 0.18 0.00 -0.77 0.00 0.00 57.85 57.78 1p6t n ARG 95 Cb 0.53 -1.11 0.36 0.00 -1.02 0.00 0.00 32.46 31.23 1p6t n ARG 95 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1p6t h LEU 96 N 0.00 -0.05 -0.46 0.55 3.38 0.50 -0.44 115.31 118.79 1p6t h LEU 96 Ca 0.00 0.23 0.12 0.00 0.09 0.00 0.00 57.88 58.32 1p6t h LEU 96 Cb 0.00 0.33 -0.09 0.00 0.09 0.00 0.00 40.66 40.99 1p6t h LEU 96 CO 0.00 -0.27 -0.02 -3.20 0.09 0.00 0.00 178.44 175.04 1p6t n ASN 97 N -5.30 -0.08 -2.84 -0.43 2.85 0.67 -3.20 115.26 106.92 1p6t n ASN 97 Ca 0.26 0.79 -0.04 0.00 -0.11 0.00 0.00 54.58 55.48 1p6t n ASN 97 Cb 0.85 -0.28 0.00 0.00 1.24 0.00 0.00 39.78 41.60 1p6t n ASN 97 CO 0.00 0.00 0.00 -1.59 -2.11 0.00 0.00 177.26 173.56 1p6t s LYS 98 N -5.36 1.03 0.00 1.20 -2.85 -0.21 -4.37 119.74 109.18 1p6t s LYS 98 Ca -0.06 -0.96 0.00 0.00 -1.00 0.00 0.00 55.97 53.95 1p6t s LYS 98 Cb 0.13 -0.05 0.00 0.00 -2.06 0.00 0.00 37.83 35.85 1p6t s LYS 98 CO 0.36 -1.31 0.33 -0.89 0.10 0.00 0.00 175.35 173.94 1p6t n ILE 99 N 3.17 0.00 0.00 3.79 5.41 -1.00 -4.99 119.36 125.75 1p6t n ILE 99 Ca 0.17 0.75 0.00 0.00 1.00 0.00 0.00 62.75 64.67 1p6t n ILE 99 Cb 0.56 -1.58 0.00 0.00 -0.71 0.00 0.00 39.64 37.91 1p6t n ILE 99 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1p6t n GLU 100 N -0.40 0.00 -1.19 0.38 -0.58 -1.26 -4.94 120.64 112.66 1p6t n GLU 100 Ca 0.00 0.00 -0.20 0.00 -0.42 0.00 0.00 57.16 56.54 1p6t n GLU 100 Cb 0.00 0.00 -0.12 0.00 -0.57 0.00 0.00 31.44 30.75 1p6t n GLU 100 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1p6t n GLY 101 N 4.51 3.55 3.30 0.62 0.00 -1.19 -4.27 105.19 111.70 1p6t n GLY 101 Ca 0.00 -1.42 -0.36 0.00 0.00 0.00 0.00 46.02 44.24 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 0.48 3.66 0.01 1.61 1.01 -1.26 -0.47 120.40 125.43 1p6t s VAL 102 Ca 0.65 -0.78 -0.23 0.00 0.00 0.00 0.00 61.98 61.62 1p6t s VAL 102 Cb 0.30 -2.88 -0.17 0.00 0.00 0.00 0.00 36.38 33.63 1p6t s VAL 102 CO -0.06 0.11 1.31 0.00 0.00 0.00 0.00 175.10 176.47 1p6t h ALA 103 N 8.17 0.11 -2.83 5.51 0.00 -0.56 -3.42 119.26 126.25 1p6t h ALA 103 Ca -0.32 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.26 1p6t h ALA 103 Cb 1.12 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.79 1p6t h ALA 103 CO 0.59 -0.07 -0.10 -0.80 0.00 0.00 0.00 179.25 178.87 1p6t s ASN 104 N -5.92 -0.11 -0.47 0.00 0.01 -0.93 -4.76 114.94 102.76 1p6t s ASN 104 Ca -0.15 -0.86 0.06 0.00 -0.71 0.00 0.00 52.86 51.20 1p6t s ASN 104 Cb 0.04 0.58 0.29 0.00 0.41 0.00 0.00 41.25 42.56 1p6t s ASN 104 CO 0.72 -1.12 1.01 0.00 -1.51 0.00 0.00 177.10 176.19 1p6t n ALA 105 N -0.37 -0.93 -2.04 0.60 0.00 -1.26 -0.61 120.51 115.90 1p6t n ALA 105 Ca -0.03 -1.51 -0.42 0.00 0.00 0.00 0.00 53.44 51.49 1p6t n ALA 105 Cb 0.62 -1.22 -0.03 0.00 0.00 0.00 0.00 19.45 18.82 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 0.36 4.36 -0.02 0.00 0.04 -1.07 -4.63 135.00 134.04 1p6t s PRO 106 Ca 0.27 2.07 -0.04 0.00 0.04 0.00 0.00 61.00 63.34 1p6t s PRO 106 Cb 0.27 -3.20 -0.04 0.00 0.04 0.00 0.00 34.50 31.56 1p6t s PRO 106 CO -0.13 -0.31 0.20 0.14 0.04 0.00 0.00 177.00 176.94 1p6t s VAL 107 N 0.34 5.42 0.17 -0.36 -7.23 -1.26 -1.33 120.40 116.15 1p6t s VAL 107 Ca 0.59 -0.05 0.10 0.00 -1.81 0.00 0.00 61.98 60.81 1p6t s VAL 107 Cb -0.37 -3.53 -0.04 0.00 0.56 0.00 0.00 36.38 33.00 1p6t s VAL 107 CO 0.37 0.37 -0.15 0.20 -0.31 0.00 0.00 175.10 175.57 1p6t s ASN 108 N -1.78 3.94 -0.14 4.85 -0.87 0.32 -4.99 114.94 116.27 1p6t s ASN 108 Ca 0.26 -0.66 0.15 0.00 -1.57 0.00 0.00 52.86 51.04 1p6t s ASN 108 Cb -0.13 -0.55 0.32 0.00 -0.02 0.00 0.00 41.25 40.88 1p6t s ASN 108 CO 0.16 0.12 1.17 0.33 -2.57 0.00 0.00 177.10 176.31 1p6t n PHE 109 N 0.27 0.00 0.00 2.20 -0.00 -1.26 -3.45 117.46 115.22 1p6t n PHE 109 Ca -0.12 -1.07 0.00 0.00 -0.00 0.00 0.00 57.45 56.26 1p6t n PHE 109 Cb 0.55 -0.18 0.00 0.00 -0.00 0.00 0.00 39.48 39.85 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 -1.06 1.81 0.42 3.13 0.00 -1.26 -4.75 120.51 118.78 1p6t n ALA 110 Ca 0.15 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.70 1p6t n ALA 110 Cb 0.70 0.23 -0.15 0.00 0.00 0.00 0.00 19.45 20.23 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 -1.76 0.43 -2.85 0.00 4.77 -1.26 -5.01 117.00 111.31 1p6t n LEU 111 Ca 0.00 -0.21 -0.13 0.00 -0.03 0.00 0.00 56.01 55.65 1p6t n LEU 111 Cb 0.30 -0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.45 1p6t n LEU 111 CO 0.00 0.10 0.07 -0.62 -1.33 0.00 0.00 177.39 175.62 1p6t n GLU 112 N -1.94 -4.49 -4.19 3.23 4.71 -1.26 -4.95 120.64 111.76 1p6t n GLU 112 Ca -0.01 0.65 -0.11 0.00 -0.01 0.00 0.00 57.16 57.68 1p6t n GLU 112 Cb 0.47 -5.02 -0.10 0.00 -1.01 0.00 0.00 31.44 25.78 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 -3.28 0.55 -0.07 2.62 -4.23 -1.22 -1.06 115.64 108.95 1p6t s THR 113 Ca 0.06 -1.94 0.04 0.00 -1.18 0.00 0.00 61.69 58.67 1p6t s THR 113 Cb -0.01 -1.90 -0.00 0.00 1.34 0.00 0.00 72.50 71.93 1p6t s THR 113 CO 0.56 -0.66 -0.20 0.54 -0.54 0.00 0.00 174.62 174.31 1p6t s VAL 114 N -3.73 1.70 -0.27 2.29 0.11 0.58 -0.52 120.40 120.56 1p6t s VAL 114 Ca 0.18 -0.84 -0.25 0.00 -2.93 0.00 0.00 61.98 58.14 1p6t s VAL 114 Cb 0.06 -1.47 0.00 0.00 -1.53 0.00 0.00 36.38 33.44 1p6t s VAL 114 CO -0.01 0.48 0.86 -0.89 -3.33 0.00 0.00 175.10 172.21 1p6t s THR 115 N 0.19 4.78 -0.34 5.04 2.01 -0.44 -0.79 115.64 126.08 1p6t s THR 115 Ca -0.10 1.51 -0.11 0.00 0.31 0.00 0.00 61.69 63.31 1p6t s THR 115 Cb -0.15 -4.17 0.01 0.00 0.01 0.00 0.00 72.50 68.20 1p6t s THR 115 CO 0.05 -0.17 0.19 0.54 -0.69 0.00 0.00 174.62 174.53 1p6t s VAL 116 N 2.99 4.66 -0.69 3.82 0.11 0.55 -2.60 120.40 129.25 1p6t s VAL 116 Ca 0.36 -0.60 -0.18 0.00 -2.93 0.00 0.00 61.98 58.63 1p6t s VAL 116 Cb -0.15 -3.48 0.13 0.00 -1.53 0.00 0.00 36.38 31.35 1p6t s VAL 116 CO 0.09 -0.08 0.78 -1.61 -3.33 0.00 0.00 175.10 170.95 1p6t s GLU 117 N 1.60 3.23 0.22 1.54 2.02 0.22 -0.52 118.70 127.00 1p6t s GLU 117 Ca 0.04 -1.59 -0.05 0.00 0.02 0.00 0.00 54.97 53.38 1p6t s GLU 117 Cb -0.18 -4.40 -0.03 0.00 0.10 0.00 0.00 34.13 29.62 1p6t s GLU 117 CO 0.07 -1.53 0.25 1.52 0.02 0.00 0.00 175.26 175.59 1p6t s TYR 118 N 2.24 0.87 -0.61 1.61 1.13 -0.62 0.15 117.35 122.12 1p6t s TYR 118 Ca 0.16 -1.14 -0.12 0.00 -1.41 0.00 0.00 57.07 54.56 1p6t s TYR 118 Cb -0.19 -0.29 0.16 0.00 -1.10 0.00 0.00 41.96 40.54 1p6t s TYR 118 CO 0.01 -0.76 0.53 1.21 -2.51 0.00 0.00 175.55 174.03 1p6t s ASN 119 N -3.11 6.12 0.00 -0.18 3.84 0.38 -0.61 114.94 121.38 1p6t s ASN 119 Ca 0.33 -2.21 0.00 0.00 0.21 0.00 0.00 52.86 51.19 1p6t s ASN 119 Cb 0.04 -2.12 0.00 0.00 -0.55 0.00 0.00 41.25 38.63 1p6t s ASN 119 CO 0.11 -0.68 0.80 -0.81 -2.79 0.00 0.00 177.10 173.73 1p6t n PRO 120 N 4.59 0.86 -0.05 0.43 -0.04 -1.26 -2.49 135.00 137.03 1p6t n PRO 120 Ca -0.02 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.34 1p6t n PRO 120 Cb 0.42 -1.12 -0.04 0.00 -0.04 0.00 0.00 33.50 32.72 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 0.50 0.24 0.11 0.54 4.76 -1.26 -4.69 118.16 118.36 1p6t n LYS 121 Ca 0.00 0.09 -0.13 0.00 -2.87 0.00 0.00 58.31 55.40 1p6t n LYS 121 Cb 0.40 -0.95 -0.08 0.00 -1.84 0.00 0.00 35.03 32.55 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 -0.31 -0.27 0.00 1.97 4.39 -1.84 -3.47 114.58 115.05 1p6t h GLU 122 Ca -0.27 0.02 -0.44 0.00 0.34 0.00 0.00 59.36 59.02 1p6t h GLU 122 Cb 1.27 0.06 -0.07 0.00 -0.10 0.00 0.00 28.75 29.90 1p6t h GLU 122 CO -0.14 0.01 -0.30 0.00 -1.16 0.00 0.00 179.01 177.43 1p6t n ALA 123 N -2.37 0.35 -3.44 3.43 0.00 -1.13 -5.02 120.51 112.33 1p6t n ALA 123 Ca -0.09 -1.54 -0.08 0.00 0.00 0.00 0.00 53.44 51.73 1p6t n ALA 123 Cb 0.22 0.80 -0.04 0.00 0.00 0.00 0.00 19.45 20.43 1p6t n ALA 123 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1p6t s SER 124 N -2.95 -0.18 0.28 0.00 1.04 -1.26 -4.31 113.70 106.31 1p6t s SER 124 Ca 0.04 -0.74 0.02 0.00 0.48 0.00 0.00 55.95 55.76 1p6t s SER 124 Cb -0.00 0.64 0.66 0.00 0.10 0.00 0.00 66.02 67.41 1p6t s SER 124 CO 0.03 -1.20 1.72 0.58 0.98 0.00 0.00 173.24 175.35 1p6t h VAL 125 N 2.15 0.57 -0.60 5.02 2.07 -1.99 -1.22 116.25 122.24 1p6t h VAL 125 Ca -0.24 -0.16 0.08 0.00 0.82 0.00 0.00 66.70 67.20 1p6t h VAL 125 Cb 1.25 0.04 -0.06 0.00 -1.52 0.00 0.00 31.29 31.00 1p6t h VAL 125 CO 0.31 0.09 0.26 0.28 0.02 0.00 0.00 177.57 178.53 1p6t h SER 126 N 0.48 0.31 -0.12 0.57 0.02 -1.98 0.13 113.55 112.96 1p6t h SER 126 Ca 0.52 0.06 0.01 0.00 -0.84 0.00 0.00 61.79 61.55 1p6t h SER 126 Cb 0.92 0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.46 1p6t h SER 126 CO -0.47 0.19 0.03 -0.78 -1.14 0.00 0.00 176.83 174.66 1p6t h ASP 127 N 0.47 0.02 -0.26 3.07 3.58 -1.64 0.86 116.42 122.53 1p6t h ASP 127 Ca 0.29 0.02 0.01 0.00 0.42 0.00 0.00 57.03 57.77 1p6t h ASP 127 Cb 0.31 0.02 -0.02 0.00 1.72 0.00 0.00 39.33 41.36 1p6t h ASP 127 CO -0.26 0.03 0.15 -0.07 -2.88 0.00 0.00 179.24 176.21 1p6t h LEU 128 N 0.08 0.24 0.06 2.28 3.38 -1.11 0.65 115.31 120.90 1p6t h LEU 128 Ca 0.05 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.05 1p6t h LEU 128 Cb 0.04 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 1p6t h LEU 128 CO -0.06 0.18 -0.21 0.11 0.09 0.00 0.00 178.44 178.54 1p6t h LYS 129 N 0.31 -0.36 -0.83 1.13 1.57 -0.60 -1.56 116.57 116.23 1p6t h LYS 129 Ca 0.10 0.02 0.17 0.00 -1.87 0.00 0.00 60.65 59.07 1p6t h LYS 129 Cb 0.00 0.08 -0.10 0.00 0.08 0.00 0.00 32.23 32.29 1p6t h LYS 129 CO -0.05 -0.24 0.36 1.49 -0.57 0.00 0.00 179.45 180.44 1p6t h GLU 130 N -0.37 0.47 0.25 3.15 4.22 0.24 0.34 114.58 122.88 1p6t h GLU 130 Ca 0.04 -0.03 -0.01 0.00 0.08 0.00 0.00 59.36 59.44 1p6t h GLU 130 Cb 0.42 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1p6t h GLU 130 CO -0.15 0.31 -0.12 0.00 -2.18 0.00 0.00 179.01 176.87 1p6t h ALA 131 N 1.60 -0.34 0.00 2.92 0.00 -0.63 -1.05 119.26 121.76 1p6t h ALA 131 Ca 0.47 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 55.21 1p6t h ALA 131 Cb 0.76 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1p6t h ALA 131 CO -0.43 -0.64 -0.27 0.28 0.00 0.00 0.00 179.25 178.18 1p6t h VAL 132 N -0.44 1.14 0.07 0.00 2.07 -0.08 -0.62 116.25 118.39 1p6t h VAL 132 Ca -0.03 -0.95 -0.00 0.00 0.82 0.00 0.00 66.70 66.53 1p6t h VAL 132 Cb 0.33 1.52 0.00 0.00 -1.52 0.00 0.00 31.29 31.62 1p6t h VAL 132 CO 0.06 0.27 -0.03 0.44 0.02 0.00 0.00 177.57 178.32 1p6t h ASP 133 N 0.00 -0.08 -0.75 0.57 3.32 -0.24 -0.06 116.42 119.18 1p6t h ASP 133 Ca -0.00 -0.00 0.14 0.00 0.02 0.00 0.00 57.03 57.18 1p6t h ASP 133 Cb 0.50 0.02 -0.09 0.00 0.22 0.00 0.00 39.33 39.98 1p6t h ASP 133 CO 0.04 -0.05 0.30 0.11 -1.72 0.00 0.00 179.24 177.91 1p6t h LYS 134 N -0.10 0.44 0.00 3.56 6.56 -0.04 0.13 116.57 127.11 1p6t h LYS 134 Ca -0.01 -0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.55 1p6t h LYS 134 Cb 0.08 -0.10 0.00 0.00 -0.57 0.00 0.00 32.23 31.64 1p6t h LYS 134 CO 0.02 0.29 0.00 -0.07 -2.06 0.00 0.00 179.45 177.63 1p6t h LEU 135 N 0.45 0.00 0.00 2.94 -0.00 -0.41 -3.46 115.31 114.83 1p6t h LEU 135 Ca 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.29 1p6t h LEU 135 Cb 0.61 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.27 1p6t h LEU 135 CO -0.39 0.00 0.00 0.61 -0.00 0.00 0.00 178.44 178.66 1p6t n GLY 136 N -0.54 1.51 0.00 0.83 0.00 0.44 -5.07 105.19 102.36 1p6t n GLY 136 Ca -0.01 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.82 0.00 -3.98 1.61 4.01 -0.58 -5.01 117.16 111.39 1p6t n TYR 137 Ca 0.00 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.65 1p6t n TYR 137 Cb 0.11 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.04 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 -1.69 0.37 -0.07 -0.72 0.00 -0.71 -3.62 119.74 113.30 1p6t s LYS 138 Ca 0.00 -0.66 -0.08 0.00 0.00 0.00 0.00 55.97 55.22 1p6t s LYS 138 Cb 0.00 0.13 -0.05 0.00 0.00 0.00 0.00 37.83 37.92 1p6t s LYS 138 CO 0.00 -0.07 0.23 -0.51 0.00 0.00 0.00 175.35 175.00 1p6t s LEU 139 N -1.63 4.41 0.38 2.77 1.43 -1.26 -0.99 118.68 123.77 1p6t s LEU 139 Ca -0.13 0.59 0.08 0.00 -1.03 0.00 0.00 54.13 53.64 1p6t s LEU 139 Cb -0.08 -2.32 -0.03 0.00 0.03 0.00 0.00 46.19 43.80 1p6t s LEU 139 CO -0.02 0.36 0.31 -0.54 0.23 0.00 0.00 176.35 176.69 1p6t s LYS 140 N -1.21 2.58 -0.08 1.70 1.02 0.70 -4.95 119.74 119.50 1p6t s LYS 140 Ca 0.20 -1.45 0.03 0.00 0.02 0.00 0.00 55.97 54.76 1p6t s LYS 140 Cb -0.13 -2.38 -0.02 0.00 -0.52 0.00 0.00 37.83 34.78 1p6t s LYS 140 CO 0.09 -0.04 -0.16 -0.51 -0.92 0.00 0.00 175.35 173.81 1p6t s LEU 141 N -4.04 2.61 -0.87 3.17 1.02 -1.26 -0.25 118.68 119.06 1p6t s LEU 141 Ca 0.44 -0.30 -0.25 0.00 0.02 0.00 0.00 54.13 54.04 1p6t s LEU 141 Cb -0.04 -1.54 0.05 0.00 0.02 0.00 0.00 46.19 44.67 1p6t s LEU 141 CO 0.27 0.26 1.33 -0.54 0.02 0.00 0.00 176.35 177.69 1p6t s LYS 142 N -0.21 3.39 0.00 1.70 1.02 -1.08 -4.01 119.74 120.55 1p6t s LYS 142 Ca 0.00 -0.74 0.00 0.00 0.02 0.00 0.00 55.97 55.25 1p6t s LYS 142 Cb -0.13 -4.76 0.00 0.00 -0.52 0.00 0.00 37.83 32.42 1p6t s LYS 142 CO 0.03 -2.14 0.00 0.41 -0.92 0.00 0.00 175.35 172.73 1p6t n GLY 143 N 6.07 1.77 0.56 -3.33 0.00 -1.26 -4.75 105.19 104.26 1p6t n GLY 143 Ca 0.17 -0.22 0.36 0.00 0.00 0.00 0.00 46.02 46.34 1p6t n GLY 143 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1p6t h GLU 144 N 0.00 0.00 0.00 1.61 4.57 -1.91 0.27 114.58 119.11 1p6t h GLU 144 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1p6t h GLU 144 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1p6t h GLU 144 CO 0.00 0.00 -0.46 1.04 -1.18 0.00 0.00 179.01 178.41 1p6t n GLN 145 N -3.78 0.00 0.00 1.92 6.02 -1.26 -4.75 117.38 115.54 1p6t n GLN 145 Ca 0.28 -0.96 0.00 0.00 -0.01 0.00 0.00 57.00 56.31 1p6t n GLN 145 Cb 1.46 -0.50 0.00 0.00 1.02 0.00 0.00 30.24 32.22 1p6t n GLN 145 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1p6t n ASP 146 N 0.00 1.10 -1.57 1.08 2.03 0.26 -4.77 116.55 114.67 1p6t n ASP 146 Ca 0.00 -1.13 -0.04 0.00 0.52 0.00 0.00 54.79 54.14 1p6t n ASP 146 Cb 0.68 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 41.10 1p6t n ASP 146 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1p6t n SER 147 N -0.06 -0.94 0.01 1.67 2.88 0.68 -4.73 113.62 113.13 1p6t n SER 147 Ca 0.00 -1.73 -0.01 0.00 -1.33 0.00 0.00 58.87 55.80 1p6t n SER 147 Cb 0.04 0.37 -0.00 0.00 -0.75 0.00 0.00 64.21 63.86 1p6t n SER 147 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 1p6t h ILE 148 N 3.52 0.00 -1.51 2.46 1.08 -1.84 -3.47 117.51 117.75 1p6t h ILE 148 Ca -0.40 -0.17 -0.47 0.00 -0.39 0.00 0.00 64.86 63.43 1p6t h ILE 148 Cb 1.22 0.00 0.05 0.00 -3.07 0.00 0.00 36.82 35.02 1p6t h ILE 148 CO -0.19 0.00 -0.03 -0.70 -0.69 0.00 0.00 178.15 176.54 1p6t s GLU 149 N -1.62 2.12 -0.11 2.37 -6.30 -1.26 -5.05 118.70 108.84 1p6t s GLU 149 Ca -0.01 -1.34 -0.04 0.00 -2.50 0.00 0.00 54.97 51.08 1p6t s GLU 149 Cb 0.00 -2.52 -0.26 0.00 0.00 0.00 0.00 34.13 31.35 1p6t s GLU 149 CO 0.03 -1.03 0.39 0.41 0.02 0.00 0.00 175.26 175.08 1p6t n GLY 150 N -2.45 -0.60 0.49 -1.50 0.00 -1.26 -5.09 105.19 94.77 1p6t n GLY 150 Ca 0.14 -0.26 0.14 0.00 0.00 0.00 0.00 46.02 46.04 1p6t n GLY 150 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86