#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 -1.61 -3.55 4.03 -0.00 -1.26 -5.15 117.00 109.46 1p6t n LEU 2 Ca 0.00 -2.46 -0.01 0.00 -0.00 0.00 0.00 56.01 53.54 1p6t n LEU 2 Cb 0.00 0.95 -0.06 0.00 -0.00 0.00 0.00 43.42 44.32 1p6t n LEU 2 CO 0.00 1.75 0.65 -0.94 -0.00 0.00 0.00 177.39 178.85 1p6t s SER 3 N -0.57 -0.53 -0.56 1.45 1.04 -1.26 -5.08 113.70 108.18 1p6t s SER 3 Ca 0.21 0.80 0.07 0.00 0.48 0.00 0.00 55.95 57.51 1p6t s SER 3 Cb 0.29 1.39 0.25 0.00 0.10 0.00 0.00 66.02 68.05 1p6t s SER 3 CO -0.15 -0.12 0.67 1.21 0.98 0.00 0.00 173.24 175.83 1p6t n GLU 4 N 4.21 1.95 -2.16 4.02 2.13 -1.26 -5.10 120.64 124.43 1p6t n GLU 4 Ca -0.15 -4.22 -0.38 0.00 0.66 0.00 0.00 57.16 53.07 1p6t n GLU 4 Cb 0.55 -1.94 -0.01 0.00 0.27 0.00 0.00 31.44 30.32 1p6t n GLU 4 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 1p6t s GLN 5 N -2.05 3.86 -0.03 5.31 -1.52 -1.26 -4.24 119.66 119.73 1p6t s GLN 5 Ca 0.38 1.96 0.05 0.00 -1.95 0.00 0.00 55.36 55.79 1p6t s GLN 5 Cb 0.15 -2.59 -0.01 0.00 -0.22 0.00 0.00 33.01 30.34 1p6t s GLN 5 CO -0.05 -0.52 -0.17 -1.59 -0.25 0.00 0.00 175.29 172.72 1p6t s LYS 6 N -2.44 1.60 0.41 2.91 0.00 -0.01 -4.93 119.74 117.27 1p6t s LYS 6 Ca 0.60 -0.61 -0.14 0.00 0.00 0.00 0.00 55.97 55.82 1p6t s LYS 6 Cb -0.33 -1.45 -0.08 0.00 0.00 0.00 0.00 37.83 35.97 1p6t s LYS 6 CO 0.42 0.30 0.83 -1.21 0.00 0.00 0.00 175.35 175.68 1p6t s GLU 7 N -0.15 3.92 -0.06 1.78 8.01 -1.26 -1.97 118.70 128.97 1p6t s GLU 7 Ca 0.01 0.70 -0.03 0.00 0.01 0.00 0.00 54.97 55.66 1p6t s GLU 7 Cb -0.09 -2.32 0.03 0.00 -4.31 0.00 0.00 34.13 27.44 1p6t s GLU 7 CO 0.01 -0.04 0.13 -1.50 0.01 0.00 0.00 175.26 173.87 1p6t s ILE 8 N -2.31 -0.03 -0.19 -1.63 2.07 0.32 -4.97 121.20 114.46 1p6t s ILE 8 Ca 0.55 0.11 -0.00 0.00 -1.41 0.00 0.00 60.65 59.90 1p6t s ILE 8 Cb -0.10 -0.21 0.01 0.00 0.13 0.00 0.00 42.46 42.29 1p6t s ILE 8 CO 0.26 0.04 -0.15 0.00 -1.91 0.00 0.00 174.94 173.18 1p6t s ALA 9 N 0.73 2.48 0.29 1.50 0.00 -1.26 -0.71 121.76 124.79 1p6t s ALA 9 Ca -0.05 -1.17 0.01 0.00 0.00 0.00 0.00 51.96 50.75 1p6t s ALA 9 Cb -0.07 -1.32 -0.02 0.00 0.00 0.00 0.00 23.12 21.70 1p6t s ALA 9 CO -0.03 -0.31 0.29 -1.64 0.00 0.00 0.00 175.76 174.07 1p6t s MET 10 N 1.25 1.61 -0.08 0.00 -1.94 0.27 -3.55 119.30 116.86 1p6t s MET 10 Ca 0.03 -1.79 0.03 0.00 -1.71 0.00 0.00 55.69 52.25 1p6t s MET 10 Cb -0.14 0.34 -0.02 0.00 2.01 0.00 0.00 34.83 37.03 1p6t s MET 10 CO -0.08 -0.60 -0.16 -1.14 -0.01 0.00 0.00 175.02 173.03 1p6t s GLN 11 N -3.62 2.79 -0.04 2.03 0.74 -1.26 -0.06 119.66 120.23 1p6t s GLN 11 Ca 0.37 -0.73 -0.04 0.00 0.05 0.00 0.00 55.36 55.01 1p6t s GLN 11 Cb 0.03 -2.42 0.01 0.00 1.10 0.00 0.00 33.01 31.74 1p6t s GLN 11 CO 0.20 0.45 0.11 0.54 -0.55 0.00 0.00 175.29 176.05 1p6t s VAL 12 N -0.29 -0.01 0.39 1.34 0.11 -1.25 -0.97 120.40 119.71 1p6t s VAL 12 Ca 0.02 0.03 0.08 0.00 -2.93 0.00 0.00 61.98 59.17 1p6t s VAL 12 Cb -0.13 -0.17 -0.02 0.00 -1.53 0.00 0.00 36.38 34.53 1p6t s VAL 12 CO 0.03 0.01 0.37 -0.44 -3.33 0.00 0.00 175.10 171.74 1p6t s SER 13 N 0.23 5.21 0.00 3.54 0.01 0.35 -4.50 113.70 118.53 1p6t s SER 13 Ca -0.01 -0.62 0.00 0.00 1.31 0.00 0.00 55.95 56.63 1p6t s SER 13 Cb -0.02 -0.73 0.00 0.00 0.21 0.00 0.00 66.02 65.47 1p6t s SER 13 CO -0.01 -0.56 0.00 0.61 0.41 0.00 0.00 173.24 173.70 1p6t n GLY 14 N -1.52 3.20 3.56 3.44 0.00 -1.26 -3.13 105.19 109.48 1p6t n GLY 14 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.44 2.54 0.37 1.61 1.00 -1.26 -4.81 119.30 118.31 1p6t s MET 15 Ca 0.00 1.20 0.26 0.00 0.00 0.00 0.00 55.69 57.16 1p6t s MET 15 Cb 0.00 -4.45 1.31 0.00 0.00 0.00 0.00 34.83 31.70 1p6t s MET 15 CO 0.00 -2.79 1.80 1.15 0.00 0.00 0.00 175.02 175.18 1p6t h THR 16 N 7.25 0.00 0.00 2.05 2.02 -1.94 -3.46 112.91 118.82 1p6t h THR 16 Ca -0.28 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 66.80 1p6t h THR 16 Cb 1.22 0.76 0.00 0.00 -1.74 0.00 0.00 68.15 68.39 1p6t h THR 16 CO 1.14 0.00 0.00 0.00 0.37 0.00 0.00 175.52 177.03 1p6t s ALA 18 N -2.28 -0.19 0.00 0.00 0.00 -1.26 -4.93 121.76 113.09 1p6t s ALA 18 Ca 0.00 0.60 0.00 0.00 0.00 0.00 0.00 51.96 52.56 1p6t s ALA 18 Cb 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 23.12 22.71 1p6t s ALA 18 CO 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 175.76 175.62 1p6t n ALA 19 N 4.17 0.00 0.39 0.00 0.00 -1.26 -4.58 120.51 119.23 1p6t n ALA 19 Ca -0.26 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.00 1p6t n ALA 19 Cb 0.51 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.88 1p6t n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1p6t h ALA 21 N -0.80 0.11 -0.96 0.00 0.00 -1.92 -1.29 119.26 114.41 1p6t h ALA 21 Ca -0.10 0.11 0.04 0.00 0.00 0.00 0.00 54.91 54.95 1p6t h ALA 21 Cb 0.76 0.29 -0.06 0.00 0.00 0.00 0.00 17.79 18.79 1p6t h ALA 21 CO 0.16 -0.52 0.63 0.00 0.00 0.00 0.00 179.25 179.53 1p6t h ALA 22 N 1.17 1.38 -0.31 0.00 0.00 -1.84 -0.16 119.26 119.50 1p6t h ALA 22 Ca 0.14 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1p6t h ALA 22 Cb 0.29 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1p6t h ALA 22 CO -0.32 0.52 0.21 0.00 0.00 0.00 0.00 179.25 179.65 1p6t h ARG 23 N 1.21 0.41 0.87 0.00 2.47 0.42 0.13 114.38 119.89 1p6t h ARG 23 Ca 0.38 -0.03 -0.04 0.00 -1.26 0.00 0.00 59.98 59.03 1p6t h ARG 23 Cb 0.01 -0.09 0.00 0.00 -1.65 0.00 0.00 29.97 28.24 1p6t h ARG 23 CO -0.12 0.28 -0.46 0.82 0.56 0.00 0.00 179.97 181.04 1p6t h ILE 24 N 0.43 0.06 -0.85 2.04 2.04 -0.34 0.58 117.51 121.47 1p6t h ILE 24 Ca 0.11 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.03 1p6t h ILE 24 Cb -0.05 0.06 -0.06 0.00 -0.74 0.00 0.00 36.82 36.03 1p6t h ILE 24 CO -0.02 0.00 0.52 -0.33 0.00 0.00 0.00 178.15 178.32 1p6t h GLU 25 N -1.23 0.93 -0.26 2.37 4.39 -0.88 0.28 114.58 120.18 1p6t h GLU 25 Ca -0.12 -0.06 0.04 0.00 0.34 0.00 0.00 59.36 59.56 1p6t h GLU 25 Cb 0.96 -0.21 -0.03 0.00 -0.10 0.00 0.00 28.75 29.37 1p6t h GLU 25 CO 0.17 0.62 0.05 -0.22 -1.16 0.00 0.00 179.01 178.47 1p6t h LYS 26 N 0.96 0.15 -0.22 2.33 3.64 -0.70 0.21 116.57 122.95 1p6t h LYS 26 Ca 0.37 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.77 1p6t h LYS 26 Cb 0.16 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.91 1p6t h LYS 26 CO -0.17 0.10 0.01 0.78 -2.27 0.00 0.00 179.45 177.91 1p6t h GLY 27 N 0.16 0.22 1.38 5.01 0.00 0.15 -2.53 103.07 107.46 1p6t h GLY 27 Ca 0.12 0.01 -0.06 0.00 0.00 0.00 0.00 47.33 47.40 1p6t h GLY 27 CO -0.16 -0.03 0.06 1.41 0.00 0.00 0.00 176.54 177.82 1p6t h LEU 28 N 0.09 0.72 -1.72 3.11 -0.00 -0.28 -0.94 115.31 116.29 1p6t h LEU 28 Ca 0.10 -0.15 0.00 0.00 -0.00 0.00 0.00 57.88 57.83 1p6t h LEU 28 Cb 0.12 -0.19 0.00 0.00 -0.00 0.00 0.00 40.66 40.59 1p6t h LEU 28 CO -0.16 0.76 0.36 0.50 -0.00 0.00 0.00 178.44 179.89 1p6t h LYS 29 N 0.73 0.00 0.00 1.13 1.63 -0.15 0.04 116.57 119.95 1p6t h LYS 29 Ca 0.15 0.00 -0.05 0.00 -0.85 0.00 0.00 60.65 59.90 1p6t h LYS 29 Cb 0.37 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.99 1p6t h LYS 29 CO 0.01 0.00 -0.25 -0.09 -3.45 0.00 0.00 179.45 175.66 1p6t h ARG 30 N 0.00 0.00 -6.68 1.90 2.43 -1.03 -3.46 114.38 107.54 1p6t h ARG 30 Ca 0.00 0.00 -0.50 0.00 -0.81 0.00 0.00 59.98 58.67 1p6t h ARG 30 Cb 0.71 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.25 1p6t h ARG 30 CO 0.00 0.25 0.37 -1.64 -1.51 0.00 0.00 179.97 177.44 1p6t s MET 31 N -3.96 4.78 0.09 0.20 -1.94 -0.00 -4.99 119.30 113.48 1p6t s MET 31 Ca -0.02 1.50 -0.18 0.00 -1.71 0.00 0.00 55.69 55.29 1p6t s MET 31 Cb 0.12 -3.31 -0.08 0.00 2.01 0.00 0.00 34.83 33.58 1p6t s MET 31 CO 0.65 0.37 1.50 -1.00 -0.01 0.00 0.00 175.02 176.53 1p6t h PRO 32 N 4.71 0.51 0.00 2.03 0.13 -1.88 -2.66 132.00 134.84 1p6t h PRO 32 Ca -0.44 -0.19 0.00 0.00 -0.87 0.00 0.00 66.00 64.50 1p6t h PRO 32 Cb 1.21 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1p6t h PRO 32 CO 0.70 0.71 0.00 0.41 -0.23 0.00 0.00 178.00 179.58 1p6t n GLY 33 N -0.21 -1.08 3.67 1.56 0.00 -1.26 -4.70 105.19 103.16 1p6t n GLY 33 Ca -0.03 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 1p6t n GLY 33 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1p6t s VAL 34 N -3.10 3.80 -0.20 1.61 0.11 -1.00 -0.19 120.40 121.43 1p6t s VAL 34 Ca 0.06 1.04 -0.21 0.00 -2.93 0.00 0.00 61.98 59.93 1p6t s VAL 34 Cb 0.09 -3.67 -0.18 0.00 -1.53 0.00 0.00 36.38 31.09 1p6t s VAL 34 CO 0.30 -0.07 0.24 0.74 -3.33 0.00 0.00 175.10 172.98 1p6t h THR 35 N 5.37 0.93 -1.60 5.04 2.02 -1.15 -3.48 112.91 120.05 1p6t h THR 35 Ca -0.35 -2.10 -0.09 0.00 0.77 0.00 0.00 66.41 64.63 1p6t h THR 35 Cb 1.16 2.15 -0.27 0.00 -1.74 0.00 0.00 68.15 69.45 1p6t h THR 35 CO 0.95 0.31 -0.44 -0.62 0.37 0.00 0.00 175.52 176.09 1p6t s ASP 36 N -6.70 -0.21 -0.25 4.18 -1.08 0.11 -5.02 116.67 107.70 1p6t s ASP 36 Ca -0.27 0.23 -0.17 0.00 -0.52 0.00 0.00 52.55 51.82 1p6t s ASP 36 Cb 0.05 1.41 -0.03 0.00 -1.46 0.00 0.00 42.92 42.88 1p6t s ASP 36 CO 0.57 -0.30 0.48 0.00 0.52 0.00 0.00 175.17 176.43 1p6t s ALA 37 N 2.63 3.58 0.24 3.66 0.00 -1.26 -0.61 121.76 130.00 1p6t s ALA 37 Ca 0.14 -0.62 0.01 0.00 0.00 0.00 0.00 51.96 51.49 1p6t s ALA 37 Cb -0.14 -2.83 -0.04 0.00 0.00 0.00 0.00 23.12 20.11 1p6t s ALA 37 CO -0.21 -0.66 0.18 -0.80 0.00 0.00 0.00 175.76 174.27 1p6t s ASN 38 N 1.49 0.61 -0.24 0.00 0.01 0.26 -4.91 114.94 112.16 1p6t s ASN 38 Ca 0.20 -1.50 -0.08 0.00 -0.71 0.00 0.00 52.86 50.77 1p6t s ASN 38 Cb -0.16 0.44 0.11 0.00 0.41 0.00 0.00 41.25 42.05 1p6t s ASN 38 CO 0.09 -0.91 0.52 0.54 -1.51 0.00 0.00 177.10 175.82 1p6t s VAL 39 N -3.94 -0.76 -1.39 1.60 0.11 -1.26 -0.32 120.40 114.44 1p6t s VAL 39 Ca 0.39 0.10 -0.15 0.00 -2.93 0.00 0.00 61.98 59.39 1p6t s VAL 39 Cb 0.05 -0.80 0.06 0.00 -1.53 0.00 0.00 36.38 34.16 1p6t s VAL 39 CO 0.17 0.04 2.02 0.59 -3.33 0.00 0.00 175.10 174.59 1p6t n ASN 40 N 5.37 4.33 -0.18 3.54 4.13 0.89 -4.72 115.26 128.63 1p6t n ASN 40 Ca -0.10 -2.89 0.26 0.00 1.68 0.00 0.00 54.58 53.53 1p6t n ASN 40 Cb 0.50 -1.68 0.67 0.00 -1.54 0.00 0.00 39.78 37.73 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 10.69 0.09 -1.80 3.41 8.10 -1.93 0.10 115.31 133.98 1p6t h LEU 41 Ca 0.51 0.01 0.05 0.00 0.11 0.00 0.00 57.88 58.57 1p6t h LEU 41 Cb 0.72 -0.01 -0.02 0.00 -0.44 0.00 0.00 40.66 40.92 1p6t h LEU 41 CO 1.71 0.03 0.24 0.00 -4.11 0.00 0.00 178.44 176.32 1p6t h ALA 42 N 1.58 2.02 0.00 0.17 0.00 -1.94 -0.34 119.26 120.75 1p6t h ALA 42 Ca 0.42 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.32 1p6t h ALA 42 Cb 1.54 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.27 1p6t h ALA 42 CO -0.05 -0.08 -0.25 0.25 0.00 0.00 0.00 179.25 179.12 1p6t n THR 43 N -4.48 2.03 -4.23 0.00 -2.24 -0.06 -5.01 114.28 100.28 1p6t n THR 43 Ca 0.04 -2.73 -0.35 0.00 -2.27 0.00 0.00 64.05 58.74 1p6t n THR 43 Cb 0.24 -0.23 -0.06 0.00 -2.10 0.00 0.00 70.33 68.18 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 -1.27 -0.86 -3.83 -0.78 1.02 0.17 -4.94 120.64 110.14 1p6t n GLU 44 Ca 0.17 0.10 -0.29 0.00 -0.02 0.00 0.00 57.16 57.12 1p6t n GLU 44 Cb 0.67 -3.33 -0.16 0.00 -0.02 0.00 0.00 31.44 28.60 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 -4.12 1.06 -0.08 2.62 2.01 -0.20 -3.89 115.64 113.04 1p6t s THR 45 Ca 0.14 -1.01 -0.27 0.00 0.31 0.00 0.00 61.69 60.86 1p6t s THR 45 Cb -0.08 -1.50 -0.03 0.00 0.01 0.00 0.00 72.50 70.91 1p6t s THR 45 CO 0.99 -0.23 0.85 0.54 -0.69 0.00 0.00 174.62 176.08 1p6t s VAL 46 N 1.59 4.92 -0.26 3.82 0.11 0.91 -0.07 120.40 131.42 1p6t s VAL 46 Ca -0.01 1.75 0.01 0.00 -2.93 0.00 0.00 61.98 60.79 1p6t s VAL 46 Cb -0.18 -4.18 0.07 0.00 -1.53 0.00 0.00 36.38 30.56 1p6t s VAL 46 CO -0.09 0.13 -0.01 0.20 -3.33 0.00 0.00 175.10 172.00 1p6t s ASN 47 N 0.99 4.00 -0.09 3.54 0.01 0.56 -0.57 114.94 123.39 1p6t s ASN 47 Ca 0.43 -1.41 0.03 0.00 -0.71 0.00 0.00 52.86 51.20 1p6t s ASN 47 Cb -0.18 -1.18 -0.01 0.00 0.41 0.00 0.00 41.25 40.29 1p6t s ASN 47 CO 0.19 -0.29 -0.19 -0.69 -1.51 0.00 0.00 177.10 174.61 1p6t s VAL 48 N 1.37 2.56 -0.17 1.60 1.01 0.11 -0.57 120.40 126.32 1p6t s VAL 48 Ca -0.00 -0.86 0.01 0.00 0.00 0.00 0.00 61.98 61.13 1p6t s VAL 48 Cb -0.19 -2.01 0.02 0.00 0.00 0.00 0.00 36.38 34.20 1p6t s VAL 48 CO -0.10 0.56 -0.19 -0.63 0.00 0.00 0.00 175.10 174.73 1p6t s ILE 49 N 0.04 1.99 0.30 2.22 1.01 0.22 -0.52 121.20 126.45 1p6t s ILE 49 Ca -0.07 -0.90 -0.14 0.00 0.00 0.00 0.00 60.65 59.53 1p6t s ILE 49 Cb -0.15 -1.80 0.02 0.00 0.01 0.00 0.00 42.46 40.54 1p6t s ILE 49 CO 0.05 0.53 0.62 -0.72 0.00 0.00 0.00 174.94 175.42 1p6t s TYR 50 N 1.24 0.25 -0.19 3.97 -0.85 -0.83 -0.63 117.35 120.31 1p6t s TYR 50 Ca 0.03 -0.69 -0.20 0.00 -0.52 0.00 0.00 57.07 55.69 1p6t s TYR 50 Cb -0.13 0.44 -0.03 0.00 0.38 0.00 0.00 41.96 42.62 1p6t s TYR 50 CO -0.11 -1.21 0.59 0.34 -1.52 0.00 0.00 175.55 173.64 1p6t s ASP 51 N -3.03 6.66 0.00 -0.18 -1.08 0.74 -0.83 116.67 118.94 1p6t s ASP 51 Ca 0.19 0.80 0.00 0.00 -0.52 0.00 0.00 52.55 53.01 1p6t s ASP 51 Cb -0.03 -2.33 0.00 0.00 -1.46 0.00 0.00 42.92 39.10 1p6t s ASP 51 CO 0.11 -0.23 1.12 -0.81 0.52 0.00 0.00 175.17 175.88 1p6t n PRO 52 N 4.87 0.83 -0.71 4.34 -0.04 -1.26 -3.06 135.00 139.97 1p6t n PRO 52 Ca -0.03 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.42 1p6t n PRO 52 Cb 0.50 -1.09 -0.02 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 0.94 2.46 0.00 0.55 0.00 -1.26 -4.92 120.51 118.28 1p6t n ALA 53 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 52.90 1p6t n ALA 53 Cb 0.41 -0.23 0.00 0.00 0.00 0.00 0.00 19.45 19.63 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 0.04 0.00 0.00 0.00 1.02 -1.17 -5.07 120.64 115.46 1p6t n GLU 54 Ca -0.06 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.08 1p6t n GLU 54 Cb 0.64 -0.08 0.00 0.00 -0.02 0.00 0.00 31.44 31.97 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 -2.58 0.00 0.00 2.62 -1.04 -1.22 -4.87 114.28 107.18 1p6t n THR 55 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1p6t n THR 55 Cb 0.08 -0.71 0.00 0.00 -1.82 0.00 0.00 70.33 67.88 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 3.03 3.38 0.32 3.41 0.00 -1.26 -4.68 105.19 109.39 1p6t n GLY 56 Ca 0.00 -1.19 0.20 0.00 0.00 0.00 0.00 46.02 45.04 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 0.17 -0.77 2.61 1.03 -1.93 0.44 112.91 114.47 1p6t h THR 57 Ca 0.00 -0.05 -0.02 0.00 -0.01 0.00 0.00 66.41 66.33 1p6t h THR 57 Cb 0.00 0.02 -0.04 0.00 -1.07 0.00 0.00 68.15 67.06 1p6t h THR 57 CO 0.00 0.03 0.39 0.00 -0.01 0.00 0.00 175.52 175.92 1p6t h ALA 58 N 1.89 1.23 -0.22 0.00 0.00 -1.92 -1.57 119.26 118.68 1p6t h ALA 58 Ca 0.67 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 55.35 1p6t h ALA 58 Cb 1.53 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1p6t h ALA 58 CO -0.73 0.60 -0.28 0.00 0.00 0.00 0.00 179.25 178.84 1p6t h ALA 59 N 1.34 1.12 0.21 0.00 0.00 -0.42 0.14 119.26 121.66 1p6t h ALA 59 Ca 0.27 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1p6t h ALA 59 Cb 0.08 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1p6t h ALA 59 CO -0.04 0.55 -0.13 0.82 0.00 0.00 0.00 179.25 180.46 1p6t h ILE 60 N 0.37 0.73 -0.65 0.00 1.08 -0.62 0.13 117.51 118.54 1p6t h ILE 60 Ca 0.05 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.50 1p6t h ILE 60 Cb 0.68 0.73 -0.03 0.00 -3.07 0.00 0.00 36.82 35.13 1p6t h ILE 60 CO 0.05 0.00 0.30 0.06 -0.69 0.00 0.00 178.15 177.87 1p6t h GLN 61 N -0.33 0.94 -0.89 2.37 3.07 -1.19 -2.14 115.11 116.95 1p6t h GLN 61 Ca -0.02 -0.15 0.16 0.00 0.09 0.00 0.00 58.65 58.73 1p6t h GLN 61 Cb 0.27 -0.17 -0.10 0.00 0.08 0.00 0.00 27.48 27.57 1p6t h GLN 61 CO 0.02 0.76 0.47 1.49 0.09 0.00 0.00 178.83 181.66 1p6t h GLU 62 N 0.90 0.62 -0.18 0.06 4.22 -0.31 0.04 114.58 119.93 1p6t h GLU 62 Ca 0.22 -0.04 -0.04 0.00 0.08 0.00 0.00 59.36 59.59 1p6t h GLU 62 Cb 0.14 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1p6t h GLU 62 CO -0.03 0.41 -0.03 0.87 -2.18 0.00 0.00 179.01 178.05 1p6t h LYS 63 N 0.64 0.34 -0.47 1.92 1.79 -0.11 0.16 116.57 120.84 1p6t h LYS 63 Ca 0.49 -0.12 0.09 0.00 -2.18 0.00 0.00 60.65 58.94 1p6t h LYS 63 Cb 0.73 -0.02 -0.09 0.00 -1.58 0.00 0.00 32.23 31.27 1p6t h LYS 63 CO -0.38 0.59 -0.15 0.82 -1.08 0.00 0.00 179.45 179.25 1p6t h ILE 64 N 0.06 0.47 0.18 1.86 2.04 -0.90 0.18 117.51 121.40 1p6t h ILE 64 Ca 0.05 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.90 1p6t h ILE 64 Cb 0.46 0.47 0.00 0.00 -0.74 0.00 0.00 36.82 37.01 1p6t h ILE 64 CO 0.02 0.00 -0.09 -0.33 0.00 0.00 0.00 178.15 177.75 1p6t h GLU 65 N -0.04 -0.24 -0.63 2.37 5.08 -0.55 -2.47 114.58 118.10 1p6t h GLU 65 Ca 0.22 0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.65 1p6t h GLU 65 Cb 0.39 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.66 1p6t h GLU 65 CO -0.50 -0.11 0.42 0.87 -1.00 0.00 0.00 179.01 178.68 1p6t h LYS 66 N -0.30 0.67 0.00 2.33 6.56 -0.37 0.11 116.57 125.57 1p6t h LYS 66 Ca -0.03 -0.04 0.00 0.00 -1.06 0.00 0.00 60.65 59.52 1p6t h LYS 66 Cb 0.23 -0.15 0.00 0.00 -0.57 0.00 0.00 32.23 31.74 1p6t h LYS 66 CO 0.04 0.45 0.00 1.28 -2.06 0.00 0.00 179.45 179.16 1p6t n LEU 67 N -4.47 0.57 -0.02 2.94 4.77 0.60 -4.86 117.00 116.53 1p6t n LEU 67 Ca 0.08 0.71 0.00 0.00 -0.03 0.00 0.00 56.01 56.78 1p6t n LEU 67 Cb 0.18 -0.72 0.00 0.00 -2.33 0.00 0.00 43.42 40.55 1p6t n LEU 67 CO 0.34 -0.78 0.00 0.61 -1.33 0.00 0.00 177.39 176.23 1p6t n GLY 68 N -0.82 0.99 3.54 -0.72 0.00 0.37 -5.08 105.19 103.47 1p6t n GLY 68 Ca -0.00 -0.03 -0.26 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.04 1.81 -0.03 1.61 1.51 -1.01 -4.98 117.35 114.22 1p6t s TYR 69 Ca 0.00 -1.22 -0.02 0.00 -1.01 0.00 0.00 57.07 54.82 1p6t s TYR 69 Cb 0.00 -1.23 0.01 0.00 -0.11 0.00 0.00 41.96 40.63 1p6t s TYR 69 CO 0.00 -0.21 0.07 -1.01 -1.11 0.00 0.00 175.55 173.29 1p6t s HIS 70 N -3.17 -0.08 0.04 2.71 3.76 -1.18 -4.24 115.29 113.13 1p6t s HIS 70 Ca 0.22 0.19 -0.19 0.00 -0.15 0.00 0.00 55.06 55.14 1p6t s HIS 70 Cb 0.03 0.02 -0.06 0.00 1.11 0.00 0.00 32.58 33.68 1p6t s HIS 70 CO 0.13 -0.04 0.54 0.14 -0.85 0.00 0.00 174.74 174.66 1p6t s VAL 71 N 0.06 4.83 -1.30 -0.90 -7.23 -1.26 -0.50 120.40 114.10 1p6t s VAL 71 Ca -0.00 1.14 -0.07 0.00 -1.81 0.00 0.00 61.98 61.24 1p6t s VAL 71 Cb -0.01 -3.86 0.15 0.00 0.56 0.00 0.00 36.38 33.21 1p6t s VAL 71 CO 0.00 0.53 2.12 0.52 -0.31 0.00 0.00 175.10 177.96 1p6t n VAL 72 N 1.96 4.82 -4.45 1.32 0.31 -0.15 -4.90 118.33 117.25 1p6t n VAL 72 Ca -0.10 -4.40 -0.21 0.00 -0.01 0.00 0.00 64.34 59.62 1p6t n VAL 72 Cb 0.51 -2.21 -0.16 0.00 -0.91 0.00 0.00 33.84 31.07 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 -0.47 0.88 -0.08 2.52 2.01 -1.26 -4.55 115.64 114.69 1p6t s THR 73 Ca 0.47 -0.40 0.04 0.00 0.31 0.00 0.00 61.69 62.11 1p6t s THR 73 Cb 0.14 -0.78 -0.01 0.00 0.01 0.00 0.00 72.50 71.86 1p6t s THR 73 CO -0.04 0.27 -0.22 -1.61 -0.69 0.00 0.00 174.62 172.34 1p6t s GLU 74 N 0.27 2.85 -1.24 4.92 0.41 -1.08 -4.91 118.70 119.91 1p6t s GLU 74 Ca -0.05 -0.84 -0.17 0.00 -0.41 0.00 0.00 54.97 53.50 1p6t s GLU 74 Cb -0.10 -2.31 0.11 0.00 -1.78 0.00 0.00 34.13 30.05 1p6t s GLU 74 CO 0.01 0.31 1.59 -1.59 -0.49 0.00 0.00 175.26 175.09 1p6t s LYS 75 N 0.03 3.99 0.63 1.61 -2.85 -1.26 -2.91 119.74 118.98 1p6t s LYS 75 Ca -0.08 -2.16 -0.09 0.00 -1.00 0.00 0.00 55.97 52.63 1p6t s LYS 75 Cb -0.15 -5.33 -0.00 0.00 -2.06 0.00 0.00 37.83 30.28 1p6t s LYS 75 CO 0.05 -2.06 0.99 0.00 0.10 0.00 0.00 175.35 174.44 1p6t s ALA 76 N 3.23 3.11 -0.16 0.59 0.00 0.21 -4.88 121.76 123.85 1p6t s ALA 76 Ca 0.49 -0.41 0.00 0.00 0.00 0.00 0.00 51.96 52.04 1p6t s ALA 76 Cb 0.01 -2.87 0.03 0.00 0.00 0.00 0.00 23.12 20.29 1p6t s ALA 76 CO 0.03 -0.86 -0.12 -1.21 0.00 0.00 0.00 175.76 173.60 1p6t s GLU 77 N -5.15 2.16 0.20 0.00 2.02 -1.26 -0.35 118.70 116.32 1p6t s GLU 77 Ca 0.55 -0.64 0.06 0.00 0.02 0.00 0.00 54.97 54.96 1p6t s GLU 77 Cb -0.11 -2.19 -0.04 0.00 0.10 0.00 0.00 34.13 31.90 1p6t s GLU 77 CO 0.50 -0.31 0.18 -0.06 0.02 0.00 0.00 175.26 175.59 1p6t s PHE 78 N 1.47 3.16 0.21 1.61 0.40 0.28 -1.71 117.98 123.40 1p6t s PHE 78 Ca 0.03 -0.05 0.06 0.00 -0.60 0.00 0.00 56.93 56.37 1p6t s PHE 78 Cb -0.14 -1.48 -0.04 0.00 0.51 0.00 0.00 43.02 41.87 1p6t s PHE 78 CO -0.10 0.52 0.14 0.34 0.70 0.00 0.00 175.22 176.82 1p6t s ASP 79 N -3.43 5.42 -0.01 1.36 -1.08 0.64 -0.41 116.67 119.15 1p6t s ASP 79 Ca 0.32 -0.22 0.05 0.00 -0.52 0.00 0.00 52.55 52.18 1p6t s ASP 79 Cb -0.09 -1.37 -0.01 0.00 -1.46 0.00 0.00 42.92 39.99 1p6t s ASP 79 CO 0.24 0.02 -0.16 -0.63 0.52 0.00 0.00 175.17 175.17 1p6t s ILE 80 N -1.93 1.29 -0.37 4.11 1.01 0.02 -0.29 121.20 125.04 1p6t s ILE 80 Ca 0.31 -0.70 0.00 0.00 0.00 0.00 0.00 60.65 60.27 1p6t s ILE 80 Cb -0.09 -1.08 0.12 0.00 0.01 0.00 0.00 42.46 41.43 1p6t s ILE 80 CO 0.23 0.37 0.17 -1.83 0.00 0.00 0.00 174.94 173.88 1p6t s GLU 81 N -0.37 0.86 0.00 2.79 1.03 -1.02 -4.82 118.70 117.17 1p6t s GLU 81 Ca 0.06 -1.44 0.00 0.00 0.03 0.00 0.00 54.97 53.62 1p6t s GLU 81 Cb -0.06 -1.93 0.00 0.00 -0.80 0.00 0.00 34.13 31.33 1p6t s GLU 81 CO -0.01 -1.10 0.00 0.41 -1.33 0.00 0.00 175.26 173.24 1p6t n GLY 82 N 4.22 -0.17 3.53 -3.83 0.00 -1.26 -3.60 105.19 104.08 1p6t n GLY 82 Ca 0.04 0.01 -0.25 0.00 0.00 0.00 0.00 46.02 45.83 1p6t n GLY 82 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1p6t n MET 83 N -1.89 0.38 -0.31 1.61 0.00 -1.26 -4.81 117.12 110.85 1p6t n MET 83 Ca 0.00 -0.29 0.15 0.00 0.00 0.00 0.00 57.70 57.56 1p6t n MET 83 Cb 0.00 -2.46 0.39 0.00 0.00 0.00 0.00 33.22 31.15 1p6t n MET 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1p6t h THR 84 N 7.54 0.73 0.00 1.12 1.03 -2.00 -3.43 112.91 117.89 1p6t h THR 84 Ca -0.04 -0.22 0.00 0.00 -0.01 0.00 0.00 66.41 66.13 1p6t h THR 84 Cb 1.14 0.02 0.00 0.00 -1.07 0.00 0.00 68.15 68.24 1p6t h THR 84 CO 1.29 0.12 0.00 0.00 -0.01 0.00 0.00 175.52 176.92 1p6t n ALA 86 N -2.60 0.00 0.00 0.00 0.00 -1.26 -5.00 120.51 111.65 1p6t n ALA 86 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1p6t n ALA 86 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -3.00 0.00 0.03 0.00 0.00 -1.26 -4.52 120.51 111.76 1p6t n ALA 87 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 1p6t n ALA 87 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 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 1.02 1.79 0.36 0.00 0.00 -1.96 0.29 119.26 120.75 1p6t h ALA 89 Ca 0.02 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1p6t h ALA 89 Cb 0.05 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1p6t h ALA 89 CO -0.05 0.05 -0.17 -0.97 0.00 0.00 0.00 179.25 178.11 1p6t h ASN 90 N 0.68 -0.41 0.14 0.00 -0.73 -1.52 -0.25 115.58 113.50 1p6t h ASN 90 Ca 0.34 -0.11 0.02 0.00 1.87 0.00 0.00 56.30 58.42 1p6t h ASN 90 Cb 0.44 0.10 -0.04 0.00 0.27 0.00 0.00 38.32 39.09 1p6t h ASN 90 CO -0.12 -0.11 -0.32 0.03 -0.37 0.00 0.00 177.43 176.54 1p6t h ARG 91 N -0.72 -0.54 -0.73 6.67 2.47 -0.28 -0.69 114.38 120.55 1p6t h ARG 91 Ca -0.05 0.04 -0.00 0.00 -1.26 0.00 0.00 59.98 58.71 1p6t h ARG 91 Cb 0.50 0.12 -0.04 0.00 -1.65 0.00 0.00 29.97 28.90 1p6t h ARG 91 CO 0.08 -0.36 0.45 -0.84 0.56 0.00 0.00 179.97 179.87 1p6t h ILE 92 N -0.56 1.20 0.66 2.04 -0.00 -1.00 -1.44 117.51 118.41 1p6t h ILE 92 Ca 0.03 -0.42 -0.03 0.00 -0.00 0.00 0.00 64.86 64.43 1p6t h ILE 92 Cb 0.58 0.15 0.00 0.00 -0.00 0.00 0.00 36.82 37.56 1p6t h ILE 92 CO -0.17 0.21 -0.35 -0.08 -0.00 0.00 0.00 178.15 177.76 1p6t h GLU 93 N 1.00 -0.89 -0.44 0.16 4.81 -0.49 0.21 114.58 118.95 1p6t h GLU 93 Ca 0.27 0.06 0.12 0.00 -0.13 0.00 0.00 59.36 59.67 1p6t h GLU 93 Cb -0.06 0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 1p6t h GLU 93 CO -0.05 -0.59 0.31 0.87 -0.73 0.00 0.00 179.01 178.82 1p6t h LYS 94 N -0.92 0.05 0.07 1.92 6.56 -1.00 0.94 116.57 124.19 1p6t h LYS 94 Ca -0.09 -0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.49 1p6t h LYS 94 Cb 0.72 -0.01 0.00 0.00 -0.57 0.00 0.00 32.23 32.37 1p6t h LYS 94 CO 0.13 0.03 -0.03 0.00 -2.06 0.00 0.00 179.45 177.52 1p6t h ARG 95 N 0.05 -0.09 -0.93 3.15 2.47 -1.06 -3.37 114.38 114.60 1p6t h ARG 95 Ca 0.21 0.01 0.27 0.00 -1.26 0.00 0.00 59.98 59.20 1p6t h ARG 95 Cb 0.77 0.02 -0.15 0.00 -1.65 0.00 0.00 29.97 28.96 1p6t h ARG 95 CO -0.01 -0.06 0.34 -0.07 0.56 0.00 0.00 179.97 180.72 1p6t h LEU 96 N -0.22 0.15 -0.73 3.04 3.38 -0.14 -0.02 115.31 120.77 1p6t h LEU 96 Ca -0.01 0.20 0.27 0.00 0.09 0.00 0.00 57.88 58.43 1p6t h LEU 96 Cb 0.07 0.24 -0.13 0.00 0.09 0.00 0.00 40.66 40.93 1p6t h LEU 96 CO 0.02 -0.17 0.26 -3.20 0.09 0.00 0.00 178.44 175.44 1p6t n ASN 97 N -5.19 0.14 -2.80 -0.43 2.85 0.28 -3.16 115.26 106.95 1p6t n ASN 97 Ca 0.25 1.22 -0.06 0.00 -0.11 0.00 0.00 54.58 55.87 1p6t n ASN 97 Cb 0.80 -0.54 0.01 0.00 1.24 0.00 0.00 39.78 41.29 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 -4.76 0.56 0.04 1.20 2.85 -0.06 -4.53 118.16 113.46 1p6t n LYS 98 Ca 0.24 -2.07 -0.02 0.00 -1.05 0.00 0.00 58.31 55.41 1p6t n LYS 98 Cb 0.81 -1.48 -0.01 0.00 -0.65 0.00 0.00 35.03 33.70 1p6t n LYS 98 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 177.40 178.17 1p6t h ILE 99 N 4.58 0.00 0.00 0.58 1.08 -1.39 -3.48 117.51 118.88 1p6t h ILE 99 Ca 0.04 -0.05 0.00 0.00 -0.39 0.00 0.00 64.86 64.46 1p6t h ILE 99 Cb 1.08 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.83 1p6t h ILE 99 CO 0.09 0.00 0.00 -0.62 -0.69 0.00 0.00 178.15 176.93 1p6t n GLU 100 N -2.44 0.00 -1.22 2.37 1.02 -1.26 -4.97 120.64 114.14 1p6t n GLU 100 Ca -0.01 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 56.86 1p6t n GLU 100 Cb 0.04 0.00 -0.09 0.00 -0.02 0.00 0.00 31.44 31.37 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 0.27 3.77 3.48 0.62 0.00 -1.23 -4.44 105.19 107.65 1p6t n GLY 101 Ca 0.00 -1.42 -0.37 0.00 0.00 0.00 0.00 46.02 44.23 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 1.28 4.55 -0.07 1.61 1.01 -1.26 -0.69 120.40 126.83 1p6t s VAL 102 Ca 0.67 -0.09 -0.27 0.00 0.00 0.00 0.00 61.98 62.30 1p6t s VAL 102 Cb 0.25 -3.14 -0.22 0.00 0.00 0.00 0.00 36.38 33.27 1p6t s VAL 102 CO -0.04 0.32 1.04 0.00 0.00 0.00 0.00 175.10 176.42 1p6t h ALA 103 N 8.27 -0.01 -2.59 5.51 0.00 -0.72 -3.43 119.26 126.29 1p6t h ALA 103 Ca -0.38 -0.34 -0.08 0.00 0.00 0.00 0.00 54.91 54.11 1p6t h ALA 103 Cb 1.18 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 18.82 1p6t h ALA 103 CO 0.57 -0.16 -0.23 -0.80 0.00 0.00 0.00 179.25 178.63 1p6t s ASN 104 N -5.89 -0.09 -0.46 0.00 0.01 -0.55 -4.72 114.94 103.23 1p6t s ASN 104 Ca -0.17 -0.34 0.07 0.00 -0.71 0.00 0.00 52.86 51.71 1p6t s ASN 104 Cb -0.00 0.38 0.29 0.00 0.41 0.00 0.00 41.25 42.33 1p6t s ASN 104 CO 0.67 -0.71 0.97 0.00 -1.51 0.00 0.00 177.10 176.52 1p6t n ALA 105 N 0.21 -0.66 -2.11 0.60 0.00 -1.26 -0.73 120.51 116.56 1p6t n ALA 105 Ca -0.17 -1.68 -0.41 0.00 0.00 0.00 0.00 53.44 51.17 1p6t n ALA 105 Cb 0.61 -1.19 -0.04 0.00 0.00 0.00 0.00 19.45 18.83 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 0.17 4.52 -0.05 0.00 0.04 -1.23 -4.57 135.00 133.88 1p6t s PRO 106 Ca 0.28 1.81 -0.07 0.00 0.04 0.00 0.00 61.00 63.06 1p6t s PRO 106 Cb 0.26 -3.27 -0.04 0.00 0.04 0.00 0.00 34.50 31.49 1p6t s PRO 106 CO -0.13 -0.06 0.22 0.08 0.04 0.00 0.00 177.00 177.14 1p6t s VAL 107 N 0.05 5.38 -0.13 -0.36 1.01 -1.26 -1.31 120.40 123.78 1p6t s VAL 107 Ca 0.53 0.20 -0.10 0.00 0.00 0.00 0.00 61.98 62.61 1p6t s VAL 107 Cb -0.31 -3.51 -0.05 0.00 0.00 0.00 0.00 36.38 32.51 1p6t s VAL 107 CO 0.35 0.48 0.20 0.20 0.00 0.00 0.00 175.10 176.33 1p6t s ASN 108 N -1.41 6.42 0.04 3.32 -0.87 0.88 -4.99 114.94 118.33 1p6t s ASN 108 Ca 0.22 0.50 0.22 0.00 -1.57 0.00 0.00 52.86 52.23 1p6t s ASN 108 Cb -0.13 -2.12 -0.12 0.00 -0.02 0.00 0.00 41.25 38.86 1p6t s ASN 108 CO 0.12 0.30 0.83 0.33 -2.57 0.00 0.00 177.10 176.11 1p6t n PHE 109 N 2.53 0.26 0.11 2.20 7.35 -1.26 -3.23 117.46 125.42 1p6t n PHE 109 Ca -0.17 0.07 -0.24 0.00 -0.76 0.00 0.00 57.45 56.36 1p6t n PHE 109 Cb 0.53 -0.49 -0.15 0.00 0.35 0.00 0.00 39.48 39.72 1p6t n PHE 109 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1p6t h ALA 110 N 2.33 -0.05 0.00 3.13 0.00 -1.95 -3.37 119.26 119.35 1p6t h ALA 110 Ca 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 54.91 53.96 1p6t h ALA 110 Cb 0.84 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1p6t h ALA 110 CO 0.00 0.78 -1.75 1.28 0.00 0.00 0.00 179.25 179.56 1p6t n LEU 111 N -3.71 0.23 -3.60 0.00 4.77 -1.26 -4.99 117.00 108.44 1p6t n LEU 111 Ca -0.20 -0.07 -0.21 0.00 -0.03 0.00 0.00 56.01 55.50 1p6t n LEU 111 Cb 1.07 -0.01 0.05 0.00 -2.33 0.00 0.00 43.42 42.20 1p6t n LEU 111 CO 0.56 0.04 -0.03 -0.62 -1.33 0.00 0.00 177.39 176.01 1p6t n GLU 112 N -2.14 -4.31 -4.33 3.23 1.02 -1.20 -4.89 120.64 108.03 1p6t n GLU 112 Ca -0.02 0.67 -0.17 0.00 -0.02 0.00 0.00 57.16 57.61 1p6t n GLU 112 Cb 0.52 -5.23 -0.10 0.00 -0.02 0.00 0.00 31.44 26.61 1p6t n GLU 112 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1p6t s THR 113 N -3.56 1.22 -0.02 2.62 -4.23 -1.21 -0.80 115.64 109.66 1p6t s THR 113 Ca 0.13 -2.07 0.01 0.00 -1.18 0.00 0.00 61.69 58.57 1p6t s THR 113 Cb -0.03 -2.23 0.01 0.00 1.34 0.00 0.00 72.50 71.60 1p6t s THR 113 CO 0.80 -0.44 -0.02 0.54 -0.54 0.00 0.00 174.62 174.96 1p6t s VAL 114 N -3.30 0.28 0.17 2.29 0.11 0.45 -0.09 120.40 120.32 1p6t s VAL 114 Ca 0.25 -0.05 -0.28 0.00 -2.93 0.00 0.00 61.98 58.97 1p6t s VAL 114 Cb 0.04 -0.31 -0.08 0.00 -1.53 0.00 0.00 36.38 34.51 1p6t s VAL 114 CO 0.07 0.13 0.89 -0.89 -3.33 0.00 0.00 175.10 171.97 1p6t s THR 115 N 0.52 4.33 -0.30 5.04 2.01 -0.42 -0.55 115.64 126.25 1p6t s THR 115 Ca -0.05 1.94 0.02 0.00 0.31 0.00 0.00 61.69 63.91 1p6t s THR 115 Cb -0.09 -4.26 0.09 0.00 0.01 0.00 0.00 72.50 68.25 1p6t s THR 115 CO -0.01 0.44 0.01 0.54 -0.69 0.00 0.00 174.62 174.92 1p6t s VAL 116 N -0.74 1.90 -0.70 3.82 0.11 0.53 -3.51 120.40 121.81 1p6t s VAL 116 Ca 0.41 -1.88 -0.10 0.00 -2.93 0.00 0.00 61.98 57.48 1p6t s VAL 116 Cb -0.24 -2.30 0.18 0.00 -1.53 0.00 0.00 36.38 32.49 1p6t s VAL 116 CO 0.29 -0.43 0.59 -0.70 -3.33 0.00 0.00 175.10 171.52 1p6t s GLU 117 N 1.14 3.08 0.10 1.54 -6.30 0.09 -0.62 118.70 117.73 1p6t s GLU 117 Ca 0.05 -2.35 -0.07 0.00 -2.50 0.00 0.00 54.97 50.09 1p6t s GLU 117 Cb -0.19 -4.13 -0.01 0.00 0.00 0.00 0.00 34.13 29.80 1p6t s GLU 117 CO -0.10 -1.24 0.18 1.52 0.02 0.00 0.00 175.26 175.63 1p6t s TYR 118 N 0.33 0.29 -0.51 5.30 1.13 -1.15 -0.02 117.35 122.72 1p6t s TYR 118 Ca 0.15 -0.71 -0.20 0.00 -1.41 0.00 0.00 57.07 54.89 1p6t s TYR 118 Cb -0.17 -0.12 0.05 0.00 -1.10 0.00 0.00 41.96 40.62 1p6t s TYR 118 CO -0.05 -0.56 0.71 1.21 -2.51 0.00 0.00 175.55 174.34 1p6t s ASN 119 N -2.90 6.26 0.00 -0.18 3.04 0.13 -2.62 114.94 118.66 1p6t s ASN 119 Ca 0.09 -0.75 0.00 0.00 0.04 0.00 0.00 52.86 52.24 1p6t s ASN 119 Cb 0.05 -2.33 0.00 0.00 -1.54 0.00 0.00 41.25 37.43 1p6t s ASN 119 CO -0.08 -0.97 0.55 -0.81 -3.04 0.00 0.00 177.10 172.75 1p6t n PRO 120 N 6.50 0.59 -0.06 0.43 -0.04 -1.26 -1.43 135.00 139.73 1p6t n PRO 120 Ca -0.04 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.21 1p6t n PRO 120 Cb 0.46 -1.05 -0.13 0.00 -0.04 0.00 0.00 33.50 32.74 1p6t n PRO 120 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1p6t n LYS 121 N -0.39 0.70 0.01 0.54 -0.00 -1.26 -4.63 118.16 113.13 1p6t n LYS 121 Ca 0.00 0.26 -0.20 0.00 -0.00 0.00 0.00 58.31 58.37 1p6t n LYS 121 Cb 0.02 -1.64 -0.14 0.00 -0.00 0.00 0.00 35.03 33.27 1p6t n LYS 121 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 1p6t h GLU 122 N -0.13 0.23 0.00 -1.58 4.39 -1.62 -3.48 114.58 112.40 1p6t h GLU 122 Ca -0.49 -0.39 -0.57 0.00 0.34 0.00 0.00 59.36 58.26 1p6t h GLU 122 Cb 1.89 0.14 -0.12 0.00 -0.10 0.00 0.00 28.75 30.56 1p6t h GLU 122 CO -0.03 1.18 -0.47 0.00 -1.16 0.00 0.00 179.01 178.53 1p6t n ALA 123 N -2.79 0.57 -3.23 3.43 0.00 -1.07 -4.94 120.51 112.48 1p6t n ALA 123 Ca -0.18 -2.11 -0.09 0.00 0.00 0.00 0.00 53.44 51.06 1p6t n ALA 123 Cb 0.79 1.40 -0.05 0.00 0.00 0.00 0.00 19.45 21.59 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 -3.55 -0.03 0.28 0.00 1.04 -1.26 -4.23 113.70 105.95 1p6t s SER 124 Ca 0.19 -0.95 -0.02 0.00 0.48 0.00 0.00 55.95 55.65 1p6t s SER 124 Cb 0.01 0.61 0.63 0.00 0.10 0.00 0.00 66.02 67.37 1p6t s SER 124 CO 0.13 -1.19 1.60 0.58 0.98 0.00 0.00 173.24 175.35 1p6t h VAL 125 N 2.22 0.15 -0.70 5.02 2.07 -1.99 -0.18 116.25 122.84 1p6t h VAL 125 Ca -0.26 -0.02 0.07 0.00 0.82 0.00 0.00 66.70 67.31 1p6t h VAL 125 Cb 1.25 0.09 -0.06 0.00 -1.52 0.00 0.00 31.29 31.05 1p6t h VAL 125 CO 0.35 0.01 0.39 0.28 0.02 0.00 0.00 177.57 178.62 1p6t h SER 126 N 0.06 0.57 -0.13 0.57 0.02 -1.98 0.21 113.55 112.87 1p6t h SER 126 Ca 0.53 0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 61.51 1p6t h SER 126 Cb 1.02 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.48 1p6t h SER 126 CO -0.82 0.36 0.08 -0.78 -1.14 0.00 0.00 176.83 174.52 1p6t h ASP 127 N 0.71 0.16 -0.73 3.07 3.58 -1.45 0.70 116.42 122.45 1p6t h ASP 127 Ca 0.32 -0.06 0.06 0.00 0.42 0.00 0.00 57.03 57.77 1p6t h ASP 127 Cb 0.23 -0.04 -0.06 0.00 1.72 0.00 0.00 39.33 41.18 1p6t h ASP 127 CO -0.20 0.18 0.43 -0.07 -2.88 0.00 0.00 179.24 176.69 1p6t h LEU 128 N 0.13 0.65 -0.42 2.28 3.38 -0.77 0.17 115.31 120.73 1p6t h LEU 128 Ca 0.05 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1p6t h LEU 128 Cb 0.05 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1p6t h LEU 128 CO -0.01 0.41 0.21 0.11 0.09 0.00 0.00 178.44 179.25 1p6t h LYS 129 N 0.78 0.61 -0.61 1.13 1.57 -0.32 0.30 116.57 120.03 1p6t h LYS 129 Ca 0.33 -0.09 0.07 0.00 -1.87 0.00 0.00 60.65 59.09 1p6t h LYS 129 Cb 0.19 -0.11 -0.06 0.00 0.08 0.00 0.00 32.23 32.33 1p6t h LYS 129 CO -0.18 0.52 0.29 1.49 -0.57 0.00 0.00 179.45 181.00 1p6t h GLU 130 N 0.54 0.52 0.36 3.15 4.22 0.65 0.28 114.58 124.30 1p6t h GLU 130 Ca 0.15 -0.03 -0.02 0.00 0.08 0.00 0.00 59.36 59.54 1p6t h GLU 130 Cb 0.11 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1p6t h GLU 130 CO -0.02 0.35 -0.17 0.00 -2.18 0.00 0.00 179.01 176.99 1p6t h ALA 131 N 1.36 -0.48 -0.19 2.92 0.00 -0.41 -1.74 119.26 120.72 1p6t h ALA 131 Ca 0.29 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 1p6t h ALA 131 Cb 0.26 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1p6t h ALA 131 CO -0.23 -0.66 -0.21 -0.24 0.00 0.00 0.00 179.25 177.92 1p6t h VAL 132 N -0.69 1.23 -0.44 0.00 3.04 -0.78 -0.60 116.25 118.02 1p6t h VAL 132 Ca -0.05 -1.07 0.03 0.00 -1.01 0.00 0.00 66.70 64.60 1p6t h VAL 132 Cb 0.48 1.32 -0.03 0.00 -2.01 0.00 0.00 31.29 31.05 1p6t h VAL 132 CO 0.08 0.33 0.23 0.44 -1.01 0.00 0.00 177.57 177.65 1p6t h ASP 133 N 0.30 0.36 -0.28 3.17 5.19 -0.86 0.05 116.42 124.34 1p6t h ASP 133 Ca 0.05 0.02 -0.01 0.00 -0.62 0.00 0.00 57.03 56.46 1p6t h ASP 133 Cb 0.54 -0.06 -0.02 0.00 0.18 0.00 0.00 39.33 39.97 1p6t h ASP 133 CO 0.04 0.26 0.14 0.11 -3.12 0.00 0.00 179.24 176.66 1p6t h LYS 134 N 0.47 0.45 0.00 3.56 1.57 -0.28 0.19 116.57 122.53 1p6t h LYS 134 Ca 0.18 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1p6t h LYS 134 Cb 0.06 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.28 1p6t h LYS 134 CO -0.11 0.37 0.00 -0.07 -0.57 0.00 0.00 179.45 179.07 1p6t h LEU 135 N 0.45 0.00 0.00 2.94 -0.00 0.13 -3.47 115.31 115.37 1p6t h LEU 135 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.99 1p6t h LEU 135 Cb 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.74 1p6t h LEU 135 CO -0.01 0.00 0.00 0.61 -0.00 0.00 0.00 178.44 179.04 1p6t n GLY 136 N -0.19 0.71 0.00 0.83 0.00 0.68 -5.06 105.19 102.16 1p6t n GLY 136 Ca 0.01 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.32 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 -3.18 0.00 -3.91 1.61 4.01 -0.61 -5.01 117.16 110.07 1p6t n TYR 137 Ca 0.00 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.64 1p6t n TYR 137 Cb 0.30 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.23 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 -1.89 0.46 -0.02 -0.72 0.00 -1.24 -3.47 119.74 112.87 1p6t s LYS 138 Ca 0.00 -0.52 0.04 0.00 0.00 0.00 0.00 55.97 55.49 1p6t s LYS 138 Cb 0.00 0.18 -0.03 0.00 0.00 0.00 0.00 37.83 37.99 1p6t s LYS 138 CO 0.00 -0.11 -0.13 -0.51 0.00 0.00 0.00 175.35 174.60 1p6t s LEU 139 N -1.54 2.83 0.40 2.77 1.43 -1.26 -2.43 118.68 120.87 1p6t s LEU 139 Ca -0.13 -0.23 0.08 0.00 -1.03 0.00 0.00 54.13 52.81 1p6t s LEU 139 Cb -0.07 -1.62 -0.03 0.00 0.03 0.00 0.00 46.19 44.50 1p6t s LEU 139 CO -0.00 0.31 0.31 -0.54 0.23 0.00 0.00 176.35 176.66 1p6t s LYS 140 N -1.07 2.49 -0.14 1.70 -0.14 0.60 -4.95 119.74 118.23 1p6t s LYS 140 Ca 0.14 -1.56 -0.02 0.00 -1.36 0.00 0.00 55.97 53.17 1p6t s LYS 140 Cb -0.11 -2.30 -0.02 0.00 -1.68 0.00 0.00 37.83 33.72 1p6t s LYS 140 CO 0.03 -0.11 -0.07 -0.51 -0.76 0.00 0.00 175.35 173.93 1p6t s LEU 141 N -4.05 3.06 -1.17 3.17 1.02 -1.26 -0.26 118.68 119.19 1p6t s LEU 141 Ca 0.45 -0.19 -0.20 0.00 0.02 0.00 0.00 54.13 54.22 1p6t s LEU 141 Cb -0.02 -1.71 0.07 0.00 0.02 0.00 0.00 46.19 44.55 1p6t s LEU 141 CO 0.26 0.19 1.57 -0.54 0.02 0.00 0.00 176.35 177.86 1p6t s LYS 142 N 0.23 3.82 0.00 1.70 1.02 -0.69 -4.30 119.74 121.51 1p6t s LYS 142 Ca -0.05 -1.70 0.00 0.00 0.02 0.00 0.00 55.97 54.25 1p6t s LYS 142 Cb -0.14 -5.40 0.00 0.00 -0.52 0.00 0.00 37.83 31.76 1p6t s LYS 142 CO 0.04 -2.18 0.00 0.41 -0.92 0.00 0.00 175.35 172.70 1p6t n GLY 143 N 5.87 2.78 2.24 -3.33 0.00 -1.26 -4.89 105.19 106.60 1p6t n GLY 143 Ca 0.41 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.27 1p6t n GLY 143 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1p6t n GLU 144 N -2.00 1.91 0.00 1.61 1.02 -1.26 0.03 120.64 121.94 1p6t n GLU 144 Ca 0.00 -1.07 0.00 0.00 -0.02 0.00 0.00 57.16 56.07 1p6t n GLU 144 Cb 0.00 -2.10 0.00 0.00 -0.02 0.00 0.00 31.44 29.32 1p6t n GLU 144 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1p6t n GLN 145 N 3.03 0.00 -0.00 3.49 6.02 -1.26 -4.93 117.38 123.73 1p6t n GLN 145 Ca 0.41 0.00 0.04 0.00 -0.01 0.00 0.00 57.00 57.44 1p6t n GLN 145 Cb 0.53 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 31.74 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 -1.53 0.85 -1.63 1.08 8.00 -0.75 -4.57 116.55 118.01 1p6t n ASP 146 Ca 0.00 -0.57 0.00 0.00 0.71 0.00 0.00 54.79 54.93 1p6t n ASP 146 Cb 0.00 1.07 0.01 0.00 -0.02 0.00 0.00 41.12 42.17 1p6t n ASP 146 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1p6t n SER 147 N -1.29 0.41 0.10 -2.24 2.88 0.10 -4.96 113.62 108.63 1p6t n SER 147 Ca 0.01 -2.02 -0.15 0.00 -1.33 0.00 0.00 58.87 55.39 1p6t n SER 147 Cb 0.14 -0.11 -0.08 0.00 -0.75 0.00 0.00 64.21 63.41 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 6.12 0.12 -2.91 2.46 2.04 -1.66 -3.45 117.51 120.24 1p6t h ILE 148 Ca -0.32 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.59 1p6t h ILE 148 Cb 1.65 0.12 -0.03 0.00 -0.74 0.00 0.00 36.82 37.83 1p6t h ILE 148 CO -0.01 0.00 0.30 -0.70 0.00 0.00 0.00 178.15 177.74 1p6t s GLU 149 N -5.88 1.92 0.00 2.37 2.12 -1.26 -5.04 118.70 112.93 1p6t s GLU 149 Ca -0.16 -1.16 0.00 0.00 0.36 0.00 0.00 54.97 54.00 1p6t s GLU 149 Cb 0.07 0.58 0.00 0.00 0.26 0.00 0.00 34.13 35.05 1p6t s GLU 149 CO 0.63 -0.89 0.00 0.41 -0.54 0.00 0.00 175.26 174.87 1p6t n GLY 150 N -0.51 0.10 0.00 -1.50 0.00 -1.26 -5.10 105.19 96.92 1p6t n GLY 150 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1p6t n GLY 150 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86