#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2poa n SER 2 N 0.00 2.02 0.00 7.83 7.64 -1.26 -4.52 113.62 125.33 2poa n SER 2 Ca 0.00 0.01 0.05 0.00 1.01 0.00 0.00 58.87 59.94 2poa n SER 2 Cb 0.00 -0.50 0.26 0.00 -1.01 0.00 0.00 64.21 62.95 2poa n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2poa n SER 3 N -3.51 0.00 -2.58 6.43 2.88 -1.26 -3.39 113.62 112.19 2poa n SER 3 Ca -0.46 0.34 -0.20 0.00 -1.33 0.00 0.00 58.87 57.22 2poa n SER 3 Cb 0.93 -0.41 0.01 0.00 -0.75 0.00 0.00 64.21 63.99 2poa n SER 3 CO 0.00 0.00 0.00 2.22 -1.23 0.00 0.00 175.04 176.03 2poa n PHE 4 N -1.41 2.56 -2.85 0.66 -1.74 -1.26 -4.97 117.46 108.45 2poa n PHE 4 Ca 0.04 -3.05 -0.41 0.00 -0.56 0.00 0.00 57.45 53.47 2poa n PHE 4 Cb 0.11 -0.21 -0.04 0.00 1.52 0.00 0.00 39.48 40.86 2poa n PHE 4 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 2poa s LEU 5 N -3.36 4.43 0.00 5.98 1.43 -1.22 -4.68 118.68 121.27 2poa s LEU 5 Ca 0.40 1.58 0.00 0.00 -1.03 0.00 0.00 54.13 55.08 2poa s LEU 5 Cb 0.42 -3.40 0.00 0.00 0.03 0.00 0.00 46.19 43.23 2poa s LEU 5 CO -0.10 -0.08 0.00 0.61 0.23 0.00 0.00 176.35 177.00 2poa n GLY 6 N 2.53 1.92 3.75 -3.19 0.00 0.28 -4.77 105.19 105.72 2poa n GLY 6 Ca 0.01 -2.16 -0.40 0.00 0.00 0.00 0.00 46.02 43.47 2poa n GLY 6 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2poa s LYS 7 N -1.58 4.73 0.16 1.61 0.00 -1.26 -1.41 119.74 122.00 2poa s LYS 7 Ca 0.00 1.37 0.09 0.00 0.00 0.00 0.00 55.97 57.43 2poa s LYS 7 Cb 0.00 -3.29 -0.04 0.00 0.00 0.00 0.00 37.83 34.49 2poa s LYS 7 CO 0.00 0.47 -0.21 1.67 0.00 0.00 0.00 175.35 177.28 2poa s TRP 8 N -0.92 1.99 -0.01 1.78 1.48 -1.26 -0.49 118.94 121.50 2poa s TRP 8 Ca 0.40 -0.42 0.07 0.00 -1.06 0.00 0.00 56.10 55.09 2poa s TRP 8 Cb -0.24 -1.02 -0.02 0.00 -1.16 0.00 0.00 33.47 31.03 2poa s TRP 8 CO 0.30 0.35 -0.22 -1.59 -4.06 0.00 0.00 176.95 171.73 2poa s LYS 9 N -2.49 1.74 0.06 3.25 -2.85 -1.19 -4.40 119.74 113.85 2poa s LYS 9 Ca 0.15 -0.81 -0.31 0.00 -1.00 0.00 0.00 55.97 53.99 2poa s LYS 9 Cb -0.08 -1.71 -0.10 0.00 -2.06 0.00 0.00 37.83 33.88 2poa s LYS 9 CO 0.07 0.46 1.90 -0.11 0.10 0.00 0.00 175.35 177.77 2poa n LEU 10 N 2.44 3.98 0.01 2.77 7.94 -1.26 -3.25 117.00 129.62 2poa n LEU 10 Ca -0.16 0.95 -0.09 0.00 -1.11 0.00 0.00 56.01 55.61 2poa n LEU 10 Cb 0.52 -1.51 -0.13 0.00 0.53 0.00 0.00 43.42 42.83 2poa n LEU 10 CO 0.23 0.14 -0.31 -1.28 -1.11 0.00 0.00 177.39 175.07 2poa h SER 11 N 9.42 0.03 -5.32 1.96 0.87 -0.89 -3.48 113.55 116.15 2poa h SER 11 Ca -0.48 -0.05 -0.23 0.00 -1.23 0.00 0.00 61.79 59.79 2poa h SER 11 Cb 1.24 -0.01 -0.15 0.00 -0.44 0.00 0.00 62.40 63.04 2poa h SER 11 CO 0.94 1.05 -0.63 -1.83 -0.53 0.00 0.00 176.83 175.82 2poa s GLU 12 N -2.63 1.11 -0.17 2.24 4.04 -1.25 -5.03 118.70 117.01 2poa s GLU 12 Ca -0.03 -1.56 0.00 0.00 0.04 0.00 0.00 54.97 53.42 2poa s GLU 12 Cb 0.09 0.16 0.04 0.00 0.02 0.00 0.00 34.13 34.43 2poa s GLU 12 CO 0.82 -0.31 -0.09 0.45 -1.84 0.00 0.00 175.26 174.30 2poa s SER 13 N -3.13 2.89 -0.12 0.83 0.15 -1.26 -4.74 113.70 108.33 2poa s SER 13 Ca 0.32 -0.65 -0.09 0.00 0.70 0.00 0.00 55.95 56.23 2poa s SER 13 Cb 0.07 -1.06 -0.08 0.00 -1.71 0.00 0.00 66.02 63.24 2poa s SER 13 CO 0.07 -0.14 0.21 -0.74 1.20 0.00 0.00 173.24 173.85 2poa h HIS 14 N 8.07 0.00 -0.49 3.44 6.17 -1.93 -3.44 115.15 126.96 2poa h HIS 14 Ca -0.29 0.00 -0.27 0.00 0.71 0.00 0.00 60.37 60.52 2poa h HIS 14 Cb 1.11 0.00 -0.31 0.00 2.52 0.00 0.00 27.41 30.73 2poa h HIS 14 CO 0.47 0.31 -0.87 -1.71 0.71 0.00 0.00 177.93 176.85 2poa n ASN 15 N -4.72 0.37 -3.69 3.26 4.05 -1.26 -5.02 115.26 108.25 2poa n ASN 15 Ca -0.04 -2.39 -0.42 0.00 0.45 0.00 0.00 54.58 52.18 2poa n ASN 15 Cb 0.16 -0.02 -0.00 0.00 1.23 0.00 0.00 39.78 41.14 2poa n ASN 15 CO 0.00 0.00 0.00 0.33 -3.05 0.00 0.00 177.26 174.54 2poa n PHE 16 N -0.55 3.35 0.05 1.20 7.35 -1.26 -3.03 117.46 124.57 2poa n PHE 16 Ca 0.02 -2.98 0.00 0.00 -0.76 0.00 0.00 57.45 53.73 2poa n PHE 16 Cb 0.83 -2.49 0.00 0.00 0.35 0.00 0.00 39.48 38.17 2poa n PHE 16 CO 0.00 0.00 0.00 -0.40 -0.76 0.00 0.00 176.76 175.60 2poa n ASP 17 N 5.59 -0.81 0.11 -2.13 5.68 -1.26 -4.58 116.55 119.14 2poa n ASP 17 Ca 0.54 0.41 -0.01 0.00 -0.50 0.00 0.00 54.79 55.23 2poa n ASP 17 Cb 0.37 1.03 -0.02 0.00 -1.14 0.00 0.00 41.12 41.36 2poa n ASP 17 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2poa h ALA 18 N 0.00 0.56 -0.90 2.12 0.00 -1.98 -3.13 119.26 115.94 2poa h ALA 18 Ca 0.00 -0.64 0.20 0.00 0.00 0.00 0.00 54.91 54.48 2poa h ALA 18 Cb 0.00 -0.11 -0.12 0.00 0.00 0.00 0.00 17.79 17.56 2poa h ALA 18 CO 0.00 0.88 0.42 -0.24 0.00 0.00 0.00 179.25 180.31 2poa h VAL 19 N 0.00 0.54 0.12 0.00 3.04 -1.90 0.15 116.25 118.20 2poa h VAL 19 Ca -0.01 -0.16 -0.01 0.00 -1.01 0.00 0.00 66.70 65.52 2poa h VAL 19 Cb 1.52 0.03 0.00 0.00 -2.01 0.00 0.00 31.29 30.83 2poa h VAL 19 CO 0.09 0.09 -0.06 0.24 -1.01 0.00 0.00 177.57 176.92 2poa h MET 20 N 0.47 -0.15 -0.64 4.17 2.86 -1.87 -3.14 114.93 116.63 2poa h MET 20 Ca 0.54 0.01 0.03 0.00 -2.06 0.00 0.00 59.70 58.22 2poa h MET 20 Cb 0.98 0.03 -0.04 0.00 0.06 0.00 0.00 31.60 32.64 2poa h MET 20 CO -0.48 0.26 0.42 1.03 1.06 0.00 0.00 176.91 179.21 2poa h SER 21 N -0.94 0.67 0.87 1.22 0.87 -1.46 0.21 113.55 114.99 2poa h SER 21 Ca -0.02 -0.01 -0.15 0.00 -1.23 0.00 0.00 61.79 60.38 2poa h SER 21 Cb 0.49 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.27 2poa h SER 21 CO 0.03 0.47 -0.74 0.07 -0.53 0.00 0.00 176.83 176.13 2poa h LYS 22 N 0.78 0.00 -0.77 2.24 5.09 -0.88 -2.88 116.57 120.16 2poa h LYS 22 Ca 0.25 0.00 0.02 0.00 0.09 0.00 0.00 60.65 61.01 2poa h LYS 22 Cb 0.04 0.00 -0.04 0.00 0.10 0.00 0.00 32.23 32.33 2poa h LYS 22 CO -0.07 0.74 0.50 1.25 -2.09 0.00 0.00 179.45 179.78 2poa h LEU 23 N 0.00 0.84 0.00 7.07 5.85 -1.44 -3.49 115.31 124.14 2poa h LEU 23 Ca -0.01 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.70 2poa h LEU 23 Cb 1.37 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 42.21 2poa h LEU 23 CO 0.10 0.59 0.00 0.61 -0.34 0.00 0.00 178.44 179.40 2poa n GLY 24 N -1.31 0.61 3.82 3.75 0.00 0.04 -4.68 105.19 107.42 2poa n GLY 24 Ca 0.08 -0.73 -0.37 0.00 0.00 0.00 0.00 46.02 45.01 2poa n GLY 24 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2poa s VAL 25 N -0.36 5.34 0.51 1.61 1.01 -1.18 -5.00 120.40 122.33 2poa s VAL 25 Ca 0.00 0.43 -0.21 0.00 0.00 0.00 0.00 61.98 62.20 2poa s VAL 25 Cb 0.00 -3.53 -0.07 0.00 0.00 0.00 0.00 36.38 32.78 2poa s VAL 25 CO 0.00 0.55 1.12 -0.44 0.00 0.00 0.00 175.10 176.33 2poa s SER 26 N -0.62 5.99 0.00 3.32 0.01 -1.26 -4.62 113.70 116.52 2poa s SER 26 Ca 0.17 2.16 -0.01 0.00 1.31 0.00 0.00 55.95 59.58 2poa s SER 26 Cb -0.13 -2.58 -0.03 0.00 0.21 0.00 0.00 66.02 63.48 2poa s SER 26 CO 0.06 -1.03 1.59 0.79 0.41 0.00 0.00 173.24 175.05 2poa n TRP 27 N -0.98 0.00 0.00 2.43 5.03 -1.26 -1.08 117.44 121.58 2poa n TRP 27 Ca 0.10 -0.75 0.00 0.00 3.03 0.00 0.00 57.50 59.88 2poa n TRP 27 Cb 0.50 -0.56 0.00 0.00 -1.03 0.00 0.00 31.31 30.23 2poa n TRP 27 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 2poa n ALA 28 N 1.83 3.00 0.26 6.99 0.00 -1.26 -4.84 120.51 126.49 2poa n ALA 28 Ca 0.05 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.62 2poa n ALA 28 Cb 0.39 0.32 0.73 0.00 0.00 0.00 0.00 19.45 20.90 2poa n ALA 28 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2poa h THR 29 N 0.00 0.53 0.00 0.00 1.35 -1.79 -3.12 112.91 109.88 2poa h THR 29 Ca 0.00 -0.53 0.00 0.00 -0.55 0.00 0.00 66.41 65.33 2poa h THR 29 Cb 0.64 1.35 0.00 0.00 -1.73 0.00 0.00 68.15 68.41 2poa h THR 29 CO 0.00 0.11 0.00 -1.14 -0.25 0.00 0.00 175.52 174.24 2poa n ARG 30 N -3.60 0.57 -0.12 4.72 0.63 -0.24 -0.62 116.66 118.00 2poa n ARG 30 Ca -0.02 0.00 0.08 0.00 -0.92 0.00 0.00 57.85 56.99 2poa n ARG 30 Cb 0.24 -1.46 0.11 0.00 0.45 0.00 0.00 32.46 31.79 2poa n ARG 30 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2poa n GLN 31 N -0.96 1.24 0.00 -0.14 0.00 -1.18 -4.63 117.38 111.71 2poa n GLN 31 Ca 0.13 -2.27 0.00 0.00 0.00 0.00 0.00 57.00 54.86 2poa n GLN 31 Cb 0.06 -1.32 0.00 0.00 0.00 0.00 0.00 30.24 28.98 2poa n GLN 31 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.06 176.17 2poa n ILE 32 N -1.17 0.00 -0.02 -0.39 -0.00 -0.75 -4.64 119.36 112.40 2poa n ILE 32 Ca 0.13 0.00 -0.09 0.00 -0.00 0.00 0.00 62.75 62.79 2poa n ILE 32 Cb 0.62 -1.41 -0.02 0.00 -0.00 0.00 0.00 39.64 38.82 2poa n ILE 32 CO 0.00 0.00 0.00 1.23 -0.00 0.00 0.00 176.55 177.78 2poa h GLY 33 N 0.00 -0.09 -4.91 7.39 0.00 -1.13 0.26 103.07 104.58 2poa h GLY 33 Ca 0.00 0.21 -0.61 0.00 0.00 0.00 0.00 47.33 46.93 2poa h GLY 33 CO 0.00 -0.17 0.91 1.16 0.00 0.00 0.00 176.54 178.44 2poa n ASN 34 N -5.32 6.99 0.07 0.19 6.94 -1.26 -4.56 115.26 118.30 2poa n ASN 34 Ca -0.02 -3.33 0.00 0.00 -0.02 0.00 0.00 54.58 51.21 2poa n ASN 34 Cb 0.23 -1.23 0.00 0.00 -2.36 0.00 0.00 39.78 36.43 2poa n ASN 34 CO 0.00 0.00 0.00 0.41 -1.03 0.00 0.00 177.26 176.64 2poa n THR 35 N 0.75 0.00 -3.24 5.53 -1.04 -1.00 -4.89 114.28 110.39 2poa n THR 35 Ca 0.52 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 62.10 2poa n THR 35 Cb 0.43 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 68.86 2poa n THR 35 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2poa s VAL 36 N -1.32 4.99 -0.20 12.58 1.01 0.87 -5.02 120.40 133.31 2poa s VAL 36 Ca 0.00 -0.11 -0.37 0.00 0.00 0.00 0.00 61.98 61.50 2poa s VAL 36 Cb 0.00 -4.08 -0.14 0.00 0.00 0.00 0.00 36.38 32.16 2poa s VAL 36 CO 0.00 -0.46 1.83 0.35 0.00 0.00 0.00 175.10 176.82 2poa n THR 37 N 5.58 0.44 -2.00 3.92 -2.24 -1.26 -4.65 114.28 114.07 2poa n THR 37 Ca -0.05 -0.08 -0.42 0.00 -2.27 0.00 0.00 64.05 61.22 2poa n THR 37 Cb 0.48 -1.55 -0.03 0.00 -2.10 0.00 0.00 70.33 67.13 2poa n THR 37 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2poa s PRO 38 N 3.90 3.27 -1.52 -0.78 0.04 -1.26 -4.83 135.00 133.82 2poa s PRO 38 Ca 0.96 1.37 -0.09 0.00 0.04 0.00 0.00 61.00 63.29 2poa s PRO 38 Cb -0.89 -4.22 -0.03 0.00 0.04 0.00 0.00 34.50 29.41 2poa s PRO 38 CO 0.59 -1.94 2.80 2.41 0.04 0.00 0.00 177.00 180.90 2poa n THR 39 N 7.41 4.60 -2.74 1.26 -1.04 -1.26 -4.83 114.28 117.68 2poa n THR 39 Ca 0.23 -3.11 -0.42 0.00 -2.04 0.00 0.00 64.05 58.71 2poa n THR 39 Cb 0.47 -2.45 -0.03 0.00 -1.82 0.00 0.00 70.33 66.51 2poa n THR 39 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 2poa s VAL 40 N 1.13 4.33 -0.56 12.58 -7.23 -1.26 -2.55 120.40 126.84 2poa s VAL 40 Ca 0.65 -1.22 -0.22 0.00 -1.81 0.00 0.00 61.98 59.38 2poa s VAL 40 Cb 0.18 -4.93 0.06 0.00 0.56 0.00 0.00 36.38 32.25 2poa s VAL 40 CO -0.07 -1.73 0.83 -0.89 -0.31 0.00 0.00 175.10 172.93 2poa s THR 41 N 3.80 4.55 -0.38 5.32 2.01 -1.24 -4.63 115.64 125.08 2poa s THR 41 Ca 0.40 -0.18 -0.22 0.00 0.31 0.00 0.00 61.69 62.00 2poa s THR 41 Cb -0.02 -4.49 0.01 0.00 0.01 0.00 0.00 72.50 68.00 2poa s THR 41 CO -0.09 -1.10 0.70 -0.36 -0.69 0.00 0.00 174.62 173.08 2poa s PHE 42 N 3.49 3.11 -0.09 4.92 0.08 -0.50 -0.91 117.98 128.07 2poa s PHE 42 Ca 0.23 0.34 -0.04 0.00 0.12 0.00 0.00 56.93 57.57 2poa s PHE 42 Cb -0.16 -3.31 0.04 0.00 -0.57 0.00 0.00 43.02 39.02 2poa s PHE 42 CO 0.14 -0.74 0.20 0.95 -0.10 0.00 0.00 175.22 175.68 2poa s THR 43 N 2.92 -0.06 -0.45 0.64 -4.23 -0.65 -0.56 115.64 113.25 2poa s THR 43 Ca 0.27 0.17 -0.26 0.00 -1.18 0.00 0.00 61.69 60.69 2poa s THR 43 Cb -0.14 -0.32 0.03 0.00 1.34 0.00 0.00 72.50 73.41 2poa s THR 43 CO 0.17 0.07 0.98 0.00 -0.54 0.00 0.00 174.62 175.30 2poa s MET 44 N 1.30 3.63 -0.89 3.99 0.23 -1.26 0.15 119.30 126.44 2poa s MET 44 Ca -0.08 0.32 -0.11 0.00 -1.03 0.00 0.00 55.69 54.79 2poa s MET 44 Cb -0.11 -3.90 0.23 0.00 -1.53 0.00 0.00 34.83 29.52 2poa s MET 44 CO -0.07 -1.22 0.83 0.34 -2.03 0.00 0.00 175.02 172.87 2poa s ASP 45 N 2.25 6.74 0.00 -1.18 2.15 -0.01 -4.88 116.67 121.74 2poa s ASP 45 Ca 0.40 -3.00 0.00 0.00 0.43 0.00 0.00 52.55 50.38 2poa s ASP 45 Cb -0.10 -2.16 0.00 0.00 -0.30 0.00 0.00 42.92 40.36 2poa s ASP 45 CO 0.26 -0.46 0.00 0.61 -0.17 0.00 0.00 175.17 175.41 2poa n GLY 46 N 3.51 1.82 0.08 2.66 0.00 -1.26 -3.06 105.19 108.94 2poa n GLY 46 Ca 0.16 0.15 -0.12 0.00 0.00 0.00 0.00 46.02 46.21 2poa n GLY 46 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2poa h ASP 47 N 0.00 0.00 -5.14 1.61 3.58 -2.01 -3.51 116.42 110.95 2poa h ASP 47 Ca 0.00 -0.49 -0.14 0.00 0.42 0.00 0.00 57.03 56.82 2poa h ASP 47 Cb 0.00 0.00 -0.16 0.00 1.72 0.00 0.00 39.33 40.89 2poa h ASP 47 CO 0.00 1.01 -0.69 -1.59 -2.88 0.00 0.00 179.24 175.09 2poa s LYS 48 N -2.13 0.56 0.06 0.28 -2.85 -1.17 -5.03 119.74 109.45 2poa s LYS 48 Ca -0.18 -1.09 -0.30 0.00 -1.00 0.00 0.00 55.97 53.40 2poa s LYS 48 Cb 0.01 0.15 -0.05 0.00 -2.06 0.00 0.00 37.83 35.88 2poa s LYS 48 CO 0.45 -0.09 1.11 0.00 0.10 0.00 0.00 175.35 176.92 2poa s MET 49 N -3.36 4.50 -0.19 1.78 0.23 -0.34 -0.83 119.30 121.10 2poa s MET 49 Ca 0.02 1.65 0.01 0.00 -1.03 0.00 0.00 55.69 56.34 2poa s MET 49 Cb 0.04 -3.37 0.03 0.00 -1.53 0.00 0.00 34.83 30.00 2poa s MET 49 CO -0.08 -0.13 -0.14 0.99 -2.03 0.00 0.00 175.02 173.63 2poa s THR 50 N 0.82 1.84 -0.60 3.16 2.01 0.12 -1.98 115.64 121.00 2poa s THR 50 Ca 0.55 -1.00 -0.28 0.00 0.31 0.00 0.00 61.69 61.27 2poa s THR 50 Cb -0.27 -1.79 0.03 0.00 0.01 0.00 0.00 72.50 70.48 2poa s THR 50 CO 0.30 0.32 1.20 -0.04 -0.69 0.00 0.00 174.62 175.70 2poa s MET 51 N 1.34 3.47 -1.28 4.92 -1.94 -0.30 -1.63 119.30 123.88 2poa s MET 51 Ca 0.01 0.18 -0.10 0.00 -1.71 0.00 0.00 55.69 54.07 2poa s MET 51 Cb -0.15 -4.04 0.17 0.00 2.01 0.00 0.00 34.83 32.82 2poa s MET 51 CO -0.10 -1.74 1.85 1.28 -0.01 0.00 0.00 175.02 176.30 2poa n LEU 52 N 8.54 6.54 -4.59 -0.03 4.77 -0.09 -1.39 117.00 130.75 2poa n LEU 52 Ca 0.08 -4.63 -0.42 0.00 -0.03 0.00 0.00 56.01 51.01 2poa n LEU 52 Cb 0.49 -1.49 -0.03 0.00 -2.33 0.00 0.00 43.42 40.06 2poa n LEU 52 CO 0.71 1.32 1.47 -0.89 -1.33 0.00 0.00 177.39 178.68 2poa s THR 53 N 0.51 3.56 -0.80 -5.08 2.01 -0.58 -3.60 115.64 111.65 2poa s THR 53 Ca 0.40 0.54 0.02 0.00 0.31 0.00 0.00 61.69 62.96 2poa s THR 53 Cb 0.09 -3.81 0.22 0.00 0.01 0.00 0.00 72.50 69.01 2poa s THR 53 CO 0.00 -0.56 0.77 -0.62 -0.69 0.00 0.00 174.62 173.52 2poa n GLU 54 N 8.45 2.58 -4.16 4.92 -0.58 -1.06 -0.13 120.64 130.66 2poa n GLU 54 Ca 0.21 -4.55 -0.23 0.00 -0.42 0.00 0.00 57.16 52.17 2poa n GLU 54 Cb 0.48 -2.35 -0.07 0.00 -0.57 0.00 0.00 31.44 28.93 2poa n GLU 54 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 2poa s SER 55 N -1.29 4.66 0.41 1.62 0.01 -0.23 -4.22 113.70 114.65 2poa s SER 55 Ca 0.31 -0.73 0.08 0.00 1.31 0.00 0.00 55.95 56.91 2poa s SER 55 Cb 0.01 -0.78 0.86 0.00 0.21 0.00 0.00 66.02 66.33 2poa s SER 55 CO -0.09 -0.21 2.04 0.74 0.41 0.00 0.00 173.24 176.13 2poa h THR 56 N 1.64 1.11 0.00 1.44 2.02 -1.94 -2.84 112.91 114.34 2poa h THR 56 Ca -0.44 -0.26 -0.36 0.00 0.77 0.00 0.00 66.41 66.12 2poa h THR 56 Cb 1.25 0.61 -0.07 0.00 -1.74 0.00 0.00 68.15 68.21 2poa h THR 56 CO 0.63 0.12 -2.35 0.49 0.37 0.00 0.00 175.52 174.77 2poa n PHE 57 N -4.45 0.00 -3.72 3.16 3.01 -1.26 -4.75 117.46 109.46 2poa n PHE 57 Ca 0.02 0.00 -0.36 0.00 1.01 0.00 0.00 57.45 58.12 2poa n PHE 57 Cb 0.09 -0.96 -0.09 0.00 -0.01 0.00 0.00 39.48 38.50 2poa n PHE 57 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 2poa s LYS 58 N -2.48 2.63 -1.00 -1.08 1.02 -1.22 -4.72 119.74 112.89 2poa s LYS 58 Ca -0.14 -2.62 -0.12 0.00 0.02 0.00 0.00 55.97 53.11 2poa s LYS 58 Cb 0.06 -3.74 0.25 0.00 -0.52 0.00 0.00 37.83 33.87 2poa s LYS 58 CO 0.75 -1.18 1.00 0.54 -0.92 0.00 0.00 175.35 175.54 2poa s ASN 59 N 0.55 7.08 -0.08 2.83 4.22 -1.08 -1.07 114.94 127.40 2poa s ASN 59 Ca 0.18 -3.17 -0.31 0.00 -2.14 0.00 0.00 52.86 47.42 2poa s ASN 59 Cb -0.19 -2.23 0.08 0.00 1.28 0.00 0.00 41.25 40.19 2poa s ASN 59 CO -0.04 -0.45 0.73 -1.48 -2.04 0.00 0.00 177.10 173.83 2poa s LEU 60 N -0.44 -0.62 0.01 3.54 0.05 0.81 -4.98 118.68 117.05 2poa s LEU 60 Ca 0.27 0.71 -0.12 0.00 0.05 0.00 0.00 54.13 55.03 2poa s LEU 60 Cb -0.09 2.43 -0.05 0.00 -2.05 0.00 0.00 46.19 46.42 2poa s LEU 60 CO -0.08 -0.55 0.37 -0.94 -0.55 0.00 0.00 176.35 174.60 2poa s SER 61 N -1.09 6.71 -0.04 1.48 1.04 -1.26 -1.53 113.70 119.01 2poa s SER 61 Ca -0.09 0.85 0.03 0.00 0.48 0.00 0.00 55.95 57.22 2poa s SER 61 Cb -0.00 -2.21 0.01 0.00 0.10 0.00 0.00 66.02 63.92 2poa s SER 61 CO 0.08 0.30 -0.10 -0.69 0.98 0.00 0.00 173.24 173.81 2poa s VAL 62 N -1.16 0.91 -0.05 5.02 1.01 -0.49 -4.97 120.40 120.67 2poa s VAL 62 Ca 0.25 -0.40 0.06 0.00 0.00 0.00 0.00 61.98 61.89 2poa s VAL 62 Cb -0.15 -0.82 -0.01 0.00 0.00 0.00 0.00 36.38 35.40 2poa s VAL 62 CO 0.13 0.29 -0.25 -0.89 0.00 0.00 0.00 175.10 174.38 2poa s THR 63 N 0.33 2.08 -0.13 3.92 2.01 -1.26 -1.15 115.64 121.45 2poa s THR 63 Ca -0.06 -1.07 -0.30 0.00 0.31 0.00 0.00 61.69 60.57 2poa s THR 63 Cb -0.11 -1.74 0.13 0.00 0.01 0.00 0.00 72.50 70.78 2poa s THR 63 CO 0.01 0.57 1.01 0.72 -0.69 0.00 0.00 174.62 176.25 2poa s PHE 64 N -0.26 -0.32 0.45 4.92 -0.71 -0.84 -4.99 117.98 116.24 2poa s PHE 64 Ca -0.01 0.42 0.08 0.00 -1.04 0.00 0.00 56.93 56.38 2poa s PHE 64 Cb -0.13 0.48 0.01 0.00 -1.21 0.00 0.00 43.02 42.17 2poa s PHE 64 CO 0.03 -0.37 0.48 -1.59 -1.34 0.00 0.00 175.22 172.44 2poa s LYS 65 N -1.83 2.54 -0.97 1.99 -2.85 -1.26 -1.20 119.74 116.16 2poa s LYS 65 Ca 0.02 -1.53 -0.11 0.00 -1.00 0.00 0.00 55.97 53.35 2poa s LYS 65 Cb -0.01 -2.48 -0.08 0.00 -2.06 0.00 0.00 37.83 33.21 2poa s LYS 65 CO -0.03 -0.35 2.14 1.97 0.10 0.00 0.00 175.35 179.18 2poa n PHE 66 N -1.74 1.70 0.00 1.78 -1.74 -1.26 -3.52 117.46 112.67 2poa n PHE 66 Ca 0.06 -2.08 0.00 0.00 -0.56 0.00 0.00 57.45 54.87 2poa n PHE 66 Cb 0.61 -1.80 0.00 0.00 1.52 0.00 0.00 39.48 39.82 2poa n PHE 66 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 2poa n GLY 67 N 3.95 -0.24 3.57 4.97 0.00 -0.84 -4.52 105.19 112.08 2poa n GLY 67 Ca 0.49 0.05 -0.06 0.00 0.00 0.00 0.00 46.02 46.51 2poa n GLY 67 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2poa s GLU 68 N 0.00 0.60 -1.30 1.61 2.02 -1.23 -5.00 118.70 115.39 2poa s GLU 68 Ca 0.00 1.23 -0.13 0.00 0.02 0.00 0.00 54.97 56.09 2poa s GLU 68 Cb 0.00 0.37 0.12 0.00 0.10 0.00 0.00 34.13 34.73 2poa s GLU 68 CO 0.00 -0.18 1.80 -0.85 0.02 0.00 0.00 175.26 176.05 2poa n GLU 69 N 4.77 3.30 -2.46 1.61 0.00 -1.26 -3.45 120.64 123.16 2poa n GLU 69 Ca -0.17 -3.38 -0.42 0.00 0.00 0.00 0.00 57.16 53.20 2poa n GLU 69 Cb 0.54 -3.15 -0.03 0.00 0.00 0.00 0.00 31.44 28.80 2poa n GLU 69 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.13 176.54 2poa s PHE 70 N 2.11 3.49 0.09 -1.84 -0.12 -0.91 -4.38 117.98 116.42 2poa s PHE 70 Ca 0.45 1.42 -0.12 0.00 -0.05 0.00 0.00 56.93 58.63 2poa s PHE 70 Cb 0.06 -3.36 -0.06 0.00 -0.63 0.00 0.00 43.02 39.02 2poa s PHE 70 CO 0.00 -1.01 0.45 -0.51 -0.05 0.00 0.00 175.22 174.10 2poa s ASP 71 N 0.65 6.72 -0.00 1.98 1.01 -1.26 -1.87 116.67 123.89 2poa s ASP 71 Ca 0.55 0.90 -0.09 0.00 0.71 0.00 0.00 52.55 54.62 2poa s ASP 71 Cb -0.29 -2.22 0.01 0.00 1.01 0.00 0.00 42.92 41.42 2poa s ASP 71 CO 0.31 0.17 0.18 -1.83 0.21 0.00 0.00 175.17 174.21 2poa s GLU 72 N -1.83 0.52 -0.21 8.23 -1.05 0.21 -4.99 118.70 119.58 2poa s GLU 72 Ca 0.33 -0.32 -0.14 0.00 -0.15 0.00 0.00 54.97 54.70 2poa s GLU 72 Cb -0.15 0.22 -0.04 0.00 -0.44 0.00 0.00 34.13 33.72 2poa s GLU 72 CO 0.18 -0.13 0.30 0.21 0.95 0.00 0.00 175.26 176.78 2poa s LYS 73 N -1.30 4.15 0.16 -4.83 2.36 -1.26 -0.81 119.74 118.20 2poa s LYS 73 Ca -0.14 0.03 -0.17 0.00 -2.55 0.00 0.00 55.97 53.14 2poa s LYS 73 Cb -0.07 -3.52 -0.07 0.00 -1.05 0.00 0.00 37.83 33.12 2poa s LYS 73 CO 0.02 0.03 0.61 0.95 1.55 0.00 0.00 175.35 178.51 2poa s THR 74 N 1.10 4.74 0.57 3.43 -4.23 -0.85 -4.97 115.64 115.43 2poa s THR 74 Ca 0.15 1.05 0.28 0.00 -1.18 0.00 0.00 61.69 61.99 2poa s THR 74 Cb -0.14 -3.81 0.40 0.00 1.34 0.00 0.00 72.50 70.29 2poa s THR 74 CO 0.06 0.30 1.95 0.77 -0.54 0.00 0.00 174.62 177.15 2poa h SER 75 N 3.71 0.00 -0.53 3.99 4.64 -1.90 -1.76 113.55 121.70 2poa h SER 75 Ca -0.49 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 60.90 2poa h SER 75 Cb 1.20 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.23 2poa h SER 75 CO 0.65 0.00 0.22 -0.78 -0.87 0.00 0.00 176.83 176.05 2poa h ASP 76 N 0.00 0.26 0.00 4.97 1.82 -1.94 -3.46 116.42 118.07 2poa h ASP 76 Ca 0.24 0.05 0.00 0.00 -0.39 0.00 0.00 57.03 56.93 2poa h ASP 76 Cb 1.12 0.02 0.00 0.00 0.68 0.00 0.00 39.33 41.15 2poa h ASP 76 CO -0.00 0.18 0.00 0.61 -1.61 0.00 0.00 179.24 178.41 2poa n GLY 77 N -1.27 0.35 3.47 -0.78 0.00 -0.66 -4.69 105.19 101.61 2poa n GLY 77 Ca 0.06 -0.76 0.01 0.00 0.00 0.00 0.00 46.02 45.33 2poa n GLY 77 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2poa s ARG 78 N 0.00 0.22 0.09 1.61 1.70 -1.25 -4.99 118.95 116.33 2poa s ARG 78 Ca 0.00 0.48 -0.31 0.00 -0.47 0.00 0.00 55.73 55.43 2poa s ARG 78 Cb 0.00 0.20 -0.07 0.00 -0.57 0.00 0.00 34.95 34.51 2poa s ARG 78 CO 0.00 -0.06 1.27 0.54 -1.08 0.00 0.00 175.30 175.97 2poa s ASN 79 N 1.84 6.98 0.11 -2.89 2.20 -1.26 -2.01 114.94 119.91 2poa s ASN 79 Ca -0.05 2.15 0.02 0.00 -0.94 0.00 0.00 52.86 54.05 2poa s ASN 79 Cb -0.04 -2.58 -0.04 0.00 -2.00 0.00 0.00 41.25 36.59 2poa s ASN 79 CO -0.15 -0.53 -0.07 0.68 -2.94 0.00 0.00 177.10 174.08 2poa s VAL 80 N 0.97 0.80 0.23 3.54 -7.23 0.01 -4.52 120.40 114.20 2poa s VAL 80 Ca 0.60 -1.96 0.02 0.00 -1.81 0.00 0.00 61.98 58.83 2poa s VAL 80 Cb -0.33 -1.72 -0.01 0.00 0.56 0.00 0.00 36.38 34.88 2poa s VAL 80 CO 0.30 -0.84 0.07 2.29 -0.31 0.00 0.00 175.10 176.61 2poa n LYS 81 N -0.08 0.81 -3.19 4.82 2.85 -0.53 -0.62 118.16 122.22 2poa n LYS 81 Ca -0.12 -1.93 0.01 0.00 -1.05 0.00 0.00 58.31 55.23 2poa n LYS 81 Cb 0.61 0.98 -0.02 0.00 -0.65 0.00 0.00 35.03 35.95 2poa n LYS 81 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 2poa s SER 82 N -2.41 -1.12 -0.39 -5.58 0.01 -0.78 -0.17 113.70 103.26 2poa s SER 82 Ca 0.10 0.48 -0.28 0.00 1.31 0.00 0.00 55.95 57.56 2poa s SER 82 Cb 0.00 1.91 0.02 0.00 0.21 0.00 0.00 66.02 68.17 2poa s SER 82 CO 0.07 -0.29 1.07 0.54 0.41 0.00 0.00 173.24 175.04 2poa s VAL 83 N 2.79 4.41 -0.16 3.43 0.11 -0.34 -2.14 120.40 128.51 2poa s VAL 83 Ca 0.16 1.44 -0.05 0.00 -2.93 0.00 0.00 61.98 60.60 2poa s VAL 83 Cb -0.13 -4.47 -0.03 0.00 -1.53 0.00 0.00 36.38 30.21 2poa s VAL 83 CO -0.23 -0.69 0.00 -0.69 -3.33 0.00 0.00 175.10 170.17 2poa s VAL 84 N 3.91 4.26 -0.06 2.04 1.01 -1.22 -0.99 120.40 129.34 2poa s VAL 84 Ca 0.45 -0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.20 2poa s VAL 84 Cb -0.10 -2.88 0.02 0.00 0.00 0.00 0.00 36.38 33.42 2poa s VAL 84 CO 0.22 0.50 -0.05 -0.70 0.00 0.00 0.00 175.10 175.07 2poa s GLU 85 N 0.22 0.98 -0.30 2.72 -6.30 -1.18 -1.98 118.70 112.86 2poa s GLU 85 Ca 0.00 -0.12 -0.16 0.00 -2.50 0.00 0.00 54.97 52.20 2poa s GLU 85 Cb -0.13 -1.04 -0.02 0.00 0.00 0.00 0.00 34.13 32.93 2poa s GLU 85 CO 0.02 -0.14 0.42 0.21 0.02 0.00 0.00 175.26 175.79 2poa s LYS 86 N 1.22 3.83 0.11 4.30 2.20 -1.26 -0.57 119.74 129.58 2poa s LYS 86 Ca -0.06 -0.07 0.15 0.00 -0.36 0.00 0.00 55.97 55.63 2poa s LYS 86 Cb -0.14 -3.72 -0.10 0.00 -1.51 0.00 0.00 37.83 32.36 2poa s LYS 86 CO -0.02 -0.42 1.02 -0.97 -0.36 0.00 0.00 175.35 174.60 2poa h ASN 87 N 8.29 0.00 0.00 1.43 -0.73 -0.92 -3.47 115.58 120.18 2poa h ASN 87 Ca -0.30 0.00 0.00 0.00 1.87 0.00 0.00 56.30 57.87 2poa h ASN 87 Cb 1.15 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.74 2poa h ASN 87 CO 0.69 0.65 0.00 -1.20 -0.37 0.00 0.00 177.43 177.21 2poa n SER 88 N -3.05 0.00 0.00 1.15 7.64 -1.25 -5.01 113.62 113.10 2poa n SER 88 Ca -0.06 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.82 2poa n SER 88 Cb 0.85 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.05 2poa n SER 88 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2poa n GLU 89 N 0.00 1.80 -2.86 1.43 4.07 -1.26 -4.85 120.64 118.97 2poa n GLU 89 Ca 0.00 -0.08 -0.12 0.00 -0.06 0.00 0.00 57.16 56.90 2poa n GLU 89 Cb 0.00 -0.41 0.03 0.00 -0.06 0.00 0.00 31.44 31.00 2poa n GLU 89 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 2poa n SER 90 N -0.28 0.12 -3.31 4.31 2.88 -1.26 -4.27 113.62 111.81 2poa n SER 90 Ca 0.00 -2.93 -0.11 0.00 -1.33 0.00 0.00 58.87 54.50 2poa n SER 90 Cb 0.05 0.06 -0.05 0.00 -0.75 0.00 0.00 64.21 63.52 2poa n SER 90 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 2poa s LYS 91 N -1.84 0.71 -0.05 -1.46 2.36 -1.23 -4.24 119.74 113.99 2poa s LYS 91 Ca 0.30 -0.67 0.03 0.00 -2.55 0.00 0.00 55.97 53.09 2poa s LYS 91 Cb 0.39 -0.44 0.00 0.00 -1.05 0.00 0.00 37.83 36.73 2poa s LYS 91 CO -0.04 -1.20 -0.15 -1.17 1.55 0.00 0.00 175.35 174.35 2poa s LEU 92 N 1.56 1.81 -0.80 5.43 0.20 -0.86 -0.12 118.68 125.90 2poa s LEU 92 Ca 0.17 -0.32 -0.02 0.00 0.69 0.00 0.00 54.13 54.65 2poa s LEU 92 Cb -0.11 -0.88 0.20 0.00 -0.43 0.00 0.00 46.19 44.96 2poa s LEU 92 CO -0.04 0.10 0.65 0.28 -0.29 0.00 0.00 176.35 177.05 2poa s THR 93 N 0.30 4.04 -1.33 3.68 -1.32 0.27 -0.01 115.64 121.26 2poa s THR 93 Ca -0.08 -3.63 -0.17 0.00 -1.21 0.00 0.00 61.69 56.60 2poa s THR 93 Cb -0.13 -3.55 0.05 0.00 -1.51 0.00 0.00 72.50 67.36 2poa s THR 93 CO 0.03 -1.02 1.91 1.67 -2.21 0.00 0.00 174.62 175.01 2poa n GLN 94 N 2.65 2.96 -2.88 7.08 7.27 -1.26 -3.10 117.38 130.11 2poa n GLN 94 Ca 0.17 -2.98 -0.43 0.00 0.07 0.00 0.00 57.00 53.84 2poa n GLN 94 Cb 0.37 -3.43 -0.05 0.00 2.41 0.00 0.00 30.24 29.55 2poa n GLN 94 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 2poa s THR 95 N 4.25 4.58 -0.30 1.69 2.01 -0.16 -4.66 115.64 123.05 2poa s THR 95 Ca 0.53 0.78 -0.27 0.00 0.31 0.00 0.00 61.69 63.04 2poa s THR 95 Cb 0.07 -4.35 0.01 0.00 0.01 0.00 0.00 72.50 68.25 2poa s THR 95 CO 0.03 -0.67 0.96 -1.10 -0.69 0.00 0.00 174.62 173.14 2poa s GLN 96 N 3.47 4.06 -0.96 4.92 -0.21 -1.24 -1.19 119.66 128.50 2poa s GLN 96 Ca 0.34 0.93 -0.15 0.00 0.02 0.00 0.00 55.36 56.51 2poa s GLN 96 Cb -0.11 -3.72 0.19 0.00 1.00 0.00 0.00 33.01 30.37 2poa s GLN 96 CO 0.22 -0.77 1.04 0.08 -2.12 0.00 0.00 175.29 173.73 2poa s VAL 97 N 3.32 5.30 0.61 1.09 1.01 0.76 -0.69 120.40 131.79 2poa s VAL 97 Ca 0.40 -2.34 -0.01 0.00 0.00 0.00 0.00 61.98 60.03 2poa s VAL 97 Cb -0.13 -4.66 0.05 0.00 0.00 0.00 0.00 36.38 31.64 2poa s VAL 97 CO 0.13 -1.30 0.87 -1.81 0.00 0.00 0.00 175.10 172.99 2poa s ASP 98 N 2.62 5.06 0.12 3.32 1.11 -1.26 -1.46 116.67 126.19 2poa s ASP 98 Ca 0.28 0.11 0.07 0.00 0.18 0.00 0.00 52.55 53.20 2poa s ASP 98 Cb -0.07 -0.89 0.40 0.00 1.07 0.00 0.00 42.92 43.42 2poa s ASP 98 CO -0.08 -1.34 1.18 -0.81 1.18 0.00 0.00 175.17 175.31 2poa n PRO 99 N -2.56 0.05 -0.00 8.23 -0.04 -1.26 -1.19 135.00 138.22 2poa n PRO 99 Ca 0.08 0.51 0.09 0.00 -0.04 0.00 0.00 63.50 64.14 2poa n PRO 99 Cb 0.60 -1.72 -0.11 0.00 -0.04 0.00 0.00 33.50 32.24 2poa n PRO 99 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2poa n LYS 100 N -1.73 1.05 -2.17 0.54 4.76 -1.26 -5.12 118.16 114.23 2poa n LYS 100 Ca -0.00 -0.03 -0.03 0.00 -2.87 0.00 0.00 58.31 55.38 2poa n LYS 100 Cb 0.07 -1.35 -0.02 0.00 -1.84 0.00 0.00 35.03 31.88 2poa n LYS 100 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2poa n ASN 101 N -1.54 -2.73 -4.69 4.39 3.02 -0.33 -4.99 115.26 108.38 2poa n ASN 101 Ca 0.02 1.06 -0.42 0.00 -0.03 0.00 0.00 54.58 55.21 2poa n ASN 101 Cb 0.31 -3.99 -0.03 0.00 -0.61 0.00 0.00 39.78 35.46 2poa n ASN 101 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2poa s THR 102 N -0.45 4.57 0.23 3.41 2.01 0.14 -4.79 115.64 120.76 2poa s THR 102 Ca -0.15 1.86 -0.25 0.00 0.31 0.00 0.00 61.69 63.46 2poa s THR 102 Cb 0.01 -4.19 -0.09 0.00 0.01 0.00 0.00 72.50 68.24 2poa s THR 102 CO 0.39 0.05 0.83 -0.89 -0.69 0.00 0.00 174.62 174.31 2poa s THR 103 N 1.76 4.33 -0.03 -0.82 2.01 -0.46 -3.72 115.64 118.72 2poa s THR 103 Ca 0.52 1.69 -0.01 0.00 0.31 0.00 0.00 61.69 64.20 2poa s THR 103 Cb -0.22 -4.07 -0.01 0.00 0.01 0.00 0.00 72.50 68.22 2poa s THR 103 CO 0.22 0.36 0.07 1.33 -0.69 0.00 0.00 174.62 175.91 2poa n VAL 104 N 1.13 0.00 -1.73 3.82 0.24 -1.26 -3.91 118.33 116.61 2poa n VAL 104 Ca -0.03 0.00 -0.33 0.00 -2.04 0.00 0.00 64.34 61.95 2poa n VAL 104 Cb 0.49 -0.01 -0.03 0.00 -1.47 0.00 0.00 33.84 32.82 2poa n VAL 104 CO 0.00 0.00 0.00 2.30 -2.14 0.00 0.00 176.83 176.99 2poa n ILE 105 N 0.19 4.05 -1.47 1.34 -6.64 -1.26 -4.67 119.36 110.90 2poa n ILE 105 Ca 0.02 -3.65 -0.44 0.00 -1.77 0.00 0.00 62.75 56.90 2poa n ILE 105 Cb 0.00 -1.70 -0.11 0.00 -1.44 0.00 0.00 39.64 36.40 2poa n ILE 105 CO 0.00 0.00 0.00 1.33 -1.77 0.00 0.00 176.55 176.11 2poa n VAL 106 N 0.94 0.01 -2.82 7.28 0.24 -1.26 -4.52 118.33 118.21 2poa n VAL 106 Ca 0.53 -0.22 -0.43 0.00 -2.04 0.00 0.00 64.34 62.18 2poa n VAL 106 Cb 0.42 -1.20 -0.03 0.00 -1.47 0.00 0.00 33.84 31.56 2poa n VAL 106 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2poa s ARG 107 N 7.94 3.53 0.00 7.34 1.70 0.98 -2.75 118.95 137.69 2poa s ARG 107 Ca 1.21 -1.46 0.00 0.00 -0.47 0.00 0.00 55.73 55.01 2poa s ARG 107 Cb -0.99 -4.93 0.00 0.00 -0.57 0.00 0.00 34.95 28.46 2poa s ARG 107 CO 0.46 -1.89 0.00 -1.91 -1.08 0.00 0.00 175.30 170.88 2poa n GLU 108 N 7.32 3.52 -3.64 3.89 0.00 0.77 -2.03 120.64 130.46 2poa n GLU 108 Ca 0.22 0.00 -0.07 0.00 0.00 0.00 0.00 57.16 57.32 2poa n GLU 108 Cb 0.49 0.00 -0.07 0.00 0.00 0.00 0.00 31.44 31.86 2poa n GLU 108 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 2poa s VAL 109 N 2.31 0.00 -0.81 6.31 0.11 -1.26 -1.07 120.40 125.99 2poa s VAL 109 Ca 0.00 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.05 2poa s VAL 109 Cb 0.00 -1.00 0.35 0.00 -1.53 0.00 0.00 36.38 34.20 2poa s VAL 109 CO 0.00 0.00 1.68 0.47 -3.33 0.00 0.00 175.10 173.92 2poa n ASP 110 N 4.02 6.65 -1.57 3.54 8.00 -0.61 -4.88 116.55 131.72 2poa n ASP 110 Ca -0.19 -3.75 -0.00 0.00 0.71 0.00 0.00 54.79 51.55 2poa n ASP 110 Cb 0.58 -0.94 0.00 0.00 -0.02 0.00 0.00 41.12 40.74 2poa n ASP 110 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2poa n GLY 111 N -0.34 -0.49 4.65 0.44 0.00 -1.26 -4.35 105.19 103.84 2poa n GLY 111 Ca 0.47 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.36 2poa n GLY 111 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2poa n ASP 112 N -0.83 0.00 -4.47 1.61 2.03 -1.26 -4.92 116.55 108.72 2poa n ASP 112 Ca 0.00 0.00 -0.44 0.00 0.52 0.00 0.00 54.79 54.88 2poa n ASP 112 Cb 0.32 -0.33 -0.02 0.00 -0.72 0.00 0.00 41.12 40.37 2poa n ASP 112 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2poa s THR 113 N -0.35 4.69 -0.51 5.18 -1.32 -1.26 -4.42 115.64 117.65 2poa s THR 113 Ca 0.00 -1.73 -0.28 0.00 -1.21 0.00 0.00 61.69 58.47 2poa s THR 113 Cb 0.00 -4.85 0.02 0.00 -1.51 0.00 0.00 72.50 66.16 2poa s THR 113 CO 0.00 -1.59 1.36 -0.32 -2.21 0.00 0.00 174.62 171.86 2poa s MET 114 N 2.73 3.45 -0.38 7.08 0.00 -0.70 -1.57 119.30 129.92 2poa s MET 114 Ca 0.37 0.59 -0.20 0.00 0.00 0.00 0.00 55.69 56.45 2poa s MET 114 Cb -0.04 -4.06 0.01 0.00 0.00 0.00 0.00 34.83 30.74 2poa s MET 114 CO -0.07 -1.74 0.61 -1.59 0.00 0.00 0.00 175.02 172.24 2poa s LYS 115 N 5.16 3.55 -0.39 4.11 -2.85 -0.23 -3.50 119.74 125.59 2poa s LYS 115 Ca 0.54 -0.12 -0.17 0.00 -1.00 0.00 0.00 55.97 55.22 2poa s LYS 115 Cb -0.11 -3.85 0.01 0.00 -2.06 0.00 0.00 37.83 31.82 2poa s LYS 115 CO 0.28 -0.80 0.42 -0.08 0.10 0.00 0.00 175.35 175.27 2poa s THR 116 N 2.68 5.11 -1.09 3.79 -1.32 -1.26 -0.16 115.64 123.39 2poa s THR 116 Ca 0.23 -0.18 -0.22 0.00 -1.21 0.00 0.00 61.69 60.30 2poa s THR 116 Cb -0.15 -3.96 -0.01 0.00 -1.51 0.00 0.00 72.50 66.87 2poa s THR 116 CO 0.16 -0.30 1.79 -0.89 -2.21 0.00 0.00 174.62 173.17 2poa s THR 117 N 2.11 3.71 -0.72 5.08 2.01 -1.11 -0.93 115.64 125.79 2poa s THR 117 Ca 0.12 -0.93 -0.20 0.00 0.31 0.00 0.00 61.69 60.99 2poa s THR 117 Cb -0.17 -4.64 0.10 0.00 0.01 0.00 0.00 72.50 67.81 2poa s THR 117 CO 0.13 -1.39 0.92 0.54 -0.69 0.00 0.00 174.62 174.12 2poa s VAL 118 N 8.06 4.63 0.24 3.82 0.11 -0.80 -4.21 120.40 132.26 2poa s VAL 118 Ca 0.61 -0.96 0.10 0.00 -2.93 0.00 0.00 61.98 58.80 2poa s VAL 118 Cb -0.01 -4.64 -0.04 0.00 -1.53 0.00 0.00 36.38 30.15 2poa s VAL 118 CO 0.03 -1.35 -0.09 0.28 -3.33 0.00 0.00 175.10 170.64 2poa s THR 119 N 3.12 3.07 -0.42 5.04 -1.32 -1.25 -1.09 115.64 122.78 2poa s THR 119 Ca 0.21 -1.97 0.05 0.00 -1.21 0.00 0.00 61.69 58.77 2poa s THR 119 Cb -0.16 -2.59 0.19 0.00 -1.51 0.00 0.00 72.50 68.43 2poa s THR 119 CO 0.03 -0.29 0.44 0.52 -2.21 0.00 0.00 174.62 173.11 2poa n VAL 120 N -0.50 -0.94 0.00 5.08 0.31 -1.26 -1.35 118.33 119.67 2poa n VAL 120 Ca -0.08 -3.13 0.00 0.00 -0.01 0.00 0.00 64.34 61.12 2poa n VAL 120 Cb 0.58 -1.25 0.00 0.00 -0.91 0.00 0.00 33.84 32.26 2poa n VAL 120 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2poa n GLY 121 N 2.57 0.75 2.44 2.92 0.00 -1.26 -4.24 105.19 108.37 2poa n GLY 121 Ca 0.26 -0.01 -0.18 0.00 0.00 0.00 0.00 46.02 46.09 2poa n GLY 121 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2poa n ASP 122 N 1.93 -1.16 0.04 1.61 5.75 -1.26 -4.99 116.55 118.47 2poa n ASP 122 Ca 0.00 -2.82 0.00 0.00 -0.01 0.00 0.00 54.79 51.96 2poa n ASP 122 Cb 0.00 0.30 0.00 0.00 -1.03 0.00 0.00 41.12 40.39 2poa n ASP 122 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 2poa n VAL 123 N 1.89 0.03 -2.82 2.12 0.31 -1.26 -5.09 118.33 113.51 2poa n VAL 123 Ca 0.19 0.01 -0.06 0.00 -0.01 0.00 0.00 64.34 64.47 2poa n VAL 123 Cb 0.55 -0.23 0.01 0.00 -0.91 0.00 0.00 33.84 33.26 2poa n VAL 123 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 2poa n THR 124 N -2.78-11.33 -3.33 2.52 -1.04 -1.25 -4.97 114.28 92.11 2poa n THR 124 Ca 0.00 1.10 -0.46 0.00 -2.04 0.00 0.00 64.05 62.65 2poa n THR 124 Cb 0.00 -7.23 -0.04 0.00 -1.82 0.00 0.00 70.33 61.24 2poa n THR 124 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2poa s ALA 125 N -2.40 3.87 -0.63 2.41 0.00 -0.25 -4.72 121.76 120.03 2poa s ALA 125 Ca 0.20 -2.94 -0.26 0.00 0.00 0.00 0.00 51.96 48.95 2poa s ALA 125 Cb -0.05 -3.38 -0.02 0.00 0.00 0.00 0.00 23.12 19.66 2poa s ALA 125 CO 0.77 -2.15 1.83 -1.50 0.00 0.00 0.00 175.76 174.72 2poa s ILE 126 N 0.85 3.38 0.73 0.00 1.10 -1.26 -1.91 121.20 124.08 2poa s ILE 126 Ca 0.11 0.18 -0.12 0.00 -0.51 0.00 0.00 60.65 60.31 2poa s ILE 126 Cb -0.20 -4.00 0.03 0.00 0.15 0.00 0.00 42.46 38.44 2poa s ILE 126 CO -0.03 -0.97 1.09 -0.13 -2.11 0.00 0.00 174.94 172.79 2poa s ARG 127 N 6.96 2.52 -0.03 3.50 3.00 -0.11 -4.67 118.95 130.12 2poa s ARG 127 Ca 0.65 1.17 -0.02 0.00 0.00 0.00 0.00 55.73 57.54 2poa s ARG 127 Cb -0.12 -1.93 0.02 0.00 0.00 0.00 0.00 34.95 32.92 2poa s ARG 127 CO 0.19 -1.44 0.07 -0.80 0.00 0.00 0.00 175.30 173.32 2poa s ASN 128 N -3.28 -0.03 -0.21 0.23 -0.87 -1.26 -4.14 114.94 105.38 2poa s ASN 128 Ca 0.62 0.14 -0.24 0.00 -1.57 0.00 0.00 52.86 51.80 2poa s ASN 128 Cb -0.17 0.08 0.06 0.00 -0.02 0.00 0.00 41.25 41.20 2poa s ASN 128 CO 0.52 -0.08 0.66 -0.72 -2.57 0.00 0.00 177.10 174.91 2poa s TYR 129 N 0.60 -0.70 -0.15 2.20 -0.85 -1.23 -0.11 117.35 117.12 2poa s TYR 129 Ca -0.05 1.62 -0.04 0.00 -0.52 0.00 0.00 57.07 58.08 2poa s TYR 129 Cb -0.07 0.28 -0.03 0.00 0.38 0.00 0.00 41.96 42.52 2poa s TYR 129 CO -0.02 -0.40 0.00 0.15 -1.52 0.00 0.00 175.55 173.76 2poa s LYS 130 N 0.01 3.59 0.36 -3.49 -0.14 -1.20 -1.72 119.74 117.15 2poa s LYS 130 Ca -0.02 -0.43 -0.25 0.00 -1.36 0.00 0.00 55.97 53.90 2poa s LYS 130 Cb -0.04 -2.98 -0.10 0.00 -1.68 0.00 0.00 37.83 33.04 2poa s LYS 130 CO 0.03 0.37 0.98 1.03 -0.76 0.00 0.00 175.35 177.00 2poa s ARG 131 N 0.04 4.42 0.07 1.68 0.52 -1.26 -3.15 118.95 121.26 2poa s ARG 131 Ca 0.02 1.36 0.08 0.00 -0.52 0.00 0.00 55.73 56.67 2poa s ARG 131 Cb -0.13 -2.65 -0.03 0.00 0.52 0.00 0.00 34.95 32.66 2poa s ARG 131 CO 0.02 0.11 -0.20 -0.51 0.02 0.00 0.00 175.30 174.74 2poa s LEU 132 N -2.37 2.24 0.00 2.53 1.43 0.35 -4.98 118.68 117.88 2poa s LEU 132 Ca 0.54 -0.61 0.27 0.00 -1.03 0.00 0.00 54.13 53.30 2poa s LEU 132 Cb -0.18 -0.89 0.78 0.00 0.03 0.00 0.00 46.19 45.93 2poa s LEU 132 CO 0.24 0.09 1.59 -1.54 0.23 0.00 0.00 176.35 176.96