#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p2p h LEU 2 N 0.00 0.15 -2.68 0.00 6.46 -1.18 -2.83 115.31 115.23 1p2p h LEU 2 Ca 0.00 -0.50 -0.00 0.00 -0.12 0.00 0.00 57.88 57.26 1p2p h LEU 2 Cb 0.00 -0.04 -0.00 0.00 -0.73 0.00 0.00 40.66 39.89 1p2p h LEU 2 CO 0.00 0.62 -0.01 4.11 -0.62 0.00 0.00 178.44 182.54 1p2p h TRP 3 N -0.32 0.00 0.12 1.25 5.08 -1.98 -2.26 115.95 117.83 1p2p h TRP 3 Ca 0.01 0.00 -0.33 0.00 1.08 0.00 0.00 58.89 59.64 1p2p h TRP 3 Cb 0.58 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.73 1p2p h TRP 3 CO 0.10 0.01 -1.75 1.96 -1.28 0.00 0.00 178.44 177.48 1p2p h GLN 4 N 0.00 0.26 -0.04 0.12 4.20 -1.94 -2.97 115.11 114.74 1p2p h GLN 4 Ca -0.00 -0.44 0.04 0.00 0.06 0.00 0.00 58.65 58.30 1p2p h GLN 4 Cb 0.04 0.17 -0.05 0.00 0.30 0.00 0.00 27.48 27.93 1p2p h GLN 4 CO 0.00 1.12 -0.31 0.35 -0.67 0.00 0.00 178.83 179.32 1p2p h PHE 5 N 0.07 -0.84 -0.29 2.96 3.57 -1.17 -0.42 116.94 120.83 1p2p h PHE 5 Ca -0.33 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.27 1p2p h PHE 5 Cb 2.04 0.37 -0.06 0.00 2.79 0.00 0.00 35.95 41.10 1p2p h PHE 5 CO 0.07 -0.39 -0.11 0.00 -2.23 0.00 0.00 178.31 175.64 1p2p h ARG 6 N -0.43 -0.06 0.00 1.11 3.08 -1.58 -1.02 114.38 115.48 1p2p h ARG 6 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.13 1p2p h ARG 6 Cb 0.54 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.60 1p2p h ARG 6 CO -0.28 -0.04 0.00 0.45 -1.07 0.00 0.00 179.97 179.03 1p2p n SER 7 N -5.29 0.00 -0.01 7.04 2.88 -0.64 -0.00 113.62 117.60 1p2p n SER 7 Ca -0.00 0.29 0.08 0.00 -1.33 0.00 0.00 58.87 57.91 1p2p n SER 7 Cb 0.21 -0.32 -0.12 0.00 -0.75 0.00 0.00 64.21 63.22 1p2p n SER 7 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 1p2p n MET 8 N -1.32 0.50 0.18 -1.46 2.81 -0.26 -3.63 117.12 113.94 1p2p n MET 8 Ca 0.01 -0.14 0.10 0.00 -1.81 0.00 0.00 57.70 55.86 1p2p n MET 8 Cb 0.02 -1.38 0.11 0.00 -0.71 0.00 0.00 33.22 31.27 1p2p n MET 8 CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 1p2p h ILE 9 N 0.00 0.16 0.10 2.02 2.04 0.25 -2.56 117.51 119.52 1p2p h ILE 9 Ca 0.00 -1.24 -0.19 0.00 1.00 0.00 0.00 64.86 64.44 1p2p h ILE 9 Cb 0.72 2.00 0.01 0.00 -0.74 0.00 0.00 36.82 38.81 1p2p h ILE 9 CO 0.00 0.09 -0.91 0.11 0.00 0.00 0.00 178.15 177.44 1p2p h LYS 10 N 0.00 0.21 -0.45 2.37 1.57 -1.60 -1.83 116.57 116.84 1p2p h LYS 10 Ca -0.01 -0.36 0.06 0.00 -1.87 0.00 0.00 60.65 58.48 1p2p h LYS 10 Cb 1.08 0.14 -0.09 0.00 0.08 0.00 0.00 32.23 33.44 1p2p h LYS 10 CO 0.01 1.17 -0.49 0.00 -0.57 0.00 0.00 179.45 179.57 1p2p h ALA 12 N 0.26 0.50 -2.97 0.00 0.00 -1.59 -3.39 119.26 112.06 1p2p h ALA 12 Ca 0.12 -0.55 -0.62 0.00 0.00 0.00 0.00 54.91 53.86 1p2p h ALA 12 Cb 0.59 -0.06 -0.42 0.00 0.00 0.00 0.00 17.79 17.90 1p2p h ALA 12 CO -0.61 0.70 -0.57 -0.89 0.00 0.00 0.00 179.25 177.87 1p2p n ILE 13 N -3.95 1.74 0.34 0.00 5.41 -0.69 -4.94 119.36 117.27 1p2p n ILE 13 Ca -0.05 -4.92 0.00 0.00 1.00 0.00 0.00 62.75 58.78 1p2p n ILE 13 Cb 0.67 -2.18 0.00 0.00 -0.71 0.00 0.00 39.64 37.42 1p2p n ILE 13 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1p2p n PRO 14 N 1.81 0.17 -0.45 0.38 -0.02 -0.19 -2.20 135.00 134.51 1p2p n PRO 14 Ca 0.21 0.00 0.09 0.00 -2.02 0.00 0.00 63.50 61.79 1p2p n PRO 14 Cb 0.36 -1.00 0.30 0.00 -0.02 0.00 0.00 33.50 33.14 1p2p n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1p2p n GLY 15 N -0.31 2.24 0.00 -1.23 0.00 -1.26 -5.01 105.19 99.61 1p2p n GLY 15 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.29 1p2p n GLY 15 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1p2p n SER 16 N 1.19 0.80 -3.44 1.61 3.41 -0.93 -5.08 113.62 111.17 1p2p n SER 16 Ca 0.22 -0.83 -0.27 0.00 -0.26 0.00 0.00 58.87 57.74 1p2p n SER 16 Cb 0.68 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.52 1p2p n SER 16 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 1p2p s HIS 17 N -1.36 0.51 -1.56 7.33 2.46 -1.26 -4.97 115.29 116.44 1p2p s HIS 17 Ca 0.00 -1.46 0.00 0.00 0.47 0.00 0.00 55.06 54.07 1p2p s HIS 17 Cb 0.00 -0.81 0.00 0.00 -0.13 0.00 0.00 32.58 31.64 1p2p s HIS 17 CO 0.00 -0.86 0.56 -2.30 -2.47 0.00 0.00 174.74 169.68 1p2p n PRO 18 N 4.10 0.72 -0.11 2.88 -0.02 -1.26 -2.89 135.00 138.42 1p2p n PRO 18 Ca 0.12 0.00 -0.20 0.00 -2.02 0.00 0.00 63.50 61.39 1p2p n PRO 18 Cb 0.39 -1.16 -0.09 0.00 -0.02 0.00 0.00 33.50 32.62 1p2p n PRO 18 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1p2p n LEU 19 N -0.22 1.88 0.19 2.45 4.32 -1.26 -4.16 117.00 120.20 1p2p n LEU 19 Ca 0.00 0.43 -0.07 0.00 -0.02 0.00 0.00 56.01 56.34 1p2p n LEU 19 Cb 0.08 -0.90 -0.04 0.00 -1.62 0.00 0.00 43.42 40.94 1p2p n LEU 19 CO 0.00 0.20 0.48 0.24 -1.22 0.00 0.00 177.39 177.10 1p2p h MET 20 N -1.00 -0.47 -0.48 3.23 2.86 -1.87 -3.03 114.93 114.17 1p2p h MET 20 Ca -0.37 0.03 0.08 0.00 -2.06 0.00 0.00 59.70 57.39 1p2p h MET 20 Cb 1.24 0.11 -0.07 0.00 0.06 0.00 0.00 31.60 32.94 1p2p h MET 20 CO -0.22 -0.31 0.06 -0.44 1.06 0.00 0.00 176.91 177.06 1p2p h ASP 21 N -0.51 -0.07 -0.04 1.22 3.32 -1.80 -3.33 116.42 115.20 1p2p h ASP 21 Ca -0.05 0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1p2p h ASP 21 Cb 0.37 0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.07 1p2p h ASP 21 CO 0.08 -0.01 0.00 0.49 -1.72 0.00 0.00 179.24 178.09 1p2p n PHE 22 N -5.15 0.05 -3.28 4.55 3.72 -1.26 -4.85 117.46 111.24 1p2p n PHE 22 Ca 0.05 -0.08 -0.32 0.00 -0.05 0.00 0.00 57.45 57.05 1p2p n PHE 22 Cb 0.24 -0.01 -0.05 0.00 -0.94 0.00 0.00 39.48 38.72 1p2p n PHE 22 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1p2p s ASN 23 N -0.62 6.66 -0.93 4.37 2.47 -1.14 -4.22 114.94 121.52 1p2p s ASN 23 Ca 0.09 1.04 -0.09 0.00 0.42 0.00 0.00 52.86 54.32 1p2p s ASN 23 Cb 0.06 -2.28 0.00 0.00 -1.45 0.00 0.00 41.25 37.58 1p2p s ASN 23 CO 0.08 -0.15 0.69 0.59 -3.72 0.00 0.00 177.10 174.60 1p2p n ASN 24 N -0.35 -5.68 -3.61 -4.21 5.03 -1.24 -4.86 115.26 100.34 1p2p n ASN 24 Ca 0.02 -0.79 -0.19 0.00 0.87 0.00 0.00 54.58 54.49 1p2p n ASN 24 Cb 0.53 -3.08 -0.15 0.00 -1.02 0.00 0.00 39.78 36.05 1p2p n ASN 24 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 1p2p s TYR 25 N -3.17 -0.13 0.00 3.10 6.14 -1.17 -1.51 117.35 120.60 1p2p s TYR 25 Ca 0.18 0.33 0.00 0.00 0.64 0.00 0.00 57.07 58.22 1p2p s TYR 25 Cb -0.07 -0.37 0.00 0.00 0.42 0.00 0.00 41.96 41.94 1p2p s TYR 25 CO 0.86 -0.40 0.00 0.41 0.64 0.00 0.00 175.55 177.05 1p2p n GLY 26 N 5.31 -0.97 0.11 8.97 0.00 0.36 -3.03 105.19 115.95 1p2p n GLY 26 Ca -0.05 -1.04 -0.13 0.00 0.00 0.00 0.00 46.02 44.80 1p2p n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p2p n TYR 28 N -4.64 0.56 -1.91 0.00 4.01 -1.26 -4.06 117.16 109.85 1p2p n TYR 28 Ca -0.07 0.18 -0.42 0.00 -0.16 0.00 0.00 57.90 57.43 1p2p n TYR 28 Cb 0.33 -0.88 -0.03 0.00 -0.31 0.00 0.00 39.34 38.45 1p2p n TYR 28 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1p2p n GLY 30 N 4.03 -1.74 3.67 0.00 0.00 -1.26 -3.03 105.19 106.86 1p2p n GLY 30 Ca 0.16 -2.20 -0.43 0.00 0.00 0.00 0.00 46.02 43.55 1p2p n GLY 30 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1p2p s LEU 31 N 0.00 4.17 0.00 0.99 1.02 -1.26 -4.80 118.68 118.80 1p2p s LEU 31 Ca 0.00 1.51 0.00 0.00 0.02 0.00 0.00 54.13 55.66 1p2p s LEU 31 Cb 0.00 -3.55 0.00 0.00 0.02 0.00 0.00 46.19 42.66 1p2p s LEU 31 CO 0.00 -0.61 0.00 0.61 0.02 0.00 0.00 176.35 176.37 1p2p n GLY 32 N 3.30 -1.76 0.00 -3.19 0.00 -1.26 -5.08 105.19 97.20 1p2p n GLY 32 Ca 0.11 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.43 1p2p n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p2p n GLY 33 N 0.00 3.19 3.83 -0.02 0.00 -1.26 -4.49 105.19 106.44 1p2p n GLY 33 Ca 0.00 -1.12 -0.07 0.00 0.00 0.00 0.00 46.02 44.83 1p2p n GLY 33 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1p2p s SER 34 N 0.00 -0.09 0.47 1.61 1.04 -1.26 -5.03 113.70 110.44 1p2p s SER 34 Ca 0.00 -0.88 0.00 0.00 0.48 0.00 0.00 55.95 55.55 1p2p s SER 34 Cb 0.00 0.75 0.00 0.00 0.10 0.00 0.00 66.02 66.87 1p2p s SER 34 CO 0.00 -1.46 0.00 0.61 0.98 0.00 0.00 173.24 173.37 1p2p n GLY 35 N -0.52 -1.70 3.78 7.32 0.00 -1.26 -4.73 105.19 108.08 1p2p n GLY 35 Ca -0.06 -1.12 -0.38 0.00 0.00 0.00 0.00 46.02 44.45 1p2p n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1p2p s THR 36 N -1.71 5.06 0.26 2.61 2.01 -1.26 -4.99 115.64 117.61 1p2p s THR 36 Ca 0.00 0.96 -0.30 0.00 0.31 0.00 0.00 61.69 62.66 1p2p s THR 36 Cb 0.00 -3.80 -0.14 0.00 0.01 0.00 0.00 72.50 68.57 1p2p s THR 36 CO 0.00 0.45 1.18 -0.81 -0.69 0.00 0.00 174.62 174.76 1p2p n PRO 37 N 2.71 1.59 0.01 4.92 -0.04 -1.26 -4.82 135.00 138.10 1p2p n PRO 37 Ca -0.10 0.56 0.11 0.00 -0.04 0.00 0.00 63.50 64.03 1p2p n PRO 37 Cb 0.52 -2.06 0.49 0.00 -0.04 0.00 0.00 33.50 32.41 1p2p n PRO 37 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1p2p n VAL 38 N 0.96 0.42 -3.69 0.52 0.24 -1.26 -4.88 118.33 110.64 1p2p n VAL 38 Ca 0.11 0.08 -0.07 0.00 -2.04 0.00 0.00 64.34 62.41 1p2p n VAL 38 Cb 0.31 -0.71 0.02 0.00 -1.47 0.00 0.00 33.84 31.99 1p2p n VAL 38 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1p2p n ASP 39 N -1.59 -1.94 -0.06 -1.34 2.03 -1.26 -4.99 116.55 107.40 1p2p n ASP 39 Ca 0.05 -2.32 -0.16 0.00 0.52 0.00 0.00 54.79 52.89 1p2p n ASP 39 Cb 0.28 3.22 -0.05 0.00 -0.72 0.00 0.00 41.12 43.85 1p2p n ASP 39 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 1p2p h GLU 40 N 0.00 0.86 0.00 -0.67 4.81 -1.91 0.17 114.58 117.84 1p2p h GLU 40 Ca -0.28 -0.60 0.00 0.00 -0.13 0.00 0.00 59.36 58.35 1p2p h GLU 40 Cb 1.06 0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.53 1p2p h GLU 40 CO 0.36 1.22 0.00 -0.11 -0.73 0.00 0.00 179.01 179.75 1p2p n LEU 41 N -3.98 0.00 -0.00 1.64 -0.00 -1.26 -1.35 117.00 112.04 1p2p n LEU 41 Ca -0.06 0.48 -0.21 0.00 -0.00 0.00 0.00 56.01 56.22 1p2p n LEU 41 Cb 0.67 -0.48 -0.14 0.00 -0.00 0.00 0.00 43.42 43.48 1p2p n LEU 41 CO 0.51 -0.16 -0.81 -0.67 -0.00 0.00 0.00 177.39 176.27 1p2p n ASP 42 N -1.48 2.11 -0.22 1.96 -0.08 -0.91 -3.88 116.55 114.05 1p2p n ASP 42 Ca 0.05 0.22 0.04 0.00 -1.51 0.00 0.00 54.79 53.59 1p2p n ASP 42 Cb 0.22 -0.86 0.30 0.00 2.34 0.00 0.00 41.12 43.12 1p2p n ASP 42 CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 1p2p h ARG 43 N -0.00 0.86 -0.38 -0.67 2.47 0.25 0.38 114.38 117.30 1p2p h ARG 43 Ca -0.42 -0.05 0.01 0.00 -1.26 0.00 0.00 59.98 58.25 1p2p h ARG 43 Cb 1.98 -0.20 -0.02 0.00 -1.65 0.00 0.00 29.97 30.09 1p2p h ARG 43 CO 0.06 0.57 0.25 0.00 0.56 0.00 0.00 179.97 181.41 1p2p h GLU 46 N 0.41 -0.54 -0.80 0.00 4.81 0.03 -1.82 114.58 116.67 1p2p h GLU 46 Ca 0.08 0.04 0.14 0.00 -0.13 0.00 0.00 59.36 59.49 1p2p h GLU 46 Cb 0.59 0.12 -0.06 0.00 0.63 0.00 0.00 28.75 30.04 1p2p h GLU 46 CO 0.03 -0.36 0.53 1.15 -0.73 0.00 0.00 179.01 179.63 1p2p h THR 47 N -0.56 0.82 0.00 0.32 2.02 -1.21 0.60 112.91 114.90 1p2p h THR 47 Ca -0.00 -0.18 -0.11 0.00 0.77 0.00 0.00 66.41 66.89 1p2p h THR 47 Cb 0.52 0.25 -0.02 0.00 -1.74 0.00 0.00 68.15 67.16 1p2p h THR 47 CO -0.07 0.10 -0.51 -0.74 0.37 0.00 0.00 175.52 174.66 1p2p h HIS 48 N 0.53 0.00 -0.02 3.16 -0.00 -1.10 -1.00 115.15 116.71 1p2p h HIS 48 Ca 0.39 0.00 -0.10 0.00 -0.00 0.00 0.00 60.37 60.67 1p2p h HIS 48 Cb 0.78 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.17 1p2p h HIS 48 CO -0.00 0.51 -0.44 -0.44 -0.00 0.00 0.00 177.93 177.56 1p2p h ASP 49 N 0.00 0.05 0.23 3.26 5.19 -0.02 -2.23 116.42 122.90 1p2p h ASP 49 Ca -0.01 -0.02 -0.32 0.00 -0.62 0.00 0.00 57.03 56.06 1p2p h ASP 49 Cb 1.13 -0.01 0.04 0.00 0.18 0.00 0.00 39.33 40.66 1p2p h ASP 49 CO 0.07 0.49 -1.39 0.78 -3.12 0.00 0.00 179.24 176.07 1p2p h ASN 50 N 0.04 0.82 -0.91 6.45 2.35 -1.09 -1.73 115.58 121.52 1p2p h ASN 50 Ca 0.00 -0.91 0.22 0.00 -0.55 0.00 0.00 56.30 55.05 1p2p h ASN 50 Cb 0.80 -0.27 -0.12 0.00 0.05 0.00 0.00 38.32 38.79 1p2p h ASN 50 CO 0.06 1.67 0.43 0.00 -1.65 0.00 0.00 177.43 177.94 1p2p h TYR 52 N 0.45 0.37 0.14 0.00 -1.99 -1.43 -2.90 116.97 111.61 1p2p h TYR 52 Ca 0.56 -0.24 0.02 0.00 2.00 0.00 0.00 58.73 61.07 1p2p h TYR 52 Cb 1.05 -0.03 -0.04 0.00 2.00 0.00 0.00 36.73 39.71 1p2p h TYR 52 CO -0.11 1.13 -0.40 -0.09 -0.00 0.00 0.00 178.16 178.69 1p2p h ARG 53 N 0.09 -0.62 -0.61 4.88 9.65 0.70 -2.48 114.38 125.99 1p2p h ARG 53 Ca -0.08 0.04 0.06 0.00 -1.10 0.00 0.00 59.98 58.90 1p2p h ARG 53 Cb 1.75 0.14 -0.06 0.00 -1.39 0.00 0.00 29.97 30.42 1p2p h ARG 53 CO 0.17 -0.42 0.31 -0.44 2.80 0.00 0.00 179.97 182.39 1p2p h ASP 54 N -0.65 0.43 -0.74 -3.80 3.45 -0.17 -2.92 116.42 112.02 1p2p h ASP 54 Ca 0.02 0.04 0.09 0.00 0.43 0.00 0.00 57.03 57.61 1p2p h ASP 54 Cb 0.67 -0.04 -0.07 0.00 -0.56 0.00 0.00 39.33 39.33 1p2p h ASP 54 CO -0.22 0.28 0.39 0.00 -1.57 0.00 0.00 179.24 178.12 1p2p h ALA 55 N 1.34 1.04 -0.11 3.45 0.00 -1.24 0.81 119.26 124.54 1p2p h ALA 55 Ca 0.28 0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.26 1p2p h ALA 55 Cb 0.21 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1p2p h ALA 55 CO -0.20 0.01 0.12 0.87 0.00 0.00 0.00 179.25 180.05 1p2p h LYS 56 N 0.67 0.00 0.01 0.00 1.57 -1.25 -1.75 116.57 115.82 1p2p h LYS 56 Ca 0.36 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.94 1p2p h LYS 56 Cb 0.35 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 1p2p h LYS 56 CO -0.26 0.00 -0.92 -0.91 -0.57 0.00 0.00 179.45 176.80 1p2p h ASN 57 N 0.00 0.13 -1.40 0.86 -0.26 -0.90 -3.44 115.58 110.57 1p2p h ASN 57 Ca 0.05 -0.12 -0.65 0.00 -0.56 0.00 0.00 56.30 55.02 1p2p h ASN 57 Cb 0.30 -0.04 -0.01 0.00 -1.06 0.00 0.00 38.32 37.50 1p2p h ASN 57 CO -0.00 0.98 1.39 0.18 -1.06 0.00 0.00 177.43 178.92 1p2p n LEU 58 N -3.55 2.53 0.00 1.61 4.77 -0.66 -4.75 117.00 116.95 1p2p n LEU 58 Ca -0.02 0.43 0.08 0.00 -0.03 0.00 0.00 56.01 56.47 1p2p n LEU 58 Cb 0.85 -1.34 0.47 0.00 -2.33 0.00 0.00 43.42 41.07 1p2p n LEU 58 CO 0.47 -0.65 0.68 -0.67 -1.33 0.00 0.00 177.39 175.90 1p2p n ASP 59 N 9.87 0.00 0.05 -1.43 2.03 -1.26 -1.45 116.55 124.35 1p2p n ASP 59 Ca 0.36 -0.46 -0.02 0.00 0.52 0.00 0.00 54.79 55.19 1p2p n ASP 59 Cb 0.28 -0.02 -0.08 0.00 -0.72 0.00 0.00 41.12 40.59 1p2p n ASP 59 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1p2p h SER 60 N 0.00 0.00 -2.95 1.67 0.02 -1.94 -3.46 113.55 106.89 1p2p h SER 60 Ca 0.00 0.00 -0.62 0.00 -0.84 0.00 0.00 61.79 60.33 1p2p h SER 60 Cb 0.01 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.50 1p2p h SER 60 CO 0.00 0.70 -0.40 0.00 -1.14 0.00 0.00 176.83 175.99 1p2p s LYS 62 N -2.05 0.66 0.30 0.00 2.36 -1.26 -4.81 119.74 114.93 1p2p s LYS 62 Ca 0.31 -0.97 -0.23 0.00 -2.55 0.00 0.00 55.97 52.54 1p2p s LYS 62 Cb -0.13 -0.78 -0.09 0.00 -1.05 0.00 0.00 37.83 35.78 1p2p s LYS 62 CO 0.20 -1.21 0.86 -0.06 1.55 0.00 0.00 175.35 176.68 1p2p s PHE 63 N 1.32 3.62 0.34 4.03 0.08 -1.26 -5.01 117.98 121.10 1p2p s PHE 63 Ca 0.18 1.60 -0.29 0.00 0.12 0.00 0.00 56.93 58.54 1p2p s PHE 63 Cb -0.15 -2.79 -0.11 0.00 -0.57 0.00 0.00 43.02 39.40 1p2p s PHE 63 CO -0.03 0.22 1.48 -1.17 -0.10 0.00 0.00 175.22 175.62 1p2p s LEU 64 N -2.18 4.35 0.00 -0.37 2.96 -1.26 -2.18 118.68 120.00 1p2p s LEU 64 Ca 0.49 2.93 0.00 0.00 -0.22 0.00 0.00 54.13 57.33 1p2p s LEU 64 Cb -0.17 -3.65 0.00 0.00 0.50 0.00 0.00 46.19 42.87 1p2p s LEU 64 CO 0.21 -0.81 0.00 0.52 -1.32 0.00 0.00 176.35 174.95 1p2p n VAL 65 N 1.10 0.00 -1.46 1.68 0.31 -1.26 -1.62 118.33 117.08 1p2p n VAL 65 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 1p2p n VAL 65 Cb 0.39 -0.18 0.00 0.00 -0.91 0.00 0.00 33.84 33.14 1p2p n VAL 65 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1p2p n ASP 66 N 0.00 -1.64 -3.95 4.52 10.43 -0.93 -5.07 116.55 119.92 1p2p n ASP 66 Ca 0.00 0.00 -0.31 0.00 2.57 0.00 0.00 54.79 57.05 1p2p n ASP 66 Cb 0.00 -0.46 -0.15 0.00 1.84 0.00 0.00 41.12 42.35 1p2p n ASP 66 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 1p2p s ASN 67 N -2.91 4.45 0.00 -2.24 2.20 -0.64 -4.98 114.94 110.83 1p2p s ASN 67 Ca 0.00 -1.85 0.00 0.00 -0.94 0.00 0.00 52.86 50.07 1p2p s ASN 67 Cb 0.00 -1.39 0.00 0.00 -2.00 0.00 0.00 41.25 37.86 1p2p s ASN 67 CO 0.00 -0.35 0.50 -2.65 -2.94 0.00 0.00 177.10 171.66 1p2p n PRO 68 N 4.46 0.00 0.31 3.55 -0.02 -1.26 -0.64 135.00 141.40 1p2p n PRO 68 Ca -0.01 0.10 0.20 0.00 -2.02 0.00 0.00 63.50 61.77 1p2p n PRO 68 Cb 0.42 -1.54 0.98 0.00 -0.02 0.00 0.00 33.50 33.35 1p2p n PRO 68 CO 0.00 0.00 0.00 1.88 1.98 0.00 0.00 175.50 179.36 1p2p h TYR 69 N 0.00 0.00 -0.18 6.00 0.99 -1.92 -2.00 116.97 119.86 1p2p h TYR 69 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1p2p h TYR 69 Cb 0.07 0.00 0.00 0.00 1.00 0.00 0.00 36.73 37.80 1p2p h TYR 69 CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 178.16 175.79 1p2p n THR 70 N -3.06 0.33 -3.83 -2.88 5.66 0.19 -0.64 114.28 110.04 1p2p n THR 70 Ca -0.01 -0.26 -0.36 0.00 -3.05 0.00 0.00 64.05 60.36 1p2p n THR 70 Cb 0.17 0.02 -0.13 0.00 -1.55 0.00 0.00 70.33 68.85 1p2p n THR 70 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 175.07 171.32 1p2p s GLU 71 N -1.70 3.61 -0.01 1.09 2.56 -0.75 -4.84 118.70 118.66 1p2p s GLU 71 Ca 0.13 -0.50 -0.18 0.00 0.00 0.00 0.00 54.97 54.41 1p2p s GLU 71 Cb 0.07 -3.24 -0.06 0.00 2.00 0.00 0.00 34.13 32.91 1p2p s GLU 71 CO 0.08 -0.15 0.50 -1.12 -0.56 0.00 0.00 175.26 174.01 1p2p s SER 72 N 1.47 6.88 0.00 -1.70 0.01 -1.26 0.13 113.70 119.23 1p2p s SER 72 Ca 0.05 1.04 0.00 0.00 1.31 0.00 0.00 55.95 58.36 1p2p s SER 72 Cb -0.15 -2.31 0.00 0.00 0.21 0.00 0.00 66.02 63.77 1p2p s SER 72 CO 0.02 0.19 0.71 0.00 0.41 0.00 0.00 173.24 174.57 1p2p n TYR 73 N 2.43 0.00 -1.35 2.43 0.18 -1.26 -4.88 117.16 114.71 1p2p n TYR 73 Ca -0.10 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.68 1p2p n TYR 73 Cb 0.51 0.01 0.00 0.00 -0.38 0.00 0.00 39.34 39.48 1p2p n TYR 73 CO 0.00 0.00 0.00 -1.13 -2.08 0.00 0.00 176.86 173.65 1p2p n SER 74 N 0.00 0.00 -3.61 9.48 3.41 -1.26 -4.82 113.62 116.81 1p2p n SER 74 Ca 0.00 0.79 -0.15 0.00 -0.26 0.00 0.00 58.87 59.25 1p2p n SER 74 Cb 0.60 -1.18 -0.07 0.00 -0.26 0.00 0.00 64.21 63.29 1p2p n SER 74 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 1p2p s TYR 75 N 0.00 1.29 -0.21 7.33 -0.85 -1.26 -3.12 117.35 120.53 1p2p s TYR 75 Ca 0.00 -1.41 -0.15 0.00 -0.52 0.00 0.00 57.07 54.99 1p2p s TYR 75 Cb 0.00 -0.43 0.06 0.00 0.38 0.00 0.00 41.96 41.97 1p2p s TYR 75 CO 0.00 -0.89 0.53 -1.54 -1.52 0.00 0.00 175.55 172.13 1p2p s SER 76 N -3.25 -0.64 -0.21 -0.18 1.04 -1.23 -4.91 113.70 104.31 1p2p s SER 76 Ca 0.36 1.13 -0.10 0.00 0.48 0.00 0.00 55.95 57.82 1p2p s SER 76 Cb 0.03 1.06 -0.05 0.00 0.10 0.00 0.00 66.02 67.15 1p2p s SER 76 CO 0.20 -0.20 0.13 0.00 0.98 0.00 0.00 173.24 174.35 1p2p s SER 78 N 0.58 -1.17 -0.61 0.00 0.01 -0.71 -4.93 113.70 106.86 1p2p s SER 78 Ca 0.07 1.25 -0.04 0.00 1.31 0.00 0.00 55.95 58.54 1p2p s SER 78 Cb -0.12 2.19 0.00 0.00 0.21 0.00 0.00 66.02 68.31 1p2p s SER 78 CO 0.00 -0.22 0.53 -3.20 0.41 0.00 0.00 173.24 170.76 1p2p n ASN 79 N 5.41 -3.95 -0.41 2.44 4.05 -1.26 -2.85 115.26 118.70 1p2p n ASN 79 Ca -0.08 -0.24 -0.05 0.00 0.45 0.00 0.00 54.58 54.65 1p2p n ASN 79 Cb 0.50 -2.54 -0.02 0.00 1.23 0.00 0.00 39.78 38.95 1p2p n ASN 79 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 177.26 175.28 1p2p n THR 80 N -3.61 0.00 -3.99 -0.44 5.66 -1.26 -4.99 114.28 105.65 1p2p n THR 80 Ca 0.00 0.00 -0.34 0.00 -3.05 0.00 0.00 64.05 60.67 1p2p n THR 80 Cb 0.53 -0.88 -0.06 0.00 -1.55 0.00 0.00 70.33 68.37 1p2p n THR 80 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 1p2p s GLU 81 N -1.96 3.29 -0.26 1.09 0.41 -1.13 -4.48 118.70 115.66 1p2p s GLU 81 Ca 0.00 -0.36 0.02 0.00 -0.41 0.00 0.00 54.97 54.22 1p2p s GLU 81 Cb 0.00 -3.01 0.05 0.00 -1.78 0.00 0.00 34.13 29.39 1p2p s GLU 81 CO 0.00 0.68 -0.10 0.42 -0.49 0.00 0.00 175.26 175.77 1p2p s ILE 82 N -1.23 2.32 0.27 -1.63 1.01 -1.26 -1.74 121.20 118.93 1p2p s ILE 82 Ca 0.24 -1.50 0.06 0.00 0.00 0.00 0.00 60.65 59.45 1p2p s ILE 82 Cb -0.12 -2.32 -0.03 0.00 0.01 0.00 0.00 42.46 40.00 1p2p s ILE 82 CO 0.15 0.02 0.30 -0.89 0.00 0.00 0.00 174.94 174.52 1p2p s THR 83 N 1.15 4.51 -0.22 2.92 2.01 -1.10 -5.05 115.64 119.87 1p2p s THR 83 Ca -0.07 -1.21 -0.03 0.00 0.31 0.00 0.00 61.69 60.70 1p2p s THR 83 Cb -0.19 -3.52 0.07 0.00 0.01 0.00 0.00 72.50 68.87 1p2p s THR 83 CO -0.05 -0.29 0.06 0.00 -0.69 0.00 0.00 174.62 173.65 1p2p n ASN 85 N 5.06 -1.90 -0.73 0.00 2.85 -1.18 -4.90 115.26 114.46 1p2p n ASN 85 Ca -0.08 0.62 0.09 0.00 -0.11 0.00 0.00 54.58 55.10 1p2p n ASN 85 Cb 0.46 -1.11 0.10 0.00 1.24 0.00 0.00 39.78 40.47 1p2p n ASN 85 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 1p2p n SER 86 N 0.71 2.58 -0.02 1.20 3.41 -1.26 -3.88 113.62 116.36 1p2p n SER 86 Ca 0.09 -1.76 0.14 0.00 -0.26 0.00 0.00 58.87 57.09 1p2p n SER 86 Cb 0.49 -0.05 0.68 0.00 -0.26 0.00 0.00 64.21 65.07 1p2p n SER 86 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1p2p n LYS 87 N 0.98 0.35 -2.11 4.33 4.01 -1.26 -4.76 118.16 119.70 1p2p n LYS 87 Ca 0.11 -0.03 -0.42 0.00 -0.51 0.00 0.00 58.31 57.46 1p2p n LYS 87 Cb 0.44 -1.50 -0.03 0.00 -0.51 0.00 0.00 35.03 33.43 1p2p n LYS 87 CO 0.00 0.00 0.00 -0.80 -1.11 0.00 0.00 177.40 175.49 1p2p s ASN 88 N -2.68 6.76 0.98 4.39 0.02 -1.25 -5.01 114.94 118.15 1p2p s ASN 88 Ca 0.24 2.41 -0.13 0.00 -1.02 0.00 0.00 52.86 54.36 1p2p s ASN 88 Cb 0.20 -2.59 0.18 0.00 0.02 0.00 0.00 41.25 39.06 1p2p s ASN 88 CO 0.49 -0.70 1.11 0.54 0.02 0.00 0.00 177.10 178.57 1p2p s ASN 89 N 1.09 2.82 0.32 -1.22 2.20 -1.26 -4.74 114.94 114.16 1p2p s ASN 89 Ca 0.66 1.06 0.01 0.00 -0.94 0.00 0.00 52.86 53.65 1p2p s ASN 89 Cb -0.39 -1.68 0.55 0.00 -2.00 0.00 0.00 41.25 37.74 1p2p s ASN 89 CO 0.31 -2.99 1.96 0.00 -2.94 0.00 0.00 177.10 173.43 1p2p h ALA 90 N -1.80 1.52 -0.17 3.54 0.00 -1.96 0.77 119.26 121.15 1p2p h ALA 90 Ca -0.53 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.20 1p2p h ALA 90 Cb 1.33 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1p2p h ALA 90 CO 0.59 0.40 -0.42 0.00 0.00 0.00 0.00 179.25 179.81 1p2p h GLU 92 N 0.25 0.00 0.00 0.00 4.11 -1.89 -2.82 114.58 114.24 1p2p h GLU 92 Ca -0.00 0.00 -0.18 0.00 0.07 0.00 0.00 59.36 59.24 1p2p h GLU 92 Cb 1.03 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.26 1p2p h GLU 92 CO 0.09 0.00 -0.87 0.00 0.07 0.00 0.00 179.01 178.30 1p2p h ALA 93 N 2.17 0.57 -0.25 1.06 0.00 -0.75 -0.41 119.26 121.65 1p2p h ALA 93 Ca 0.00 -0.79 -0.11 0.00 0.00 0.00 0.00 54.91 54.01 1p2p h ALA 93 Cb 0.72 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 1p2p h ALA 93 CO 0.00 1.08 -0.27 0.35 0.00 0.00 0.00 179.25 180.41 1p2p h PHE 94 N 0.00 0.75 -0.12 0.00 3.04 -1.21 -3.10 116.94 116.31 1p2p h PHE 94 Ca -0.01 -0.23 -0.03 0.00 3.98 0.00 0.00 57.97 61.68 1p2p h PHE 94 Cb 1.54 -0.15 -0.00 0.00 2.56 0.00 0.00 35.95 39.89 1p2p h PHE 94 CO 0.00 0.96 -0.04 0.82 -2.02 0.00 0.00 178.31 178.03 1p2p h ILE 95 N 0.33 1.30 -0.95 1.41 1.08 -1.48 -2.01 117.51 117.19 1p2p h ILE 95 Ca 0.04 -1.00 0.10 0.00 -0.39 0.00 0.00 64.86 63.60 1p2p h ILE 95 Cb 0.84 1.72 -0.12 0.00 -3.07 0.00 0.00 36.82 36.19 1p2p h ILE 95 CO 0.07 0.29 -0.52 0.00 -0.69 0.00 0.00 178.15 177.29 1p2p h ASN 97 N 0.00 0.57 -0.85 0.00 4.21 -1.54 0.52 115.58 118.49 1p2p h ASN 97 Ca 0.19 -0.21 0.19 0.00 1.21 0.00 0.00 56.30 57.68 1p2p h ASN 97 Cb 0.43 -0.15 -0.11 0.00 -1.12 0.00 0.00 38.32 37.37 1p2p h ASN 97 CO -0.91 0.63 0.37 0.00 -1.29 0.00 0.00 177.43 176.23 1p2p h ASP 99 N 0.45 0.62 0.55 0.00 3.45 -0.26 -3.27 116.42 117.96 1p2p h ASP 99 Ca 0.50 -0.52 -0.16 0.00 0.43 0.00 0.00 57.03 57.28 1p2p h ASP 99 Cb 0.87 -0.19 -0.02 0.00 -0.56 0.00 0.00 39.33 39.43 1p2p h ASP 99 CO -0.47 1.33 -0.71 -0.09 -1.57 0.00 0.00 179.24 177.73 1p2p h ARG 100 N 0.25 0.13 -0.05 3.56 2.43 0.18 -2.85 114.38 118.03 1p2p h ARG 100 Ca -0.10 -0.11 -0.14 0.00 -0.81 0.00 0.00 59.98 58.81 1p2p h ARG 100 Cb 1.66 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 31.23 1p2p h ARG 100 CO 0.18 0.79 -0.61 -0.91 -1.51 0.00 0.00 179.97 177.90 1p2p h ASN 101 N 0.09 0.22 0.48 -3.80 2.35 -0.55 -1.66 115.58 112.70 1p2p h ASN 101 Ca -0.02 -0.13 -0.02 0.00 -0.55 0.00 0.00 56.30 55.58 1p2p h ASN 101 Cb 1.26 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 39.57 1p2p h ASN 101 CO 0.10 0.78 -0.23 0.00 -1.65 0.00 0.00 177.43 176.43 1p2p h ALA 102 N 1.22 -0.68 -0.94 -0.83 0.00 -1.60 -1.49 119.26 114.94 1p2p h ALA 102 Ca -0.01 -0.14 0.24 0.00 0.00 0.00 0.00 54.91 55.00 1p2p h ALA 102 Cb 1.12 0.25 -0.17 0.00 0.00 0.00 0.00 17.79 18.98 1p2p h ALA 102 CO 0.09 -0.63 -0.04 0.00 0.00 0.00 0.00 179.25 178.67 1p2p h ALA 103 N -1.25 0.98 -1.08 0.00 0.00 -1.50 0.72 119.26 117.14 1p2p h ALA 103 Ca -0.07 0.33 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1p2p h ALA 103 Cb 0.49 0.59 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1p2p h ALA 103 CO 0.11 -0.50 0.00 -0.89 0.00 0.00 0.00 179.25 177.97 1p2p n ILE 104 N -5.49 0.00 -0.25 0.00 2.08 -0.63 -2.64 119.36 112.44 1p2p n ILE 104 Ca 0.20 1.32 0.18 0.00 0.56 0.00 0.00 62.75 65.00 1p2p n ILE 104 Cb 0.64 -2.26 0.33 0.00 -0.75 0.00 0.00 39.64 37.61 1p2p n ILE 104 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1p2p h PHE 106 N 0.00 -0.58 -0.62 0.00 -1.00 0.42 -2.84 116.94 112.31 1p2p h PHE 106 Ca 0.54 -0.01 0.18 0.00 2.81 0.00 0.00 57.97 61.49 1p2p h PHE 106 Cb 1.31 0.19 -0.02 0.00 3.61 0.00 0.00 35.95 41.04 1p2p h PHE 106 CO -0.19 -0.27 0.69 0.66 -1.61 0.00 0.00 178.31 177.60 1p2p h SER 107 N -0.86 0.00 -0.57 2.17 4.64 -0.56 0.14 113.55 118.50 1p2p h SER 107 Ca -0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 1p2p h SER 107 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 1p2p h SER 107 CO 0.11 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.36 1p2p n LYS 108 N -3.57 4.03 -4.52 4.77 5.02 -1.08 -4.98 118.16 117.83 1p2p n LYS 108 Ca 0.13 -2.95 -0.23 0.00 -2.02 0.00 0.00 58.31 53.23 1p2p n LYS 108 Cb 0.91 -2.00 -0.16 0.00 -0.02 0.00 0.00 35.03 33.76 1p2p n LYS 108 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1p2p s ALA 109 N -2.25 1.12 -0.19 7.82 0.00 0.47 -5.07 121.76 123.66 1p2p s ALA 109 Ca 0.50 -0.38 -0.40 0.00 0.00 0.00 0.00 51.96 51.68 1p2p s ALA 109 Cb 0.35 -0.47 -0.17 0.00 0.00 0.00 0.00 23.12 22.84 1p2p s ALA 109 CO 0.20 0.13 1.57 -0.35 0.00 0.00 0.00 175.76 177.31 1p2p n PRO 110 N 3.60 0.91 -3.08 0.00 -0.04 -1.26 -4.79 135.00 130.34 1p2p n PRO 110 Ca -0.21 0.33 -0.45 0.00 -0.04 0.00 0.00 63.50 63.13 1p2p n PRO 110 Cb 0.52 -1.97 -0.03 0.00 -0.04 0.00 0.00 33.50 31.99 1p2p n PRO 110 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 1p2p s TYR 111 N 2.43 3.26 -0.18 0.54 6.14 -1.26 -4.45 117.35 123.83 1p2p s TYR 111 Ca 0.95 -1.44 -0.28 0.00 0.64 0.00 0.00 57.07 56.95 1p2p s TYR 111 Cb -1.11 -4.10 -0.00 0.00 0.42 0.00 0.00 41.96 37.17 1p2p s TYR 111 CO 0.62 -1.31 0.95 -0.80 0.64 0.00 0.00 175.55 175.65 1p2p s ASN 112 N 3.21 7.06 0.00 4.32 0.01 -1.26 -4.89 114.94 123.40 1p2p s ASN 112 Ca 0.24 1.32 0.27 0.00 -0.71 0.00 0.00 52.86 53.97 1p2p s ASN 112 Cb -0.11 -2.51 1.29 0.00 0.41 0.00 0.00 41.25 40.33 1p2p s ASN 112 CO -0.05 -0.52 1.90 2.29 -1.51 0.00 0.00 177.10 179.20 1p2p n LYS 113 N 5.66 0.26 -0.07 -0.60 0.00 -1.26 -3.04 118.16 119.12 1p2p n LYS 113 Ca 0.08 0.04 0.01 0.00 -0.00 0.00 0.00 58.31 58.44 1p2p n LYS 113 Cb 0.48 -1.50 0.04 0.00 -0.00 0.00 0.00 35.03 34.05 1p2p n LYS 113 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1p2p n GLU 114 N -1.35 1.31 0.00 -1.58 1.02 -1.26 -2.37 120.64 116.41 1p2p n GLU 114 Ca 0.11 -0.32 0.00 0.00 -0.02 0.00 0.00 57.16 56.92 1p2p n GLU 114 Cb 0.24 -1.31 0.00 0.00 -0.02 0.00 0.00 31.44 30.35 1p2p n GLU 114 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1p2p n HIS 115 N -0.10 0.00 -2.89 -0.32 8.25 -1.17 -4.95 115.22 114.03 1p2p n HIS 115 Ca 0.03 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.07 1p2p n HIS 115 Cb 0.21 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.27 1p2p n HIS 115 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 1p2p s LYS 116 N -0.08 4.26 -0.35 -0.41 2.20 -1.00 0.13 119.74 124.50 1p2p s LYS 116 Ca 0.00 0.99 -0.11 0.00 -0.36 0.00 0.00 55.97 56.49 1p2p s LYS 116 Cb 0.00 -3.59 0.01 0.00 -1.51 0.00 0.00 37.83 32.74 1p2p s LYS 116 CO 0.00 -0.38 0.41 0.09 -0.36 0.00 0.00 175.35 175.12 1p2p n ASN 117 N 5.44 -7.08 -4.76 1.43 4.13 -0.57 -4.93 115.26 108.91 1p2p n ASN 117 Ca 0.05 0.61 -0.29 0.00 1.68 0.00 0.00 54.58 56.63 1p2p n ASN 117 Cb 0.48 -4.74 -0.06 0.00 -1.54 0.00 0.00 39.78 33.92 1p2p n ASN 117 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1p2p s LEU 118 N -2.18 3.71 -1.32 3.41 0.20 -1.25 -4.98 118.68 116.27 1p2p s LEU 118 Ca 0.17 -0.11 -0.17 0.00 0.69 0.00 0.00 54.13 54.71 1p2p s LEU 118 Cb -0.05 -2.37 0.04 0.00 -0.43 0.00 0.00 46.19 43.38 1p2p s LEU 118 CO 0.66 0.13 1.90 -0.67 -0.29 0.00 0.00 176.35 178.08 1p2p n ASP 119 N 0.14 4.41 0.00 3.68 2.03 -1.26 -4.89 116.55 120.65 1p2p n ASP 119 Ca -0.09 -2.87 0.00 0.00 0.52 0.00 0.00 54.79 52.35 1p2p n ASP 119 Cb 0.53 -1.70 0.00 0.00 -0.72 0.00 0.00 41.12 39.23 1p2p n ASP 119 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 1p2p n THR 120 N 6.12 0.00 -0.82 5.18 -1.04 -1.26 -0.90 114.28 121.55 1p2p n THR 120 Ca 0.50 0.18 -0.27 0.00 -2.04 0.00 0.00 64.05 62.42 1p2p n THR 120 Cb 0.44 -0.39 -0.03 0.00 -1.82 0.00 0.00 70.33 68.53 1p2p n THR 120 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1p2p n LYS 121 N 0.00 1.89 0.17 -2.82 4.76 -1.26 -2.79 118.16 118.11 1p2p n LYS 121 Ca 0.00 -1.53 0.00 0.00 -2.87 0.00 0.00 58.31 53.91 1p2p n LYS 121 Cb 0.00 -2.56 0.00 0.00 -1.84 0.00 0.00 35.03 30.63 1p2p n LYS 121 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1p2p n LYS 122 N 4.92 0.00 -3.63 1.97 4.81 -0.53 -4.97 118.16 120.73 1p2p n LYS 122 Ca 0.44 0.00 -0.31 0.00 -0.87 0.00 0.00 58.31 57.57 1p2p n LYS 122 Cb 0.19 0.00 -0.08 0.00 0.02 0.00 0.00 35.03 35.16 1p2p n LYS 122 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1p2p n TYR 123 N -3.21 3.60 -0.99 5.64 4.01 -0.08 -5.09 117.16 121.05 1p2p n TYR 123 Ca 0.00 -4.09 0.00 0.00 -0.16 0.00 0.00 57.90 53.65 1p2p n TYR 123 Cb 0.00 -0.82 0.00 0.00 -0.31 0.00 0.00 39.34 38.21 1p2p n TYR 123 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40