#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pny s VAL -4 N 0.00 5.13 0.30 4.08 1.01 -1.26 -5.04 120.40 124.61 2pny s VAL -4 Ca 0.00 0.91 -0.29 0.00 0.00 0.00 0.00 61.98 62.60 2pny s VAL -4 Cb 0.00 -3.82 -0.10 0.00 0.00 0.00 0.00 36.38 32.46 2pny s VAL -4 CO 0.00 0.20 1.19 -2.16 0.00 0.00 0.00 175.10 174.33 2pny s PRO -3 N 1.52 4.52 -0.25 2.72 0.04 -1.26 -5.01 135.00 137.28 2pny s PRO -3 Ca 0.23 1.98 0.02 0.00 0.04 0.00 0.00 61.00 63.27 2pny s PRO -3 Cb -0.15 -3.14 0.06 0.00 0.04 0.00 0.00 34.50 31.31 2pny s PRO -3 CO 0.09 0.03 -0.07 1.03 0.04 0.00 0.00 177.00 178.13 2pny s ARG -2 N -1.55 1.82 0.20 4.56 1.81 -1.26 -4.98 118.95 119.55 2pny s ARG -2 Ca 0.47 -1.13 -0.08 0.00 -1.72 0.00 0.00 55.73 53.27 2pny s ARG -2 Cb -0.35 -2.70 0.12 0.00 -0.45 0.00 0.00 34.95 31.57 2pny s ARG -2 CO 0.46 -0.60 1.66 0.78 -0.68 0.00 0.00 175.30 176.92 2pny h GLY -1 N 7.89 1.09 -1.58 -3.53 0.00 -2.03 -3.46 103.07 101.46 2pny h GLY -1 Ca -0.18 -0.80 0.05 0.00 0.00 0.00 0.00 47.33 46.39 2pny h GLY -1 CO 0.43 0.74 0.31 -1.35 0.00 0.00 0.00 176.54 176.67 2pny s SER 0 N -6.60 -0.10 0.42 0.19 1.04 -1.26 -5.02 113.70 102.36 2pny s SER 0 Ca -0.11 -0.85 0.12 0.00 0.48 0.00 0.00 55.95 55.59 2pny s SER 0 Cb 0.14 0.74 0.97 0.00 0.10 0.00 0.00 66.02 67.97 2pny s SER 0 CO 0.85 -1.43 1.98 -0.03 0.98 0.00 0.00 173.24 175.59 2pny h MET 1 N 2.00 0.46 -0.72 4.02 4.05 -2.04 -2.53 114.93 120.17 2pny h MET 1 Ca -0.26 -0.03 0.21 0.00 -0.28 0.00 0.00 59.70 59.34 2pny h MET 1 Cb 1.24 -0.10 -0.03 0.00 -0.80 0.00 0.00 31.60 31.91 2pny h MET 1 CO 0.33 0.30 0.76 0.66 0.23 0.00 0.00 176.91 179.19 2pny h SER 2 N 0.47 0.00 -0.62 1.39 4.64 -1.99 0.21 113.55 117.65 2pny h SER 2 Ca 0.28 0.00 0.16 0.00 -0.47 0.00 0.00 61.79 61.75 2pny h SER 2 Cb 0.46 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.52 2pny h SER 2 CO -0.08 0.00 0.44 0.44 -0.87 0.00 0.00 176.83 176.76 2pny h ASP 3 N 0.00 0.14 0.09 4.97 5.19 -1.88 -2.60 116.42 122.33 2pny h ASP 3 Ca 0.34 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.76 2pny h ASP 3 Cb 1.86 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 41.35 2pny h ASP 3 CO -0.00 0.08 -0.32 2.30 -3.12 0.00 0.00 179.24 178.17 2pny n ILE 4 N -4.41 0.00 -1.67 0.35 -6.64 0.75 -4.95 119.36 102.78 2pny n ILE 4 Ca 0.12 -0.22 -0.47 0.00 -1.77 0.00 0.00 62.75 60.41 2pny n ILE 4 Cb 0.59 0.86 -0.04 0.00 -1.44 0.00 0.00 39.64 39.60 2pny n ILE 4 CO 0.00 0.00 0.00 -3.20 -1.77 0.00 0.00 176.55 171.58 2pny n ASN 5 N -0.18 3.27 -2.48 7.28 5.15 -0.98 -4.92 115.26 122.40 2pny n ASN 5 Ca 0.11 1.03 -0.15 0.00 -0.60 0.00 0.00 54.58 54.98 2pny n ASN 5 Cb 0.42 -1.40 0.03 0.00 -0.53 0.00 0.00 39.78 38.29 2pny n ASN 5 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2pny n LEU 6 N 4.97 3.21 0.26 1.20 4.77 -1.26 -4.94 117.00 125.21 2pny n LEU 6 Ca 0.20 -4.13 0.14 0.00 -0.03 0.00 0.00 56.01 52.19 2pny n LEU 6 Cb 0.29 0.03 0.65 0.00 -2.33 0.00 0.00 43.42 42.06 2pny n LEU 6 CO 0.68 1.71 0.93 -2.24 -1.33 0.00 0.00 177.39 177.14 2pny h ASP 7 N 2.55 0.00 1.04 -1.43 2.03 -2.00 -2.14 116.42 116.48 2pny h ASP 7 Ca 0.11 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.41 2pny h ASP 7 Cb 1.27 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.77 2pny h ASP 7 CO 0.55 0.11 0.00 -2.67 -1.03 0.00 0.00 179.24 176.20 2pny n TRP 8 N -3.32 0.23 -3.44 4.15 2.14 -1.26 -4.85 117.44 111.09 2pny n TRP 8 Ca -0.00 0.07 -0.38 0.00 2.07 0.00 0.00 57.50 59.25 2pny n TRP 8 Cb 0.32 -0.61 -0.06 0.00 -0.81 0.00 0.00 31.31 30.15 2pny n TRP 8 CO 0.00 0.00 0.00 0.08 2.07 0.00 0.00 177.69 179.84 2pny s VAL 9 N -3.03 4.98 0.72 -1.67 1.01 -0.81 -4.07 120.40 117.53 2pny s VAL 9 Ca 0.12 0.93 -0.05 0.00 0.00 0.00 0.00 61.98 62.98 2pny s VAL 9 Cb 0.16 -3.76 0.09 0.00 0.00 0.00 0.00 36.38 32.88 2pny s VAL 9 CO 0.51 0.55 1.01 1.51 0.00 0.00 0.00 175.10 178.69 2pny s ASP 10 N -0.94 4.55 0.31 3.32 1.47 -1.25 -4.87 116.67 119.27 2pny s ASP 10 Ca 0.25 0.15 0.01 0.00 1.18 0.00 0.00 52.55 54.14 2pny s ASP 10 Cb -0.17 -0.69 0.52 0.00 -0.34 0.00 0.00 42.92 42.24 2pny s ASP 10 CO 0.14 -1.74 1.89 0.03 0.68 0.00 0.00 175.17 176.17 2pny h ARG 11 N -0.61 0.74 -0.29 2.11 3.08 -1.98 -1.08 114.38 116.35 2pny h ARG 11 Ca -0.42 -0.12 -0.02 0.00 0.07 0.00 0.00 59.98 59.48 2pny h ARG 11 Cb 1.29 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 31.20 2pny h ARG 11 CO 0.51 0.64 0.09 -0.09 -1.07 0.00 0.00 179.97 180.04 2pny h ARG 12 N 0.72 0.46 -0.26 0.04 2.43 -1.98 -1.03 114.38 114.76 2pny h ARG 12 Ca 0.17 -0.10 -0.11 0.00 -0.81 0.00 0.00 59.98 59.13 2pny h ARG 12 Cb 0.21 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 2pny h ARG 12 CO -0.01 0.52 -0.28 1.96 -1.51 0.00 0.00 179.97 180.65 2pny h GLN 13 N 0.31 0.53 -0.74 0.20 1.08 -1.80 -2.18 115.11 112.51 2pny h GLN 13 Ca 0.09 -0.21 -0.01 0.00 -1.45 0.00 0.00 58.65 57.07 2pny h GLN 13 Cb 0.25 -0.02 -0.04 0.00 -0.05 0.00 0.00 27.48 27.63 2pny h GLN 13 CO -0.00 0.76 0.44 -0.07 -0.95 0.00 0.00 178.83 179.00 2pny h LEU 14 N 0.46 0.89 -1.10 1.46 3.38 -1.00 -2.76 115.31 116.63 2pny h LEU 14 Ca 0.06 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 2pny h LEU 14 Cb 0.73 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 2pny h LEU 14 CO 0.06 0.70 0.14 1.56 0.09 0.00 0.00 178.44 180.99 2pny h GLN 15 N 1.01 0.78 0.00 1.13 4.20 -0.84 -2.53 115.11 118.86 2pny h GLN 15 Ca 0.26 -0.14 0.00 0.00 0.06 0.00 0.00 58.65 58.83 2pny h GLN 15 Cb -0.02 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 27.63 2pny h GLN 15 CO -0.05 0.69 0.00 0.00 -0.67 0.00 0.00 178.83 178.80 2pny h ARG 16 N 0.76 0.00 0.00 1.46 3.08 -1.11 -2.38 114.38 116.19 2pny h ARG 16 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.22 2pny h ARG 16 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.30 2pny h ARG 16 CO -0.01 0.00 0.00 -0.07 -1.07 0.00 0.00 179.97 178.82 2pny h LEU 17 N 0.00 0.00 -0.68 3.04 3.38 -1.35 -1.35 115.31 118.34 2pny h LEU 17 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2pny h LEU 17 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 2pny h LEU 17 CO 0.00 0.00 -0.07 -0.62 0.09 0.00 0.00 178.44 177.84 2pny n GLU 18 N -2.98 1.31 -1.74 1.13 -0.58 -0.90 -1.49 120.64 115.39 2pny n GLU 18 Ca -0.02 -0.68 -0.41 0.00 -0.42 0.00 0.00 57.16 55.63 2pny n GLU 18 Cb 0.12 -1.49 0.01 0.00 -0.57 0.00 0.00 31.44 29.51 2pny n GLU 18 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2pny n GLU 19 N -0.25 2.32 -3.22 3.49 1.02 -0.51 -4.72 120.64 118.78 2pny n GLU 19 Ca 0.17 0.82 -0.41 0.00 -0.02 0.00 0.00 57.16 57.73 2pny n GLU 19 Cb 0.32 -2.55 -0.08 0.00 -0.02 0.00 0.00 31.44 29.12 2pny n GLU 19 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 2pny s MET 20 N -2.18 3.81 0.48 3.49 -1.94 -1.26 -0.95 119.30 120.75 2pny s MET 20 Ca 0.57 0.07 0.06 0.00 -1.71 0.00 0.00 55.69 54.68 2pny s MET 20 Cb -0.49 -3.74 0.03 0.00 2.01 0.00 0.00 34.83 32.63 2pny s MET 20 CO 0.61 -0.54 0.67 -0.51 -0.01 0.00 0.00 175.02 175.24 2pny s LEU 21 N 2.41 3.47 -0.34 -0.03 1.43 0.53 -0.91 118.68 125.24 2pny s LEU 21 Ca 0.21 -0.33 -0.12 0.00 -1.03 0.00 0.00 54.13 52.85 2pny s LEU 21 Cb -0.15 -2.60 -0.01 0.00 0.03 0.00 0.00 46.19 43.45 2pny s LEU 21 CO 0.12 -0.97 0.23 -0.63 0.23 0.00 0.00 176.35 175.33 2pny s ILE 22 N -2.53 5.18 0.01 -0.59 1.01 -1.25 -2.61 121.20 120.42 2pny s ILE 22 Ca 0.57 -0.28 -0.23 0.00 0.00 0.00 0.00 60.65 60.71 2pny s ILE 22 Cb -0.10 -3.67 -0.05 0.00 0.01 0.00 0.00 42.46 38.65 2pny s ILE 22 CO 0.36 -0.02 0.68 -0.69 0.00 0.00 0.00 174.94 175.27 2pny s VAL 23 N 1.70 4.85 0.17 2.92 1.01 0.26 -1.20 120.40 130.11 2pny s VAL 23 Ca 0.06 1.43 0.03 0.00 0.00 0.00 0.00 61.98 63.50 2pny s VAL 23 Cb -0.17 -4.02 -0.05 0.00 0.00 0.00 0.00 36.38 32.14 2pny s VAL 23 CO 0.10 0.37 -0.03 0.68 0.00 0.00 0.00 175.10 176.22 2pny s VAL 24 N -0.01 0.87 0.49 2.92 -7.23 -0.42 -0.43 120.40 116.60 2pny s VAL 24 Ca 0.35 -2.01 -0.02 0.00 -1.81 0.00 0.00 61.98 58.49 2pny s VAL 24 Cb -0.19 -2.04 0.10 0.00 0.56 0.00 0.00 36.38 34.81 2pny s VAL 24 CO 0.20 -0.56 0.68 -0.90 -0.31 0.00 0.00 175.10 174.20 2pny n ASP 25 N -0.24 0.67 0.12 4.85 5.68 -0.30 -4.40 116.55 122.94 2pny n ASP 25 Ca -0.08 -1.62 0.11 0.00 -0.50 0.00 0.00 54.79 52.70 2pny n ASP 25 Cb 0.62 -0.46 0.48 0.00 -1.14 0.00 0.00 41.12 40.62 2pny n ASP 25 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2pny n GLU 26 N -2.30 0.17 -0.56 0.11 1.02 -1.26 -1.28 120.64 116.53 2pny n GLU 26 Ca 0.10 0.45 0.09 0.00 -0.02 0.00 0.00 57.16 57.78 2pny n GLU 26 Cb 0.37 -1.85 0.33 0.00 -0.02 0.00 0.00 31.44 30.27 2pny n GLU 26 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2pny n ASN 27 N -2.16 4.49 -0.94 1.62 3.02 -1.26 -4.95 115.26 115.08 2pny n ASN 27 Ca 0.02 -2.49 -0.10 0.00 -0.03 0.00 0.00 54.58 51.98 2pny n ASN 27 Cb 0.19 -0.54 -0.02 0.00 -0.61 0.00 0.00 39.78 38.80 2pny n ASN 27 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2pny n ASP 28 N 0.83 -3.65 -4.74 6.41 2.03 -0.41 -5.01 116.55 112.02 2pny n ASP 28 Ca 0.24 0.10 -0.38 0.00 0.52 0.00 0.00 54.79 55.27 2pny n ASP 28 Cb 0.85 -2.52 -0.06 0.00 -0.72 0.00 0.00 41.12 38.67 2pny n ASP 28 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2pny s LYS 29 N -3.76 4.27 0.07 -0.67 -0.14 -1.26 -4.84 119.74 113.40 2pny s LYS 29 Ca 0.00 0.42 -0.31 0.00 -1.36 0.00 0.00 55.97 54.72 2pny s LYS 29 Cb 0.00 -3.40 -0.09 0.00 -1.68 0.00 0.00 37.83 32.66 2pny s LYS 29 CO 0.00 0.25 1.73 0.08 -0.76 0.00 0.00 175.35 176.65 2pny s VAL 30 N 0.32 2.97 -0.12 3.17 1.01 -1.26 -1.15 120.40 125.34 2pny s VAL 30 Ca 0.25 0.35 0.05 0.00 0.00 0.00 0.00 61.98 62.63 2pny s VAL 30 Cb -0.15 -3.23 -0.07 0.00 0.00 0.00 0.00 36.38 32.93 2pny s VAL 30 CO 0.10 -0.01 0.16 2.30 0.00 0.00 0.00 175.10 177.65 2pny n ILE 31 N 4.88 0.00 -3.44 2.22 -5.35 0.43 -4.94 119.36 113.17 2pny n ILE 31 Ca 0.17 -0.25 0.00 0.00 -0.27 0.00 0.00 62.75 62.40 2pny n ILE 31 Cb 0.40 0.69 0.00 0.00 -1.74 0.00 0.00 39.64 38.99 2pny n ILE 31 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2pny n GLY 32 N 1.68 -0.59 3.30 3.28 0.00 -1.10 -5.01 105.19 106.75 2pny n GLY 32 Ca -0.00 -0.83 -0.25 0.00 0.00 0.00 0.00 46.02 44.93 2pny n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pny s ALA 33 N -1.00 1.92 0.21 4.61 0.00 -1.26 -0.58 121.76 125.67 2pny s ALA 33 Ca 0.00 -1.27 -0.20 0.00 0.00 0.00 0.00 51.96 50.49 2pny s ALA 33 Cb 0.00 -0.29 0.04 0.00 0.00 0.00 0.00 23.12 22.87 2pny s ALA 33 CO 0.00 0.40 0.61 0.34 0.00 0.00 0.00 175.76 177.11 2pny s ASP 34 N -1.85 -0.35 0.67 0.00 -1.08 -1.07 -4.87 116.67 108.12 2pny s ASP 34 Ca 0.08 -0.39 -0.12 0.00 -0.52 0.00 0.00 52.55 51.60 2pny s ASP 34 Cb -0.10 0.63 -0.00 0.00 -1.46 0.00 0.00 42.92 41.99 2pny s ASP 34 CO 0.04 -1.12 1.06 0.42 0.52 0.00 0.00 175.17 176.08 2pny s THR 35 N -3.86 4.04 0.20 1.71 -4.23 -1.26 -0.35 115.64 111.90 2pny s THR 35 Ca 0.08 0.72 -0.11 0.00 -1.18 0.00 0.00 61.69 61.20 2pny s THR 35 Cb -0.03 -3.43 0.12 0.00 1.34 0.00 0.00 72.50 70.51 2pny s THR 35 CO -0.02 -0.81 1.82 0.50 -0.54 0.00 0.00 174.62 175.56 2pny h LYS 36 N -0.47 0.68 -0.03 3.99 3.64 -0.84 -0.16 116.57 123.39 2pny h LYS 36 Ca -0.44 -0.04 0.03 0.00 -1.27 0.00 0.00 60.65 58.93 2pny h LYS 36 Cb 1.21 -0.15 -0.06 0.00 -0.41 0.00 0.00 32.23 32.82 2pny h LYS 36 CO 0.57 0.45 -0.38 -0.09 -2.27 0.00 0.00 179.45 177.73 2pny h ARG 37 N 0.70 -0.50 -0.73 1.90 2.43 -1.56 -2.12 114.38 114.51 2pny h ARG 37 Ca 0.26 0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.42 2pny h ARG 37 Cb 0.09 0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.72 2pny h ARG 37 CO -0.13 -0.34 0.27 -0.91 -1.51 0.00 0.00 179.97 177.35 2pny h ASN 38 N -0.52 1.01 0.91 -3.80 2.35 -1.68 -2.44 115.58 111.40 2pny h ASN 38 Ca 0.06 -0.16 0.00 0.00 -0.55 0.00 0.00 56.30 55.65 2pny h ASN 38 Cb 0.62 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.72 2pny h ASN 38 CO -0.32 0.91 0.00 0.00 -1.65 0.00 0.00 177.43 176.38 2pny n HIS 40 N -3.00 0.53 -3.07 0.00 8.25 -0.82 -4.62 115.22 112.49 2pny n HIS 40 Ca 0.00 -0.57 -0.40 0.00 -0.26 0.00 0.00 57.72 56.49 2pny n HIS 40 Cb 0.28 -0.08 -0.05 0.00 1.12 0.00 0.00 29.99 31.25 2pny n HIS 40 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2pny s LEU 41 N -1.35 4.20 0.34 2.41 1.43 -1.11 -0.72 118.68 123.88 2pny s LEU 41 Ca 0.26 0.98 0.04 0.00 -1.03 0.00 0.00 54.13 54.38 2pny s LEU 41 Cb 0.16 -2.99 0.67 0.00 0.03 0.00 0.00 46.19 44.06 2pny s LEU 41 CO 0.14 -0.24 1.94 0.78 0.23 0.00 0.00 176.35 179.20 2pny h ASN 42 N 7.23 0.75 -0.38 2.29 2.35 -0.92 -0.96 115.58 125.95 2pny h ASN 42 Ca -0.34 0.00 0.11 0.00 -0.55 0.00 0.00 56.30 55.53 2pny h ASN 42 Cb 1.16 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 39.35 2pny h ASN 42 CO 0.78 0.48 0.29 1.05 -1.65 0.00 0.00 177.43 178.38 2pny h GLU 43 N 0.85 0.00 0.09 0.81 4.11 -1.90 0.68 114.58 119.22 2pny h GLU 43 Ca 0.34 0.00 -0.36 0.00 0.07 0.00 0.00 59.36 59.41 2pny h GLU 43 Cb 0.25 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.47 2pny h GLU 43 CO -0.12 0.00 -2.03 0.09 0.07 0.00 0.00 179.01 177.02 2pny n ASN 44 N -4.29 1.91 -0.30 3.06 3.02 -0.53 -4.04 115.26 114.10 2pny n ASN 44 Ca 0.06 0.19 -0.01 0.00 -0.03 0.00 0.00 54.58 54.79 2pny n ASN 44 Cb 0.47 -0.67 0.17 0.00 -0.61 0.00 0.00 39.78 39.14 2pny n ASN 44 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 2pny h ILE 45 N 0.05 1.23 0.00 2.41 2.04 -0.73 -1.31 117.51 121.20 2pny h ILE 45 Ca -0.43 -0.46 0.00 0.00 1.00 0.00 0.00 64.86 64.97 2pny h ILE 45 Cb 2.02 -0.03 0.00 0.00 -0.74 0.00 0.00 36.82 38.07 2pny h ILE 45 CO 0.07 0.23 0.00 -0.33 0.00 0.00 0.00 178.15 178.12 2pny h GLU 46 N 1.19 0.00 -0.01 2.37 4.39 -1.04 0.24 114.58 121.72 2pny h GLU 46 Ca 0.32 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.02 2pny h GLU 46 Cb -0.10 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.55 2pny h GLU 46 CO -0.06 0.00 -0.22 1.63 -1.16 0.00 0.00 179.01 179.20 2pny n LYS 47 N -2.74 0.70 0.00 2.33 5.02 -0.54 -4.93 118.16 118.00 2pny n LYS 47 Ca 0.01 -0.36 0.00 0.00 -2.02 0.00 0.00 58.31 55.94 2pny n LYS 47 Cb 0.24 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.75 2pny n LYS 47 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2pny n GLY 48 N 1.34 0.90 3.67 0.72 0.00 0.07 -5.07 105.19 106.81 2pny n GLY 48 Ca 0.12 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.68 2pny n GLY 48 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2pny n LEU 49 N 0.00 3.24 -3.84 0.99 7.94 -0.95 -4.96 117.00 119.42 2pny n LEU 49 Ca 0.00 1.06 -0.13 0.00 -1.11 0.00 0.00 56.01 55.83 2pny n LEU 49 Cb 0.00 -1.43 -0.14 0.00 0.53 0.00 0.00 43.42 42.38 2pny n LEU 49 CO 0.00 -0.21 -0.32 -0.22 -1.11 0.00 0.00 177.39 175.53 2pny s LEU 50 N 1.55 1.72 0.14 -1.96 2.96 -1.26 -4.50 118.68 117.32 2pny s LEU 50 Ca 0.81 0.07 0.05 0.00 -0.22 0.00 0.00 54.13 54.84 2pny s LEU 50 Cb -0.66 0.10 -0.04 0.00 0.50 0.00 0.00 46.19 46.08 2pny s LEU 50 CO 0.40 -0.03 -0.11 -1.38 -1.32 0.00 0.00 176.35 173.90 2pny s HIS 51 N 0.21 1.30 0.34 5.38 -3.43 -1.12 -1.30 115.29 116.67 2pny s HIS 51 Ca -0.02 -0.69 -0.26 0.00 -0.80 0.00 0.00 55.06 53.30 2pny s HIS 51 Cb -0.02 -0.67 -0.10 0.00 -1.43 0.00 0.00 32.58 30.37 2pny s HIS 51 CO -0.01 0.11 0.99 0.50 -2.00 0.00 0.00 174.74 174.33 2pny s ARG 52 N -3.38 4.46 0.35 -0.38 3.52 -0.34 -1.42 118.95 121.75 2pny s ARG 52 Ca 0.14 1.43 -0.08 0.00 -0.13 0.00 0.00 55.73 57.08 2pny s ARG 52 Cb -0.00 -2.75 0.02 0.00 -1.56 0.00 0.00 34.95 30.66 2pny s ARG 52 CO 0.02 0.14 0.59 0.00 -0.81 0.00 0.00 175.30 175.24 2pny s ALA 53 N -1.59 0.12 0.09 6.12 0.00 -0.36 -4.28 121.76 121.85 2pny s ALA 53 Ca 0.52 -1.17 -0.05 0.00 0.00 0.00 0.00 51.96 51.27 2pny s ALA 53 Cb -0.21 0.97 -0.02 0.00 0.00 0.00 0.00 23.12 23.86 2pny s ALA 53 CO 0.26 -0.87 0.09 -0.59 0.00 0.00 0.00 175.76 174.65 2pny s PHE 54 N -2.89 0.42 -0.04 0.00 -0.12 0.09 -0.55 117.98 114.89 2pny s PHE 54 Ca 0.24 -0.89 0.03 0.00 -0.05 0.00 0.00 56.93 56.26 2pny s PHE 54 Cb -0.02 -0.25 0.00 0.00 -0.63 0.00 0.00 43.02 42.12 2pny s PHE 54 CO 0.16 -0.49 -0.12 -1.12 -0.05 0.00 0.00 175.22 173.60 2pny s SER 55 N -2.92 1.61 -0.09 1.98 0.01 0.21 -2.15 113.70 112.36 2pny s SER 55 Ca 0.10 -0.26 -0.01 0.00 1.31 0.00 0.00 55.95 57.09 2pny s SER 55 Cb 0.06 -0.49 -0.03 0.00 0.21 0.00 0.00 66.02 65.77 2pny s SER 55 CO -0.08 0.09 -0.03 -0.69 0.41 0.00 0.00 173.24 172.95 2pny s VAL 56 N 0.22 4.06 -0.28 3.43 1.01 0.85 -0.59 120.40 129.11 2pny s VAL 56 Ca -0.05 -0.34 -0.02 0.00 0.00 0.00 0.00 61.98 61.57 2pny s VAL 56 Cb -0.11 -2.70 0.04 0.00 0.00 0.00 0.00 36.38 33.61 2pny s VAL 56 CO 0.01 0.59 -0.02 0.68 0.00 0.00 0.00 175.10 176.36 2pny s VAL 57 N -0.73 2.99 -0.18 2.92 -7.23 0.66 -1.43 120.40 117.40 2pny s VAL 57 Ca 0.11 -1.19 -0.05 0.00 -1.81 0.00 0.00 61.98 59.05 2pny s VAL 57 Cb -0.11 -2.62 -0.03 0.00 0.56 0.00 0.00 36.38 34.18 2pny s VAL 57 CO 0.02 0.04 -0.01 -0.22 -0.31 0.00 0.00 175.10 174.62 2pny s LEU 58 N 1.30 3.30 -0.03 1.32 0.20 -1.26 -1.44 118.68 122.07 2pny s LEU 58 Ca -0.02 -0.15 0.07 0.00 0.69 0.00 0.00 54.13 54.71 2pny s LEU 58 Cb -0.18 -1.82 -0.02 0.00 -0.43 0.00 0.00 46.19 43.74 2pny s LEU 58 CO -0.02 0.12 -0.23 -0.36 -0.29 0.00 0.00 176.35 175.57 2pny s PHE 59 N 0.69 2.44 0.96 5.38 0.08 0.16 -0.67 117.98 127.02 2pny s PHE 59 Ca -0.01 -0.36 -0.15 0.00 0.12 0.00 0.00 56.93 56.54 2pny s PHE 59 Cb -0.14 -1.54 0.22 0.00 -0.57 0.00 0.00 43.02 40.99 2pny s PHE 59 CO 0.02 0.03 1.31 0.54 -0.10 0.00 0.00 175.22 177.02 2pny s ASN 60 N -0.66 2.97 0.00 1.36 2.20 -0.17 -1.02 114.94 119.62 2pny s ASN 60 Ca 0.10 0.05 0.26 0.00 -0.94 0.00 0.00 52.86 52.34 2pny s ASN 60 Cb -0.10 -0.03 1.36 0.00 -2.00 0.00 0.00 41.25 40.48 2pny s ASN 60 CO -0.00 -2.81 1.90 0.35 -2.94 0.00 0.00 177.10 173.60 2pny n THR 61 N -3.74 0.13 -0.10 0.54 -2.24 -1.26 -1.33 114.28 106.28 2pny n THR 61 Ca 0.17 0.03 0.07 0.00 -2.27 0.00 0.00 64.05 62.05 2pny n THR 61 Cb 0.59 -0.60 0.27 0.00 -2.10 0.00 0.00 70.33 68.50 2pny n THR 61 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2pny n LYS 62 N -1.26 3.15 -2.67 -0.78 4.76 -1.26 -4.96 118.16 115.14 2pny n LYS 62 Ca 0.13 -2.17 -0.19 0.00 -2.87 0.00 0.00 58.31 53.21 2pny n LYS 62 Cb 0.20 -1.78 0.00 0.00 -1.84 0.00 0.00 35.03 31.61 2pny n LYS 62 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2pny n ASN 63 N 0.76 -5.13 -4.82 4.39 3.02 -0.44 -5.00 115.26 108.04 2pny n ASN 63 Ca 0.20 -0.06 -0.38 0.00 -0.03 0.00 0.00 54.58 54.30 2pny n ASN 63 Cb 0.73 -4.25 -0.06 0.00 -0.61 0.00 0.00 39.78 35.59 2pny n ASN 63 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2pny s ARG 64 N -5.31 4.05 0.02 3.52 0.52 -1.26 -4.47 118.95 116.02 2pny s ARG 64 Ca 0.12 0.54 -0.12 0.00 -0.52 0.00 0.00 55.73 55.75 2pny s ARG 64 Cb -0.06 -3.24 -0.05 0.00 0.52 0.00 0.00 34.95 32.12 2pny s ARG 64 CO 0.15 0.64 0.37 -1.50 0.02 0.00 0.00 175.30 174.98 2pny s ILE 65 N -0.98 5.11 -0.35 1.52 2.07 0.67 -1.00 121.20 128.25 2pny s ILE 65 Ca 0.26 0.61 -0.27 0.00 -1.41 0.00 0.00 60.65 59.83 2pny s ILE 65 Cb -0.18 -3.65 0.02 0.00 0.13 0.00 0.00 42.46 38.78 2pny s ILE 65 CO 0.15 0.47 1.00 -0.22 -1.91 0.00 0.00 174.94 174.43 2pny s LEU 66 N -1.40 3.95 -0.30 8.50 0.20 0.16 -0.79 118.68 128.99 2pny s LEU 66 Ca 0.26 0.80 -0.07 0.00 0.69 0.00 0.00 54.13 55.81 2pny s LEU 66 Cb -0.15 -3.40 0.01 0.00 -0.43 0.00 0.00 46.19 42.23 2pny s LEU 66 CO 0.14 -0.87 0.08 -0.63 -0.29 0.00 0.00 176.35 174.78 2pny s ILE 67 N 3.58 3.94 0.35 6.68 -1.09 0.96 -3.12 121.20 132.50 2pny s ILE 67 Ca 0.42 -0.77 -0.25 0.00 -2.23 0.00 0.00 60.65 57.82 2pny s ILE 67 Cb -0.12 -3.06 -0.10 0.00 -1.58 0.00 0.00 42.46 37.60 2pny s ILE 67 CO 0.18 0.03 0.96 -1.10 -1.23 0.00 0.00 174.94 173.78 2pny s GLN 68 N 1.48 4.49 -0.25 2.79 -0.21 -1.07 -1.18 119.66 125.71 2pny s GLN 68 Ca 0.02 1.31 -0.10 0.00 0.02 0.00 0.00 55.36 56.61 2pny s GLN 68 Cb -0.18 -2.67 -0.05 0.00 1.00 0.00 0.00 33.01 31.12 2pny s GLN 68 CO 0.02 0.19 0.15 -1.14 -2.12 0.00 0.00 175.29 172.39 2pny s GLN 69 N -2.28 3.97 0.39 2.91 0.74 0.17 -0.50 119.66 125.05 2pny s GLN 69 Ca 0.53 -0.32 -0.27 0.00 0.05 0.00 0.00 55.36 55.35 2pny s GLN 69 Cb -0.17 -3.53 -0.09 0.00 1.10 0.00 0.00 33.01 30.32 2pny s GLN 69 CO 0.22 -0.04 1.33 1.03 -0.55 0.00 0.00 175.29 177.29 2pny s ARG 70 N 1.32 4.06 0.67 1.67 0.52 0.07 -0.77 118.95 126.49 2pny s ARG 70 Ca 0.07 2.24 -0.17 0.00 -0.52 0.00 0.00 55.73 57.34 2pny s ARG 70 Cb -0.15 -2.85 -0.02 0.00 0.52 0.00 0.00 34.95 32.45 2pny s ARG 70 CO 0.06 -0.44 0.97 0.45 0.02 0.00 0.00 175.30 176.36 2pny n SER 71 N 0.31 0.66 0.04 0.23 2.88 -0.29 -1.53 113.62 115.92 2pny n SER 71 Ca 0.03 0.73 0.06 0.00 -1.33 0.00 0.00 58.87 58.36 2pny n SER 71 Cb 0.42 -1.40 0.27 0.00 -0.75 0.00 0.00 64.21 62.75 2pny n SER 71 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2pny n ASP 72 N -1.26 0.17 -0.90 -3.46 8.00 -1.26 -2.26 116.55 115.57 2pny n ASP 72 Ca 0.14 0.56 0.11 0.00 0.71 0.00 0.00 54.79 56.31 2pny n ASP 72 Cb 0.49 -0.59 0.27 0.00 -0.02 0.00 0.00 41.12 41.27 2pny n ASP 72 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 2pny n THR 73 N -1.70 0.32 -2.35 -3.53 -2.24 -1.26 -4.70 114.28 98.83 2pny n THR 73 Ca 0.02 -0.56 -0.39 0.00 -2.27 0.00 0.00 64.05 60.85 2pny n THR 73 Cb 0.11 0.81 -0.03 0.00 -2.10 0.00 0.00 70.33 69.12 2pny n THR 73 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2pny s LYS 74 N -1.68 4.20 0.13 -0.78 -0.14 -1.06 -3.80 119.74 116.63 2pny s LYS 74 Ca 0.35 1.82 -0.16 0.00 -1.36 0.00 0.00 55.97 56.62 2pny s LYS 74 Cb 0.21 -2.79 -0.01 0.00 -1.68 0.00 0.00 37.83 33.56 2pny s LYS 74 CO 0.30 -0.18 1.69 0.28 -0.76 0.00 0.00 175.35 176.67 2pny h VAL 75 N 2.51 1.19 -3.39 3.17 2.07 -1.92 -3.37 116.25 116.51 2pny h VAL 75 Ca -0.48 -0.58 -0.68 0.00 0.82 0.00 0.00 66.70 65.78 2pny h VAL 75 Cb 1.23 0.84 -0.16 0.00 -1.52 0.00 0.00 31.29 31.68 2pny h VAL 75 CO 0.63 0.21 -0.64 0.42 0.02 0.00 0.00 177.57 178.22 2pny s THR 76 N -5.58 4.18 -1.43 2.57 -4.23 -1.26 -4.67 115.64 105.22 2pny s THR 76 Ca -0.13 -0.29 -0.00 0.00 -1.18 0.00 0.00 61.69 60.08 2pny s THR 76 Cb 0.10 -2.75 0.00 0.00 1.34 0.00 0.00 72.50 71.19 2pny s THR 76 CO 0.75 0.60 0.36 0.49 -0.54 0.00 0.00 174.62 176.28 2pny n PHE 77 N 2.22 -1.60 -2.00 3.99 3.72 -1.26 -4.88 117.46 117.65 2pny n PHE 77 Ca -0.18 0.73 -0.41 0.00 -0.05 0.00 0.00 57.45 57.54 2pny n PHE 77 Cb 0.53 -3.61 -0.01 0.00 -0.94 0.00 0.00 39.48 35.45 2pny n PHE 77 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 2pny s PRO 78 N -6.67 4.27 0.00 -1.08 0.04 -1.26 -2.38 135.00 127.92 2pny s PRO 78 Ca 0.01 2.35 0.00 0.00 0.04 0.00 0.00 61.00 63.40 2pny s PRO 78 Cb -0.01 -3.03 0.00 0.00 0.04 0.00 0.00 34.50 31.50 2pny s PRO 78 CO 0.90 -0.31 0.00 0.41 0.04 0.00 0.00 177.00 178.04 2pny n GLY 79 N 0.69 1.93 3.82 0.56 0.00 -0.58 -4.87 105.19 106.74 2pny n GLY 79 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 2pny n GLY 79 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2pny s TYR 80 N -3.37 3.52 0.46 1.61 1.51 -1.00 -4.60 117.35 115.48 2pny s TYR 80 Ca 0.00 1.46 -0.21 0.00 -1.01 0.00 0.00 57.07 57.31 2pny s TYR 80 Cb 0.00 -2.70 -0.09 0.00 -0.11 0.00 0.00 41.96 39.06 2pny s TYR 80 CO 0.00 0.17 1.04 -0.06 -1.11 0.00 0.00 175.55 175.58 2pny s PHE 81 N -1.78 3.09 0.03 2.71 0.08 0.00 -0.75 117.98 121.36 2pny s PHE 81 Ca 0.51 1.60 -0.01 0.00 0.12 0.00 0.00 56.93 59.14 2pny s PHE 81 Cb -0.14 -3.08 0.01 0.00 -0.57 0.00 0.00 43.02 39.24 2pny s PHE 81 CO 0.19 -0.75 0.07 -2.37 -0.10 0.00 0.00 175.22 172.26 2pny n THR 82 N -0.68 0.00 -0.56 0.64 5.66 0.34 -0.58 114.28 119.09 2pny n THR 82 Ca 0.08 -0.08 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2pny n THR 82 Cb 0.52 0.08 0.00 0.00 -1.55 0.00 0.00 70.33 69.38 2pny n THR 82 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 2pny n ASP 83 N -1.02 -0.70 0.15 1.09 5.68 -1.26 -3.18 116.55 117.32 2pny n ASP 83 Ca -0.01 -0.56 0.03 0.00 -0.50 0.00 0.00 54.79 53.75 2pny n ASP 83 Cb 0.05 0.00 0.16 0.00 -1.14 0.00 0.00 41.12 40.19 2pny n ASP 83 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 2pny h SER 84 N -0.70 0.00 -1.22 -1.12 0.02 -1.18 -2.84 113.55 106.52 2pny h SER 84 Ca 0.00 0.00 0.20 0.00 -0.84 0.00 0.00 61.79 61.15 2pny h SER 84 Cb 0.00 0.00 -0.28 0.00 0.14 0.00 0.00 62.40 62.26 2pny h SER 84 CO 0.00 0.50 0.47 0.00 -1.14 0.00 0.00 176.83 176.66 2pny s SER 86 N 1.81 2.23 0.00 0.00 1.04 -1.26 -0.10 113.70 117.42 2pny s SER 86 Ca -0.04 -0.54 0.00 0.00 0.48 0.00 0.00 55.95 55.85 2pny s SER 86 Cb -0.03 -0.16 0.00 0.00 0.10 0.00 0.00 66.02 65.93 2pny s SER 86 CO -0.15 0.10 0.00 -0.24 0.98 0.00 0.00 173.24 173.93 2pny n SER 87 N 1.70 0.00 -3.85 7.02 2.88 -0.91 -5.01 113.62 115.45 2pny n SER 87 Ca -0.18 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.24 2pny n SER 87 Cb 0.54 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.88 2pny n SER 87 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 2pny s HIS 88 N -1.57 -0.08 0.44 0.66 3.76 -1.26 -0.73 115.29 116.51 2pny s HIS 88 Ca 0.00 0.19 -0.23 0.00 -0.15 0.00 0.00 55.06 54.87 2pny s HIS 88 Cb 0.00 0.01 -0.08 0.00 1.11 0.00 0.00 32.58 33.62 2pny s HIS 88 CO 0.00 -0.13 1.09 -1.25 -0.85 0.00 0.00 174.74 173.60 2pny s PRO 89 N -0.37 3.94 0.45 8.40 0.04 -1.26 -4.94 135.00 141.26 2pny s PRO 89 Ca -0.04 1.58 -0.03 0.00 0.04 0.00 0.00 61.00 62.55 2pny s PRO 89 Cb -0.03 -2.41 -0.02 0.00 0.04 0.00 0.00 34.50 32.08 2pny s PRO 89 CO 0.00 -0.35 0.71 -0.51 0.04 0.00 0.00 177.00 176.90 2pny s LEU 90 N -2.94 3.69 -1.24 -3.56 1.43 -1.26 -3.86 118.68 110.94 2pny s LEU 90 Ca 0.62 0.64 -0.17 0.00 -1.03 0.00 0.00 54.13 54.19 2pny s LEU 90 Cb -0.23 -3.54 0.11 0.00 0.03 0.00 0.00 46.19 42.56 2pny s LEU 90 CO 0.29 -0.59 1.58 -0.47 0.23 0.00 0.00 176.35 177.39 2pny s TYR 91 N -2.62 3.06 0.16 0.29 5.04 -0.09 -4.07 117.35 119.13 2pny s TYR 91 Ca 0.46 -1.78 -0.10 0.00 -2.44 0.00 0.00 57.07 53.22 2pny s TYR 91 Cb -0.10 -4.57 -0.00 0.00 0.35 0.00 0.00 41.96 37.64 2pny s TYR 91 CO 0.41 -1.64 0.31 0.54 -1.34 0.00 0.00 175.55 173.83 2pny s ASN 92 N 3.70 0.00 0.26 4.32 2.20 -1.26 -5.00 114.94 119.16 2pny s ASN 92 Ca 0.48 -0.79 -0.03 0.00 -0.94 0.00 0.00 52.86 51.58 2pny s ASN 92 Cb 0.01 0.45 0.42 0.00 -2.00 0.00 0.00 41.25 40.13 2pny s ASN 92 CO 0.03 -0.90 1.84 -0.65 -2.94 0.00 0.00 177.10 174.48 2pny h PRO 93 N 2.51 0.94 -0.54 3.55 0.11 -1.99 -0.97 132.00 135.61 2pny h PRO 93 Ca -0.31 -0.06 -0.11 0.00 0.11 0.00 0.00 66.00 65.63 2pny h PRO 93 Cb 1.23 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 32.11 2pny h PRO 93 CO 0.47 0.62 -0.09 0.00 -0.21 0.00 0.00 178.00 178.79 2pny h ALA 94 N 1.46 0.74 -0.00 -0.75 0.00 -1.97 -3.13 119.26 115.61 2pny h ALA 94 Ca 0.42 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2pny h ALA 94 Cb 0.30 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2pny h ALA 94 CO -0.22 0.65 -0.65 0.39 0.00 0.00 0.00 179.25 179.42 2pny n GLU 95 N -4.17 0.16 0.14 0.00 1.02 -1.03 -3.66 120.64 113.09 2pny n GLU 95 Ca 0.01 -0.11 0.12 0.00 -0.02 0.00 0.00 57.16 57.17 2pny n GLU 95 Cb 0.39 -1.50 0.26 0.00 -0.02 0.00 0.00 31.44 30.58 2pny n GLU 95 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 2pny h LEU 96 N 0.27 0.00 -9.48 -4.62 3.38 -1.17 -3.36 115.31 100.34 2pny h LEU 96 Ca 0.00 -0.03 -0.53 0.00 0.09 0.00 0.00 57.88 57.41 2pny h LEU 96 Cb 0.52 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.30 2pny h LEU 96 CO 0.00 0.02 1.09 -0.70 0.09 0.00 0.00 178.44 178.93 2pny s GLU 97 N -3.17 4.16 0.02 1.13 2.12 -1.19 -4.87 118.70 116.89 2pny s GLU 97 Ca 0.08 2.51 0.22 0.00 0.36 0.00 0.00 54.97 58.14 2pny s GLU 97 Cb 0.10 -3.65 -0.27 0.00 0.26 0.00 0.00 34.13 30.58 2pny s GLU 97 CO 0.66 -0.82 0.60 0.39 -0.54 0.00 0.00 175.26 175.55 2pny n GLU 98 N 5.82 0.64 -1.69 4.30 1.02 -1.26 -0.69 120.64 128.78 2pny n GLU 98 Ca 0.17 -0.13 -0.52 0.00 -0.02 0.00 0.00 57.16 56.66 2pny n GLU 98 Cb 0.39 -1.58 -0.06 0.00 -0.02 0.00 0.00 31.44 30.17 2pny n GLU 98 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2pny n LYS 99 N -2.33 1.73 -2.21 3.49 4.81 -1.26 -1.02 118.16 121.37 2pny n LYS 99 Ca -0.03 0.63 -0.14 0.00 -0.87 0.00 0.00 58.31 57.90 2pny n LYS 99 Cb 0.56 -2.42 -0.02 0.00 0.02 0.00 0.00 35.03 33.17 2pny n LYS 99 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2pny n ASP 100 N 6.28 -4.15 -2.79 3.14 8.00 -1.26 -1.27 116.55 124.49 2pny n ASP 100 Ca 0.25 0.20 -0.20 0.00 0.71 0.00 0.00 54.79 55.74 2pny n ASP 100 Cb 0.23 -3.58 0.01 0.00 -0.02 0.00 0.00 41.12 37.76 2pny n ASP 100 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2pny n ALA 101 N -1.59 -0.85 0.07 2.24 0.00 -0.19 -4.87 120.51 115.32 2pny n ALA 101 Ca -0.16 0.19 -0.02 0.00 0.00 0.00 0.00 53.44 53.45 2pny n ALA 101 Cb 0.59 -2.83 0.23 0.00 0.00 0.00 0.00 19.45 17.44 2pny n ALA 101 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 2pny h ILE 102 N -0.69 1.28 -0.31 0.00 6.09 -1.29 -1.32 117.51 121.26 2pny h ILE 102 Ca -0.47 -1.36 -0.01 0.00 -1.37 0.00 0.00 64.86 61.66 2pny h ILE 102 Cb 1.33 1.52 -0.01 0.00 0.47 0.00 0.00 36.82 40.13 2pny h ILE 102 CO 0.53 0.42 0.15 1.23 -3.07 0.00 0.00 178.15 177.40 2pny h GLY 103 N 1.09 0.48 1.03 8.18 0.00 -1.08 0.18 103.07 112.94 2pny h GLY 103 Ca 0.04 -0.24 -0.05 0.00 0.00 0.00 0.00 47.33 47.08 2pny h GLY 103 CO 0.06 0.22 0.21 -2.08 0.00 0.00 0.00 176.54 174.95 2pny h VAL 104 N 0.36 1.25 -0.14 4.60 2.07 -1.65 -1.71 116.25 121.03 2pny h VAL 104 Ca 0.11 -0.86 -0.10 0.00 0.82 0.00 0.00 66.70 66.66 2pny h VAL 104 Cb 0.12 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 2pny h VAL 104 CO -0.01 0.33 -0.37 0.03 0.02 0.00 0.00 177.57 177.57 2pny h ARG 105 N 0.97 0.30 -0.54 1.57 3.08 -0.81 0.21 114.38 119.16 2pny h ARG 105 Ca 0.22 -0.13 -0.09 0.00 0.07 0.00 0.00 59.98 60.04 2pny h ARG 105 Cb 0.29 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 2pny h ARG 105 CO -0.01 0.63 -0.03 0.00 -1.07 0.00 0.00 179.97 179.50 2pny h ARG 106 N 0.26 0.97 -0.76 0.04 3.08 -0.48 -1.29 114.38 116.20 2pny h ARG 106 Ca 0.03 -0.32 -0.04 0.00 0.07 0.00 0.00 59.98 59.72 2pny h ARG 106 Cb 0.77 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.71 2pny h ARG 106 CO 0.06 0.99 0.31 0.00 -1.07 0.00 0.00 179.97 180.26 2pny h ALA 107 N 0.94 0.98 -0.39 0.04 0.00 -0.90 -1.36 119.26 118.58 2pny h ALA 107 Ca 0.15 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 2pny h ALA 107 Cb 0.57 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2pny h ALA 107 CO 0.03 0.60 0.18 0.00 0.00 0.00 0.00 179.25 180.06 2pny h ALA 108 N 1.16 0.50 -0.78 0.00 0.00 -0.75 -0.44 119.26 118.94 2pny h ALA 108 Ca 0.25 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.09 2pny h ALA 108 Cb 0.20 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 2pny h ALA 108 CO -0.02 0.07 0.49 0.37 0.00 0.00 0.00 179.25 180.16 2pny h GLN 109 N 0.49 0.92 -0.40 0.00 4.15 -1.00 0.10 115.11 119.37 2pny h GLN 109 Ca 0.13 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.50 2pny h GLN 109 Cb 0.13 -0.21 -0.02 0.00 0.21 0.00 0.00 27.48 27.59 2pny h GLN 109 CO -0.02 0.61 0.26 -0.09 -1.93 0.00 0.00 178.83 177.66 2pny h ARG 110 N 0.95 0.53 0.00 1.69 2.43 -0.92 -2.33 114.38 116.73 2pny h ARG 110 Ca 0.32 -0.04 -0.21 0.00 -0.81 0.00 0.00 59.98 59.24 2pny h ARG 110 Cb 0.05 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.45 2pny h ARG 110 CO -0.13 0.37 -1.00 0.00 -1.51 0.00 0.00 179.97 177.71 2pny h ARG 111 N 0.54 0.00 -0.78 0.20 2.47 -0.75 -0.13 114.38 115.93 2pny h ARG 111 Ca 0.15 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.84 2pny h ARG 111 Cb -0.04 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.25 2pny h ARG 111 CO -0.03 0.99 0.39 -0.07 0.56 0.00 0.00 179.97 181.81 2pny h LEU 112 N 0.00 0.99 -0.22 3.04 3.38 -0.77 0.58 115.31 122.31 2pny h LEU 112 Ca -0.01 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 57.81 2pny h LEU 112 Cb 1.77 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 42.26 2pny h LEU 112 CO 0.13 0.83 -0.04 -0.61 0.09 0.00 0.00 178.44 178.84 2pny h GLN 113 N 1.10 0.41 -0.21 1.13 4.15 -1.25 -2.18 115.11 118.26 2pny h GLN 113 Ca 0.27 -0.15 -0.09 0.00 0.77 0.00 0.00 58.65 59.44 2pny h GLN 113 Cb 0.08 -0.03 -0.00 0.00 0.21 0.00 0.00 27.48 27.74 2pny h GLN 113 CO -0.04 0.64 -0.24 0.00 -1.93 0.00 0.00 178.83 177.27 2pny h ALA 114 N 0.76 0.32 0.04 3.38 0.00 -0.78 -0.87 119.26 122.11 2pny h ALA 114 Ca 0.06 -0.37 -0.09 0.00 0.00 0.00 0.00 54.91 54.50 2pny h ALA 114 Cb 0.48 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2pny h ALA 114 CO 0.02 0.28 -0.45 0.93 0.00 0.00 0.00 179.25 180.03 2pny h GLU 115 N 0.22 0.09 -0.00 0.00 5.08 -1.01 -3.39 114.58 115.57 2pny h GLU 115 Ca 0.03 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 2pny h GLU 115 Cb 0.80 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.10 2pny h GLU 115 CO 0.06 1.08 -0.65 1.28 -1.00 0.00 0.00 179.01 179.77 2pny n LEU 116 N -4.42 1.17 -0.82 1.33 4.77 -0.85 -0.79 117.00 117.40 2pny n LEU 116 Ca -0.15 -0.60 -0.09 0.00 -0.03 0.00 0.00 56.01 55.14 2pny n LEU 116 Cb 0.62 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.68 2pny n LEU 116 CO 0.36 0.25 -0.10 0.61 -1.33 0.00 0.00 177.39 177.19 2pny n GLY 117 N 1.35 0.76 3.63 -0.72 0.00 -0.33 -0.07 105.19 109.81 2pny n GLY 117 Ca 0.05 -0.58 -0.43 0.00 0.00 0.00 0.00 46.02 45.06 2pny n GLY 117 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pny s ILE 118 N -2.38 4.53 0.67 -0.61 1.01 -1.08 -3.98 121.20 119.37 2pny s ILE 118 Ca 0.00 1.65 -0.15 0.00 0.00 0.00 0.00 60.65 62.15 2pny s ILE 118 Cb 0.00 -4.39 0.01 0.00 0.01 0.00 0.00 42.46 38.09 2pny s ILE 118 CO 0.00 -0.47 1.15 -2.16 0.00 0.00 0.00 174.94 173.46 2pny s PRO 119 N 3.59 2.61 0.55 2.79 0.04 -1.26 -3.53 135.00 139.79 2pny s PRO 119 Ca 0.44 1.55 0.24 0.00 0.04 0.00 0.00 61.00 63.26 2pny s PRO 119 Cb -0.12 -1.91 1.50 0.00 0.04 0.00 0.00 34.50 34.00 2pny s PRO 119 CO 0.15 -1.43 2.12 0.78 0.04 0.00 0.00 177.00 178.67 2pny h GLY 120 N 0.02 0.00 2.00 0.56 0.00 -1.91 -1.14 103.07 102.59 2pny h GLY 120 Ca -0.47 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 46.84 2pny h GLY 120 CO 0.53 0.00 -0.08 0.83 0.00 0.00 0.00 176.54 177.82 2pny h GLU 121 N 0.00 0.00 0.07 4.80 3.07 -2.02 -3.10 114.58 117.39 2pny h GLU 121 Ca 0.08 0.00 -0.37 0.00 -0.50 0.00 0.00 59.36 58.56 2pny h GLU 121 Cb 0.35 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.22 2pny h GLU 121 CO -0.00 0.08 -2.19 1.04 -1.40 0.00 0.00 179.01 176.53 2pny n GLN 122 N -3.49 0.71 -3.81 2.33 6.02 -0.45 -4.86 117.38 113.82 2pny n GLN 122 Ca -0.02 0.21 -0.26 0.00 -0.01 0.00 0.00 57.00 56.92 2pny n GLN 122 Cb 0.21 -1.63 -0.17 0.00 1.02 0.00 0.00 30.24 29.67 2pny n GLN 122 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2pny s ILE 123 N -2.54 0.70 0.46 5.09 1.01 -1.08 -5.04 121.20 119.79 2pny s ILE 123 Ca -0.26 -0.29 0.07 0.00 0.00 0.00 0.00 60.65 60.16 2pny s ILE 123 Cb 0.08 -0.92 -0.00 0.00 0.01 0.00 0.00 42.46 41.62 2pny s ILE 123 CO 0.71 0.13 0.38 -0.94 0.00 0.00 0.00 174.94 175.22 2pny s SER 124 N 1.82 4.85 0.57 3.58 1.04 -1.23 -4.37 113.70 119.95 2pny s SER 124 Ca 0.02 -0.94 0.26 0.00 0.48 0.00 0.00 55.95 55.77 2pny s SER 124 Cb -0.14 -0.22 1.56 0.00 0.10 0.00 0.00 66.02 67.32 2pny s SER 124 CO -0.07 -0.81 2.11 -0.65 0.98 0.00 0.00 173.24 174.80 2pny h PRO 125 N 0.95 0.00 0.00 4.02 0.11 -1.93 -0.83 132.00 134.32 2pny h PRO 125 Ca -0.40 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.69 2pny h PRO 125 Cb 1.28 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.38 2pny h PRO 125 CO 0.58 0.00 -0.11 1.49 -0.21 0.00 0.00 178.00 179.75 2pny h GLU 126 N 0.00 0.00 -0.00 1.05 4.57 -1.95 -1.56 114.58 116.69 2pny h GLU 126 Ca 0.09 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.27 2pny h GLU 126 Cb 0.44 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.03 2pny h GLU 126 CO -0.00 0.11 -0.18 -0.25 -1.18 0.00 0.00 179.01 177.51 2pny n ASP 127 N -3.78 0.25 -4.45 1.04 8.00 -0.32 -4.77 116.55 112.52 2pny n ASP 127 Ca -0.02 0.02 -0.39 0.00 0.71 0.00 0.00 54.79 55.11 2pny n ASP 127 Cb 0.21 -0.17 -0.11 0.00 -0.02 0.00 0.00 41.12 41.03 2pny n ASP 127 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2pny s ILE 128 N -2.88 4.77 -0.24 0.53 1.01 -0.59 -4.55 121.20 119.26 2pny s ILE 128 Ca 0.17 -0.45 -0.14 0.00 0.00 0.00 0.00 60.65 60.22 2pny s ILE 128 Cb 0.19 -3.48 -0.04 0.00 0.01 0.00 0.00 42.46 39.14 2pny s ILE 128 CO 0.57 -0.01 0.32 -0.69 0.00 0.00 0.00 174.94 175.13 2pny s VAL 129 N 1.63 5.23 0.06 2.92 1.01 0.71 -4.89 120.40 127.07 2pny s VAL 129 Ca 0.05 0.51 -0.31 0.00 0.00 0.00 0.00 61.98 62.23 2pny s VAL 129 Cb -0.18 -3.65 -0.07 0.00 0.00 0.00 0.00 36.38 32.48 2pny s VAL 129 CO 0.07 0.24 1.49 0.12 0.00 0.00 0.00 175.10 177.02 2pny s PHE 130 N 1.57 2.80 -0.12 5.22 5.36 -1.26 -0.97 117.98 130.58 2pny s PHE 130 Ca 0.14 0.67 -0.10 0.00 -0.96 0.00 0.00 56.93 56.68 2pny s PHE 130 Cb -0.15 -3.79 -0.06 0.00 -0.34 0.00 0.00 43.02 38.69 2pny s PHE 130 CO 0.08 -2.97 -0.22 -1.33 -1.46 0.00 0.00 175.22 169.32 2pny n MET 131 N 5.06 0.35 -3.05 10.12 2.81 -0.28 -4.81 117.12 127.32 2pny n MET 131 Ca 0.14 0.15 -0.02 0.00 -1.81 0.00 0.00 57.70 56.15 2pny n MET 131 Cb 0.42 -1.10 0.01 0.00 -0.71 0.00 0.00 33.22 31.85 2pny n MET 131 CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11 2pny n THR 132 N -3.94 0.00 -4.52 2.03 5.66 -1.17 -0.42 114.28 111.93 2pny n THR 132 Ca -0.22 -0.41 -0.21 0.00 -3.05 0.00 0.00 64.05 60.17 2pny n THR 132 Cb 0.53 0.53 -0.15 0.00 -1.55 0.00 0.00 70.33 69.70 2pny n THR 132 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 2pny s ILE 133 N -2.24 0.98 -0.01 1.09 1.01 -1.25 -0.35 121.20 120.42 2pny s ILE 133 Ca 0.15 -0.59 0.04 0.00 0.00 0.00 0.00 60.65 60.25 2pny s ILE 133 Cb -0.02 -0.83 -0.01 0.00 0.01 0.00 0.00 42.46 41.61 2pny s ILE 133 CO 0.04 0.23 -0.13 -0.72 0.00 0.00 0.00 174.94 174.36 2pny s TYR 134 N -0.37 1.20 -0.27 3.97 -0.85 -0.05 -0.58 117.35 120.40 2pny s TYR 134 Ca 0.04 -0.23 -0.10 0.00 -0.52 0.00 0.00 57.07 56.26 2pny s TYR 134 Cb -0.05 -0.77 -0.05 0.00 0.38 0.00 0.00 41.96 41.47 2pny s TYR 134 CO -0.00 -0.02 0.16 -1.58 -1.52 0.00 0.00 175.55 172.59 2pny s HIS 135 N -0.33 3.19 0.10 -3.49 5.65 0.16 -0.19 115.29 120.38 2pny s HIS 135 Ca 0.05 -0.00 0.00 0.00 0.25 0.00 0.00 55.06 55.36 2pny s HIS 135 Cb -0.05 -2.35 -0.04 0.00 -1.18 0.00 0.00 32.58 28.96 2pny s HIS 135 CO -0.00 -0.20 -0.02 -3.38 -0.65 0.00 0.00 174.74 170.48 2pny s HIS 136 N 1.71 0.80 -0.00 3.88 -0.00 -0.81 -1.50 115.29 119.37 2pny s HIS 136 Ca 0.07 -1.05 0.01 0.00 -0.00 0.00 0.00 55.06 54.09 2pny s HIS 136 Cb -0.16 -0.49 0.00 0.00 -0.00 0.00 0.00 32.58 31.93 2pny s HIS 136 CO 0.09 -0.31 -0.02 0.21 -0.00 0.00 0.00 174.74 174.71 2pny s LYS 137 N -3.92 0.23 0.08 -0.38 2.20 -1.26 -1.84 119.74 114.85 2pny s LYS 137 Ca 0.14 -0.08 -0.09 0.00 -0.36 0.00 0.00 55.97 55.58 2pny s LYS 137 Cb 0.07 -0.24 -0.00 0.00 -1.51 0.00 0.00 37.83 36.15 2pny s LYS 137 CO -0.04 0.04 0.18 0.00 -0.36 0.00 0.00 175.35 175.17 2pny s ALA 138 N 0.03 -0.22 -0.12 3.13 0.00 -0.56 -4.97 121.76 119.04 2pny s ALA 138 Ca 0.00 -0.58 -0.01 0.00 0.00 0.00 0.00 51.96 51.37 2pny s ALA 138 Cb -0.02 0.45 -0.02 0.00 0.00 0.00 0.00 23.12 23.52 2pny s ALA 138 CO -0.00 -0.48 -0.09 0.15 0.00 0.00 0.00 175.76 175.34 2pny s LYS 139 N -3.66 3.29 -0.12 0.00 1.02 -1.26 -0.41 119.74 118.60 2pny s LYS 139 Ca 0.03 -0.60 -0.27 0.00 0.02 0.00 0.00 55.97 55.16 2pny s LYS 139 Cb 0.04 -2.70 -0.27 0.00 -0.52 0.00 0.00 37.83 34.37 2pny s LYS 139 CO -0.10 0.35 0.79 1.03 -0.92 0.00 0.00 175.35 176.50 2pny h SER 140 N 6.29 0.14 -0.87 2.83 0.87 -1.17 -3.48 113.55 118.16 2pny h SER 140 Ca -0.34 -0.97 0.00 0.00 -1.23 0.00 0.00 61.79 59.25 2pny h SER 140 Cb 1.19 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.11 2pny h SER 140 CO 0.57 1.13 0.00 -0.90 -0.53 0.00 0.00 176.83 177.10 2pny n ASP 141 N -4.46 0.00 0.19 6.23 5.68 -0.87 -4.82 116.55 118.49 2pny n ASP 141 Ca -0.12 -0.55 0.07 0.00 -0.50 0.00 0.00 54.79 53.69 2pny n ASP 141 Cb 0.59 0.00 0.57 0.00 -1.14 0.00 0.00 41.12 41.13 2pny n ASP 141 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 2pny h ARG 142 N 0.00 0.14 0.02 0.11 2.43 -2.02 -3.29 114.38 111.78 2pny h ARG 142 Ca 0.00 -0.01 -0.38 0.00 -0.81 0.00 0.00 59.98 58.78 2pny h ARG 142 Cb 0.00 -0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 29.46 2pny h ARG 142 CO 0.00 0.12 -2.37 -0.89 -1.51 0.00 0.00 179.97 175.32 2pny n ILE 143 N -4.49 1.54 -4.27 1.20 2.08 -1.26 -4.78 119.36 109.38 2pny n ILE 143 Ca -0.01 -0.61 -0.28 0.00 0.56 0.00 0.00 62.75 62.40 2pny n ILE 143 Cb 0.11 -1.41 -0.10 0.00 -0.75 0.00 0.00 39.64 37.49 2pny n ILE 143 CO 0.00 0.00 0.00 0.26 0.56 0.00 0.00 176.55 177.37 2pny s TRP 144 N -2.53 2.65 0.00 1.39 0.52 -1.24 -0.24 118.94 119.49 2pny s TRP 144 Ca -0.30 -0.21 0.00 0.00 0.02 0.00 0.00 56.10 55.61 2pny s TRP 144 Cb 0.08 -1.35 0.00 0.00 -1.15 0.00 0.00 33.47 31.05 2pny s TRP 144 CO 0.65 0.45 0.00 0.41 0.02 0.00 0.00 176.95 178.48 2pny n GLY 145 N 0.44 1.22 3.12 0.98 0.00 0.11 -0.57 105.19 110.48 2pny n GLY 145 Ca -0.13 -0.81 -0.17 0.00 0.00 0.00 0.00 46.02 44.91 2pny n GLY 145 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2pny s GLU 146 N -0.98 0.76 -0.28 1.61 0.41 0.45 -4.54 118.70 116.13 2pny s GLU 146 Ca 0.00 -0.79 -0.01 0.00 -0.41 0.00 0.00 54.97 53.76 2pny s GLU 146 Cb 0.00 -0.71 0.17 0.00 -1.78 0.00 0.00 34.13 31.81 2pny s GLU 146 CO 0.00 0.16 0.52 -1.58 -0.49 0.00 0.00 175.26 173.88 2pny s HIS 147 N -1.07 -1.35 0.01 1.61 5.65 -1.26 -1.49 115.29 117.38 2pny s HIS 147 Ca -0.02 1.35 -0.02 0.00 0.25 0.00 0.00 55.06 56.62 2pny s HIS 147 Cb -0.09 0.35 -0.01 0.00 -1.18 0.00 0.00 32.58 31.66 2pny s HIS 147 CO 0.01 -0.84 0.03 -1.21 -0.65 0.00 0.00 174.74 172.08 2pny s GLU 148 N 2.75 0.28 -0.62 2.88 2.02 -0.77 -2.81 118.70 122.43 2pny s GLU 148 Ca 0.17 -0.37 -0.21 0.00 0.02 0.00 0.00 54.97 54.58 2pny s GLU 148 Cb -0.15 0.11 0.08 0.00 0.10 0.00 0.00 34.13 34.27 2pny s GLU 148 CO -0.20 -0.05 0.85 0.42 0.02 0.00 0.00 175.26 176.29 2pny s ILE 149 N -1.02 4.54 -0.27 -1.63 -1.09 -0.51 -1.93 121.20 119.30 2pny s ILE 149 Ca -0.11 -0.56 -0.06 0.00 -2.23 0.00 0.00 60.65 57.68 2pny s ILE 149 Cb -0.07 -4.58 -0.01 0.00 -1.58 0.00 0.00 42.46 36.23 2pny s ILE 149 CO -0.00 -1.27 0.05 0.00 -1.23 0.00 0.00 174.94 172.49 2pny s TYR 151 N 1.53 3.31 -0.27 0.00 4.12 0.29 -0.87 117.35 125.46 2pny s TYR 151 Ca 0.04 1.29 -0.14 0.00 0.02 0.00 0.00 57.07 58.28 2pny s TYR 151 Cb -0.16 -3.39 -0.04 0.00 -1.52 0.00 0.00 41.96 36.85 2pny s TYR 151 CO 0.02 -1.18 0.34 -1.17 0.02 0.00 0.00 175.55 173.58 2pny s LEU 152 N 1.75 4.04 0.11 -1.29 2.96 0.53 -0.62 118.68 126.15 2pny s LEU 152 Ca 0.56 0.25 0.10 0.00 -0.22 0.00 0.00 54.13 54.82 2pny s LEU 152 Cb -0.26 -2.37 -0.04 0.00 0.50 0.00 0.00 46.19 44.02 2pny s LEU 152 CO 0.25 -0.15 -0.27 -0.76 -1.32 0.00 0.00 176.35 174.10 2pny s LEU 153 N 1.97 2.28 -0.02 -0.68 1.43 0.25 -1.13 118.68 122.77 2pny s LEU 153 Ca 0.14 -0.70 0.04 0.00 -1.03 0.00 0.00 54.13 52.57 2pny s LEU 153 Cb -0.16 -1.22 -0.01 0.00 0.03 0.00 0.00 46.19 44.83 2pny s LEU 153 CO 0.10 0.20 -0.13 -0.22 0.23 0.00 0.00 176.35 176.53 2pny s LEU 154 N -1.83 1.96 -0.02 1.79 0.20 -0.14 -0.25 118.68 120.39 2pny s LEU 154 Ca 0.13 -0.24 0.03 0.00 0.69 0.00 0.00 54.13 54.73 2pny s LEU 154 Cb -0.10 -0.69 0.00 0.00 -0.43 0.00 0.00 46.19 44.97 2pny s LEU 154 CO 0.05 0.14 -0.09 -0.69 -0.29 0.00 0.00 176.35 175.47 2pny s VAL 155 N -0.16 0.77 -0.27 1.68 1.01 -0.52 -0.21 120.40 122.70 2pny s VAL 155 Ca 0.02 -0.37 0.02 0.00 0.00 0.00 0.00 61.98 61.66 2pny s VAL 155 Cb -0.07 -0.67 0.07 0.00 0.00 0.00 0.00 36.38 35.71 2pny s VAL 155 CO 0.00 0.24 -0.05 -0.60 0.00 0.00 0.00 175.10 174.69 2pny s ARG 156 N 0.10 1.78 -0.21 2.72 3.52 -1.26 -0.66 118.95 124.93 2pny s ARG 156 Ca -0.01 -1.29 -0.28 0.00 -0.13 0.00 0.00 55.73 54.02 2pny s ARG 156 Cb -0.07 -2.78 0.12 0.00 -1.56 0.00 0.00 34.95 30.66 2pny s ARG 156 CO 0.00 -0.67 1.01 0.21 -0.81 0.00 0.00 175.30 175.04 2pny s LYS 157 N 1.21 0.56 -0.10 5.12 2.20 -0.19 -4.98 119.74 123.55 2pny s LYS 157 Ca -0.03 0.35 -0.25 0.00 -0.36 0.00 0.00 55.97 55.67 2pny s LYS 157 Cb -0.19 0.27 -0.03 0.00 -1.51 0.00 0.00 37.83 36.37 2pny s LYS 157 CO -0.07 -0.13 0.81 -0.80 -0.36 0.00 0.00 175.35 174.80 2pny s ASN 158 N -0.50 7.04 0.16 1.43 0.01 -1.26 -4.21 114.94 117.61 2pny s ASN 158 Ca 0.00 1.27 0.02 0.00 -0.71 0.00 0.00 52.86 53.44 2pny s ASN 158 Cb -0.03 -2.46 -0.04 0.00 0.41 0.00 0.00 41.25 39.13 2pny s ASN 158 CO -0.02 -0.27 -0.01 0.68 -1.51 0.00 0.00 177.10 175.98 2pny s VAL 159 N 1.43 0.66 0.12 1.60 -7.23 -1.26 -5.07 120.40 110.65 2pny s VAL 159 Ca 0.41 -1.97 0.03 0.00 -1.81 0.00 0.00 61.98 58.63 2pny s VAL 159 Cb -0.18 -2.04 -0.04 0.00 0.56 0.00 0.00 36.38 34.69 2pny s VAL 159 CO 0.17 -0.55 0.19 0.42 -0.31 0.00 0.00 175.10 175.03 2pny s THR 160 N -3.67 4.95 0.03 5.32 -4.23 -1.26 -5.13 115.64 111.65 2pny s THR 160 Ca 0.22 -0.76 0.07 0.00 -1.18 0.00 0.00 61.69 60.04 2pny s THR 160 Cb 0.06 -3.49 -0.02 0.00 1.34 0.00 0.00 72.50 70.39 2pny s THR 160 CO 0.02 -0.01 -0.22 -0.76 -0.54 0.00 0.00 174.62 173.11 2pny s LEU 161 N -2.90 2.13 -0.43 4.79 1.43 -1.26 -4.14 118.68 118.30 2pny s LEU 161 Ca 0.33 -0.49 0.07 0.00 -1.03 0.00 0.00 54.13 53.00 2pny s LEU 161 Cb -0.11 -1.05 0.24 0.00 0.03 0.00 0.00 46.19 45.29 2pny s LEU 161 CO 0.26 0.20 0.65 -3.20 0.23 0.00 0.00 176.35 174.49 2pny n ASN 162 N 2.04 -1.09 -4.78 2.29 5.15 0.90 -4.98 115.26 114.79 2pny n ASN 162 Ca -0.17 -2.90 -0.35 0.00 -0.60 0.00 0.00 54.58 50.57 2pny n ASN 162 Cb 0.53 0.33 -0.01 0.00 -0.53 0.00 0.00 39.78 40.10 2pny n ASN 162 CO 0.00 0.00 0.00 -2.84 1.40 0.00 0.00 177.26 175.82 2pny s PRO 163 N -0.37 3.51 -0.32 1.20 0.02 -1.13 -3.34 135.00 134.57 2pny s PRO 163 Ca 0.34 1.56 -0.26 0.00 0.02 0.00 0.00 61.00 62.66 2pny s PRO 163 Cb 0.18 -2.06 0.01 0.00 0.02 0.00 0.00 34.50 32.64 2pny s PRO 163 CO -0.16 -0.71 0.90 0.34 -0.33 0.00 0.00 177.00 177.03 2pny s ASP 164 N -1.79 6.76 0.26 2.53 -1.08 0.03 -4.93 116.67 118.45 2pny s ASP 164 Ca 0.71 0.78 0.22 0.00 -0.52 0.00 0.00 52.55 53.74 2pny s ASP 164 Cb -0.22 -2.46 1.00 0.00 -1.46 0.00 0.00 42.92 39.78 2pny s ASP 164 CO 0.26 -0.73 1.66 -0.81 0.52 0.00 0.00 175.17 176.07 2pny n PRO 165 N 6.48 0.16 0.13 4.34 -0.04 -1.26 -0.64 135.00 144.18 2pny n PRO 165 Ca 0.07 0.50 0.03 0.00 -0.04 0.00 0.00 63.50 64.06 2pny n PRO 165 Cb 0.48 -1.88 0.43 0.00 -0.04 0.00 0.00 33.50 32.49 2pny n PRO 165 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2pny h SER 166 N 0.00 0.20 0.03 3.54 0.87 -1.97 -3.30 113.55 112.91 2pny h SER 166 Ca 0.00 -0.03 -0.39 0.00 -1.23 0.00 0.00 61.79 60.14 2pny h SER 166 Cb 0.22 -0.05 -0.06 0.00 -0.44 0.00 0.00 62.40 62.07 2pny h SER 166 CO 0.00 0.31 -2.36 -0.62 -0.53 0.00 0.00 176.83 173.63 2pny n GLU 167 N -4.33 0.67 -4.30 2.24 -0.58 0.14 -4.50 120.64 109.98 2pny n GLU 167 Ca -0.01 0.18 -0.24 0.00 -0.42 0.00 0.00 57.16 56.68 2pny n GLU 167 Cb 0.23 -1.56 -0.17 0.00 -0.57 0.00 0.00 31.44 29.37 2pny n GLU 167 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 2pny s THR 168 N -2.53 0.93 -0.07 2.62 2.01 0.18 -1.14 115.64 117.64 2pny s THR 168 Ca -0.32 -0.32 -0.04 0.00 0.31 0.00 0.00 61.69 61.32 2pny s THR 168 Cb 0.09 -0.90 -0.27 0.00 0.01 0.00 0.00 72.50 71.43 2pny s THR 168 CO 0.63 0.32 0.55 0.50 -0.69 0.00 0.00 174.62 175.93 2pny h LYS 169 N 7.33 0.24 -2.67 4.92 3.64 -1.12 -3.37 116.57 125.55 2pny h LYS 169 Ca -0.32 -0.41 0.12 0.00 -1.27 0.00 0.00 60.65 58.76 2pny h LYS 169 Cb 1.16 0.15 -0.06 0.00 -0.41 0.00 0.00 32.23 33.08 2pny h LYS 169 CO 0.45 1.10 0.38 -1.54 -2.27 0.00 0.00 179.45 177.57 2pny s SER 170 N -6.92 -0.17 -0.03 4.20 1.04 -1.19 -5.01 113.70 105.63 2pny s SER 170 Ca -0.16 -0.59 -0.02 0.00 0.48 0.00 0.00 55.95 55.66 2pny s SER 170 Cb 0.07 0.62 0.01 0.00 0.10 0.00 0.00 66.02 66.82 2pny s SER 170 CO 0.81 -1.16 0.06 -0.63 0.98 0.00 0.00 173.24 173.29 2pny s ILE 171 N -3.30 -0.02 -0.02 -1.02 1.01 -1.26 -0.66 121.20 115.93 2pny s ILE 171 Ca 0.13 0.06 0.08 0.00 0.00 0.00 0.00 60.65 60.92 2pny s ILE 171 Cb -0.04 -0.10 -0.02 0.00 0.01 0.00 0.00 42.46 42.31 2pny s ILE 171 CO 0.05 0.03 -0.25 -0.76 0.00 0.00 0.00 174.94 174.01 2pny s LEU 172 N 0.36 2.11 -0.36 2.97 1.43 -0.32 -4.99 118.68 119.88 2pny s LEU 172 Ca -0.03 -0.45 -0.09 0.00 -1.03 0.00 0.00 54.13 52.53 2pny s LEU 172 Cb -0.04 -1.36 0.03 0.00 0.03 0.00 0.00 46.19 44.85 2pny s LEU 172 CO -0.01 0.32 0.17 -0.31 0.23 0.00 0.00 176.35 176.74 2pny s TYR 173 N -0.59 3.24 -0.11 0.29 2.02 -1.26 -0.03 117.35 120.91 2pny s TYR 173 Ca 0.09 -1.09 -0.03 0.00 -0.37 0.00 0.00 57.07 55.67 2pny s TYR 173 Cb -0.10 -2.38 -0.03 0.00 -0.40 0.00 0.00 41.96 39.04 2pny s TYR 173 CO -0.01 -0.66 0.02 -0.51 -1.57 0.00 0.00 175.55 172.82 2pny s LEU 174 N 1.51 3.68 1.01 -1.29 1.43 0.02 -4.82 118.68 120.22 2pny s LEU 174 Ca 0.01 0.16 -0.12 0.00 -1.03 0.00 0.00 54.13 53.15 2pny s LEU 174 Cb -0.19 -1.86 0.20 0.00 0.03 0.00 0.00 46.19 44.36 2pny s LEU 174 CO 0.05 0.34 1.08 -0.94 0.23 0.00 0.00 176.35 177.11 2pny s SER 175 N -0.66 2.38 0.23 2.29 1.04 -1.26 -0.24 113.70 117.48 2pny s SER 175 Ca 0.11 1.48 -0.08 0.00 0.48 0.00 0.00 55.95 57.94 2pny s SER 175 Cb -0.12 -2.16 0.21 0.00 0.10 0.00 0.00 66.02 64.05 2pny s SER 175 CO 0.02 -3.33 1.89 -0.61 0.98 0.00 0.00 173.24 172.20 2pny h GLN 176 N -2.02 1.17 -0.10 4.02 4.15 -1.97 -0.27 115.11 120.09 2pny h GLN 176 Ca -0.54 -0.08 -0.10 0.00 0.77 0.00 0.00 58.65 58.69 2pny h GLN 176 Cb 1.31 -0.26 -0.01 0.00 0.21 0.00 0.00 27.48 28.73 2pny h GLN 176 CO 0.53 0.80 -0.40 0.93 -1.93 0.00 0.00 178.83 178.75 2pny h GLU 177 N 1.20 0.21 -0.16 1.69 5.08 -1.98 -1.32 114.58 119.30 2pny h GLU 177 Ca 0.32 -0.10 -0.16 0.00 -1.00 0.00 0.00 59.36 58.42 2pny h GLU 177 Cb -0.11 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 2pny h GLU 177 CO -0.07 0.59 -0.56 0.93 -1.00 0.00 0.00 179.01 178.90 2pny h GLU 178 N 0.18 0.50 -0.61 2.33 5.08 -1.76 -1.72 114.58 118.58 2pny h GLU 178 Ca 0.02 -0.32 -0.05 0.00 -1.00 0.00 0.00 59.36 58.01 2pny h GLU 178 Cb 0.79 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.06 2pny h GLU 178 CO 0.06 0.92 0.18 1.25 -1.00 0.00 0.00 179.01 180.43 2pny h LEU 179 N 0.38 0.89 -0.73 1.33 5.85 -0.73 0.17 115.31 122.48 2pny h LEU 179 Ca 0.00 -0.21 -0.00 0.00 0.84 0.00 0.00 57.88 58.51 2pny h LEU 179 Cb 1.10 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.86 2pny h LEU 179 CO 0.10 0.87 0.45 -0.25 -0.34 0.00 0.00 178.44 179.27 2pny h TRP 180 N 0.87 0.95 -0.44 1.25 7.01 -1.16 -1.78 115.95 122.65 2pny h TRP 180 Ca 0.20 0.00 -0.03 0.00 2.11 0.00 0.00 58.89 61.17 2pny h TRP 180 Cb 0.30 -0.31 -0.02 0.00 -2.10 0.00 0.00 29.16 27.03 2pny h TRP 180 CO 0.02 0.63 0.16 1.49 -2.79 0.00 0.00 178.44 177.95 2pny h GLU 181 N 0.99 0.67 -0.79 2.65 4.81 -0.91 -0.77 114.58 121.24 2pny h GLU 181 Ca 0.26 -0.13 0.13 0.00 -0.13 0.00 0.00 59.36 59.49 2pny h GLU 181 Cb -0.05 -0.10 -0.09 0.00 0.63 0.00 0.00 28.75 29.14 2pny h GLU 181 CO -0.05 0.63 0.37 1.25 -0.73 0.00 0.00 179.01 180.48 2pny h LEU 182 N 0.57 0.42 -0.46 1.64 5.85 -0.14 -0.40 115.31 122.80 2pny h LEU 182 Ca 0.14 0.09 -0.17 0.00 0.84 0.00 0.00 57.88 58.78 2pny h LEU 182 Cb 0.23 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.28 2pny h LEU 182 CO -0.01 0.19 -0.64 -0.07 -0.34 0.00 0.00 178.44 177.57 2pny h LEU 183 N 0.55 0.56 -0.61 2.25 3.38 -0.90 0.51 115.31 121.05 2pny h LEU 183 Ca 0.42 -0.33 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 2pny h LEU 183 Cb 0.59 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 2pny h LEU 183 CO -0.36 1.05 0.37 -0.08 0.09 0.00 0.00 178.44 179.51 2pny h GLU 184 N 0.36 0.82 -0.46 1.13 4.57 -0.67 -0.99 114.58 119.33 2pny h GLU 184 Ca -0.01 -0.07 -0.10 0.00 -1.18 0.00 0.00 59.36 58.00 2pny h GLU 184 Cb 1.19 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 29.59 2pny h GLU 184 CO 0.11 0.58 -0.10 0.00 -1.18 0.00 0.00 179.01 178.43 2pny h ARG 185 N 0.82 0.83 -0.77 1.92 3.08 -0.84 -2.59 114.38 116.83 2pny h ARG 185 Ca 0.22 -0.28 0.03 0.00 0.07 0.00 0.00 59.98 60.02 2pny h ARG 185 Cb -0.03 -0.07 -0.05 0.00 0.08 0.00 0.00 29.97 29.90 2pny h ARG 185 CO -0.04 0.90 0.49 1.49 -1.07 0.00 0.00 179.97 181.74 2pny h GLU 186 N 0.75 0.93 0.00 0.04 4.22 -0.42 -0.97 114.58 119.14 2pny h GLU 186 Ca 0.13 -0.06 -0.05 0.00 0.08 0.00 0.00 59.36 59.46 2pny h GLU 186 Cb 0.60 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 2pny h GLU 186 CO 0.04 0.62 -0.26 0.00 -2.18 0.00 0.00 179.01 177.23 2pny h ALA 187 N 1.33 1.31 0.00 2.92 0.00 -0.80 -0.97 119.26 123.04 2pny h ALA 187 Ca 0.31 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 2pny h ALA 187 Cb 0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2pny h ALA 187 CO -0.11 0.33 -0.38 0.00 0.00 0.00 0.00 179.25 179.09 2pny h ARG 188 N 0.00 0.00 0.00 0.00 3.08 -1.29 -3.48 114.38 112.69 2pny h ARG 188 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2pny h ARG 188 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.60 2pny h ARG 188 CO 0.03 0.38 0.00 0.41 -1.07 0.00 0.00 179.97 179.72 2pny n GLY 189 N 0.62 1.00 0.16 0.04 0.00 -0.37 -5.02 105.19 101.62 2pny n GLY 189 Ca 0.01 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 2pny n GLY 189 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2pny h GLU 190 N 2.92 0.11 -3.28 1.61 5.08 -1.38 -3.46 114.58 116.19 2pny h GLU 190 Ca 0.00 -0.07 -0.14 0.00 -1.00 0.00 0.00 59.36 58.15 2pny h GLU 190 Cb 0.00 0.01 -0.22 0.00 0.50 0.00 0.00 28.75 29.04 2pny h GLU 190 CO 0.00 0.65 -0.41 0.54 -1.00 0.00 0.00 179.01 178.80 2pny s VAL 191 N -3.77 0.06 -0.20 3.13 0.11 -1.26 -4.99 120.40 113.48 2pny s VAL 191 Ca -0.03 -0.47 -0.15 0.00 -2.93 0.00 0.00 61.98 58.40 2pny s VAL 191 Cb 0.13 -0.47 -0.04 0.00 -1.53 0.00 0.00 36.38 34.46 2pny s VAL 191 CO 0.77 -0.26 0.38 -0.54 -3.33 0.00 0.00 175.10 172.12 2pny s LYS 192 N -1.04 4.18 -0.00 1.54 -0.14 -1.26 -4.40 119.74 118.62 2pny s LYS 192 Ca -0.11 0.17 0.02 0.00 -1.36 0.00 0.00 55.97 54.69 2pny s LYS 192 Cb -0.06 -3.53 -0.01 0.00 -1.68 0.00 0.00 37.83 32.56 2pny s LYS 192 CO 0.02 -0.01 -0.08 0.08 -0.76 0.00 0.00 175.35 174.61 2pny s VAL 193 N 1.21 0.61 0.40 3.17 1.01 -1.26 -0.82 120.40 124.73 2pny s VAL 193 Ca 0.18 -0.39 -0.26 0.00 0.00 0.00 0.00 61.98 61.51 2pny s VAL 193 Cb -0.15 -0.53 -0.09 0.00 0.00 0.00 0.00 36.38 35.62 2pny s VAL 193 CO 0.07 0.13 1.34 0.42 0.00 0.00 0.00 175.10 177.07 2pny s THR 194 N -0.27 2.48 0.51 3.92 -4.23 0.25 -4.88 115.64 113.41 2pny s THR 194 Ca 0.02 0.44 0.17 0.00 -1.18 0.00 0.00 61.69 61.14 2pny s THR 194 Cb -0.04 -3.26 0.26 0.00 1.34 0.00 0.00 72.50 70.80 2pny s THR 194 CO -0.00 0.07 2.12 1.55 -0.54 0.00 0.00 174.62 177.82 2pny h PRO 195 N 2.70 0.00 0.00 3.99 0.13 -1.98 -2.34 132.00 134.49 2pny h PRO 195 Ca -0.50 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.60 2pny h PRO 195 Cb 1.25 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.37 2pny h PRO 195 CO 0.63 0.04 -0.15 0.11 -0.23 0.00 0.00 178.00 178.39 2pny h TRP 196 N 0.00 0.00 -0.48 1.56 0.09 -1.98 -2.96 115.95 112.17 2pny h TRP 196 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 58.89 58.97 2pny h TRP 196 Cb 0.07 0.00 -0.02 0.00 0.08 0.00 0.00 29.16 29.29 2pny h TRP 196 CO 0.00 0.15 0.25 1.25 0.09 0.00 0.00 178.44 180.18 2pny h LEU 197 N 0.00 0.62 -0.48 0.11 5.85 -1.79 0.20 115.31 119.82 2pny h LEU 197 Ca -0.00 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 2pny h LEU 197 Cb 0.83 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.68 2pny h LEU 197 CO 0.02 0.55 0.27 -0.09 -0.34 0.00 0.00 178.44 178.86 2pny h ARG 198 N 0.63 0.66 -0.26 1.25 2.43 -1.65 -0.72 114.38 116.73 2pny h ARG 198 Ca 0.17 -0.07 0.03 0.00 -0.81 0.00 0.00 59.98 59.29 2pny h ARG 198 Cb 0.09 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.48 2pny h ARG 198 CO -0.02 0.50 0.09 1.15 -1.51 0.00 0.00 179.97 180.17 2pny h THR 199 N 0.63 0.93 -0.56 0.20 2.02 -1.33 -0.07 112.91 114.73 2pny h THR 199 Ca 0.17 -0.07 -0.05 0.00 0.77 0.00 0.00 66.41 67.23 2pny h THR 199 Cb 0.03 0.71 -0.02 0.00 -1.74 0.00 0.00 68.15 67.12 2pny h THR 199 CO -0.03 0.04 0.15 0.40 0.37 0.00 0.00 175.52 176.45 2pny h ILE 200 N 0.20 1.24 0.35 3.11 2.04 -0.77 -0.67 117.51 123.02 2pny h ILE 200 Ca 0.11 -0.85 -0.02 0.00 1.00 0.00 0.00 64.86 65.10 2pny h ILE 200 Cb 0.08 0.73 0.00 0.00 -0.74 0.00 0.00 36.82 36.89 2pny h ILE 200 CO -0.12 0.32 -0.17 0.00 0.00 0.00 0.00 178.15 178.18 2pny h ALA 201 N 1.03 -0.47 -0.01 1.87 0.00 -0.75 0.09 119.26 121.02 2pny h ALA 201 Ca 0.18 -0.13 -0.14 0.00 0.00 0.00 0.00 54.91 54.82 2pny h ALA 201 Cb 0.32 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 2pny h ALA 201 CO -0.00 -0.72 -0.62 0.93 0.00 0.00 0.00 179.25 178.84 2pny h GLU 202 N -0.57 0.06 0.06 0.00 5.08 -0.97 -1.93 114.58 116.31 2pny h GLU 202 Ca -0.05 -0.04 -0.31 0.00 -1.00 0.00 0.00 59.36 57.96 2pny h GLU 202 Cb 0.42 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.65 2pny h GLU 202 CO 0.08 0.66 -1.73 0.00 -1.00 0.00 0.00 179.01 177.02 2pny h ARG 203 N 0.04 0.12 0.00 2.33 2.47 -1.15 -3.46 114.38 114.74 2pny h ARG 203 Ca -0.01 -0.21 0.00 0.00 -1.26 0.00 0.00 59.98 58.50 2pny h ARG 203 Cb 1.11 0.08 0.00 0.00 -1.65 0.00 0.00 29.97 29.51 2pny h ARG 203 CO 0.08 0.84 -0.45 1.19 0.56 0.00 0.00 179.97 182.19 2pny n PHE 204 N -3.26 -0.27 -0.19 3.04 3.72 -0.27 -4.79 117.46 115.43 2pny n PHE 204 Ca -0.20 0.05 -0.10 0.00 -0.05 0.00 0.00 57.45 57.15 2pny n PHE 204 Cb 1.04 0.15 0.01 0.00 -0.94 0.00 0.00 39.48 39.74 2pny n PHE 204 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 2pny h LEU 205 N 0.00 0.99 -1.37 4.37 3.38 -0.69 -1.44 115.31 120.55 2pny h LEU 205 Ca 0.00 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 57.63 2pny h LEU 205 Cb 0.45 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 2pny h LEU 205 CO 0.00 1.08 0.29 1.88 0.09 0.00 0.00 178.44 181.78 2pny h TYR 206 N 0.87 0.70 -0.17 1.13 0.05 -1.63 0.04 116.97 117.97 2pny h TYR 206 Ca 0.15 -0.00 -0.13 0.00 0.05 0.00 0.00 58.73 58.79 2pny h TYR 206 Cb 0.60 -0.23 -0.01 0.00 1.01 0.00 0.00 36.73 38.10 2pny h TYR 206 CO 0.04 0.49 -0.46 -0.09 -1.05 0.00 0.00 178.16 177.10 2pny h ARG 207 N 0.73 0.42 0.00 4.88 2.43 -1.61 -3.29 114.38 117.94 2pny h ARG 207 Ca 0.19 -0.23 -0.13 0.00 -0.81 0.00 0.00 59.98 59.00 2pny h ARG 207 Cb 0.01 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.55 2pny h ARG 207 CO -0.03 0.80 -0.88 -1.49 -1.51 0.00 0.00 179.97 176.85 2pny h TRP 208 N 0.34 0.00 -0.90 2.20 6.55 -0.47 -3.41 115.95 120.25 2pny h TRP 208 Ca 0.02 0.00 0.05 0.00 0.95 0.00 0.00 58.89 59.91 2pny h TRP 208 Cb 0.94 0.00 -0.06 0.00 -0.86 0.00 0.00 29.16 29.18 2pny h TRP 208 CO 0.03 0.56 0.58 2.35 -1.05 0.00 0.00 178.44 180.90 2pny h TRP 209 N 0.00 1.08 0.00 0.49 2.91 -1.09 0.21 115.95 119.55 2pny h TRP 209 Ca -0.06 0.03 0.00 0.00 1.13 0.00 0.00 58.89 59.98 2pny h TRP 209 Cb 1.48 -0.35 0.00 0.00 -0.51 0.00 0.00 29.16 29.78 2pny h TRP 209 CO 0.00 0.59 0.00 -2.30 -1.03 0.00 0.00 178.44 175.70 2pny n PRO 210 N -4.55 0.33 -0.58 2.65 -0.02 -1.26 -3.37 135.00 128.21 2pny n PRO 210 Ca 0.12 0.08 0.06 0.00 -2.02 0.00 0.00 63.50 61.74 2pny n PRO 210 Cb 0.13 -1.50 0.12 0.00 -0.02 0.00 0.00 33.50 32.23 2pny n PRO 210 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 2pny n HIS 211 N -1.15 0.00 0.28 6.00 8.25 0.73 -4.84 115.22 124.50 2pny n HIS 211 Ca 0.09 -0.91 0.14 0.00 -0.26 0.00 0.00 57.72 56.78 2pny n HIS 211 Cb 0.08 -0.17 0.65 0.00 1.12 0.00 0.00 29.99 31.68 2pny n HIS 211 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2pny h LEU 212 N 0.52 0.00 -0.97 2.41 3.38 -1.54 -0.23 115.31 118.87 2pny h LEU 212 Ca -0.04 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.85 2pny h LEU 212 Cb 1.23 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.96 2pny h LEU 212 CO 0.02 0.00 -0.06 0.44 0.09 0.00 0.00 178.44 178.93 2pny h ASP 213 N 0.00 0.66 -2.19 -0.43 5.19 -1.90 -3.39 116.42 114.35 2pny h ASP 213 Ca 0.00 -0.17 -0.46 0.00 -0.62 0.00 0.00 57.03 55.78 2pny h ASP 213 Cb 0.18 -0.18 -0.34 0.00 0.18 0.00 0.00 39.33 39.17 2pny h ASP 213 CO 0.00 0.77 -0.76 1.51 -3.12 0.00 0.00 179.24 177.64 2pny s ASP 214 N -6.70 1.81 0.00 6.45 -4.77 -0.10 -4.98 116.67 108.37 2pny s ASP 214 Ca -0.09 -1.90 0.26 0.00 -3.30 0.00 0.00 52.55 47.53 2pny s ASP 214 Cb 0.15 0.17 0.98 0.00 -1.09 0.00 0.00 42.92 43.13 2pny s ASP 214 CO 0.80 -0.27 1.70 1.33 0.70 0.00 0.00 175.17 179.43 2pny n VAL 215 N 4.06 0.05 -0.11 2.11 0.24 -1.20 -4.39 118.33 119.09 2pny n VAL 215 Ca 0.13 -0.27 0.15 0.00 -2.04 0.00 0.00 64.34 62.30 2pny n VAL 215 Cb 0.42 0.47 0.53 0.00 -1.47 0.00 0.00 33.84 33.80 2pny n VAL 215 CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 2pny h THR 216 N 2.34 0.83 -0.06 3.34 1.35 -1.94 -0.06 112.91 118.71 2pny h THR 216 Ca 0.00 -0.12 0.02 0.00 -0.55 0.00 0.00 66.41 65.76 2pny h THR 216 Cb 0.50 0.44 -0.00 0.00 -1.73 0.00 0.00 68.15 67.35 2pny h THR 216 CO 0.00 0.07 0.18 -0.65 -0.25 0.00 0.00 175.52 174.87 2pny h PRO 217 N 0.36 0.00 -0.03 4.72 0.11 -1.99 -2.69 132.00 132.48 2pny h PRO 217 Ca 0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.43 2pny h PRO 217 Cb 0.75 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.86 2pny h PRO 217 CO -0.09 0.00 -0.01 1.19 -0.21 0.00 0.00 178.00 178.88 2pny n PHE 218 N -3.26 0.00 -2.25 0.65 3.72 -0.03 -4.94 117.46 111.35 2pny n PHE 218 Ca -0.01 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.98 2pny n PHE 218 Cb 0.27 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.77 2pny n PHE 218 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 2pny s VAL 219 N -2.01 3.32 -0.24 -4.37 1.01 -1.02 -4.86 120.40 112.24 2pny s VAL 219 Ca 0.29 1.07 0.02 0.00 0.00 0.00 0.00 61.98 63.36 2pny s VAL 219 Cb 0.20 -3.68 0.06 0.00 0.00 0.00 0.00 36.38 32.95 2pny s VAL 219 CO 0.31 0.15 -0.09 -1.61 0.00 0.00 0.00 175.10 173.86 2pny s GLU 220 N 0.03 2.04 0.44 2.72 2.02 0.44 -5.04 118.70 121.35 2pny s GLU 220 Ca 0.57 -1.12 -0.02 0.00 0.02 0.00 0.00 54.97 54.42 2pny s GLU 220 Cb -0.35 -2.70 -0.02 0.00 0.10 0.00 0.00 34.13 31.16 2pny s GLU 220 CO 0.37 -0.54 0.69 -0.51 0.02 0.00 0.00 175.26 175.29 2pny s LEU 221 N 1.25 3.71 -1.51 1.80 1.43 -1.26 -4.43 118.68 119.67 2pny s LEU 221 Ca -0.06 0.55 -0.13 0.00 -1.03 0.00 0.00 54.13 53.46 2pny s LEU 221 Cb -0.19 -3.44 0.08 0.00 0.03 0.00 0.00 46.19 42.68 2pny s LEU 221 CO -0.06 -0.58 0.88 1.41 0.23 0.00 0.00 176.35 178.22 2pny n HIS 222 N -2.09 -2.18 -3.76 0.29 8.25 -1.26 -4.96 115.22 109.51 2pny n HIS 222 Ca -0.00 0.81 -0.13 0.00 -0.26 0.00 0.00 57.72 58.13 2pny n HIS 222 Cb 0.56 -3.79 -0.14 0.00 1.12 0.00 0.00 29.99 27.74 2pny n HIS 222 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 2pny s LYS 223 N -6.50 0.09 -0.16 -0.41 2.47 -1.26 -5.12 119.74 108.85 2pny s LYS 223 Ca 0.61 0.32 -0.01 0.00 -1.56 0.00 0.00 55.97 55.34 2pny s LYS 223 Cb -0.31 -0.14 0.04 0.00 -1.46 0.00 0.00 37.83 35.96 2pny s LYS 223 CO 0.76 -0.14 -0.05 0.42 0.16 0.00 0.00 175.35 176.50 2pny s ILE 224 N 0.96 1.04 0.03 5.43 1.01 -1.26 -3.92 121.20 124.49 2pny s ILE 224 Ca -0.07 -0.57 -0.30 0.00 0.00 0.00 0.00 60.65 59.70 2pny s ILE 224 Cb -0.10 -1.23 -0.05 0.00 0.01 0.00 0.00 42.46 41.10 2pny s ILE 224 CO -0.05 0.13 1.23 -1.00 0.00 0.00 0.00 174.94 175.26 2pny s HIS 225 N 1.66 3.30 -0.38 3.97 3.76 0.25 -4.89 115.29 122.96 2pny s HIS 225 Ca 0.01 1.21 -0.18 0.00 -0.15 0.00 0.00 55.06 55.96 2pny s HIS 225 Cb -0.15 -3.46 0.01 0.00 1.11 0.00 0.00 32.58 30.09 2pny s HIS 225 CO -0.08 -1.45 0.48 1.03 -0.85 0.00 0.00 174.74 173.87 2pny s ARG 226 N 1.50 3.40 0.00 1.40 1.81 -1.26 0.41 118.95 126.20 2pny s ARG 226 Ca 0.59 -0.43 0.00 0.00 -1.72 0.00 0.00 55.73 54.17 2pny s ARG 226 Cb -0.29 -3.88 0.00 0.00 -0.45 0.00 0.00 34.95 30.34 2pny s ARG 226 CO 0.27 -0.73 0.46 1.33 -0.68 0.00 0.00 175.30 175.95