#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pnr h ILE 4 N 0.00 1.21 -0.76 1.09 2.10 -1.99 0.19 117.51 119.35 1pnr h ILE 4 Ca 0.00 -0.59 0.01 0.00 1.08 0.00 0.00 64.86 65.36 1pnr h ILE 4 Cb 0.00 0.38 -0.04 0.00 -1.09 0.00 0.00 36.82 36.07 1pnr h ILE 4 CO 0.00 0.25 0.51 0.11 -1.08 0.00 0.00 178.15 177.93 1pnr h LYS 5 N 0.92 0.98 -0.34 2.19 6.56 -1.99 0.33 116.57 125.22 1pnr h LYS 5 Ca 0.23 -0.06 -0.15 0.00 -1.06 0.00 0.00 60.65 59.61 1pnr h LYS 5 Cb 0.09 -0.22 -0.01 0.00 -0.57 0.00 0.00 32.23 31.52 1pnr h LYS 5 CO -0.03 0.65 -0.37 -0.44 -2.06 0.00 0.00 179.45 177.20 1pnr h ASP 6 N 1.01 0.85 -0.33 0.86 3.32 -1.45 -2.55 116.42 118.13 1pnr h ASP 6 Ca 0.29 -0.37 -0.06 0.00 0.02 0.00 0.00 57.03 56.90 1pnr h ASP 6 Cb -0.08 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.22 1pnr h ASP 6 CO -0.07 1.13 -0.02 0.58 -1.72 0.00 0.00 179.24 179.14 1pnr h VAL 7 N 0.66 1.26 -0.99 -1.35 2.07 0.10 -2.84 116.25 115.17 1pnr h VAL 7 Ca 0.06 -1.00 0.20 0.00 0.82 0.00 0.00 66.70 66.79 1pnr h VAL 7 Cb 0.92 1.26 -0.10 0.00 -1.52 0.00 0.00 31.29 31.86 1pnr h VAL 7 CO 0.08 0.33 0.62 0.00 0.02 0.00 0.00 177.57 178.62 1pnr h ALA 8 N 0.84 1.87 0.04 1.67 0.00 -0.23 -2.38 119.26 121.06 1pnr h ALA 8 Ca 0.09 0.06 -0.22 0.00 0.00 0.00 0.00 54.91 54.84 1pnr h ALA 8 Cb 0.47 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1pnr h ALA 8 CO 0.02 -0.22 -1.01 -0.22 0.00 0.00 0.00 179.25 177.82 1pnr h LYS 9 N 0.64 0.16 0.00 0.00 3.64 -1.31 0.52 116.57 120.22 1pnr h LYS 9 Ca 0.56 -0.23 -0.06 0.00 -1.27 0.00 0.00 60.65 59.65 1pnr h LYS 9 Cb 1.04 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.92 1pnr h LYS 9 CO -0.32 1.04 -0.31 -0.09 -2.27 0.00 0.00 179.45 177.50 1pnr h ARG 10 N 0.07 0.00 0.00 1.90 9.65 -1.20 -2.82 114.38 121.98 1pnr h ARG 10 Ca -0.06 0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 58.79 1pnr h ARG 10 Cb 1.70 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 30.27 1pnr h ARG 10 CO 0.15 0.31 -1.27 0.00 2.80 0.00 0.00 179.97 181.96 1pnr n ALA 11 N -2.39 2.46 -3.23 2.80 0.00 -1.03 -4.97 120.51 114.15 1pnr n ALA 11 Ca -0.02 -0.35 -0.15 0.00 0.00 0.00 0.00 53.44 52.92 1pnr n ALA 11 Cb 0.38 -1.00 0.07 0.00 0.00 0.00 0.00 19.45 18.90 1pnr n ALA 11 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1pnr n ASN 12 N -2.64 -5.05 -3.55 0.00 0.23 0.17 -4.94 115.26 99.48 1pnr n ASN 12 Ca -0.03 -0.65 -0.12 0.00 -0.53 0.00 0.00 54.58 53.25 1pnr n ASN 12 Cb 0.61 -4.97 -0.04 0.00 -2.08 0.00 0.00 39.78 33.29 1pnr n ASN 12 CO 0.00 0.00 0.00 0.68 -0.93 0.00 0.00 177.26 177.01 1pnr s VAL 13 N -3.36 0.00 0.35 3.53 -7.23 -0.44 -5.03 120.40 108.22 1pnr s VAL 13 Ca 0.30 -1.52 -0.12 0.00 -1.81 0.00 0.00 61.98 58.84 1pnr s VAL 13 Cb -0.04 -2.50 -0.07 0.00 0.56 0.00 0.00 36.38 34.33 1pnr s VAL 13 CO 0.70 0.00 0.72 -0.94 -0.31 0.00 0.00 175.10 175.27 1pnr s SER 14 N -3.14 6.61 0.31 4.85 1.04 -1.26 -4.33 113.70 117.78 1pnr s SER 14 Ca 0.27 1.13 0.04 0.00 0.48 0.00 0.00 55.95 57.87 1pnr s SER 14 Cb -0.00 -2.32 0.64 0.00 0.10 0.00 0.00 66.02 64.44 1pnr s SER 14 CO 0.15 -0.28 1.84 0.71 0.98 0.00 0.00 173.24 176.64 1pnr h THR 15 N 1.51 0.89 -0.53 2.02 1.35 -1.90 1.17 112.91 117.41 1pnr h THR 15 Ca -0.47 -0.31 0.10 0.00 -0.55 0.00 0.00 66.41 65.18 1pnr h THR 15 Cb 1.18 -0.09 -0.08 0.00 -1.73 0.00 0.00 68.15 67.43 1pnr h THR 15 CO 0.65 0.16 0.05 0.74 -0.25 0.00 0.00 175.52 176.88 1pnr h THR 16 N 0.89 0.63 0.45 6.82 2.02 -1.97 0.62 112.91 122.37 1pnr h THR 16 Ca 0.49 -0.06 -0.01 0.00 0.77 0.00 0.00 66.41 67.60 1pnr h THR 16 Cb 0.58 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 67.40 1pnr h THR 16 CO -0.25 0.03 -0.40 0.74 0.37 0.00 0.00 175.52 176.01 1pnr h THR 17 N 0.17 0.20 -0.82 3.16 2.02 0.98 0.00 112.91 118.63 1pnr h THR 17 Ca 0.27 0.00 0.17 0.00 0.77 0.00 0.00 66.41 67.62 1pnr h THR 17 Cb 0.41 0.20 -0.11 0.00 -1.74 0.00 0.00 68.15 66.91 1pnr h THR 17 CO -0.41 0.00 0.34 0.58 0.37 0.00 0.00 175.52 176.41 1pnr h VAL 18 N -0.85 0.60 -0.02 3.16 2.07 -0.20 0.70 116.25 121.72 1pnr h VAL 18 Ca -0.04 -0.15 -0.08 0.00 0.82 0.00 0.00 66.70 67.24 1pnr h VAL 18 Cb 0.74 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 1pnr h VAL 18 CO -0.03 0.08 -0.38 -1.28 0.02 0.00 0.00 177.57 175.98 1pnr h SER 19 N 0.45 0.03 -0.01 0.57 0.87 0.97 -0.77 113.55 115.66 1pnr h SER 19 Ca 0.47 -0.01 -0.13 0.00 -1.23 0.00 0.00 61.79 60.88 1pnr h SER 19 Cb 0.77 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.71 1pnr h SER 19 CO -0.45 0.41 -0.43 0.45 -0.53 0.00 0.00 176.83 176.29 1pnr h HIS 20 N 0.03 0.65 0.06 2.24 -0.00 0.23 -1.57 115.15 116.78 1pnr h HIS 20 Ca 0.00 -0.19 -0.26 0.00 -0.00 0.00 0.00 60.37 59.92 1pnr h HIS 20 Cb 0.68 -0.14 0.01 0.00 -0.00 0.00 0.00 27.41 27.97 1pnr h HIS 20 CO 0.00 0.88 -1.09 -0.39 -0.00 0.00 0.00 177.93 177.33 1pnr h VAL 21 N 0.44 1.39 -0.13 2.45 -1.51 -0.73 0.40 116.25 118.56 1pnr h VAL 21 Ca 0.03 -2.59 -0.06 0.00 -1.23 0.00 0.00 66.70 62.86 1pnr h VAL 21 Cb 0.93 2.61 -0.01 0.00 -2.13 0.00 0.00 31.29 32.68 1pnr h VAL 21 CO 0.08 0.77 -0.18 0.40 -1.23 0.00 0.00 177.57 177.42 1pnr h ILE 22 N 0.21 1.19 -0.31 7.19 2.04 -1.09 -2.83 117.51 123.91 1pnr h ILE 22 Ca -0.12 -0.88 0.00 0.00 1.00 0.00 0.00 64.86 64.86 1pnr h ILE 22 Cb 1.75 1.29 0.00 0.00 -0.74 0.00 0.00 36.82 39.13 1pnr h ILE 22 CO 0.19 0.27 0.00 0.59 0.00 0.00 0.00 178.15 179.20 1pnr n ASN 23 N -4.24 3.11 -4.09 1.72 5.03 -0.60 -4.95 115.26 111.25 1pnr n ASN 23 Ca -0.01 -2.26 -0.28 0.00 0.87 0.00 0.00 54.58 52.91 1pnr n ASN 23 Cb 0.30 -0.30 -0.05 0.00 -1.02 0.00 0.00 39.78 38.71 1pnr n ASN 23 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1pnr n LYS 24 N 0.20 -2.39 -0.08 3.52 5.02 0.13 -4.84 118.16 119.73 1pnr n LYS 24 Ca 0.13 0.29 0.09 0.00 -2.02 0.00 0.00 58.31 56.80 1pnr n LYS 24 Cb 0.53 -4.16 0.12 0.00 -0.02 0.00 0.00 35.03 31.50 1pnr n LYS 24 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1pnr n THR 25 N -4.47 0.27 -3.57 -0.18 5.66 -0.69 -4.96 114.28 106.33 1pnr n THR 25 Ca -0.32 -0.63 -0.09 0.00 -3.05 0.00 0.00 64.05 59.96 1pnr n THR 25 Cb 0.69 1.14 -0.04 0.00 -1.55 0.00 0.00 70.33 70.57 1pnr n THR 25 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1pnr s ARG 26 N -1.36 0.57 0.31 1.09 1.70 -1.26 -5.08 118.95 114.91 1pnr s ARG 26 Ca 0.25 0.02 -0.29 0.00 -0.47 0.00 0.00 55.73 55.24 1pnr s ARG 26 Cb 0.16 0.27 -0.10 0.00 -0.57 0.00 0.00 34.95 34.70 1pnr s ARG 26 CO 0.23 -0.20 1.38 0.12 -1.08 0.00 0.00 175.30 175.75 1pnr s PHE 27 N -1.64 2.97 -0.02 5.89 2.19 -1.26 -4.79 117.98 121.32 1pnr s PHE 27 Ca 0.02 1.23 0.01 0.00 0.33 0.00 0.00 56.93 58.52 1pnr s PHE 27 Cb -0.01 -3.78 0.01 0.00 -1.31 0.00 0.00 43.02 37.93 1pnr s PHE 27 CO -0.02 -2.34 -0.04 0.08 1.83 0.00 0.00 175.22 174.73 1pnr s VAL 28 N -0.69 0.39 0.38 3.12 1.01 -1.26 -5.09 120.40 118.26 1pnr s VAL 28 Ca 0.54 -0.13 -0.25 0.00 0.00 0.00 0.00 61.98 62.13 1pnr s VAL 28 Cb -0.42 -0.39 -0.12 0.00 0.00 0.00 0.00 36.38 35.46 1pnr s VAL 28 CO 0.51 0.15 0.97 0.00 0.00 0.00 0.00 175.10 176.72 1pnr n ALA 29 N 3.49 -0.08 -0.13 5.51 0.00 -1.26 -4.57 120.51 123.47 1pnr n ALA 29 Ca -0.19 0.27 -0.09 0.00 0.00 0.00 0.00 53.44 53.43 1pnr n ALA 29 Cb 0.54 -2.04 -0.03 0.00 0.00 0.00 0.00 19.45 17.93 1pnr n ALA 29 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1pnr h GLU 30 N 1.61 -0.28 -0.75 0.00 5.08 -1.99 1.23 114.58 119.48 1pnr h GLU 30 Ca -0.43 0.02 0.13 0.00 -1.00 0.00 0.00 59.36 58.08 1pnr h GLU 30 Cb 1.34 0.06 -0.09 0.00 0.50 0.00 0.00 28.75 30.57 1pnr h GLU 30 CO 0.57 -0.19 0.33 0.93 -1.00 0.00 0.00 179.01 179.66 1pnr h GLU 31 N -0.29 0.49 0.21 2.33 5.08 -1.99 1.09 114.58 121.50 1pnr h GLU 31 Ca 0.16 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 1pnr h GLU 31 Cb 0.57 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1pnr h GLU 31 CO -0.57 0.33 -0.10 1.15 -1.00 0.00 0.00 179.01 178.81 1pnr h THR 32 N 0.51 0.87 -0.78 1.13 2.02 -0.96 -2.40 112.91 113.29 1pnr h THR 32 Ca 0.40 -0.76 0.19 0.00 0.77 0.00 0.00 66.41 67.01 1pnr h THR 32 Cb 0.55 1.29 -0.13 0.00 -1.74 0.00 0.00 68.15 68.13 1pnr h THR 32 CO -0.36 0.16 0.12 -0.09 0.37 0.00 0.00 175.52 175.72 1pnr h ARG 33 N -0.68 0.17 0.81 6.66 2.43 0.27 -1.25 114.38 122.79 1pnr h ARG 33 Ca -0.03 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.09 1pnr h ARG 33 Cb 0.48 -0.04 0.01 0.00 -0.42 0.00 0.00 29.97 30.00 1pnr h ARG 33 CO 0.05 0.11 -0.39 -0.91 -1.51 0.00 0.00 179.97 177.32 1pnr h ASN 34 N 0.18 -0.92 -1.14 -3.80 -0.26 0.13 -2.62 115.58 107.14 1pnr h ASN 34 Ca 0.45 0.03 0.41 0.00 -0.56 0.00 0.00 56.30 56.64 1pnr h ASN 34 Cb 0.83 0.24 -0.13 0.00 -1.06 0.00 0.00 38.32 38.19 1pnr h ASN 34 CO -0.62 -0.63 0.71 0.00 -1.06 0.00 0.00 177.43 175.83 1pnr n ALA 35 N -2.58 1.14 0.15 -0.83 0.00 -0.72 0.78 120.51 118.44 1pnr n ALA 35 Ca -0.14 0.80 -0.13 0.00 0.00 0.00 0.00 53.44 53.98 1pnr n ALA 35 Cb 0.43 -0.93 -0.08 0.00 0.00 0.00 0.00 19.45 18.87 1pnr n ALA 35 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1pnr h VAL 36 N 0.00 0.66 -0.99 0.00 2.07 -0.99 -2.29 116.25 114.71 1pnr h VAL 36 Ca 0.77 -0.67 0.15 0.00 0.82 0.00 0.00 66.70 67.78 1pnr h VAL 36 Cb 2.39 0.97 -0.10 0.00 -1.52 0.00 0.00 31.29 33.04 1pnr h VAL 36 CO -0.48 0.12 0.61 -0.50 0.02 0.00 0.00 177.57 177.34 1pnr h TRP 37 N -0.81 1.08 -0.29 1.57 -0.00 0.72 0.71 115.95 118.93 1pnr h TRP 37 Ca -0.04 0.03 0.04 0.00 -0.00 0.00 0.00 58.89 58.92 1pnr h TRP 37 Cb 0.52 -0.33 -0.07 0.00 -0.00 0.00 0.00 29.16 29.27 1pnr h TRP 37 CO 0.03 0.33 -0.52 0.00 -0.00 0.00 0.00 178.44 178.28 1pnr h ALA 38 N 1.59 -0.80 0.03 1.49 0.00 -0.80 1.31 119.26 122.09 1pnr h ALA 38 Ca 0.53 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.42 1pnr h ALA 38 Cb 0.69 1.06 0.00 0.00 0.00 0.00 0.00 17.79 19.54 1pnr h ALA 38 CO -0.33 -1.02 -0.01 0.00 0.00 0.00 0.00 179.25 177.89 1pnr h ALA 39 N -0.23 -0.04 -0.99 0.00 0.00 -0.67 -0.79 119.26 116.55 1pnr h ALA 39 Ca 0.05 -0.02 0.28 0.00 0.00 0.00 0.00 54.91 55.22 1pnr h ALA 39 Cb 0.59 0.02 -0.14 0.00 0.00 0.00 0.00 17.79 18.26 1pnr h ALA 39 CO -0.50 -0.51 0.55 0.82 0.00 0.00 0.00 179.25 179.61 1pnr h ILE 40 N -0.07 0.42 0.15 0.00 1.08 0.22 0.19 117.51 119.49 1pnr h ILE 40 Ca -0.00 -0.15 -0.01 0.00 -0.39 0.00 0.00 64.86 64.31 1pnr h ILE 40 Cb 0.06 -0.06 0.00 0.00 -3.07 0.00 0.00 36.82 33.76 1pnr h ILE 40 CO 0.01 0.08 -0.07 0.11 -0.69 0.00 0.00 178.15 177.59 1pnr h LYS 41 N 0.43 -0.19 -0.90 2.37 1.79 0.29 -0.83 116.57 119.54 1pnr h LYS 41 Ca 0.67 0.01 0.16 0.00 -2.18 0.00 0.00 60.65 59.32 1pnr h LYS 41 Cb 1.40 0.04 -0.10 0.00 -1.58 0.00 0.00 32.23 31.99 1pnr h LYS 41 CO -0.55 -0.13 0.48 1.05 -1.08 0.00 0.00 179.45 179.23 1pnr h GLU 42 N -0.40 0.63 0.00 3.15 4.11 -0.72 2.53 114.58 123.88 1pnr h GLU 42 Ca -0.02 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.37 1pnr h GLU 42 Cb 0.15 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1pnr h GLU 42 CO 0.03 0.42 0.00 1.28 0.07 0.00 0.00 179.01 180.81 1pnr n LEU 43 N -4.85 0.25 -3.64 3.06 7.99 0.62 -4.82 117.00 115.60 1pnr n LEU 43 Ca 0.19 0.59 -0.22 0.00 -0.01 0.00 0.00 56.01 56.57 1pnr n LEU 43 Cb 0.49 -0.60 0.05 0.00 -0.11 0.00 0.00 43.42 43.25 1pnr n LEU 43 CO 0.20 -0.57 0.05 1.41 -1.51 0.00 0.00 177.39 176.97 1pnr n HIS 44 N -1.81 -2.17 -2.42 -1.77 8.25 0.85 -4.92 115.22 111.23 1pnr n HIS 44 Ca 0.01 0.90 -0.42 0.00 -0.26 0.00 0.00 57.72 57.95 1pnr n HIS 44 Cb 0.08 -4.61 -0.03 0.00 1.12 0.00 0.00 29.99 26.55 1pnr n HIS 44 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 1pnr s TYR 45 N -3.48 3.45 -0.25 4.41 5.04 -0.35 -5.04 117.35 121.14 1pnr s TYR 45 Ca 0.17 1.36 0.02 0.00 -2.44 0.00 0.00 57.07 56.19 1pnr s TYR 45 Cb -0.08 -3.41 0.06 0.00 0.35 0.00 0.00 41.96 38.87 1pnr s TYR 45 CO 0.78 -1.20 -0.11 0.45 -1.34 0.00 0.00 175.55 174.13 1pnr s SER 46 N 0.69 4.18 0.29 4.32 0.15 -1.26 -4.99 113.70 117.08 1pnr s SER 46 Ca 0.56 -1.27 -0.29 0.00 0.70 0.00 0.00 55.95 55.65 1pnr s SER 46 Cb -0.30 -1.47 -0.13 0.00 -1.71 0.00 0.00 66.02 62.41 1pnr s SER 46 CO 0.32 -0.18 1.35 -2.65 1.20 0.00 0.00 173.24 173.28 1pnr n PRO 47 N 4.50 2.10 -2.75 5.44 -0.02 -1.26 -4.90 135.00 138.11 1pnr n PRO 47 Ca -0.14 0.74 -0.43 0.00 -2.02 0.00 0.00 63.50 61.65 1pnr n PRO 47 Cb 0.43 -2.36 -0.03 0.00 -0.02 0.00 0.00 33.50 31.52 1pnr n PRO 47 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1pnr s SER 48 N -0.01 6.80 0.38 2.55 0.15 -1.26 -4.89 113.70 117.42 1pnr s SER 48 Ca 0.61 0.84 0.19 0.00 0.70 0.00 0.00 55.95 58.29 1pnr s SER 48 Cb -0.60 -2.49 0.72 0.00 -1.71 0.00 0.00 66.02 61.94 1pnr s SER 48 CO 0.56 -0.82 1.76 0.00 1.20 0.00 0.00 173.24 175.94 1pnr h ALA 49 N 8.21 1.04 -0.45 5.45 0.00 -1.98 -0.88 119.26 130.64 1pnr h ALA 49 Ca -0.22 -0.33 -0.10 0.00 0.00 0.00 0.00 54.91 54.26 1pnr h ALA 49 Cb 1.07 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1pnr h ALA 49 CO 0.99 0.45 -0.11 -0.24 0.00 0.00 0.00 179.25 180.34 1pnr h VAL 50 N 0.00 1.27 0.63 0.00 3.04 -2.00 0.12 116.25 119.31 1pnr h VAL 50 Ca -0.00 -1.23 -0.03 0.00 -1.01 0.00 0.00 66.70 64.43 1pnr h VAL 50 Cb 0.85 1.14 -0.00 0.00 -2.01 0.00 0.00 31.29 31.27 1pnr h VAL 50 CO 0.05 0.42 -0.37 0.00 -1.01 0.00 0.00 177.57 176.66 1pnr h ALA 51 N 0.87 -0.94 -0.77 3.17 0.00 -1.93 -1.34 119.26 118.33 1pnr h ALA 51 Ca 0.11 -0.19 0.18 0.00 0.00 0.00 0.00 54.91 55.01 1pnr h ALA 51 Cb 0.65 0.44 -0.13 0.00 0.00 0.00 0.00 17.79 18.76 1pnr h ALA 51 CO 0.04 -1.04 0.09 -0.09 0.00 0.00 0.00 179.25 178.26 1pnr h ARG 52 N -0.93 0.16 0.00 0.00 2.43 -0.99 0.16 114.38 115.21 1pnr h ARG 52 Ca -0.08 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.01 1pnr h ARG 52 Cb 0.75 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.25 1pnr h ARG 52 CO 0.09 0.11 -0.36 0.77 -1.51 0.00 0.00 179.97 179.07 1pnr h SER 53 N 0.17 0.00 -0.86 -3.80 0.02 -0.49 -0.91 113.55 107.68 1pnr h SER 53 Ca 0.43 0.00 0.10 0.00 -0.84 0.00 0.00 61.79 61.48 1pnr h SER 53 Cb 0.78 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.25 1pnr h SER 53 CO -0.61 0.36 0.50 0.25 -1.14 0.00 0.00 176.83 176.18 1pnr h LEU 54 N 0.00 0.72 0.00 5.07 5.85 0.47 -0.37 115.31 127.05 1pnr h LEU 54 Ca -0.00 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.76 1pnr h LEU 54 Cb 0.63 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.57 1pnr h LEU 54 CO 0.05 0.41 -0.16 0.11 -0.34 0.00 0.00 178.44 178.51 1pnr h LYS 55 N 0.83 0.00 0.00 1.25 1.79 -0.78 -3.38 116.57 116.28 1pnr h LYS 55 Ca 0.41 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.88 1pnr h LYS 55 Cb 0.37 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.02 1pnr h LYS 55 CO -0.25 0.00 0.02 -0.39 -1.08 0.00 0.00 179.45 177.75 1pnr h VAL 56 N -0.63 0.00 -3.14 0.50 -1.51 -1.29 -3.47 116.25 106.72 1pnr h VAL 56 Ca 0.00 0.00 -0.15 0.00 -1.23 0.00 0.00 66.70 65.32 1pnr h VAL 56 Cb 0.16 0.59 0.06 0.00 -2.13 0.00 0.00 31.29 29.97 1pnr h VAL 56 CO 0.00 0.00 -0.29 -3.20 -1.23 0.00 0.00 177.57 172.85 1pnr n ASN 57 N -2.44 -3.14 -3.62 4.19 5.15 -0.15 -5.04 115.26 110.20 1pnr n ASN 57 Ca -0.02 -0.23 -0.06 0.00 -0.60 0.00 0.00 54.58 53.67 1pnr n ASN 57 Cb 0.06 -2.34 -0.06 0.00 -0.53 0.00 0.00 39.78 36.91 1pnr n ASN 57 CO 0.00 0.00 0.00 -1.38 1.40 0.00 0.00 177.26 177.28 1pnr s HIS 58 N -3.13 -0.23 -0.80 1.20 -3.43 -1.23 -5.04 115.29 102.63 1pnr s HIS 58 Ca 0.15 0.48 0.21 0.00 -0.80 0.00 0.00 55.06 55.10 1pnr s HIS 58 Cb -0.07 0.45 -0.25 0.00 -1.43 0.00 0.00 32.58 31.29 1pnr s HIS 58 CO 0.29 -0.16 0.80 0.25 -2.00 0.00 0.00 174.74 173.93 1pnr n THR 59 N 1.19 0.00 -3.59 -5.38 -2.24 -1.26 -4.47 114.28 98.53 1pnr n THR 59 Ca -0.08 -0.10 -0.21 0.00 -2.27 0.00 0.00 64.05 61.38 1pnr n THR 59 Cb 0.57 0.80 0.07 0.00 -2.10 0.00 0.00 70.33 69.67 1pnr n THR 59 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1pnr n LYS 60 N -1.64 -6.54 -3.77 -0.78 3.00 -1.26 -4.90 118.16 102.26 1pnr n LYS 60 Ca 0.02 0.77 -0.13 0.00 -0.00 0.00 0.00 58.31 58.97 1pnr n LYS 60 Cb 0.37 -5.69 -0.11 0.00 0.00 0.00 0.00 35.03 29.60 1pnr n LYS 60 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 1pnr s SER 61 N -3.95 -0.28 0.05 3.14 1.04 -1.26 -1.84 113.70 110.60 1pnr s SER 61 Ca 0.24 0.49 0.09 0.00 0.48 0.00 0.00 55.95 57.26 1pnr s SER 61 Cb -0.11 0.55 -0.03 0.00 0.10 0.00 0.00 66.02 66.53 1pnr s SER 61 CO 0.76 -0.17 -0.26 0.27 0.98 0.00 0.00 173.24 174.82 1pnr s ILE 62 N -0.13 2.14 -0.15 -1.02 -5.25 0.99 -1.04 121.20 116.72 1pnr s ILE 62 Ca -0.03 -1.41 -0.01 0.00 -0.99 0.00 0.00 60.65 58.22 1pnr s ILE 62 Cb -0.03 -1.83 -0.01 0.00 2.95 0.00 0.00 42.46 43.54 1pnr s ILE 62 CO 0.01 0.35 -0.11 -0.83 -1.79 0.00 0.00 174.94 172.57 1pnr s GLY 63 N -1.28 1.56 -0.45 6.27 0.00 -0.99 -0.15 107.32 112.28 1pnr s GLY 63 Ca 0.12 -0.96 -0.19 0.00 0.00 0.00 0.00 44.72 43.69 1pnr s GLY 63 CO 0.02 -0.03 0.57 -2.27 0.00 0.00 0.00 173.10 171.40 1pnr s LEU 64 N 0.63 4.76 -0.89 0.66 2.96 0.65 -0.72 118.68 126.73 1pnr s LEU 64 Ca -0.06 -0.63 -0.13 0.00 -0.22 0.00 0.00 54.13 53.09 1pnr s LEU 64 Cb -0.15 -2.53 0.23 0.00 0.50 0.00 0.00 46.19 44.24 1pnr s LEU 64 CO 0.03 -0.75 0.85 -0.22 -1.32 0.00 0.00 176.35 174.93 1pnr s LEU 65 N 2.55 6.66 0.00 -0.68 2.96 0.24 0.51 118.68 130.91 1pnr s LEU 65 Ca 0.17 -2.91 0.01 0.00 -0.22 0.00 0.00 54.13 51.17 1pnr s LEU 65 Cb -0.17 -2.21 0.08 0.00 0.50 0.00 0.00 46.19 44.40 1pnr s LEU 65 CO 0.15 -0.50 0.57 0.00 -1.32 0.00 0.00 176.35 175.25 1pnr n ALA 66 N 3.66 0.19 -0.10 5.97 0.00 0.61 -1.63 120.51 129.22 1pnr n ALA 66 Ca 0.16 -1.16 -0.17 0.00 0.00 0.00 0.00 53.44 52.28 1pnr n ALA 66 Cb 0.45 0.21 -0.07 0.00 0.00 0.00 0.00 19.45 20.04 1pnr n ALA 66 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1pnr n THR 67 N -2.18 1.49 -3.85 0.00 -1.04 -0.85 -1.48 114.28 106.37 1pnr n THR 67 Ca 0.10 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 62.04 1pnr n THR 67 Cb 0.35 -2.16 -0.01 0.00 -1.82 0.00 0.00 70.33 66.68 1pnr n THR 67 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1pnr s SER 68 N -6.52 -0.23 0.00 8.00 1.04 -1.26 -0.42 113.70 114.31 1pnr s SER 68 Ca -0.27 -0.66 0.00 0.00 0.48 0.00 0.00 55.95 55.51 1pnr s SER 68 Cb 0.06 0.73 0.00 0.00 0.10 0.00 0.00 66.02 66.91 1pnr s SER 68 CO 0.44 -1.36 0.11 -1.54 0.98 0.00 0.00 173.24 171.87 1pnr n SER 69 N -0.56 0.22 -0.04 7.02 3.41 -1.26 -4.80 113.62 117.61 1pnr n SER 69 Ca -0.05 -0.57 -0.14 0.00 -0.26 0.00 0.00 58.87 57.86 1pnr n SER 69 Cb 0.59 0.32 -0.09 0.00 -0.26 0.00 0.00 64.21 64.77 1pnr n SER 69 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1pnr h GLU 70 N 0.00 0.26 -6.12 4.33 4.22 -1.98 -3.34 114.58 111.95 1pnr h GLU 70 Ca 0.00 -0.18 -0.77 0.00 0.08 0.00 0.00 59.36 58.50 1pnr h GLU 70 Cb 0.10 0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.38 1pnr h GLU 70 CO 0.00 0.78 0.85 0.00 -2.18 0.00 0.00 179.01 178.46 1pnr n ALA 71 N -2.45 -0.45 -0.29 2.92 0.00 -1.26 -4.60 120.51 114.37 1pnr n ALA 71 Ca -0.08 0.41 -0.06 0.00 0.00 0.00 0.00 53.44 53.71 1pnr n ALA 71 Cb 0.40 -2.16 -0.05 0.00 0.00 0.00 0.00 19.45 17.64 1pnr n ALA 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pnr n ALA 72 N 5.05 -0.38 -0.15 0.00 0.00 -1.26 0.15 120.51 123.90 1pnr n ALA 72 Ca 0.27 0.62 0.00 0.00 0.00 0.00 0.00 53.44 54.34 1pnr n ALA 72 Cb 0.09 -0.14 0.00 0.00 0.00 0.00 0.00 19.45 19.40 1pnr n ALA 72 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1pnr n TYR 73 N -4.92 0.00 -0.28 0.00 9.36 -1.26 0.09 117.16 120.15 1pnr n TYR 73 Ca 0.03 0.00 0.10 0.00 3.32 0.00 0.00 57.90 61.35 1pnr n TYR 73 Cb 0.20 -0.42 0.25 0.00 -0.63 0.00 0.00 39.34 38.75 1pnr n TYR 73 CO 0.00 0.00 0.00 0.74 0.22 0.00 0.00 176.86 177.82 1pnr h PHE 74 N 0.00 0.47 -0.23 2.98 0.04 -1.32 0.12 116.94 119.01 1pnr h PHE 74 Ca 0.00 0.04 -0.05 0.00 2.80 0.00 0.00 57.97 60.76 1pnr h PHE 74 Cb 0.00 -0.08 -0.01 0.00 2.20 0.00 0.00 35.95 38.06 1pnr h PHE 74 CO -0.46 -0.08 -0.09 0.00 -0.60 0.00 0.00 178.31 177.08 1pnr h ALA 75 N 1.68 1.43 -0.18 2.45 0.00 0.25 0.41 119.26 125.30 1pnr h ALA 75 Ca 0.50 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 55.08 1pnr h ALA 75 Cb 0.92 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1pnr h ALA 75 CO -0.54 0.40 -0.36 0.93 0.00 0.00 0.00 179.25 179.68 1pnr h GLU 76 N 0.34 0.57 -0.60 0.00 5.08 0.23 -1.86 114.58 118.36 1pnr h GLU 76 Ca 0.07 -0.37 0.09 0.00 -1.00 0.00 0.00 59.36 58.16 1pnr h GLU 76 Cb 0.38 0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.60 1pnr h GLU 76 CO 0.02 0.98 0.21 0.82 -1.00 0.00 0.00 179.01 180.04 1pnr h ILE 77 N 0.23 0.76 -0.23 3.13 2.04 -0.59 -2.02 117.51 120.84 1pnr h ILE 77 Ca 0.01 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.74 1pnr h ILE 77 Cb 0.96 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 1pnr h ILE 77 CO 0.08 0.07 0.15 0.40 0.00 0.00 0.00 178.15 178.85 1pnr h ILE 78 N 0.39 1.05 -0.78 -0.67 2.04 -0.85 -0.52 117.51 118.16 1pnr h ILE 78 Ca 0.30 -0.11 0.22 0.00 1.00 0.00 0.00 64.86 66.27 1pnr h ILE 78 Cb 0.38 0.72 -0.04 0.00 -0.74 0.00 0.00 36.82 37.14 1pnr h ILE 78 CO -0.31 0.06 0.56 -0.08 0.00 0.00 0.00 178.15 178.37 1pnr h GLU 79 N 0.31 0.05 0.39 2.37 4.81 -0.61 0.70 114.58 122.61 1pnr h GLU 79 Ca 0.09 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.29 1pnr h GLU 79 Cb -0.03 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.34 1pnr h GLU 79 CO -0.02 0.03 -0.19 0.00 -0.73 0.00 0.00 179.01 178.10 1pnr h ALA 80 N 1.62 -0.53 -0.60 2.92 0.00 -0.78 -2.29 119.26 119.61 1pnr h ALA 80 Ca 0.38 -0.16 0.12 0.00 0.00 0.00 0.00 54.91 55.25 1pnr h ALA 80 Cb 1.43 0.20 -0.11 0.00 0.00 0.00 0.00 17.79 19.31 1pnr h ALA 80 CO -0.02 -0.53 -0.05 0.28 0.00 0.00 0.00 179.25 178.93 1pnr h VAL 81 N -1.07 0.47 -0.80 0.00 2.07 -0.34 0.19 116.25 116.77 1pnr h VAL 81 Ca -0.05 -0.03 0.13 0.00 0.82 0.00 0.00 66.70 67.57 1pnr h VAL 81 Cb 0.49 0.39 -0.09 0.00 -1.52 0.00 0.00 31.29 30.56 1pnr h VAL 81 CO 0.09 0.01 0.39 1.05 0.02 0.00 0.00 177.57 179.14 1pnr h GLU 82 N 0.08 0.57 -0.83 1.57 -0.00 -0.87 -0.85 114.58 114.25 1pnr h GLU 82 Ca 0.31 -0.03 0.11 0.00 -0.00 0.00 0.00 59.36 59.75 1pnr h GLU 82 Cb 0.49 -0.13 -0.08 0.00 -0.00 0.00 0.00 28.75 29.03 1pnr h GLU 82 CO -0.55 0.38 0.46 0.87 -0.00 0.00 0.00 179.01 180.17 1pnr h LYS 83 N 0.59 0.71 -0.40 1.06 1.57 -0.03 -1.65 116.57 118.42 1pnr h LYS 83 Ca 0.43 -0.04 -0.14 0.00 -1.87 0.00 0.00 60.65 59.03 1pnr h LYS 83 Cb 0.58 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 1pnr h LYS 83 CO -0.35 0.47 -0.30 -0.91 -0.57 0.00 0.00 179.45 177.80 1pnr h ASN 84 N 0.73 0.91 -0.26 0.86 2.35 -0.87 -1.50 115.58 117.80 1pnr h ASN 84 Ca 0.42 -0.37 -0.01 0.00 -0.55 0.00 0.00 56.30 55.79 1pnr h ASN 84 Cb 0.47 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.58 1pnr h ASN 84 CO -0.29 1.14 0.11 0.00 -1.65 0.00 0.00 177.43 176.74 1pnr h PHE 86 N 0.27 0.70 0.00 0.00 3.57 -1.17 0.22 116.94 120.53 1pnr h PHE 86 Ca 0.09 0.03 -0.14 0.00 3.53 0.00 0.00 57.97 61.47 1pnr h PHE 86 Cb 0.16 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.68 1pnr h PHE 86 CO -0.01 0.26 -0.68 -0.56 -2.23 0.00 0.00 178.31 175.09 1pnr h GLN 87 N 0.65 0.00 -1.01 1.11 -0.00 -1.04 -3.00 115.11 111.82 1pnr h GLN 87 Ca 0.37 0.00 -0.49 0.00 -0.00 0.00 0.00 58.65 58.53 1pnr h GLN 87 Cb 0.38 0.00 -0.28 0.00 -0.00 0.00 0.00 27.48 27.58 1pnr h GLN 87 CO -0.27 0.68 0.62 1.63 -0.00 0.00 0.00 178.83 181.50 1pnr n LYS 88 N -3.45 2.18 -0.27 0.06 4.76 -0.85 -4.94 118.16 115.66 1pnr n LYS 88 Ca 0.00 -2.77 0.00 0.00 -2.87 0.00 0.00 58.31 52.67 1pnr n LYS 88 Cb 0.74 -2.09 0.00 0.00 -1.84 0.00 0.00 35.03 31.84 1pnr n LYS 88 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1pnr n GLY 89 N -0.97 0.58 3.78 0.72 0.00 -0.77 -4.98 105.19 103.55 1pnr n GLY 89 Ca 0.55 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.24 1pnr n GLY 89 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1pnr s TYR 90 N -1.66 2.70 -0.13 1.61 1.51 0.72 -4.92 117.35 117.19 1pnr s TYR 90 Ca 0.00 1.54 -0.05 0.00 -1.01 0.00 0.00 57.07 57.55 1pnr s TYR 90 Cb 0.00 -3.11 -0.04 0.00 -0.11 0.00 0.00 41.96 38.70 1pnr s TYR 90 CO 0.00 -1.59 0.04 -0.08 -1.11 0.00 0.00 175.55 172.81 1pnr s THR 91 N -2.47 4.61 -0.19 -0.71 -1.32 -0.77 -3.91 115.64 110.89 1pnr s THR 91 Ca 0.65 -0.12 -0.10 0.00 -1.21 0.00 0.00 61.69 60.91 1pnr s THR 91 Cb -0.19 -3.00 -0.05 0.00 -1.51 0.00 0.00 72.50 67.75 1pnr s THR 91 CO 0.43 0.55 0.14 -0.22 -2.21 0.00 0.00 174.62 173.32 1pnr s LEU 92 N -0.40 4.24 -0.24 9.08 1.98 -1.26 -0.01 118.68 132.06 1pnr s LEU 92 Ca 0.09 0.28 -0.02 0.00 -2.89 0.00 0.00 54.13 51.59 1pnr s LEU 92 Cb -0.12 -2.11 0.02 0.00 0.66 0.00 0.00 46.19 44.64 1pnr s LEU 92 CO 0.02 0.21 -0.06 -0.63 -1.89 0.00 0.00 176.35 173.99 1pnr s ILE 93 N 0.17 2.89 -0.18 6.68 1.01 0.79 -4.96 121.20 127.60 1pnr s ILE 93 Ca 0.10 -0.98 -0.16 0.00 0.00 0.00 0.00 60.65 59.61 1pnr s ILE 93 Cb -0.11 -2.45 -0.04 0.00 0.01 0.00 0.00 42.46 39.87 1pnr s ILE 93 CO -0.01 0.23 0.41 -0.22 0.00 0.00 0.00 174.94 175.35 1pnr s LEU 94 N 1.34 4.18 -0.07 2.97 2.96 -1.26 -0.25 118.68 128.55 1pnr s LEU 94 Ca 0.01 0.58 -0.00 0.00 -0.22 0.00 0.00 54.13 54.49 1pnr s LEU 94 Cb -0.16 -2.55 0.02 0.00 0.50 0.00 0.00 46.19 44.01 1pnr s LEU 94 CO -0.05 -0.05 -0.03 -0.83 -1.32 0.00 0.00 176.35 174.07 1pnr s GLY 95 N 0.92 0.53 -0.26 7.98 0.00 0.18 -4.95 107.32 111.73 1pnr s GLY 95 Ca 0.20 -0.18 -0.10 0.00 0.00 0.00 0.00 44.72 44.64 1pnr s GLY 95 CO 0.08 0.83 0.16 -1.31 0.00 0.00 0.00 173.10 172.86 1pnr s ASN 96 N 1.55 5.95 0.00 1.64 0.02 -1.26 -0.28 114.94 122.56 1pnr s ASN 96 Ca -0.01 0.03 0.23 0.00 -1.02 0.00 0.00 52.86 52.09 1pnr s ASN 96 Cb -0.13 -2.09 0.14 0.00 0.02 0.00 0.00 41.25 39.19 1pnr s ASN 96 CO -0.04 0.01 1.17 0.00 0.02 0.00 0.00 177.10 178.27 1pnr n ALA 97 N 4.65 3.65 -4.32 0.60 0.00 -0.55 -4.95 120.51 119.59 1pnr n ALA 97 Ca -0.15 -0.57 -0.37 0.00 0.00 0.00 0.00 53.44 52.35 1pnr n ALA 97 Cb 0.52 -0.88 -0.05 0.00 0.00 0.00 0.00 19.45 19.05 1pnr n ALA 97 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 1pnr n TRP 98 N -0.45 -1.51 -2.08 0.00 7.02 0.44 0.20 117.44 121.06 1pnr n TRP 98 Ca 0.09 0.74 -0.20 0.00 -1.02 0.00 0.00 57.50 57.11 1pnr n TRP 98 Cb 0.42 -2.65 -0.04 0.00 -2.42 0.00 0.00 31.31 26.61 1pnr n TRP 98 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 1pnr n ASN 99 N -2.64 -5.65 -4.40 -0.99 4.13 -1.26 -4.96 115.26 99.49 1pnr n ASN 99 Ca 0.02 0.20 -0.35 0.00 1.68 0.00 0.00 54.58 56.13 1pnr n ASN 99 Cb 0.51 -4.82 -0.13 0.00 -1.54 0.00 0.00 39.78 33.80 1pnr n ASN 99 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 1pnr s ASN 100 N -2.32 4.71 0.20 6.41 2.47 0.54 -4.98 114.94 121.96 1pnr s ASN 100 Ca 0.00 -0.26 -0.13 0.00 0.42 0.00 0.00 52.86 52.88 1pnr s ASN 100 Cb 0.00 -1.81 0.22 0.00 -1.45 0.00 0.00 41.25 38.20 1pnr s ASN 100 CO 0.00 0.02 1.66 0.25 -3.72 0.00 0.00 177.10 175.31 1pnr h LEU 101 N 7.83 -0.34 0.10 3.21 5.85 -1.93 1.02 115.31 131.05 1pnr h LEU 101 Ca -0.38 0.14 0.02 0.00 0.84 0.00 0.00 57.88 58.50 1pnr h LEU 101 Cb 1.17 0.27 -0.03 0.00 0.37 0.00 0.00 40.66 42.44 1pnr h LEU 101 CO 0.60 -0.13 -0.24 -0.33 -0.34 0.00 0.00 178.44 178.00 1pnr h GLU 102 N 0.07 -0.42 -0.50 1.25 4.39 -1.94 2.01 114.58 119.44 1pnr h GLU 102 Ca 0.27 0.03 0.06 0.00 0.34 0.00 0.00 59.36 60.06 1pnr h GLU 102 Cb 0.43 0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 29.14 1pnr h GLU 102 CO -0.50 -0.28 0.34 -0.22 -1.16 0.00 0.00 179.01 177.19 1pnr h LYS 103 N -0.44 0.45 -0.01 2.33 1.63 -1.67 0.25 116.57 119.11 1pnr h LYS 103 Ca 0.03 -0.03 -0.06 0.00 -0.85 0.00 0.00 60.65 59.75 1pnr h LYS 103 Cb 0.47 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.00 1pnr h LYS 103 CO -0.15 0.30 -0.22 -0.56 -3.45 0.00 0.00 179.45 175.37 1pnr h GLN 104 N 0.46 0.16 -0.75 1.90 3.07 0.50 -2.45 115.11 118.01 1pnr h GLN 104 Ca 0.22 -0.17 0.18 0.00 0.09 0.00 0.00 58.65 58.97 1pnr h GLN 104 Cb 0.27 0.04 -0.04 0.00 0.08 0.00 0.00 27.48 27.83 1pnr h GLN 104 CO -0.06 0.89 0.52 0.07 0.09 0.00 0.00 178.83 180.34 1pnr h ARG 105 N -0.50 0.22 0.38 0.06 0.11 0.42 -1.22 114.38 113.84 1pnr h ARG 105 Ca -0.03 -0.01 -0.02 0.00 0.10 0.00 0.00 59.98 60.02 1pnr h ARG 105 Cb 0.96 -0.05 0.00 0.00 1.11 0.00 0.00 29.97 32.00 1pnr h ARG 105 CO 0.04 0.14 -0.18 0.00 0.10 0.00 0.00 179.97 180.08 1pnr h ALA 106 N 1.65 -0.50 -0.50 0.08 0.00 -0.47 -2.61 119.26 116.90 1pnr h ALA 106 Ca 0.37 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 55.12 1pnr h ALA 106 Cb 1.12 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 19.08 1pnr h ALA 106 CO -0.08 -0.54 0.33 1.88 0.00 0.00 0.00 179.25 180.85 1pnr h TYR 107 N -1.00 0.59 0.30 0.00 0.05 -1.08 0.35 116.97 116.18 1pnr h TYR 107 Ca -0.05 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.74 1pnr h TYR 107 Cb 0.52 -0.20 -0.01 0.00 1.01 0.00 0.00 36.73 38.05 1pnr h TYR 107 CO 0.03 0.36 -0.22 1.25 -1.05 0.00 0.00 178.16 178.53 1pnr h LEU 108 N 0.62 -0.55 -0.79 3.88 5.85 -1.28 0.92 115.31 123.96 1pnr h LEU 108 Ca 0.19 0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.91 1pnr h LEU 108 Cb 0.01 0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 1pnr h LEU 108 CO -0.05 -0.34 0.30 0.77 -0.34 0.00 0.00 178.44 178.79 1pnr h SER 109 N -0.52 1.10 -0.32 1.25 4.64 -0.89 -0.00 113.55 118.81 1pnr h SER 109 Ca -0.02 -0.18 0.00 0.00 -0.47 0.00 0.00 61.79 61.11 1pnr h SER 109 Cb 0.44 -0.29 -0.02 0.00 -0.31 0.00 0.00 62.40 62.23 1pnr h SER 109 CO 0.01 0.99 0.20 0.24 -0.87 0.00 0.00 176.83 177.40 1pnr h MET 110 N 1.16 0.43 -0.21 4.77 2.86 0.11 -1.09 114.93 122.95 1pnr h MET 110 Ca 0.26 -0.03 -0.06 0.00 -2.06 0.00 0.00 59.70 57.82 1pnr h MET 110 Cb 0.24 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.79 1pnr h MET 110 CO -0.02 0.30 -0.09 0.52 1.06 0.00 0.00 176.91 178.68 1pnr h MET 111 N 0.45 0.44 -0.15 1.72 2.07 0.29 0.56 114.93 120.31 1pnr h MET 111 Ca 0.12 -0.19 0.00 0.00 -2.07 0.00 0.00 59.70 57.57 1pnr h MET 111 Cb -0.03 -0.02 -0.01 0.00 -1.87 0.00 0.00 31.60 29.68 1pnr h MET 111 CO -0.02 0.71 0.10 0.00 1.07 0.00 0.00 176.91 178.76 1pnr h ALA 112 N 0.72 0.18 -0.65 6.32 0.00 -0.38 0.01 119.26 125.46 1pnr h ALA 112 Ca 0.05 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.01 1pnr h ALA 112 Cb 0.57 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.25 1pnr h ALA 112 CO 0.03 -0.33 0.35 1.96 0.00 0.00 0.00 179.25 181.26 1pnr h GLN 113 N 0.20 0.63 0.00 0.00 4.20 -1.17 2.82 115.11 121.79 1pnr h GLN 113 Ca 0.05 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.73 1pnr h GLN 113 Cb -0.02 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.62 1pnr h GLN 113 CO -0.01 0.41 0.00 1.63 -0.67 0.00 0.00 178.83 180.19 1pnr n LYS 114 N -4.81 0.39 -3.31 1.46 5.02 0.18 -4.88 118.16 112.21 1pnr n LYS 114 Ca 0.08 0.07 -0.16 0.00 -2.02 0.00 0.00 58.31 56.28 1pnr n LYS 114 Cb 0.18 -1.50 0.07 0.00 -0.02 0.00 0.00 35.03 33.76 1pnr n LYS 114 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1pnr n ARG 115 N -1.19 -3.44 -2.19 1.97 5.12 0.94 -4.95 116.66 112.92 1pnr n ARG 115 Ca 0.11 0.85 -0.37 0.00 -1.93 0.00 0.00 57.85 56.51 1pnr n ARG 115 Cb 0.13 -5.81 -0.00 0.00 -1.16 0.00 0.00 32.46 25.62 1pnr n ARG 115 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 1pnr s VAL 116 N -3.39 2.95 0.22 1.55 -7.23 -1.12 -4.29 120.40 109.10 1pnr s VAL 116 Ca 0.33 0.73 0.35 0.00 -1.81 0.00 0.00 61.98 61.59 1pnr s VAL 116 Cb -0.05 -3.38 0.40 0.00 0.56 0.00 0.00 36.38 33.91 1pnr s VAL 116 CO 0.74 0.00 2.06 0.44 -0.31 0.00 0.00 175.10 178.03 1pnr h ASP 117 N 2.06 0.00 -5.11 4.85 3.32 -1.46 -3.46 116.42 116.63 1pnr h ASP 117 Ca -0.49 0.00 0.20 0.00 0.02 0.00 0.00 57.03 56.76 1pnr h ASP 117 Cb 1.25 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 40.68 1pnr h ASP 117 CO 0.60 0.01 0.60 -0.83 -1.72 0.00 0.00 179.24 177.90 1pnr s GLY 118 N -4.18 -0.34 -0.10 2.75 0.00 -1.26 -4.45 107.32 99.75 1pnr s GLY 118 Ca -0.00 0.66 0.00 0.00 0.00 0.00 0.00 44.72 45.38 1pnr s GLY 118 CO 0.52 0.18 -0.07 -2.27 0.00 0.00 0.00 173.10 171.46 1pnr s LEU 119 N -2.74 1.20 -0.18 0.66 2.96 0.13 -2.33 118.68 118.38 1pnr s LEU 119 Ca 0.10 -0.27 -0.20 0.00 -0.22 0.00 0.00 54.13 53.55 1pnr s LEU 119 Cb 0.00 -0.77 -0.03 0.00 0.50 0.00 0.00 46.19 45.89 1pnr s LEU 119 CO -0.03 -0.10 0.56 -0.76 -1.32 0.00 0.00 176.35 174.71 1pnr s LEU 120 N 1.51 4.17 -0.23 -0.68 2.01 0.10 -1.22 118.68 124.33 1pnr s LEU 120 Ca 0.01 0.78 -0.04 0.00 0.01 0.00 0.00 54.13 54.88 1pnr s LEU 120 Cb -0.13 -2.79 -0.01 0.00 0.01 0.00 0.00 46.19 43.27 1pnr s LEU 120 CO -0.05 -0.19 -0.02 -0.69 1.01 0.00 0.00 176.35 176.41 1pnr s VAL 121 N 1.58 3.54 -0.52 -1.59 1.01 0.91 -0.59 120.40 124.74 1pnr s VAL 121 Ca 0.27 -0.47 0.05 0.00 0.00 0.00 0.00 61.98 61.83 1pnr s VAL 121 Cb -0.16 -2.64 0.20 0.00 0.00 0.00 0.00 36.38 33.78 1pnr s VAL 121 CO 0.10 0.38 0.48 0.80 0.00 0.00 0.00 175.10 176.86 1pnr n MET 122 N 4.82 1.09 0.00 2.72 1.56 -0.64 -1.39 117.12 125.27 1pnr n MET 122 Ca -0.18 -3.77 0.12 0.00 -0.27 0.00 0.00 57.70 53.60 1pnr n MET 122 Cb 0.51 -1.84 0.14 0.00 2.15 0.00 0.00 33.22 34.18 1pnr n MET 122 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1pnr n SER 124 N 0.09 0.00 -4.59 0.00 7.64 -1.26 -4.72 113.62 110.78 1pnr n SER 124 Ca 0.11 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.65 1pnr n SER 124 Cb 0.46 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.55 1pnr n SER 124 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1pnr s GLU 125 N 0.00 3.13 -0.61 1.43 2.02 -1.26 -4.54 118.70 118.87 1pnr s GLU 125 Ca 0.00 -0.49 0.04 0.00 0.02 0.00 0.00 54.97 54.55 1pnr s GLU 125 Cb 0.00 -2.77 0.15 0.00 0.10 0.00 0.00 34.13 31.61 1pnr s GLU 125 CO 0.00 0.54 0.38 0.71 0.02 0.00 0.00 175.26 176.92 1pnr s TYR 126 N -0.46 3.25 0.91 1.61 1.51 -1.26 -5.02 117.35 117.88 1pnr s TYR 126 Ca 0.08 -3.19 -0.13 0.00 -1.01 0.00 0.00 57.07 52.82 1pnr s TYR 126 Cb -0.12 -2.65 0.14 0.00 -0.11 0.00 0.00 41.96 39.22 1pnr s TYR 126 CO 0.02 -0.64 1.15 -1.25 -1.11 0.00 0.00 175.55 173.72 1pnr s PRO 127 N -0.86 1.12 0.17 -1.71 0.04 -1.26 -4.71 135.00 127.80 1pnr s PRO 127 Ca 0.22 0.24 -0.14 0.00 0.04 0.00 0.00 61.00 61.35 1pnr s PRO 127 Cb -0.14 -1.84 0.11 0.00 0.04 0.00 0.00 34.50 32.67 1pnr s PRO 127 CO -0.09 -2.20 1.76 1.49 0.04 0.00 0.00 177.00 178.00 1pnr h GLU 128 N -1.50 0.35 -0.98 4.56 4.22 -1.99 0.26 114.58 119.50 1pnr h GLU 128 Ca -0.50 -0.02 0.21 0.00 0.08 0.00 0.00 59.36 59.13 1pnr h GLU 128 Cb 1.33 -0.08 -0.09 0.00 0.50 0.00 0.00 28.75 30.41 1pnr h GLU 128 CO 0.61 0.23 0.62 -1.35 -2.18 0.00 0.00 179.01 176.93 1pnr h PRO 129 N 0.36 0.58 0.10 0.92 0.11 -1.99 0.29 132.00 132.36 1pnr h PRO 129 Ca 0.20 -0.03 -0.28 0.00 0.11 0.00 0.00 66.00 66.00 1pnr h PRO 129 Cb 0.17 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.14 1pnr h PRO 129 CO -0.18 0.38 -1.33 1.25 -0.21 0.00 0.00 178.00 177.91 1pnr h LEU 130 N 0.59 0.32 -1.45 2.35 6.46 -1.24 -2.74 115.31 119.61 1pnr h LEU 130 Ca 0.54 -0.38 0.01 0.00 -0.12 0.00 0.00 57.88 57.93 1pnr h LEU 130 Cb 1.08 -0.10 -0.03 0.00 -0.73 0.00 0.00 40.66 40.87 1pnr h LEU 130 CO -0.30 1.31 0.38 -0.07 -0.62 0.00 0.00 178.44 179.14 1pnr h LEU 131 N 0.06 0.64 -0.20 2.25 4.07 0.15 -1.68 115.31 120.60 1pnr h LEU 131 Ca -0.16 -0.01 0.01 0.00 0.08 0.00 0.00 57.88 57.79 1pnr h LEU 131 Cb 1.96 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 43.52 1pnr h LEU 131 CO 0.17 0.46 0.10 0.00 -1.08 0.00 0.00 178.44 178.09 1pnr h ALA 132 N 1.65 0.24 -0.58 1.53 0.00 -0.42 -0.68 119.26 120.98 1pnr h ALA 132 Ca 0.22 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.02 1pnr h ALA 132 Cb -0.05 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1pnr h ALA 132 CO -0.05 -0.31 -0.04 0.52 0.00 0.00 0.00 179.25 179.37 1pnr h MET 133 N 0.22 1.06 -0.81 0.00 2.86 -1.17 -2.56 114.93 114.54 1pnr h MET 133 Ca 0.08 -0.36 0.10 0.00 -2.06 0.00 0.00 59.70 57.46 1pnr h MET 133 Cb 0.01 -0.09 -0.08 0.00 0.06 0.00 0.00 31.60 31.51 1pnr h MET 133 CO -0.05 1.06 0.44 -0.07 1.06 0.00 0.00 176.91 179.36 1pnr h LEU 134 N 0.95 0.62 0.00 1.22 3.38 -0.96 0.20 115.31 120.73 1pnr h LEU 134 Ca 0.16 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1pnr h LEU 134 Cb 0.60 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1pnr h LEU 134 CO 0.04 0.34 0.00 1.21 0.09 0.00 0.00 178.44 180.12 1pnr n GLU 135 N -4.78 0.24 0.00 1.13 2.13 -0.29 -1.69 120.64 117.37 1pnr n GLU 135 Ca 0.13 0.09 0.14 0.00 0.66 0.00 0.00 57.16 58.19 1pnr n GLU 135 Cb 0.30 -1.50 0.66 0.00 0.27 0.00 0.00 31.44 31.17 1pnr n GLU 135 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1pnr n GLU 136 N -1.34 0.56 -0.19 5.31 1.02 0.71 -2.74 120.64 123.98 1pnr n GLU 136 Ca 0.09 -0.13 0.06 0.00 -0.02 0.00 0.00 57.16 57.16 1pnr n GLU 136 Cb 0.19 -1.50 0.15 0.00 -0.02 0.00 0.00 31.44 30.26 1pnr n GLU 136 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1pnr n TYR 137 N -1.11 0.43 -0.14 -0.32 4.02 -0.68 -4.65 117.16 114.72 1pnr n TYR 137 Ca 0.14 -0.64 0.27 0.00 -0.01 0.00 0.00 57.90 57.65 1pnr n TYR 137 Cb 0.26 -0.11 0.55 0.00 -0.02 0.00 0.00 39.34 40.02 1pnr n TYR 137 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 176.86 175.92 1pnr h ARG 138 N 1.33 0.00 0.00 -0.72 0.11 -1.54 1.82 114.38 115.38 1pnr h ARG 138 Ca 0.00 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.04 1pnr h ARG 138 Cb 0.88 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.96 1pnr h ARG 138 CO 0.05 0.00 -0.19 1.12 0.10 0.00 0.00 179.97 181.05 1pnr h HIS 139 N 0.00 0.00 -3.37 4.08 2.07 -1.87 -3.39 115.15 112.67 1pnr h HIS 139 Ca 0.42 0.00 -0.57 0.00 -2.85 0.00 0.00 60.37 57.36 1pnr h HIS 139 Cb 2.39 0.00 -0.07 0.00 2.57 0.00 0.00 27.41 32.30 1pnr h HIS 139 CO 0.00 0.19 0.08 -1.50 -3.07 0.00 0.00 177.93 173.63 1pnr s ILE 140 N -3.46 5.05 0.34 6.12 1.10 0.62 -4.98 121.20 126.00 1pnr s ILE 140 Ca 0.02 1.29 -0.29 0.00 -0.51 0.00 0.00 60.65 61.17 1pnr s ILE 140 Cb 0.09 -3.98 -0.12 0.00 0.15 0.00 0.00 42.46 38.60 1pnr s ILE 140 CO 0.64 0.20 1.44 -0.81 -2.11 0.00 0.00 174.94 174.31 1pnr n PRO 141 N 4.28 2.47 -3.62 3.50 -0.04 -1.26 -4.80 135.00 135.53 1pnr n PRO 141 Ca -0.02 0.87 -0.14 0.00 -0.04 0.00 0.00 63.50 64.17 1pnr n PRO 141 Cb 0.51 -2.56 -0.06 0.00 -0.04 0.00 0.00 33.50 31.34 1pnr n PRO 141 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pnr s MET 142 N -1.63 0.93 -0.05 0.54 0.23 -1.26 0.20 119.30 118.26 1pnr s MET 142 Ca 0.57 -0.15 0.03 0.00 -1.03 0.00 0.00 55.69 55.11 1pnr s MET 142 Cb -0.52 0.43 0.00 0.00 -1.53 0.00 0.00 34.83 33.21 1pnr s MET 142 CO 0.60 -0.31 -0.14 0.54 -2.03 0.00 0.00 175.02 173.67 1pnr s VAL 143 N -1.94 1.25 -0.29 5.16 0.11 -0.36 -1.90 120.40 122.42 1pnr s VAL 143 Ca -0.08 -0.59 -0.18 0.00 -2.93 0.00 0.00 61.98 58.20 1pnr s VAL 143 Cb -0.02 -1.10 -0.02 0.00 -1.53 0.00 0.00 36.38 33.72 1pnr s VAL 143 CO 0.02 0.37 0.52 0.68 -3.33 0.00 0.00 175.10 173.36 1pnr s VAL 144 N 0.29 5.04 -2.11 2.04 -7.23 -0.05 -0.06 120.40 118.32 1pnr s VAL 144 Ca -0.08 0.69 0.15 0.00 -1.81 0.00 0.00 61.98 60.93 1pnr s VAL 144 Cb -0.13 -3.88 0.36 0.00 0.56 0.00 0.00 36.38 33.30 1pnr s VAL 144 CO 0.03 -0.03 1.41 1.15 -0.31 0.00 0.00 175.10 177.35 1pnr n MET 145 N 5.63 1.55 -2.81 4.82 0.00 -0.49 -2.52 117.12 123.31 1pnr n MET 145 Ca -0.04 -0.84 -0.00 0.00 0.00 0.00 0.00 57.70 56.81 1pnr n MET 145 Cb 0.49 -1.29 0.06 0.00 0.00 0.00 0.00 33.22 32.49 1pnr n MET 145 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 175.97 175.57 1pnr n ASP 146 N 0.11 1.04 -4.84 3.17 5.68 -1.26 -4.82 116.55 115.63 1pnr n ASP 146 Ca 0.12 -2.05 -0.21 0.00 -0.50 0.00 0.00 54.79 52.14 1pnr n ASP 146 Cb 0.24 -0.27 -0.04 0.00 -1.14 0.00 0.00 41.12 39.90 1pnr n ASP 146 CO 0.00 0.00 0.00 0.26 -1.33 0.00 0.00 177.20 176.13 1pnr s TRP 147 N -3.11 2.74 -0.14 2.11 0.51 -1.26 -4.64 118.94 115.15 1pnr s TRP 147 Ca 0.24 -0.45 -0.03 0.00 -2.12 0.00 0.00 56.10 53.74 1pnr s TRP 147 Cb 0.34 -2.01 -0.24 0.00 -0.81 0.00 0.00 33.47 30.75 1pnr s TRP 147 CO -0.06 0.03 0.26 0.41 -0.51 0.00 0.00 176.95 177.08 1pnr n GLY 148 N -1.43 -0.56 3.09 0.98 0.00 -1.26 -4.22 105.19 101.79 1pnr n GLY 148 Ca 0.01 -0.24 -0.27 0.00 0.00 0.00 0.00 46.02 45.52 1pnr n GLY 148 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1pnr n GLU 149 N -3.38 0.91 -3.26 1.61 0.00 -1.26 -4.70 120.64 110.55 1pnr n GLU 149 Ca -0.34 -3.15 -0.46 0.00 0.00 0.00 0.00 57.16 53.21 1pnr n GLU 149 Cb 1.04 0.95 -0.03 0.00 0.00 0.00 0.00 31.44 33.39 1pnr n GLU 149 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1pnr s ALA 150 N -2.78 3.80 0.58 -1.84 0.00 -1.26 -4.92 121.76 115.34 1pnr s ALA 150 Ca 0.02 -2.88 0.27 0.00 0.00 0.00 0.00 51.96 49.38 1pnr s ALA 150 Cb 0.00 -3.48 1.63 0.00 0.00 0.00 0.00 23.12 21.27 1pnr s ALA 150 CO 0.02 -2.26 2.13 0.87 0.00 0.00 0.00 175.76 176.52 1pnr h LYS 151 N 8.41 0.00 -4.21 0.00 6.56 -1.98 -3.45 116.57 121.90 1pnr h LYS 151 Ca -0.08 0.00 -0.16 0.00 -1.06 0.00 0.00 60.65 59.35 1pnr h LYS 151 Cb 1.07 0.00 -0.13 0.00 -0.57 0.00 0.00 32.23 32.59 1pnr h LYS 151 CO 0.92 0.00 -0.44 0.00 -2.06 0.00 0.00 179.45 177.87 1pnr s ALA 152 N -4.72 0.57 -0.57 3.86 0.00 -1.26 -5.03 121.76 114.61 1pnr s ALA 152 Ca -0.05 -1.32 0.22 0.00 0.00 0.00 0.00 51.96 50.81 1pnr s ALA 152 Cb 0.16 1.15 -0.15 0.00 0.00 0.00 0.00 23.12 24.28 1pnr s ALA 152 CO 0.58 -0.65 0.83 -0.40 0.00 0.00 0.00 175.76 176.12 1pnr n ASP 153 N -0.27 0.57 -2.13 0.00 5.75 -1.26 -4.36 116.55 114.85 1pnr n ASP 153 Ca -0.01 -0.41 -0.25 0.00 -0.01 0.00 0.00 54.79 54.11 1pnr n ASP 153 Cb 0.64 1.19 0.12 0.00 -1.03 0.00 0.00 41.12 42.04 1pnr n ASP 153 CO 0.00 0.00 0.00 2.22 -0.11 0.00 0.00 177.20 179.31 1pnr n PHE 154 N -1.90 2.72 -3.65 2.11 -1.74 -1.26 -4.54 117.46 109.20 1pnr n PHE 154 Ca 0.01 -2.13 -0.08 0.00 -0.56 0.00 0.00 57.45 54.69 1pnr n PHE 154 Cb 0.44 -1.06 -0.02 0.00 1.52 0.00 0.00 39.48 40.37 1pnr n PHE 154 CO 0.00 0.00 0.00 0.99 -0.56 0.00 0.00 176.76 177.19 1pnr s THR 155 N -3.41 0.00 0.39 1.97 2.01 -1.26 -4.81 115.64 110.52 1pnr s THR 155 Ca 0.52 -0.47 -0.05 0.00 0.31 0.00 0.00 61.69 62.00 1pnr s THR 155 Cb 0.43 -1.55 -0.05 0.00 0.01 0.00 0.00 72.50 71.34 1pnr s THR 155 CO 0.05 0.00 0.67 -1.81 -0.69 0.00 0.00 174.62 172.84 1pnr s ASP 156 N -2.80 6.37 -0.04 3.53 1.01 -0.80 -3.97 116.67 119.98 1pnr s ASP 156 Ca 0.08 0.82 -0.01 0.00 0.71 0.00 0.00 52.55 54.14 1pnr s ASP 156 Cb -0.03 -2.19 0.03 0.00 1.01 0.00 0.00 42.92 41.74 1pnr s ASP 156 CO -0.02 -0.38 0.08 0.00 0.21 0.00 0.00 175.17 175.05 1pnr s ALA 157 N -2.40 -0.07 -0.17 5.23 0.00 0.16 -0.87 121.76 123.64 1pnr s ALA 157 Ca 0.46 0.43 -0.06 0.00 0.00 0.00 0.00 51.96 52.79 1pnr s ALA 157 Cb -0.10 -0.31 -0.03 0.00 0.00 0.00 0.00 23.12 22.67 1pnr s ALA 157 CO 0.36 -0.12 0.02 0.54 0.00 0.00 0.00 175.76 176.56 1pnr s VAL 158 N 1.01 4.40 -0.16 0.00 0.11 -1.05 0.34 120.40 125.05 1pnr s VAL 158 Ca -0.08 -0.18 -0.01 0.00 -2.93 0.00 0.00 61.98 58.78 1pnr s VAL 158 Cb -0.11 -2.95 -0.01 0.00 -1.53 0.00 0.00 36.38 31.78 1pnr s VAL 158 CO -0.04 0.48 -0.12 0.27 -3.33 0.00 0.00 175.10 172.37 1pnr s ILE 159 N 0.29 3.00 -1.23 7.04 -5.25 0.16 -4.11 121.20 121.10 1pnr s ILE 159 Ca 0.00 -0.66 0.28 0.00 -0.99 0.00 0.00 60.65 59.28 1pnr s ILE 159 Cb -0.13 -2.28 0.25 0.00 2.95 0.00 0.00 42.46 43.25 1pnr s ILE 159 CO 0.01 0.50 1.77 -0.90 -1.79 0.00 0.00 174.94 174.53 1pnr n ASP 160 N 3.96 0.30 -3.58 4.36 5.68 -1.26 0.02 116.55 126.03 1pnr n ASP 160 Ca -0.18 -0.08 -0.23 0.00 -0.50 0.00 0.00 54.79 53.79 1pnr n ASP 160 Cb 0.52 -0.14 0.08 0.00 -1.14 0.00 0.00 41.12 40.44 1pnr n ASP 160 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1pnr n ASN 161 N -1.31 -5.78 0.28 -1.12 3.02 -1.26 -4.20 115.26 104.88 1pnr n ASN 161 Ca 0.09 -0.55 0.14 0.00 -0.03 0.00 0.00 54.58 54.23 1pnr n ASN 161 Cb 0.32 -5.05 0.80 0.00 -0.61 0.00 0.00 39.78 35.24 1pnr n ASN 161 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1pnr h ALA 162 N 1.00 1.32 -0.03 5.41 0.00 -1.92 -2.47 119.26 122.57 1pnr h ALA 162 Ca -0.57 -0.07 -0.18 0.00 0.00 0.00 0.00 54.91 54.09 1pnr h ALA 162 Cb 1.37 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.16 1pnr h ALA 162 CO 0.55 0.10 -0.69 0.35 0.00 0.00 0.00 179.25 179.56 1pnr h PHE 163 N 0.00 0.75 0.00 0.00 3.04 -1.88 -1.64 116.94 117.21 1pnr h PHE 163 Ca -0.00 -0.39 0.00 0.00 3.98 0.00 0.00 57.97 61.56 1pnr h PHE 163 Cb 0.24 -0.09 0.00 0.00 2.56 0.00 0.00 35.95 38.65 1pnr h PHE 163 CO 0.00 1.20 0.00 -0.85 -2.02 0.00 0.00 178.31 176.64 1pnr n GLU 164 N -4.13 0.25 -0.09 1.11 0.28 -0.96 -1.61 120.64 115.50 1pnr n GLU 164 Ca -0.10 0.12 -0.19 0.00 -0.16 0.00 0.00 57.16 56.83 1pnr n GLU 164 Cb 0.71 -1.50 -0.12 0.00 1.43 0.00 0.00 31.44 31.96 1pnr n GLU 164 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 1pnr h GLY 165 N 2.91 0.00 -0.15 -1.84 0.00 -1.16 -2.78 103.07 100.05 1pnr h GLY 165 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 47.33 47.42 1pnr h GLY 165 CO 0.00 0.00 -0.25 -1.33 0.00 0.00 0.00 176.54 174.96 1pnr h GLY 166 N -1.00 0.03 1.00 4.60 0.00 -0.66 -1.31 103.07 105.74 1pnr h GLY 166 Ca -0.23 0.32 -0.00 0.00 0.00 0.00 0.00 47.33 47.42 1pnr h GLY 166 CO -0.14 -0.21 0.41 -1.82 0.00 0.00 0.00 176.54 174.78 1pnr h TYR 167 N -0.15 0.85 0.05 5.60 3.20 -0.30 -1.90 116.97 124.33 1pnr h TYR 167 Ca 0.21 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.09 1pnr h TYR 167 Cb 0.49 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.47 1pnr h TYR 167 CO -0.51 0.56 -0.05 0.52 -1.64 0.00 0.00 178.16 177.05 1pnr h MET 168 N 0.89 -0.11 -0.16 1.82 2.86 -1.01 -1.57 114.93 117.65 1pnr h MET 168 Ca 0.24 0.01 0.05 0.00 -2.06 0.00 0.00 59.70 57.94 1pnr h MET 168 Cb -0.05 0.02 -0.06 0.00 0.06 0.00 0.00 31.60 31.57 1pnr h MET 168 CO -0.05 -0.07 -0.27 0.00 1.06 0.00 0.00 176.91 177.58 1pnr h ALA 169 N 0.84 -0.25 -0.07 6.32 0.00 -0.75 -0.56 119.26 124.79 1pnr h ALA 169 Ca 0.00 0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.98 1pnr h ALA 169 Cb 0.11 0.53 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 1pnr h ALA 169 CO -0.02 -0.73 -0.10 0.78 0.00 0.00 0.00 179.25 179.19 1pnr h GLY 170 N -0.32 -0.05 0.09 0.00 0.00 -1.25 -1.54 103.07 99.99 1pnr h GLY 170 Ca 0.11 0.12 0.23 0.00 0.00 0.00 0.00 47.33 47.79 1pnr h GLY 170 CO -0.34 -0.11 0.64 3.21 0.00 0.00 0.00 176.54 179.94 1pnr h ARG 171 N -0.13 0.42 0.16 4.80 2.47 -0.61 0.68 114.38 122.17 1pnr h ARG 171 Ca 0.06 -0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 58.75 1pnr h ARG 171 Cb 0.22 -0.09 0.00 0.00 -1.65 0.00 0.00 29.97 28.45 1pnr h ARG 171 CO -0.15 0.28 -0.08 -0.92 0.56 0.00 0.00 179.97 179.66 1pnr h TYR 172 N 0.43 -0.20 -0.69 3.04 3.20 -0.10 -1.87 116.97 120.79 1pnr h TYR 172 Ca 0.53 -0.00 0.13 0.00 3.14 0.00 0.00 58.73 62.53 1pnr h TYR 172 Cb 1.31 0.07 -0.09 0.00 1.54 0.00 0.00 36.73 39.55 1pnr h TYR 172 CO -0.00 0.15 0.21 -0.07 -1.64 0.00 0.00 178.16 176.81 1pnr h LEU 173 N -0.57 0.13 -0.30 2.82 3.38 -0.72 -0.60 115.31 119.45 1pnr h LEU 173 Ca -0.02 0.11 0.03 0.00 0.09 0.00 0.00 57.88 58.09 1pnr h LEU 173 Cb 0.43 0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 1pnr h LEU 173 CO 0.04 0.05 0.13 0.40 0.09 0.00 0.00 178.44 179.14 1pnr h ILE 174 N 0.35 0.96 0.00 1.22 2.04 -0.76 -0.82 117.51 120.49 1pnr h ILE 174 Ca 0.37 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 66.14 1pnr h ILE 174 Cb 0.57 0.65 0.00 0.00 -0.74 0.00 0.00 36.82 37.30 1pnr h ILE 174 CO -0.42 0.05 0.00 -0.62 0.00 0.00 0.00 178.15 177.16 1pnr n GLU 175 N -4.99 0.32 -0.04 2.37 1.02 -0.72 -2.31 120.64 116.29 1pnr n GLU 175 Ca -0.00 0.09 0.12 0.00 -0.02 0.00 0.00 57.16 57.34 1pnr n GLU 175 Cb 0.09 -1.50 0.12 0.00 -0.02 0.00 0.00 31.44 30.13 1pnr n GLU 175 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1pnr n ARG 176 N -1.25 2.34 0.00 3.49 5.12 -0.30 -4.92 116.66 121.14 1pnr n ARG 176 Ca 0.10 -1.99 0.00 0.00 -1.93 0.00 0.00 57.85 54.03 1pnr n ARG 176 Cb 0.14 -1.47 0.00 0.00 -1.16 0.00 0.00 32.46 29.98 1pnr n ARG 176 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1pnr n GLY 177 N 1.37 0.87 3.74 -0.13 0.00 -0.98 0.22 105.19 110.29 1pnr n GLY 177 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 1pnr n GLY 177 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1pnr s HIS 178 N -2.00 3.81 0.00 1.61 3.76 -1.04 0.12 115.29 121.54 1pnr s HIS 178 Ca 0.00 1.72 0.00 0.00 -0.15 0.00 0.00 55.06 56.63 1pnr s HIS 178 Cb 0.00 -2.97 0.00 0.00 1.11 0.00 0.00 32.58 30.72 1pnr s HIS 178 CO 0.00 0.26 0.00 0.54 -0.85 0.00 0.00 174.74 174.69 1pnr n ARG 179 N 2.62 3.76 -3.79 1.40 1.74 -1.26 -4.25 116.66 116.87 1pnr n ARG 179 Ca 0.00 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.74 1pnr n ARG 179 Cb 0.49 -0.42 -0.11 0.00 -1.02 0.00 0.00 32.46 31.40 1pnr n ARG 179 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1pnr s GLU 180 N -0.28 2.49 -0.06 5.56 2.02 -1.26 -4.82 118.70 122.34 1pnr s GLU 180 Ca 0.00 -2.73 0.00 0.00 0.02 0.00 0.00 54.97 52.26 1pnr s GLU 180 Cb 0.00 -3.62 -0.03 0.00 0.10 0.00 0.00 34.13 30.58 1pnr s GLU 180 CO 0.00 -1.18 -0.05 0.42 0.02 0.00 0.00 175.26 174.47 1pnr s ILE 181 N -0.43 3.86 0.47 -1.63 1.01 -1.26 0.17 121.20 123.40 1pnr s ILE 181 Ca 0.19 -0.45 0.04 0.00 0.00 0.00 0.00 60.65 60.43 1pnr s ILE 181 Cb -0.19 -2.60 -0.03 0.00 0.01 0.00 0.00 42.46 39.65 1pnr s ILE 181 CO -0.05 0.58 0.05 -0.83 0.00 0.00 0.00 174.94 174.69 1pnr s GLY 182 N -0.91 2.76 -0.22 6.18 0.00 0.66 -4.88 107.32 110.92 1pnr s GLY 182 Ca 0.13 -1.21 -0.17 0.00 0.00 0.00 0.00 44.72 43.48 1pnr s GLY 182 CO 0.02 -2.13 0.56 0.54 0.00 0.00 0.00 173.10 172.10 1pnr s VAL 183 N -2.79 -0.01 -0.46 1.40 0.11 -0.43 -0.87 120.40 117.35 1pnr s VAL 183 Ca 0.20 0.02 0.02 0.00 -2.93 0.00 0.00 61.98 59.29 1pnr s VAL 183 Cb 0.04 -0.79 0.12 0.00 -1.53 0.00 0.00 36.38 34.22 1pnr s VAL 183 CO 0.11 0.01 0.22 -0.63 -3.33 0.00 0.00 175.10 171.47 1pnr s ILE 184 N 0.78 2.79 0.76 7.04 1.01 -0.56 -1.01 121.20 132.01 1pnr s ILE 184 Ca -0.04 -2.77 -0.10 0.00 0.00 0.00 0.00 60.65 57.74 1pnr s ILE 184 Cb -0.05 -2.94 0.06 0.00 0.01 0.00 0.00 42.46 39.55 1pnr s ILE 184 CO -0.06 -0.73 1.12 -2.16 0.00 0.00 0.00 174.94 173.10 1pnr s PRO 185 N 0.34 2.17 0.23 2.79 0.04 -1.24 -1.22 135.00 138.11 1pnr s PRO 185 Ca 0.14 0.06 0.01 0.00 0.04 0.00 0.00 61.00 61.25 1pnr s PRO 185 Cb -0.22 -2.03 0.04 0.00 0.04 0.00 0.00 34.50 32.33 1pnr s PRO 185 CO -0.04 -1.40 0.31 0.41 0.04 0.00 0.00 177.00 176.32 1pnr n GLY 186 N -3.15 1.01 3.64 0.56 0.00 -1.26 0.38 105.19 106.37 1pnr n GLY 186 Ca 0.08 -2.02 -0.56 0.00 0.00 0.00 0.00 46.02 43.51 1pnr n GLY 186 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1pnr n PRO 187 N -1.56 0.95 0.00 1.61 -0.02 -1.16 -4.49 135.00 130.33 1pnr n PRO 187 Ca 0.05 0.35 0.09 0.00 -2.02 0.00 0.00 63.50 61.97 1pnr n PRO 187 Cb 0.19 -1.98 0.47 0.00 -0.02 0.00 0.00 33.50 32.16 1pnr n PRO 187 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1pnr n LEU 188 N 3.68 0.00 -0.50 2.45 4.77 -1.26 -2.13 117.00 124.01 1pnr n LEU 188 Ca 0.23 0.25 0.14 0.00 -0.03 0.00 0.00 56.01 56.59 1pnr n LEU 188 Cb 0.14 -0.25 0.46 0.00 -2.33 0.00 0.00 43.42 41.44 1pnr n LEU 188 CO 0.72 -0.10 0.82 -0.62 -1.33 0.00 0.00 177.39 176.88 1pnr n GLU 189 N -1.25 1.64 -4.24 3.23 4.71 -1.26 -4.31 120.64 119.16 1pnr n GLU 189 Ca 0.09 -1.01 -0.30 0.00 -0.01 0.00 0.00 57.16 55.93 1pnr n GLU 189 Cb 0.13 -1.48 -0.10 0.00 -1.01 0.00 0.00 31.44 28.99 1pnr n GLU 189 CO 0.00 0.00 0.00 1.03 0.09 0.00 0.00 177.13 178.25 1pnr s ARG 190 N -2.06 2.21 0.04 3.49 0.52 -0.90 -4.45 118.95 117.80 1pnr s ARG 190 Ca 0.35 -0.98 -0.25 0.00 -0.52 0.00 0.00 55.73 54.34 1pnr s ARG 190 Cb 0.21 -2.35 -0.17 0.00 0.52 0.00 0.00 34.95 33.16 1pnr s ARG 190 CO 0.35 0.52 1.52 -0.97 0.02 0.00 0.00 175.30 176.74 1pnr h ASN 191 N 3.67 -0.12 0.17 0.23 -1.24 -1.82 -0.09 115.58 116.38 1pnr h ASN 191 Ca -0.49 -0.16 0.00 0.00 0.71 0.00 0.00 56.30 56.36 1pnr h ASN 191 Cb 1.17 0.03 0.00 0.00 0.73 0.00 0.00 38.32 40.25 1pnr h ASN 191 CO 0.53 0.09 0.00 0.35 -1.29 0.00 0.00 177.43 177.11 1pnr n THR 192 N -5.06 1.42 0.00 -3.57 -2.24 -1.26 0.73 114.28 104.29 1pnr n THR 192 Ca -0.08 0.49 0.00 0.00 -2.27 0.00 0.00 64.05 62.19 1pnr n THR 192 Cb 0.16 -1.44 0.00 0.00 -2.10 0.00 0.00 70.33 66.95 1pnr n THR 192 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pnr n GLY 193 N -1.01 0.51 0.23 3.38 0.00 -0.61 -4.21 105.19 103.49 1pnr n GLY 193 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 1pnr n GLY 193 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pnr h ALA 194 N -2.00 0.33 -0.05 4.61 0.00 -1.04 -2.59 119.26 118.52 1pnr h ALA 194 Ca 0.00 0.21 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 1pnr h ALA 194 Cb 0.00 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1pnr h ALA 194 CO 0.00 -0.46 -0.23 0.78 0.00 0.00 0.00 179.25 179.34 1pnr h GLY 195 N -0.02 0.09 1.30 0.00 0.00 0.14 -1.34 103.07 103.24 1pnr h GLY 195 Ca 0.27 -0.06 -0.21 0.00 0.00 0.00 0.00 47.33 47.32 1pnr h GLY 195 CO -0.59 0.06 -0.77 3.21 0.00 0.00 0.00 176.54 178.46 1pnr h ARG 196 N 0.08 0.69 -0.55 4.80 3.08 -1.44 -2.81 114.38 118.23 1pnr h ARG 196 Ca 0.01 -0.56 0.03 0.00 0.07 0.00 0.00 59.98 59.53 1pnr h ARG 196 Cb 0.46 0.12 -0.04 0.00 0.08 0.00 0.00 29.97 30.59 1pnr h ARG 196 CO 0.03 1.18 0.33 1.25 -1.07 0.00 0.00 179.97 181.68 1pnr h LEU 197 N 0.47 0.52 -0.71 3.04 5.85 -1.35 -1.55 115.31 121.58 1pnr h LEU 197 Ca -0.05 0.01 -0.13 0.00 0.84 0.00 0.00 57.88 58.55 1pnr h LEU 197 Cb 1.38 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.30 1pnr h LEU 197 CO 0.15 0.37 -0.45 0.00 -0.34 0.00 0.00 178.44 178.16 1pnr h ALA 198 N 1.25 0.89 -0.50 1.25 0.00 -1.26 1.01 119.26 121.89 1pnr h ALA 198 Ca 0.22 -0.46 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 1pnr h ALA 198 Cb 0.03 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1pnr h ALA 198 CO -0.10 0.65 0.14 0.78 0.00 0.00 0.00 179.25 180.72 1pnr h GLY 199 N 1.15 0.81 1.00 0.00 0.00 -1.16 -1.37 103.07 103.50 1pnr h GLY 199 Ca 0.02 -0.44 -0.17 0.00 0.00 0.00 0.00 47.33 46.75 1pnr h GLY 199 CO 0.08 0.41 -0.55 -2.75 0.00 0.00 0.00 176.54 173.74 1pnr h PHE 200 N 0.73 0.86 0.00 5.60 3.57 -0.81 -1.65 116.94 125.24 1pnr h PHE 200 Ca 0.17 -0.35 -0.04 0.00 3.53 0.00 0.00 57.97 61.27 1pnr h PHE 200 Cb 0.24 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.83 1pnr h PHE 200 CO 0.01 1.15 -0.20 1.98 -2.23 0.00 0.00 178.31 179.02 1pnr h MET 201 N 0.34 0.00 -0.12 1.11 4.05 0.21 -2.91 114.93 117.60 1pnr h MET 201 Ca -0.02 0.00 -0.08 0.00 -0.28 0.00 0.00 59.70 59.31 1pnr h MET 201 Cb 1.17 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.97 1pnr h MET 201 CO 0.12 0.20 -0.25 1.57 0.23 0.00 0.00 176.91 178.78 1pnr h LYS 202 N 0.00 0.39 -0.95 0.39 2.10 -1.29 -2.43 116.57 114.78 1pnr h LYS 202 Ca -0.00 -0.25 0.16 0.00 -2.00 0.00 0.00 60.65 58.56 1pnr h LYS 202 Cb 0.48 0.03 -0.10 0.00 -0.90 0.00 0.00 32.23 31.74 1pnr h LYS 202 CO 0.03 0.85 0.56 0.00 -2.00 0.00 0.00 179.45 178.88 1pnr h ALA 203 N 0.53 1.50 0.89 0.07 0.00 -1.60 0.23 119.26 120.88 1pnr h ALA 203 Ca 0.00 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1pnr h ALA 203 Cb 0.84 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.54 1pnr h ALA 203 CO 0.05 0.01 -0.46 0.52 0.00 0.00 0.00 179.25 179.37 1pnr h MET 204 N 0.77 -1.18 -0.86 0.00 2.86 -1.30 -1.82 114.93 113.41 1pnr h MET 204 Ca 0.52 0.08 0.12 0.00 -2.06 0.00 0.00 59.70 58.36 1pnr h MET 204 Cb 0.72 0.27 -0.08 0.00 0.06 0.00 0.00 31.60 32.56 1pnr h MET 204 CO -0.35 -0.79 0.47 0.93 1.06 0.00 0.00 176.91 178.24 1pnr h GLU 205 N -1.23 0.71 -0.71 1.72 5.08 -0.92 0.26 114.58 119.49 1pnr h GLU 205 Ca -0.12 -0.04 0.14 0.00 -1.00 0.00 0.00 59.36 58.34 1pnr h GLU 205 Cb 0.95 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 30.00 1pnr h GLU 205 CO 0.18 0.47 0.48 0.93 -1.00 0.00 0.00 179.01 180.07 1pnr h GLU 206 N 0.73 0.36 -0.47 2.33 5.08 -0.32 0.26 114.58 122.55 1pnr h GLU 206 Ca 0.44 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.78 1pnr h GLU 206 Cb 0.52 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.69 1pnr h GLU 206 CO -0.31 0.24 0.00 0.00 -1.00 0.00 0.00 179.01 177.94 1pnr n ALA 207 N -2.54 2.36 -2.41 3.43 0.00 0.65 -4.94 120.51 117.07 1pnr n ALA 207 Ca 0.13 -1.10 -0.21 0.00 0.00 0.00 0.00 53.44 52.26 1pnr n ALA 207 Cb 0.52 -0.77 -0.01 0.00 0.00 0.00 0.00 19.45 19.19 1pnr n ALA 207 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1pnr n MET 208 N 1.31 -1.74 -3.76 0.00 2.81 0.93 -4.95 117.12 111.71 1pnr n MET 208 Ca 0.19 1.00 -0.35 0.00 -1.81 0.00 0.00 57.70 56.73 1pnr n MET 208 Cb 0.56 -5.65 -0.05 0.00 -0.71 0.00 0.00 33.22 27.37 1pnr n MET 208 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 1pnr s ILE 209 N -3.03 5.31 -0.07 2.02 1.01 0.03 -4.98 121.20 121.48 1pnr s ILE 209 Ca 0.01 0.18 0.05 0.00 0.00 0.00 0.00 60.65 60.89 1pnr s ILE 209 Cb -0.00 -3.56 -0.01 0.00 0.01 0.00 0.00 42.46 38.90 1pnr s ILE 209 CO 0.01 0.38 -0.23 -1.59 0.00 0.00 0.00 174.94 173.51 1pnr s LYS 210 N -1.72 2.61 -0.52 2.79 0.00 -1.26 -3.83 119.74 117.81 1pnr s LYS 210 Ca 0.27 -0.85 -0.14 0.00 0.00 0.00 0.00 55.97 55.25 1pnr s LYS 210 Cb -0.13 -2.12 0.13 0.00 0.00 0.00 0.00 37.83 35.71 1pnr s LYS 210 CO 0.16 0.29 0.46 0.54 0.00 0.00 0.00 175.35 176.79 1pnr s VAL 211 N 0.06 4.93 -0.25 1.79 0.11 -1.26 -4.94 120.40 120.83 1pnr s VAL 211 Ca -0.09 -1.57 -0.42 0.00 -2.93 0.00 0.00 61.98 56.97 1pnr s VAL 211 Cb -0.15 -4.18 -0.18 0.00 -1.53 0.00 0.00 36.38 30.35 1pnr s VAL 211 CO 0.05 -0.84 1.56 -0.81 -3.33 0.00 0.00 175.10 171.74 1pnr n PRO 212 N 5.15 0.69 0.32 1.54 -0.04 -1.26 -4.78 135.00 136.62 1pnr n PRO 212 Ca -0.12 0.25 0.18 0.00 -0.04 0.00 0.00 63.50 63.77 1pnr n PRO 212 Cb 0.40 -1.86 0.94 0.00 -0.04 0.00 0.00 33.50 32.95 1pnr n PRO 212 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 1pnr h GLU 213 N 5.67 0.00 0.00 0.54 4.11 -1.95 1.09 114.58 124.04 1pnr h GLU 213 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.97 1pnr h GLU 213 Cb 1.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.60 1pnr h GLU 213 CO 0.90 0.00 0.00 -1.13 0.07 0.00 0.00 179.01 178.85 1pnr n SER 214 N -3.05 0.00 -0.43 3.06 3.41 -1.26 -2.79 113.62 112.56 1pnr n SER 214 Ca -0.02 -1.20 0.04 0.00 -0.26 0.00 0.00 58.87 57.43 1pnr n SER 214 Cb 0.29 0.00 0.10 0.00 -0.26 0.00 0.00 64.21 64.34 1pnr n SER 214 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 1pnr n TRP 215 N -0.85 0.28 -4.06 7.33 8.01 0.37 -4.84 117.44 123.69 1pnr n TRP 215 Ca 0.15 -0.44 -0.32 0.00 -1.31 0.00 0.00 57.50 55.59 1pnr n TRP 215 Cb 0.07 -0.03 -0.16 0.00 -2.01 0.00 0.00 31.31 29.18 1pnr n TRP 215 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 177.69 177.64 1pnr s ILE 216 N -0.96 1.86 -0.09 -0.99 -4.36 -1.12 -1.31 121.20 114.24 1pnr s ILE 216 Ca 0.15 -0.95 -0.01 0.00 -0.26 0.00 0.00 60.65 59.58 1pnr s ILE 216 Cb 0.08 -1.78 0.03 0.00 1.25 0.00 0.00 42.46 42.04 1pnr s ILE 216 CO 0.11 0.39 -0.02 -0.69 0.24 0.00 0.00 174.94 174.97 1pnr s VAL 217 N 1.34 0.54 0.50 8.37 1.01 -0.18 -5.00 120.40 126.97 1pnr s VAL 217 Ca 0.02 -0.01 -0.22 0.00 0.00 0.00 0.00 61.98 61.77 1pnr s VAL 217 Cb -0.14 -0.68 -0.08 0.00 0.00 0.00 0.00 36.38 35.48 1pnr s VAL 217 CO -0.11 0.26 1.08 0.00 0.00 0.00 0.00 175.10 176.34 1pnr n GLN 218 N 5.09 1.34 -4.47 2.72 1.13 -1.26 -3.61 117.38 118.33 1pnr n GLN 218 Ca -0.08 0.49 -0.27 0.00 -1.94 0.00 0.00 57.00 55.20 1pnr n GLN 218 Cb 0.50 -2.21 -0.07 0.00 0.11 0.00 0.00 30.24 28.57 1pnr n GLN 218 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1pnr n GLY 219 N 1.10 3.32 0.92 1.08 0.00 0.16 -4.88 105.19 106.88 1pnr n GLY 219 Ca 0.10 -2.18 0.03 0.00 0.00 0.00 0.00 46.02 43.98 1pnr n GLY 219 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1pnr n ASP 220 N -1.47 0.78 0.00 1.61 5.68 -1.26 -3.00 116.55 118.89 1pnr n ASP 220 Ca -0.09 -2.26 0.00 0.00 -0.50 0.00 0.00 54.79 51.94 1pnr n ASP 220 Cb 0.62 -0.29 0.00 0.00 -1.14 0.00 0.00 41.12 40.31 1pnr n ASP 220 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 1pnr n PHE 221 N 0.01 0.00 -3.62 2.11 3.72 -1.26 -4.91 117.46 113.52 1pnr n PHE 221 Ca 0.06 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 57.08 1pnr n PHE 221 Cb 0.89 -0.29 -0.06 0.00 -0.94 0.00 0.00 39.48 39.09 1pnr n PHE 221 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 1pnr s GLU 222 N 0.00 3.80 0.46 -1.08 0.41 -1.26 -3.95 118.70 117.08 1pnr s GLU 222 Ca 0.00 0.23 0.31 0.00 -0.41 0.00 0.00 54.97 55.09 1pnr s GLU 222 Cb 0.00 -3.23 1.40 0.00 -1.78 0.00 0.00 34.13 30.52 1pnr s GLU 222 CO 0.00 0.68 1.69 -1.00 -0.49 0.00 0.00 175.26 176.13 1pnr h PRO 223 N 4.96 0.13 -0.27 0.39 0.13 -1.89 1.65 132.00 137.11 1pnr h PRO 223 Ca -0.52 -0.01 -0.09 0.00 -0.87 0.00 0.00 66.00 64.51 1pnr h PRO 223 Cb 1.22 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 1pnr h PRO 223 CO 0.62 0.09 -0.23 1.49 -0.23 0.00 0.00 178.00 179.73 1pnr h GLU 224 N 0.14 0.51 -0.14 0.86 4.57 -1.92 -1.77 114.58 116.82 1pnr h GLU 224 Ca 0.73 -0.19 -0.05 0.00 -1.18 0.00 0.00 59.36 58.67 1pnr h GLU 224 Cb 2.40 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 30.94 1pnr h GLU 224 CO -0.27 0.71 -0.16 0.66 -1.18 0.00 0.00 179.01 178.77 1pnr h SER 225 N 0.45 0.21 -0.34 1.04 4.64 0.21 -1.77 113.55 117.99 1pnr h SER 225 Ca 0.07 -0.05 -0.09 0.00 -0.47 0.00 0.00 61.79 61.25 1pnr h SER 225 Cb 0.65 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.68 1pnr h SER 225 CO 0.05 0.40 -0.13 1.23 -0.87 0.00 0.00 176.83 177.51 1pnr h GLY 226 N 0.78 0.75 0.09 -0.77 0.00 -1.20 -2.53 103.07 100.19 1pnr h GLY 226 Ca 0.04 -0.65 0.01 0.00 0.00 0.00 0.00 47.33 46.73 1pnr h GLY 226 CO 0.03 0.59 -0.35 -1.82 0.00 0.00 0.00 176.54 174.99 1pnr h TYR 227 N 0.47 -1.00 -0.96 5.60 3.20 -0.50 -1.72 116.97 122.06 1pnr h TYR 227 Ca 0.08 0.03 0.12 0.00 3.14 0.00 0.00 58.73 62.10 1pnr h TYR 227 Cb 0.65 0.43 -0.08 0.00 1.54 0.00 0.00 36.73 39.27 1pnr h TYR 227 CO 0.06 -0.39 0.61 0.00 -1.64 0.00 0.00 178.16 176.79 1pnr h ARG 228 N -0.50 0.88 0.08 1.82 -0.00 -1.40 -2.66 114.38 112.60 1pnr h ARG 228 Ca -0.01 -0.05 -0.00 0.00 -0.50 0.00 0.00 59.98 59.42 1pnr h ARG 228 Cb 0.50 -0.20 0.00 0.00 0.00 0.00 0.00 29.97 30.27 1pnr h ARG 228 CO -0.18 0.58 -0.04 0.00 0.00 0.00 0.00 179.97 180.33 1pnr h ALA 229 N 1.56 -0.11 -0.45 0.04 0.00 -1.06 0.00 119.26 119.24 1pnr h ALA 229 Ca 0.47 -0.27 0.04 0.00 0.00 0.00 0.00 54.91 55.15 1pnr h ALA 229 Cb 0.52 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.30 1pnr h ALA 229 CO -0.23 -0.25 -0.26 -0.12 0.00 0.00 0.00 179.25 178.39 1pnr n MET 230 N -4.86 -0.20 0.06 0.00 0.00 -0.68 0.13 117.12 111.58 1pnr n MET 230 Ca -0.08 0.86 -0.10 0.00 0.00 0.00 0.00 57.70 58.37 1pnr n MET 230 Cb 0.29 -1.27 -0.06 0.00 0.00 0.00 0.00 33.22 32.18 1pnr n MET 230 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 175.97 176.34 1pnr h GLN 231 N 0.00 -0.44 -1.00 2.12 4.15 -1.41 0.20 115.11 118.72 1pnr h GLN 231 Ca 0.07 0.03 0.22 0.00 0.77 0.00 0.00 58.65 59.74 1pnr h GLN 231 Cb 0.18 0.10 -0.11 0.00 0.21 0.00 0.00 27.48 27.86 1pnr h GLN 231 CO -0.42 -0.29 0.61 1.96 -1.93 0.00 0.00 178.83 178.76 1pnr h GLN 232 N -0.46 0.62 0.48 1.69 4.20 -0.60 0.64 115.11 121.67 1pnr h GLN 232 Ca -0.00 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.65 1pnr h GLN 232 Cb 0.47 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.11 1pnr h GLN 232 CO -0.19 0.41 -0.23 0.82 -0.67 0.00 0.00 178.83 178.97 1pnr h ILE 233 N 0.64 0.00 0.00 2.54 2.04 0.26 -2.97 117.51 120.02 1pnr h ILE 233 Ca 0.60 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 66.34 1pnr h ILE 233 Cb 1.10 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.18 1pnr h ILE 233 CO -0.40 0.00 0.00 0.18 0.00 0.00 0.00 178.15 177.93 1pnr n LEU 234 N -4.06 0.08 -2.02 1.44 4.77 0.05 -3.18 117.00 114.07 1pnr n LEU 234 Ca -0.08 0.53 -0.18 0.00 -0.03 0.00 0.00 56.01 56.25 1pnr n LEU 234 Cb 0.25 -0.54 0.01 0.00 -2.33 0.00 0.00 43.42 40.81 1pnr n LEU 234 CO 0.19 -0.49 1.31 -1.20 -1.33 0.00 0.00 177.39 175.87 1pnr n SER 235 N -1.61 6.40 -3.71 -1.43 7.64 0.22 -4.89 113.62 116.24 1pnr n SER 235 Ca 0.01 -3.06 -0.14 0.00 1.01 0.00 0.00 58.87 56.69 1pnr n SER 235 Cb 0.05 -1.11 -0.08 0.00 -1.01 0.00 0.00 64.21 62.06 1pnr n SER 235 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1pnr s GLN 236 N -1.65 0.74 0.06 1.43 -2.07 -1.19 -4.95 119.66 112.02 1pnr s GLN 236 Ca 0.38 -0.09 -0.11 0.00 -1.82 0.00 0.00 55.36 53.72 1pnr s GLN 236 Cb 0.27 0.34 -0.03 0.00 -1.09 0.00 0.00 33.01 32.50 1pnr s GLN 236 CO -0.05 -0.21 0.77 -0.35 -1.32 0.00 0.00 175.29 174.12 1pnr n PRO 237 N 1.23 -0.16 -3.63 9.60 -0.04 -1.26 -3.86 135.00 136.88 1pnr n PRO 237 Ca -0.21 0.75 -0.38 0.00 -0.04 0.00 0.00 63.50 63.63 1pnr n PRO 237 Cb 0.56 -1.12 -0.11 0.00 -0.04 0.00 0.00 33.50 32.79 1pnr n PRO 237 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1pnr s HIS 238 N -4.45 3.19 0.15 0.54 5.65 -1.26 -5.10 115.29 114.01 1pnr s HIS 238 Ca -0.04 -0.02 0.09 0.00 0.25 0.00 0.00 55.06 55.33 1pnr s HIS 238 Cb 0.04 -2.34 -0.04 0.00 -1.18 0.00 0.00 32.58 29.06 1pnr s HIS 238 CO 0.22 -0.21 -0.20 -0.98 -0.65 0.00 0.00 174.74 172.93 1pnr s ARG 239 N 1.72 1.26 1.01 2.88 1.70 -1.25 -5.01 118.95 121.26 1pnr s ARG 239 Ca 0.07 -1.35 -0.15 0.00 -0.47 0.00 0.00 55.73 53.83 1pnr s ARG 239 Cb -0.16 -1.40 0.20 0.00 -0.57 0.00 0.00 34.95 33.02 1pnr s ARG 239 CO 0.09 0.30 1.17 -1.25 -1.08 0.00 0.00 175.30 174.53 1pnr s PRO 240 N -2.53 0.32 0.00 3.89 0.04 -1.26 -4.96 135.00 130.50 1pnr s PRO 240 Ca 0.14 0.02 0.13 0.00 0.04 0.00 0.00 61.00 61.33 1pnr s PRO 240 Cb -0.07 -1.77 0.03 0.00 0.04 0.00 0.00 34.50 32.73 1pnr s PRO 240 CO 0.06 -2.70 0.81 0.25 0.04 0.00 0.00 177.00 175.46 1pnr n THR 241 N -4.06 0.00 -3.65 1.26 -2.24 0.44 -4.97 114.28 101.06 1pnr n THR 241 Ca 0.10 -0.41 -0.15 0.00 -2.27 0.00 0.00 64.05 61.32 1pnr n THR 241 Cb 0.59 1.20 -0.07 0.00 -2.10 0.00 0.00 70.33 69.95 1pnr n THR 241 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pnr s ALA 242 N -1.46 -1.22 -0.02 6.98 0.00 -0.75 -1.92 121.76 123.35 1pnr s ALA 242 Ca 0.13 0.78 0.02 0.00 0.00 0.00 0.00 51.96 52.88 1pnr s ALA 242 Cb 0.11 0.02 0.01 0.00 0.00 0.00 0.00 23.12 23.26 1pnr s ALA 242 CO 0.28 -0.31 -0.06 0.08 0.00 0.00 0.00 175.76 175.75 1pnr s VAL 243 N -1.23 0.53 -0.35 0.00 1.01 0.14 -0.25 120.40 120.25 1pnr s VAL 243 Ca -0.12 -0.21 -0.13 0.00 0.00 0.00 0.00 61.98 61.53 1pnr s VAL 243 Cb -0.03 -0.50 -0.01 0.00 0.00 0.00 0.00 36.38 35.84 1pnr s VAL 243 CO 0.07 0.19 0.23 0.12 0.00 0.00 0.00 175.10 175.71 1pnr s PHE 244 N 0.35 3.22 -0.27 5.22 5.36 -0.05 -0.28 117.98 131.54 1pnr s PHE 244 Ca -0.04 -0.38 -0.05 0.00 -0.96 0.00 0.00 56.93 55.50 1pnr s PHE 244 Cb -0.08 -2.47 0.01 0.00 -0.34 0.00 0.00 43.02 40.13 1pnr s PHE 244 CO -0.00 -0.43 0.02 0.00 -1.46 0.00 0.00 175.22 173.35 1pnr h GLY 246 N 8.15 0.00 -4.64 0.00 0.00 -1.44 -3.17 103.07 101.98 1pnr h GLY 246 Ca -0.34 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 46.90 1pnr h GLY 246 CO 0.59 0.00 -0.04 -0.32 0.00 0.00 0.00 176.54 176.78 1pnr s GLY 247 N -3.33 -0.40 0.24 4.60 0.00 -1.25 -4.62 107.32 102.56 1pnr s GLY 247 Ca -0.02 1.19 -0.06 0.00 0.00 0.00 0.00 44.72 45.84 1pnr s GLY 247 CO 0.22 0.93 1.82 -0.55 0.00 0.00 0.00 173.10 175.53 1pnr h ASP 248 N 4.24 0.70 -0.10 1.64 3.32 -0.89 -1.24 116.42 124.09 1pnr h ASP 248 Ca -0.28 0.04 -0.08 0.00 0.02 0.00 0.00 57.03 56.73 1pnr h ASP 248 Cb 1.16 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.60 1pnr h ASP 248 CO 0.29 0.42 -0.17 0.40 -1.72 0.00 0.00 179.24 178.45 1pnr h ILE 249 N 0.82 1.24 -0.00 0.35 1.08 -1.87 0.40 117.51 119.54 1pnr h ILE 249 Ca 0.37 -1.11 -0.12 0.00 -0.39 0.00 0.00 64.86 63.61 1pnr h ILE 249 Cb 0.28 1.23 -0.02 0.00 -3.07 0.00 0.00 36.82 35.23 1pnr h ILE 249 CO -0.21 0.36 -0.57 0.24 -0.69 0.00 0.00 178.15 177.27 1pnr h MET 250 N 0.44 0.00 -0.70 2.37 2.86 -1.61 -1.76 114.93 116.52 1pnr h MET 250 Ca 0.08 -0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.65 1pnr h MET 250 Cb 0.56 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.19 1pnr h MET 250 CO 0.04 0.57 0.18 0.00 1.06 0.00 0.00 176.91 178.76 1pnr h ALA 251 N 1.43 0.99 -0.94 6.32 0.00 0.41 0.40 119.26 127.87 1pnr h ALA 251 Ca -0.01 -0.24 0.04 0.00 0.00 0.00 0.00 54.91 54.70 1pnr h ALA 251 Cb 1.01 -0.27 -0.06 0.00 0.00 0.00 0.00 17.79 18.47 1pnr h ALA 251 CO 0.07 0.66 0.61 1.98 0.00 0.00 0.00 179.25 182.57 1pnr h MET 252 N 1.05 1.14 -0.10 0.00 -1.53 0.14 0.61 114.93 116.25 1pnr h MET 252 Ca 0.22 -0.07 -0.15 0.00 -3.44 0.00 0.00 59.70 56.26 1pnr h MET 252 Cb 0.35 -0.26 -0.01 0.00 -0.55 0.00 0.00 31.60 31.14 1pnr h MET 252 CO -0.00 0.75 -0.59 0.78 0.14 0.00 0.00 176.91 177.99 1pnr h GLY 253 N 1.18 0.37 1.11 1.39 0.00 0.42 -2.68 103.07 104.85 1pnr h GLY 253 Ca 0.37 -0.45 0.01 0.00 0.00 0.00 0.00 47.33 47.26 1pnr h GLY 253 CO -0.12 0.40 0.60 0.00 0.00 0.00 0.00 176.54 177.42 1pnr h ALA 254 N 1.12 1.35 -0.58 3.60 0.00 0.20 -2.29 119.26 122.66 1pnr h ALA 254 Ca -0.00 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1pnr h ALA 254 Cb 1.11 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 1pnr h ALA 254 CO 0.10 0.60 0.28 -0.07 0.00 0.00 0.00 179.25 180.16 1pnr h LEU 255 N 1.23 0.76 -0.36 0.00 4.07 0.42 -2.76 115.31 118.68 1pnr h LEU 255 Ca 0.33 -0.13 0.03 0.00 0.08 0.00 0.00 57.88 58.19 1pnr h LEU 255 Cb -0.14 -0.19 -0.03 0.00 1.08 0.00 0.00 40.66 41.37 1pnr h LEU 255 CO -0.07 0.67 0.17 0.00 -1.08 0.00 0.00 178.44 178.13 1pnr h ALA 257 N 1.19 0.63 -0.15 0.00 0.00 -1.52 0.41 119.26 119.81 1pnr h ALA 257 Ca 0.15 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.03 1pnr h ALA 257 Cb 0.07 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 17.60 1pnr h ALA 257 CO -0.11 0.14 -0.28 0.00 0.00 0.00 0.00 179.25 179.00 1pnr h ALA 258 N 1.12 -0.28 -0.69 0.00 0.00 -1.35 0.34 119.26 118.39 1pnr h ALA 258 Ca 0.17 0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.17 1pnr h ALA 258 Cb 0.04 0.55 -0.05 0.00 0.00 0.00 0.00 17.79 18.32 1pnr h ALA 258 CO -0.03 -0.74 0.40 0.22 0.00 0.00 0.00 179.25 179.10 1pnr h ASP 259 N -0.34 0.62 -0.22 0.00 3.58 -1.12 0.79 116.42 119.73 1pnr h ASP 259 Ca 0.11 0.02 -0.02 0.00 0.42 0.00 0.00 57.03 57.56 1pnr h ASP 259 Cb 0.50 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.43 1pnr h ASP 259 CO -0.35 0.40 0.08 -0.33 -2.88 0.00 0.00 179.24 176.17 1pnr h GLU 260 N 0.75 0.40 -0.47 0.28 5.08 0.22 0.33 114.58 121.18 1pnr h GLU 260 Ca 0.30 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 1pnr h GLU 260 Cb 0.15 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1pnr h GLU 260 CO -0.16 0.36 0.00 -1.33 -1.00 0.00 0.00 179.01 176.88 1pnr n MET 261 N -4.39 1.89 -2.29 2.33 2.81 0.94 -4.89 117.12 113.52 1pnr n MET 261 Ca 0.01 -1.02 -0.20 0.00 -1.81 0.00 0.00 57.70 54.67 1pnr n MET 261 Cb 0.15 -1.40 -0.02 0.00 -0.71 0.00 0.00 33.22 31.24 1pnr n MET 261 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1pnr n GLY 262 N 0.69 -0.18 3.88 3.03 0.00 0.12 -4.98 105.19 107.75 1pnr n GLY 262 Ca 0.09 -0.04 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 1pnr n GLY 262 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pnr s LEU 263 N -5.66 4.33 -0.10 0.99 1.02 0.14 -4.98 118.68 114.42 1pnr s LEU 263 Ca 0.00 0.38 -0.10 0.00 0.02 0.00 0.00 54.13 54.44 1pnr s LEU 263 Cb 0.00 -2.33 -0.05 0.00 0.02 0.00 0.00 46.19 43.84 1pnr s LEU 263 CO 0.00 0.33 0.21 -0.13 0.02 0.00 0.00 176.35 176.78 1pnr s ARG 264 N -1.49 3.67 -0.07 1.70 1.81 -1.26 -3.60 118.95 119.71 1pnr s ARG 264 Ca 0.21 0.00 0.04 0.00 -1.72 0.00 0.00 55.73 54.27 1pnr s ARG 264 Cb -0.12 -3.23 -0.00 0.00 -0.45 0.00 0.00 34.95 31.14 1pnr s ARG 264 CO 0.11 0.68 -0.21 0.08 -0.68 0.00 0.00 175.30 175.28 1pnr s VAL 265 N -0.81 1.78 -1.14 3.52 1.01 -1.26 0.38 120.40 123.88 1pnr s VAL 265 Ca 0.17 -0.89 0.27 0.00 0.00 0.00 0.00 61.98 61.53 1pnr s VAL 265 Cb -0.13 -1.53 0.19 0.00 0.00 0.00 0.00 36.38 34.90 1pnr s VAL 265 CO 0.06 0.50 1.71 -0.81 0.00 0.00 0.00 175.10 176.55 1pnr n PRO 266 N 3.31 0.15 -0.34 2.72 -0.04 -1.26 -4.67 135.00 134.86 1pnr n PRO 266 Ca -0.19 -0.05 0.26 0.00 -0.04 0.00 0.00 63.50 63.47 1pnr n PRO 266 Cb 0.52 -1.50 0.50 0.00 -0.04 0.00 0.00 33.50 32.99 1pnr n PRO 266 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1pnr h GLN 267 N 0.13 0.28 0.00 0.54 7.50 -1.89 -2.79 115.11 118.88 1pnr h GLN 267 Ca 0.00 -0.02 -0.37 0.00 0.50 0.00 0.00 58.65 58.77 1pnr h GLN 267 Cb 0.47 -0.06 -0.07 0.00 0.05 0.00 0.00 27.48 27.87 1pnr h GLN 267 CO 0.00 0.19 -2.38 -0.25 -1.50 0.00 0.00 178.83 174.88 1pnr n ASP 268 N -5.00 1.29 -3.84 1.46 8.00 1.23 -4.93 116.55 114.77 1pnr n ASP 268 Ca 0.32 -0.08 -0.12 0.00 0.71 0.00 0.00 54.79 55.62 1pnr n ASP 268 Cb 1.04 0.18 -0.14 0.00 -0.02 0.00 0.00 41.12 42.18 1pnr n ASP 268 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1pnr s VAL 269 N -2.49 -0.01 0.08 2.53 1.01 -0.66 -4.91 120.40 115.96 1pnr s VAL 269 Ca -0.24 0.02 -0.05 0.00 0.00 0.00 0.00 61.98 61.72 1pnr s VAL 269 Cb 0.07 -0.09 -0.05 0.00 0.00 0.00 0.00 36.38 36.31 1pnr s VAL 269 CO 0.67 0.01 0.31 -0.44 0.00 0.00 0.00 175.10 175.65 1pnr s SER 270 N 0.15 6.47 -0.02 3.32 0.01 -0.81 -4.11 113.70 118.71 1pnr s SER 270 Ca -0.01 0.52 0.00 0.00 1.31 0.00 0.00 55.95 57.77 1pnr s SER 270 Cb -0.02 -2.07 0.02 0.00 0.21 0.00 0.00 66.02 64.17 1pnr s SER 270 CO -0.00 0.14 0.01 -0.22 0.41 0.00 0.00 173.24 173.58 1pnr s LEU 271 N -2.32 1.37 -0.05 2.44 2.96 0.64 -0.69 118.68 123.03 1pnr s LEU 271 Ca 0.35 0.01 0.04 0.00 -0.22 0.00 0.00 54.13 54.31 1pnr s LEU 271 Cb -0.13 -0.08 0.00 0.00 0.50 0.00 0.00 46.19 46.48 1pnr s LEU 271 CO 0.22 -0.08 -0.15 -0.51 -1.32 0.00 0.00 176.35 174.51 1pnr s ILE 272 N 0.74 1.32 0.00 6.68 2.07 0.61 -4.40 121.20 128.22 1pnr s ILE 272 Ca -0.06 -0.64 0.00 0.00 -1.41 0.00 0.00 60.65 58.54 1pnr s ILE 272 Cb -0.09 -1.15 0.00 0.00 0.13 0.00 0.00 42.46 41.35 1pnr s ILE 272 CO -0.02 0.39 0.00 0.61 -1.91 0.00 0.00 174.94 174.01 1pnr n GLY 273 N 3.30 2.65 3.58 1.50 0.00 -0.64 -0.11 105.19 115.46 1pnr n GLY 273 Ca -0.19 -1.83 -0.00 0.00 0.00 0.00 0.00 46.02 44.00 1pnr n GLY 273 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1pnr s TYR 274 N 3.37 -0.42 0.00 1.61 6.14 -1.20 -3.29 117.35 123.57 1pnr s TYR 274 Ca 0.00 0.81 0.00 0.00 0.64 0.00 0.00 57.07 58.52 1pnr s TYR 274 Cb 0.00 0.25 0.00 0.00 0.42 0.00 0.00 41.96 42.63 1pnr s TYR 274 CO 0.00 -0.21 0.00 -0.25 0.64 0.00 0.00 175.55 175.73 1pnr n ASP 275 N 3.80 0.00 -3.21 4.32 8.00 0.16 -0.26 116.55 129.35 1pnr n ASP 275 Ca -0.16 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.19 1pnr n ASP 275 Cb 0.56 0.00 0.08 0.00 -0.02 0.00 0.00 41.12 41.74 1pnr n ASP 275 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1pnr n ASN 276 N 0.00 -3.93 -4.74 -2.24 5.15 -1.07 -2.30 115.26 106.13 1pnr n ASN 276 Ca 0.00 -0.62 -0.37 0.00 -0.60 0.00 0.00 54.58 53.00 1pnr n ASN 276 Cb 0.00 -4.86 0.06 0.00 -0.53 0.00 0.00 39.78 34.45 1pnr n ASN 276 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1pnr s VAL 277 N -3.35 2.21 0.56 3.44 1.01 -1.26 -4.80 120.40 118.21 1pnr s VAL 277 Ca 0.19 0.13 0.17 0.00 0.00 0.00 0.00 61.98 62.47 1pnr s VAL 277 Cb -0.02 -3.04 0.26 0.00 0.00 0.00 0.00 36.38 33.57 1pnr s VAL 277 CO 0.69 -0.03 1.10 0.54 0.00 0.00 0.00 175.10 177.40 1pnr n ARG 278 N -1.84 0.02 -1.92 2.72 1.74 -1.26 -1.49 116.66 114.63 1pnr n ARG 278 Ca 0.15 0.91 0.03 0.00 -0.77 0.00 0.00 57.85 58.17 1pnr n ARG 278 Cb 0.49 -2.31 0.03 0.00 -1.02 0.00 0.00 32.46 29.65 1pnr n ARG 278 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1pnr n ASN 279 N -2.85 1.22 0.22 0.55 2.04 -1.26 -4.66 115.26 110.52 1pnr n ASN 279 Ca 0.15 -2.05 0.08 0.00 -0.44 0.00 0.00 54.58 52.32 1pnr n ASN 279 Cb 1.26 -0.36 0.49 0.00 -2.53 0.00 0.00 39.78 38.64 1pnr n ASN 279 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1pnr h ALA 280 N 1.52 1.19 0.00 -2.53 0.00 -1.61 -1.70 119.26 116.14 1pnr h ALA 280 Ca -0.19 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1pnr h ALA 280 Cb 1.68 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.43 1pnr h ALA 280 CO 0.13 0.33 0.00 -2.13 0.00 0.00 0.00 179.25 177.58 1pnr n ARG 281 N -3.69 0.16 -0.46 0.00 0.63 -1.26 -0.94 116.66 111.09 1pnr n ARG 281 Ca -0.01 0.47 0.08 0.00 -0.92 0.00 0.00 57.85 57.47 1pnr n ARG 281 Cb 0.38 -1.85 0.27 0.00 0.45 0.00 0.00 32.46 31.71 1pnr n ARG 281 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1pnr n TYR 282 N -2.15 1.06 -1.35 -0.14 4.01 -0.64 -4.44 117.16 113.50 1pnr n TYR 282 Ca 0.01 -0.70 -0.29 0.00 -0.16 0.00 0.00 57.90 56.76 1pnr n TYR 282 Cb 0.16 -0.24 0.16 0.00 -0.31 0.00 0.00 39.34 39.11 1pnr n TYR 282 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 1pnr s PHE 283 N -2.12 2.18 -0.26 -0.72 0.40 -0.12 -4.92 117.98 112.41 1pnr s PHE 283 Ca 0.41 0.87 -0.01 0.00 -0.60 0.00 0.00 56.93 57.59 1pnr s PHE 283 Cb 0.29 -3.36 0.08 0.00 0.51 0.00 0.00 43.02 40.54 1pnr s PHE 283 CO 0.15 -2.73 0.05 0.99 0.70 0.00 0.00 175.22 174.38 1pnr s THR 284 N -3.14 0.92 0.80 0.64 2.01 -1.26 -2.32 115.64 113.30 1pnr s THR 284 Ca 0.65 -1.15 -0.10 0.00 0.31 0.00 0.00 61.69 61.41 1pnr s THR 284 Cb -0.16 -1.53 0.11 0.00 0.01 0.00 0.00 72.50 70.93 1pnr s THR 284 CO 0.55 -0.44 1.13 -2.16 -0.69 0.00 0.00 174.62 173.01 1pnr s PRO 285 N 1.63 1.66 -0.02 4.92 0.04 -1.26 -4.98 135.00 136.99 1pnr s PRO 285 Ca 0.04 -0.32 -0.31 0.00 0.04 0.00 0.00 61.00 60.45 1pnr s PRO 285 Cb -0.17 -2.05 -0.10 0.00 0.04 0.00 0.00 34.50 32.21 1pnr s PRO 285 CO -0.17 -1.66 1.96 0.00 0.04 0.00 0.00 177.00 177.17 1pnr n ALA 286 N -3.23 1.34 -2.12 8.56 0.00 -0.98 -4.78 120.51 119.30 1pnr n ALA 286 Ca 0.11 0.21 -0.42 0.00 0.00 0.00 0.00 53.44 53.34 1pnr n ALA 286 Cb 0.60 -2.63 -0.03 0.00 0.00 0.00 0.00 19.45 17.39 1pnr n ALA 286 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1pnr s LEU 287 N 4.56 4.33 -0.14 0.00 2.96 -1.04 0.10 118.68 129.46 1pnr s LEU 287 Ca 0.91 2.24 -0.25 0.00 -0.22 0.00 0.00 54.13 56.81 1pnr s LEU 287 Cb -0.52 -3.56 -0.02 0.00 0.50 0.00 0.00 46.19 42.58 1pnr s LEU 287 CO 0.45 -0.77 0.82 -0.89 -1.32 0.00 0.00 176.35 174.64 1pnr s THR 288 N 2.48 4.91 0.31 3.68 2.01 -1.26 -4.43 115.64 123.33 1pnr s THR 288 Ca 0.67 1.63 -0.12 0.00 0.31 0.00 0.00 61.69 64.18 1pnr s THR 288 Cb -0.34 -4.13 0.01 0.00 0.01 0.00 0.00 72.50 68.05 1pnr s THR 288 CO 0.28 0.08 0.58 0.28 -0.69 0.00 0.00 174.62 175.15 1pnr s THR 289 N 1.83 0.00 -0.15 -0.82 -1.32 -0.47 -1.62 115.64 113.07 1pnr s THR 289 Ca 0.39 -1.31 -0.21 0.00 -1.21 0.00 0.00 61.69 59.35 1pnr s THR 289 Cb -0.17 -2.43 -0.03 0.00 -1.51 0.00 0.00 72.50 68.36 1pnr s THR 289 CO 0.15 0.00 0.61 -0.63 -2.21 0.00 0.00 174.62 172.54 1pnr s ILE 290 N -3.40 5.06 -0.08 5.08 -1.09 -1.21 0.04 121.20 125.61 1pnr s ILE 290 Ca 0.21 1.20 -0.15 0.00 -2.23 0.00 0.00 60.65 59.68 1pnr s ILE 290 Cb -0.02 -3.94 -0.05 0.00 -1.58 0.00 0.00 42.46 36.87 1pnr s ILE 290 CO 0.12 0.18 0.37 -2.28 -1.23 0.00 0.00 174.94 172.11 1pnr s HIS 291 N 1.41 3.60 -0.23 3.97 5.65 0.50 0.36 115.29 130.55 1pnr s HIS 291 Ca 0.30 0.83 -0.09 0.00 0.25 0.00 0.00 55.06 56.35 1pnr s HIS 291 Cb -0.16 -2.34 -0.04 0.00 -1.18 0.00 0.00 32.58 28.85 1pnr s HIS 291 CO 0.12 0.43 0.12 -1.14 -0.65 0.00 0.00 174.74 173.62 1pnr s GLN 292 N -0.26 3.98 -0.66 2.88 2.00 -0.97 -1.58 119.66 125.04 1pnr s GLN 292 Ca 0.22 -0.32 -0.26 0.00 -2.00 0.00 0.00 55.36 53.00 1pnr s GLN 292 Cb -0.15 -3.42 -0.04 0.00 0.80 0.00 0.00 33.01 30.19 1pnr s GLN 292 CO 0.09 0.08 2.03 -1.25 -0.50 0.00 0.00 175.29 175.74 1pnr s PRO 293 N 0.97 2.43 -0.08 1.67 0.05 -1.26 -4.79 135.00 133.98 1pnr s PRO 293 Ca 0.06 0.57 -0.22 0.00 0.05 0.00 0.00 61.00 61.45 1pnr s PRO 293 Cb -0.13 -4.59 -0.18 0.00 0.05 0.00 0.00 34.50 29.64 1pnr s PRO 293 CO 0.03 -3.10 0.83 1.57 0.05 0.00 0.00 177.00 176.38 1pnr h LYS 294 N 14.95 -0.09 -0.79 4.56 2.10 -1.94 -2.98 116.57 132.38 1pnr h LYS 294 Ca -0.16 0.01 0.12 0.00 -2.00 0.00 0.00 60.65 58.62 1pnr h LYS 294 Cb 1.14 0.02 -0.06 0.00 -0.90 0.00 0.00 32.23 32.43 1pnr h LYS 294 CO 1.19 0.49 0.52 -0.44 -2.00 0.00 0.00 179.45 179.20 1pnr h ASP 295 N -0.85 0.55 1.25 7.07 5.19 -1.89 0.23 116.42 127.97 1pnr h ASP 295 Ca -0.01 0.02 -0.06 0.00 -0.62 0.00 0.00 57.03 56.37 1pnr h ASP 295 Cb 0.62 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 40.03 1pnr h ASP 295 CO 0.02 0.30 -0.78 0.28 -3.12 0.00 0.00 179.24 175.94 1pnr h SER 296 N 0.59 0.00 -0.29 6.45 0.02 -1.97 0.11 113.55 118.47 1pnr h SER 296 Ca 0.38 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 61.15 1pnr h SER 296 Cb 0.64 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.18 1pnr h SER 296 CO -0.14 0.22 -0.51 0.25 -1.14 0.00 0.00 176.83 175.51 1pnr h LEU 297 N 0.00 0.96 0.10 5.07 6.46 -0.90 0.10 115.31 127.11 1pnr h LEU 297 Ca -0.04 -0.50 -0.01 0.00 -0.12 0.00 0.00 57.88 57.22 1pnr h LEU 297 Cb 1.20 -0.27 0.00 0.00 -0.73 0.00 0.00 40.66 40.86 1pnr h LEU 297 CO 0.02 1.29 -0.05 1.23 -0.62 0.00 0.00 178.44 180.32 1pnr h GLY 298 N 0.74 -0.15 1.79 3.75 0.00 -0.89 -1.93 103.07 106.39 1pnr h GLY 298 Ca 0.03 0.05 -0.07 0.00 0.00 0.00 0.00 47.33 47.34 1pnr h GLY 298 CO 0.11 -0.05 -0.21 1.05 0.00 0.00 0.00 176.54 177.45 1pnr h GLU 299 N -0.61 0.25 -0.07 4.80 4.11 -0.82 -0.37 114.58 121.87 1pnr h GLU 299 Ca -0.01 -0.07 -0.11 0.00 0.07 0.00 0.00 59.36 59.23 1pnr h GLU 299 Cb 0.48 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 1pnr h GLU 299 CO 0.02 0.45 -0.47 1.15 0.07 0.00 0.00 179.01 180.24 1pnr h THR 300 N 0.23 1.34 0.06 -1.06 2.02 -0.73 -2.36 112.91 112.41 1pnr h THR 300 Ca 0.04 -1.65 -0.00 0.00 0.77 0.00 0.00 66.41 65.57 1pnr h THR 300 Cb 0.50 1.80 0.00 0.00 -1.74 0.00 0.00 68.15 68.71 1pnr h THR 300 CO 0.03 0.49 -0.03 0.00 0.37 0.00 0.00 175.52 176.38 1pnr h ALA 301 N 1.38 -0.09 -1.00 6.16 0.00 -0.41 -2.86 119.26 122.45 1pnr h ALA 301 Ca 0.01 -0.23 0.21 0.00 0.00 0.00 0.00 54.91 54.89 1pnr h ALA 301 Cb 0.88 0.03 -0.10 0.00 0.00 0.00 0.00 17.79 18.60 1pnr h ALA 301 CO 0.07 -0.30 0.61 0.35 0.00 0.00 0.00 179.25 179.98 1pnr h PHE 302 N -0.58 0.98 -0.21 0.00 3.57 -1.05 -2.06 116.94 117.59 1pnr h PHE 302 Ca -0.01 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.47 1pnr h PHE 302 Cb 0.50 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 38.94 1pnr h PHE 302 CO 0.08 0.19 -0.07 -0.91 -2.23 0.00 0.00 178.31 175.38 1pnr h ASN 303 N 0.68 0.43 -0.59 0.41 2.35 -1.35 -0.46 115.58 117.04 1pnr h ASN 303 Ca 0.58 -0.38 -0.01 0.00 -0.55 0.00 0.00 56.30 55.93 1pnr h ASN 303 Cb 1.02 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 39.24 1pnr h ASN 303 CO -0.37 0.71 0.33 0.24 -1.65 0.00 0.00 177.43 176.70 1pnr h MET 304 N 0.14 0.84 -0.37 0.81 2.86 -1.16 -2.21 114.93 115.84 1pnr h MET 304 Ca 0.05 -0.09 -0.02 0.00 -2.06 0.00 0.00 59.70 57.58 1pnr h MET 304 Cb 0.54 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 32.01 1pnr h MET 304 CO 0.02 0.62 0.15 1.25 1.06 0.00 0.00 176.91 180.01 1pnr h LEU 305 N 0.85 0.51 -0.53 1.22 5.85 -1.16 -1.22 115.31 120.83 1pnr h LEU 305 Ca 0.22 -0.17 0.06 0.00 0.84 0.00 0.00 57.88 58.83 1pnr h LEU 305 Cb 0.02 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 40.87 1pnr h LEU 305 CO -0.04 0.54 0.24 0.25 -0.34 0.00 0.00 178.44 179.09 1pnr h LEU 306 N 0.45 0.30 -0.02 2.25 5.85 -0.63 0.23 115.31 123.75 1pnr h LEU 306 Ca 0.12 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.90 1pnr h LEU 306 Cb 0.19 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 1pnr h LEU 306 CO -0.01 0.21 -0.19 -0.78 -0.34 0.00 0.00 178.44 177.32 1pnr h ASP 307 N 0.45 -0.61 -0.89 1.25 3.58 -1.13 4.29 116.42 123.38 1pnr h ASP 307 Ca 0.24 0.07 0.22 0.00 0.42 0.00 0.00 57.03 57.99 1pnr h ASP 307 Cb 0.20 0.23 -0.13 0.00 1.72 0.00 0.00 39.33 41.36 1pnr h ASP 307 CO -0.20 -0.18 0.36 0.03 -2.88 0.00 0.00 179.24 176.37 1pnr h ARG 308 N -0.23 0.35 0.00 0.28 3.08 -0.71 0.66 114.38 117.81 1pnr h ARG 308 Ca 0.01 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 1pnr h ARG 308 Cb 0.26 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.23 1pnr h ARG 308 CO -0.14 0.23 -0.00 0.82 -1.07 0.00 0.00 179.97 179.81 1pnr h ILE 309 N 0.36 0.00 0.47 2.04 2.04 0.20 -2.41 117.51 120.21 1pnr h ILE 309 Ca 0.56 -0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.39 1pnr h ILE 309 Cb 1.08 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.16 1pnr h ILE 309 CO -0.55 0.00 -0.24 1.62 0.00 0.00 0.00 178.15 178.98 1pnr h VAL 310 N -0.01 0.00 0.00 1.67 3.04 0.90 -2.65 116.25 119.19 1pnr h VAL 310 Ca -0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1pnr h VAL 310 Cb 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 31.29 29.28 1pnr h VAL 310 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.57 177.15 1pnr n ASN 311 N -3.82 1.51 -3.75 3.17 4.13 0.22 -4.83 115.26 111.89 1pnr n ASN 311 Ca -0.08 -1.21 -0.30 0.00 1.68 0.00 0.00 54.58 54.67 1pnr n ASN 311 Cb 0.26 -0.30 -0.06 0.00 -1.54 0.00 0.00 39.78 38.14 1pnr n ASN 311 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1pnr n LYS 312 N 0.57 -0.82 -2.03 3.52 5.02 -0.94 -4.85 118.16 118.63 1pnr n LYS 312 Ca 0.00 0.10 -0.37 0.00 -2.02 0.00 0.00 58.31 56.02 1pnr n LYS 312 Cb 0.26 -3.30 0.02 0.00 -0.02 0.00 0.00 35.03 31.99 1pnr n LYS 312 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1pnr s ARG 313 N -5.69 3.26 -0.01 1.97 3.52 -1.02 -4.96 118.95 116.02 1pnr s ARG 313 Ca 0.50 1.92 0.02 0.00 -0.13 0.00 0.00 55.73 58.04 1pnr s ARG 313 Cb -0.29 -2.16 -0.03 0.00 -1.56 0.00 0.00 34.95 30.91 1pnr s ARG 313 CO 0.75 -1.00 0.03 0.39 -0.81 0.00 0.00 175.30 174.66 1pnr n GLU 314 N -1.11 1.96 -3.18 5.12 -0.58 -1.26 -4.86 120.64 116.73 1pnr n GLU 314 Ca 0.11 -0.01 -0.39 0.00 -0.42 0.00 0.00 57.16 56.45 1pnr n GLU 314 Cb 0.48 -1.05 -0.06 0.00 -0.57 0.00 0.00 31.44 30.24 1pnr n GLU 314 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1pnr s GLU 315 N -2.10 4.32 0.90 3.49 2.02 -1.26 -5.02 118.70 121.04 1pnr s GLU 315 Ca -0.01 0.83 -0.10 0.00 0.02 0.00 0.00 54.97 55.71 1pnr s GLU 315 Cb 0.01 -3.28 0.14 0.00 0.10 0.00 0.00 34.13 31.09 1pnr s GLU 315 CO 0.09 0.53 1.14 -1.25 0.02 0.00 0.00 175.26 175.79 1pnr s PRO 316 N -0.78 1.16 0.16 0.39 0.04 -1.26 -4.99 135.00 129.72 1pnr s PRO 316 Ca 0.31 1.51 -0.18 0.00 0.04 0.00 0.00 61.00 62.69 1pnr s PRO 316 Cb -0.20 -1.75 0.04 0.00 0.04 0.00 0.00 34.50 32.63 1pnr s PRO 316 CO 0.20 -2.52 0.48 -1.14 0.04 0.00 0.00 177.00 174.07 1pnr s GLN 317 N -4.68 1.24 -0.08 4.56 0.74 -1.25 -5.01 119.66 115.17 1pnr s GLN 317 Ca 0.66 -0.75 -0.04 0.00 0.05 0.00 0.00 55.36 55.28 1pnr s GLN 317 Cb -0.22 0.51 0.04 0.00 1.10 0.00 0.00 33.01 34.44 1pnr s GLN 317 CO 0.58 -0.51 0.19 -1.54 -0.55 0.00 0.00 175.29 173.46 1pnr s SER 318 N -2.83 -0.19 -0.03 6.67 1.04 -1.25 0.35 113.70 117.47 1pnr s SER 318 Ca 0.06 0.40 0.05 0.00 0.48 0.00 0.00 55.95 56.94 1pnr s SER 318 Cb 0.00 0.31 -0.01 0.00 0.10 0.00 0.00 66.02 66.42 1pnr s SER 318 CO -0.08 -0.14 -0.19 -0.63 0.98 0.00 0.00 173.24 173.18 1pnr s ILE 319 N 1.00 1.52 0.30 -1.02 1.01 0.15 -4.95 121.20 119.21 1pnr s ILE 319 Ca -0.07 -0.79 -0.10 0.00 0.00 0.00 0.00 60.65 59.68 1pnr s ILE 319 Cb -0.09 -1.29 -0.07 0.00 0.01 0.00 0.00 42.46 41.02 1pnr s ILE 319 CO -0.06 0.43 0.64 -1.61 0.00 0.00 0.00 174.94 174.35 1pnr s GLU 320 N -0.20 3.81 0.17 2.79 2.02 -1.26 0.36 118.70 126.40 1pnr s GLU 320 Ca 0.01 0.36 0.05 0.00 0.02 0.00 0.00 54.97 55.42 1pnr s GLU 320 Cb -0.10 -2.54 -0.05 0.00 0.10 0.00 0.00 34.13 31.55 1pnr s GLU 320 CO 0.01 0.18 -0.10 0.54 0.02 0.00 0.00 175.26 175.91 1pnr s VAL 321 N -2.03 1.31 -0.15 2.63 0.11 0.10 -4.88 120.40 117.49 1pnr s VAL 321 Ca 0.49 -2.10 0.00 0.00 -2.93 0.00 0.00 61.98 57.44 1pnr s VAL 321 Cb -0.11 -1.96 0.03 0.00 -1.53 0.00 0.00 36.38 32.81 1pnr s VAL 321 CO 0.24 -0.66 -0.11 -1.00 -3.33 0.00 0.00 175.10 170.24 1pnr s HIS 322 N -3.24 2.04 0.78 1.54 0.09 -1.26 -4.15 115.29 111.09 1pnr s HIS 322 Ca 0.20 -1.18 -0.12 0.00 -0.00 0.00 0.00 55.06 53.96 1pnr s HIS 322 Cb 0.02 -1.51 0.07 0.00 -0.00 0.00 0.00 32.58 31.16 1pnr s HIS 322 CO 0.03 -0.65 1.14 -1.25 -0.00 0.00 0.00 174.74 174.01 1pnr s PRO 323 N 1.53 1.99 -0.07 8.40 0.04 -1.26 -4.67 135.00 140.95 1pnr s PRO 323 Ca 0.04 1.46 -0.24 0.00 0.04 0.00 0.00 61.00 62.30 1pnr s PRO 323 Cb -0.14 -1.84 0.05 0.00 0.04 0.00 0.00 34.50 32.61 1pnr s PRO 323 CO -0.10 -1.89 0.55 -0.98 0.04 0.00 0.00 177.00 174.62 1pnr s ARG 324 N -4.44 0.86 0.29 4.56 1.70 -0.62 -4.95 118.95 116.36 1pnr s ARG 324 Ca 0.67 0.23 -0.29 0.00 -0.47 0.00 0.00 55.73 55.87 1pnr s ARG 324 Cb -0.22 0.40 -0.10 0.00 -0.57 0.00 0.00 34.95 34.46 1pnr s ARG 324 CO 0.51 -0.24 1.20 -1.17 -1.08 0.00 0.00 175.30 174.52 1pnr s LEU 325 N -0.94 4.49 -0.14 -1.89 1.98 -1.26 0.19 118.68 121.11 1pnr s LEU 325 Ca -0.10 2.43 0.00 0.00 -2.89 0.00 0.00 54.13 53.57 1pnr s LEU 325 Cb -0.02 -3.63 0.03 0.00 0.66 0.00 0.00 46.19 43.22 1pnr s LEU 325 CO 0.06 -0.33 -0.11 -0.63 -1.89 0.00 0.00 176.35 173.46 1pnr s ILE 326 N -1.00 1.33 -0.16 6.68 -1.09 0.11 -4.83 121.20 122.24 1pnr s ILE 326 Ca 0.47 -0.51 -0.18 0.00 -2.23 0.00 0.00 60.65 58.21 1pnr s ILE 326 Cb -0.35 -1.30 -0.04 0.00 -1.58 0.00 0.00 42.46 39.19 1pnr s ILE 326 CO 0.45 0.39 0.48 -1.61 -1.23 0.00 0.00 174.94 173.42 1pnr s GLU 327 N 1.58 4.26 0.00 2.79 2.02 -1.26 -1.37 118.70 126.71 1pnr s GLU 327 Ca 0.05 0.39 0.00 0.00 0.02 0.00 0.00 54.97 55.43 1pnr s GLU 327 Cb -0.13 -3.50 0.00 0.00 0.10 0.00 0.00 34.13 30.60 1pnr s GLU 327 CO -0.09 0.02 0.00 -2.13 0.02 0.00 0.00 175.26 173.07 1pnr n ARG 328 N 4.20 0.44 -0.22 1.61 3.00 -1.26 -4.95 116.66 119.49 1pnr n ARG 328 Ca -0.06 0.00 0.09 0.00 -0.00 0.00 0.00 57.85 57.87 1pnr n ARG 328 Cb 0.51 0.00 0.16 0.00 0.00 0.00 0.00 32.46 33.13 1pnr n ARG 328 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.63 180.52 1pnr n ARG 329 N 0.00 1.39 -0.28 -0.14 1.85 0.28 -4.67 116.66 115.08 1pnr n ARG 329 Ca 0.00 -2.78 0.11 0.00 -1.00 0.00 0.00 57.85 54.18 1pnr n ARG 329 Cb 0.00 -1.54 0.28 0.00 -1.05 0.00 0.00 32.46 30.15 1pnr n ARG 329 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 1pnr n SER 330 N -1.34 3.40 -4.14 2.89 3.41 -1.11 -4.47 113.62 112.25 1pnr n SER 330 Ca 0.17 -1.98 -0.23 0.00 -0.26 0.00 0.00 58.87 56.57 1pnr n SER 330 Cb 0.66 -0.37 -0.15 0.00 -0.26 0.00 0.00 64.21 64.09 1pnr n SER 330 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1pnr s VAL 331 N -1.25 1.20 0.17 -3.33 1.01 -1.26 -0.26 120.40 116.68 1pnr s VAL 331 Ca 0.42 -0.75 0.04 0.00 0.00 0.00 0.00 61.98 61.69 1pnr s VAL 331 Cb 0.23 -1.02 -0.05 0.00 0.00 0.00 0.00 36.38 35.54 1pnr s VAL 331 CO 0.30 0.26 -0.06 0.00 0.00 0.00 0.00 175.10 175.60 1pnr s ALA 332 N -0.48 1.51 0.45 5.51 0.00 -1.26 -4.99 121.76 122.49 1pnr s ALA 332 Ca 0.05 -1.57 -0.25 0.00 0.00 0.00 0.00 51.96 50.19 1pnr s ALA 332 Cb -0.06 0.22 -0.09 0.00 0.00 0.00 0.00 23.12 23.19 1pnr s ALA 332 CO -0.00 -0.17 1.34 -0.25 0.00 0.00 0.00 175.76 176.68 1pnr n ASP 333 N -0.25 2.83 -5.00 0.00 8.00 -1.26 -4.89 116.55 115.99 1pnr n ASP 333 Ca -0.09 1.10 -0.19 0.00 0.71 0.00 0.00 54.79 56.33 1pnr n ASP 333 Cb 0.62 -1.54 0.01 0.00 -0.02 0.00 0.00 41.12 40.18 1pnr n ASP 333 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1pnr s GLY 334 N -0.55 1.83 0.48 0.44 0.00 0.60 -4.93 107.32 105.18 1pnr s GLY 334 Ca 0.62 -1.53 0.35 0.00 0.00 0.00 0.00 44.72 44.17 1pnr s GLY 334 CO 0.57 -1.35 1.63 -2.55 0.00 0.00 0.00 173.10 171.41 1pnr h PRO 335 N 0.57 0.06 -0.27 2.90 0.11 -1.76 -1.48 132.00 132.13 1pnr h PRO 335 Ca -0.42 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1pnr h PRO 335 Cb 1.28 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1pnr h PRO 335 CO 0.49 0.04 0.00 1.19 -0.21 0.00 0.00 178.00 179.51 1pnr n PHE 336 N -4.46 0.34 -0.22 0.65 3.01 0.12 -4.61 117.46 112.29 1pnr n PHE 336 Ca 0.37 -0.17 -0.10 0.00 1.01 0.00 0.00 57.45 58.56 1pnr n PHE 336 Cb 1.54 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 40.94 1pnr n PHE 336 CO 0.00 0.00 0.00 -0.09 1.01 0.00 0.00 176.76 177.68 1pnr h ARG 337 N 3.92 -0.24 0.00 -1.08 2.43 -1.40 -1.32 114.38 116.70 1pnr h ARG 337 Ca 0.00 0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.17 1pnr h ARG 337 Cb 0.86 0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 30.46 1pnr h ARG 337 CO 0.00 -0.16 -0.10 -0.44 -1.51 0.00 0.00 179.97 177.76 1pnr h ASP 338 N -0.25 0.00 -1.54 -3.80 3.32 -1.83 -3.32 116.42 109.00 1pnr h ASP 338 Ca 0.15 0.00 -0.76 0.00 0.02 0.00 0.00 57.03 56.43 1pnr h ASP 338 Cb 0.56 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 39.94 1pnr h ASP 338 CO -0.70 0.10 1.96 -1.22 -1.72 0.00 0.00 179.24 177.66 1pnr n TYR 339 N -3.71 2.66 -1.65 4.55 4.02 -0.50 -5.24 117.16 117.29 1pnr n TYR 339 Ca -0.02 -2.75 0.00 0.00 -0.01 0.00 0.00 57.90 55.12 1pnr n TYR 339 Cb 0.21 -1.70 0.00 0.00 -0.02 0.00 0.00 39.34 37.83 1pnr n TYR 339 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39