#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5p s SER 2 N 0.00 1.33 0.16 1.61 0.01 -1.26 -5.04 113.70 110.51 1x5p s SER 2 Ca 0.00 -0.21 -0.17 0.00 1.31 0.00 0.00 55.95 56.88 1x5p s SER 2 Cb 0.00 -0.51 0.08 0.00 0.21 0.00 0.00 66.02 65.80 1x5p s SER 2 CO 0.00 0.03 1.68 0.77 0.41 0.00 0.00 173.24 176.13 1x5p h SER 3 N 6.74 -0.27 0.00 2.44 4.64 -2.12 -3.42 113.55 121.55 1x5p h SER 3 Ca -0.34 0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 1x5p h SER 3 Cb 1.17 0.20 0.00 0.00 -0.31 0.00 0.00 62.40 63.46 1x5p h SER 3 CO 0.48 -0.09 0.00 0.61 -0.87 0.00 0.00 176.83 176.96 1x5p n GLY 4 N -1.28 -1.84 3.42 -0.77 0.00 -1.26 -5.13 105.19 98.34 1x5p n GLY 4 Ca 0.02 0.84 -0.42 0.00 0.00 0.00 0.00 46.02 46.46 1x5p n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x5p s SER 5 N 0.00 5.92 -0.30 1.61 0.01 -1.26 -5.01 113.70 114.67 1x5p s SER 5 Ca 0.00 -0.91 -0.13 0.00 1.31 0.00 0.00 55.95 56.22 1x5p s SER 5 Cb 0.00 -2.09 0.17 0.00 0.21 0.00 0.00 66.02 64.31 1x5p s SER 5 CO 0.00 -0.40 0.95 -0.55 0.41 0.00 0.00 173.24 173.65 1x5p s SER 6 N 1.62 -0.65 0.00 2.44 0.15 -1.26 -5.11 113.70 110.89 1x5p s SER 6 Ca 0.04 0.67 0.00 0.00 0.70 0.00 0.00 55.95 57.35 1x5p s SER 6 Cb -0.19 1.65 0.00 0.00 -1.71 0.00 0.00 66.02 65.77 1x5p s SER 6 CO 0.08 -0.12 0.00 0.61 1.20 0.00 0.00 173.24 175.01 1x5p n GLY 7 N 5.19 3.62 0.30 9.45 0.00 -1.26 -5.01 105.19 117.49 1x5p n GLY 7 Ca -0.08 -0.50 -0.09 0.00 0.00 0.00 0.00 46.02 45.36 1x5p n GLY 7 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1x5p h GLU 8 N 0.00 -0.28 -5.23 1.61 4.81 -2.06 -3.46 114.58 109.97 1x5p h GLU 8 Ca 0.00 0.02 -0.38 0.00 -0.13 0.00 0.00 59.36 58.87 1x5p h GLU 8 Cb 0.00 0.06 0.11 0.00 0.63 0.00 0.00 28.75 29.56 1x5p h GLU 8 CO 0.00 -0.19 -0.62 0.54 -0.73 0.00 0.00 179.01 178.01 1x5p n ARG 9 N -5.39 -6.82 -4.06 1.92 1.74 -1.26 -4.98 116.66 97.81 1x5p n ARG 9 Ca -0.01 0.80 -0.32 0.00 -0.77 0.00 0.00 57.85 57.55 1x5p n ARG 9 Cb 0.31 -5.67 -0.15 0.00 -1.02 0.00 0.00 32.46 25.92 1x5p n ARG 9 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1x5p s ARG 10 N -6.09 2.05 0.34 5.56 3.52 -1.26 -5.10 118.95 117.98 1x5p s ARG 10 Ca 0.49 -1.47 -0.24 0.00 -0.13 0.00 0.00 55.73 54.37 1x5p s ARG 10 Cb -0.22 -2.96 -0.15 0.00 -1.56 0.00 0.00 34.95 30.06 1x5p s ARG 10 CO 0.60 -0.66 0.48 0.00 -0.81 0.00 0.00 175.30 174.91 1x5p n ALA 11 N 4.39 -2.10 -2.04 6.12 0.00 -1.26 -4.76 120.51 120.85 1x5p n ALA 11 Ca -0.10 0.25 -0.34 0.00 0.00 0.00 0.00 53.44 53.26 1x5p n ALA 11 Cb 0.42 -1.68 -0.04 0.00 0.00 0.00 0.00 19.45 18.15 1x5p n ALA 11 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1x5p s PRO 12 N -1.27 2.60 -0.30 0.00 0.04 -1.26 -4.91 135.00 129.89 1x5p s PRO 12 Ca 0.62 0.24 -0.43 0.00 0.04 0.00 0.00 61.00 61.47 1x5p s PRO 12 Cb -0.71 -4.66 -0.19 0.00 0.04 0.00 0.00 34.50 28.97 1x5p s PRO 12 CO 0.59 -3.00 1.47 -2.13 0.04 0.00 0.00 177.00 173.97 1x5p n ARG 13 N 9.05 0.25 -0.05 4.56 3.00 -1.26 -4.85 116.66 127.36 1x5p n ARG 13 Ca 0.28 0.09 -0.12 0.00 -0.00 0.00 0.00 57.85 58.11 1x5p n ARG 13 Cb 0.50 -1.63 -0.04 0.00 0.00 0.00 0.00 32.46 31.29 1x5p n ARG 13 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99 1x5p n LYS 14 N 3.46 0.23 -1.27 -0.14 2.85 -1.26 -5.13 118.16 116.90 1x5p n LYS 14 Ca 0.27 0.10 0.00 0.00 -1.05 0.00 0.00 58.31 57.63 1x5p n LYS 14 Cb 0.02 -0.90 0.00 0.00 -0.65 0.00 0.00 35.03 33.50 1x5p n LYS 14 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1x5p n GLY 15 N 2.34 -4.01 0.00 2.58 0.00 -1.26 -4.77 105.19 100.07 1x5p n GLY 15 Ca -0.21 -0.46 -0.00 0.00 0.00 0.00 0.00 46.02 45.35 1x5p n GLY 15 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1x5p n ASN 16 N 0.63 4.02 -4.85 1.61 6.94 -1.26 -4.38 115.26 117.96 1x5p n ASN 16 Ca 0.00 -0.00 -0.32 0.00 -0.02 0.00 0.00 54.58 54.24 1x5p n ASN 16 Cb 0.00 0.03 -0.05 0.00 -2.36 0.00 0.00 39.78 37.40 1x5p n ASN 16 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 1x5p s THR 17 N -2.01 4.64 -0.04 5.53 2.01 -1.26 -1.95 115.64 122.55 1x5p s THR 17 Ca -0.01 0.98 -0.00 0.00 0.31 0.00 0.00 61.69 62.97 1x5p s THR 17 Cb 0.00 -3.66 0.03 0.00 0.01 0.00 0.00 72.50 68.88 1x5p s THR 17 CO 0.02 -0.37 0.01 -0.76 -0.69 0.00 0.00 174.62 172.82 1x5p s LEU 18 N -3.42 0.90 -0.26 4.42 1.43 -0.58 -3.60 118.68 117.57 1x5p s LEU 18 Ca 0.55 -0.03 -0.28 0.00 -1.03 0.00 0.00 54.13 53.34 1x5p s LEU 18 Cb -0.10 -0.27 0.01 0.00 0.03 0.00 0.00 46.19 45.86 1x5p s LEU 18 CO 0.23 -0.14 1.01 -0.47 0.23 0.00 0.00 176.35 177.21 1x5p s TYR 19 N 1.39 3.27 -0.01 0.29 6.14 0.16 -2.10 117.35 126.49 1x5p s TYR 19 Ca -0.05 1.30 0.05 0.00 0.64 0.00 0.00 57.07 59.01 1x5p s TYR 19 Cb -0.13 -3.38 -0.03 0.00 0.42 0.00 0.00 41.96 38.84 1x5p s TYR 19 CO -0.03 -0.57 -0.14 0.08 0.64 0.00 0.00 175.55 175.54 1x5p s VAL 20 N 3.29 3.11 -0.07 3.14 1.01 0.98 0.10 120.40 131.96 1x5p s VAL 20 Ca 0.43 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.52 1x5p s VAL 20 Cb -0.14 -2.28 0.02 0.00 0.00 0.00 0.00 36.38 33.98 1x5p s VAL 20 CO 0.10 0.46 -0.04 -0.47 0.00 0.00 0.00 175.10 175.15 1x5p s TYR 21 N -0.86 0.91 0.20 5.22 6.14 0.60 -0.07 117.35 129.49 1x5p s TYR 21 Ca 0.14 -0.32 0.04 0.00 0.64 0.00 0.00 57.07 57.57 1x5p s TYR 21 Cb -0.11 -0.85 -0.02 0.00 0.42 0.00 0.00 41.96 41.41 1x5p s TYR 21 CO 0.04 -0.30 0.15 0.41 0.64 0.00 0.00 175.55 176.49 1x5p n GLY 22 N 4.56 3.41 0.35 8.97 0.00 -0.73 -1.85 105.19 119.90 1x5p n GLY 22 Ca -0.16 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.03 1x5p n GLY 22 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1x5p n GLU 23 N -0.39 0.00 -2.26 1.61 0.28 -1.26 -4.71 120.64 113.91 1x5p n GLU 23 Ca 0.03 0.00 -0.22 0.00 -0.16 0.00 0.00 57.16 56.81 1x5p n GLU 23 Cb 0.35 -0.60 0.02 0.00 1.43 0.00 0.00 31.44 32.64 1x5p n GLU 23 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1x5p n ASP 24 N -2.10 4.40 -4.43 -1.84 9.92 -1.26 -5.05 116.55 116.19 1x5p n ASP 24 Ca 0.00 -3.54 -0.28 0.00 -0.53 0.00 0.00 54.79 50.44 1x5p n ASP 24 Cb 0.21 -0.40 -0.12 0.00 -0.64 0.00 0.00 41.12 40.17 1x5p n ASP 24 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1x5p s MET 25 N -3.58 1.56 0.23 -1.24 0.23 -1.26 -4.89 119.30 110.35 1x5p s MET 25 Ca 0.47 -1.38 0.11 0.00 -1.03 0.00 0.00 55.69 53.85 1x5p s MET 25 Cb 0.40 -1.93 -0.05 0.00 -1.53 0.00 0.00 34.83 31.72 1x5p s MET 25 CO -0.04 0.43 -0.19 0.95 -2.03 0.00 0.00 175.02 174.14 1x5p s THR 26 N -1.35 2.22 0.16 3.16 -4.23 -1.26 -5.03 115.64 109.31 1x5p s THR 26 Ca 0.18 -2.23 -0.25 0.00 -1.18 0.00 0.00 61.69 58.21 1x5p s THR 26 Cb -0.09 -2.15 0.03 0.00 1.34 0.00 0.00 72.50 71.62 1x5p s THR 26 CO 0.09 -0.37 1.59 -0.65 -0.54 0.00 0.00 174.62 174.74 1x5p h PRO 27 N 2.64 -0.29 -0.27 3.99 0.11 -2.00 0.11 132.00 136.31 1x5p h PRO 27 Ca -0.41 0.02 0.06 0.00 0.11 0.00 0.00 66.00 65.78 1x5p h PRO 27 Cb 1.23 0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.40 1x5p h PRO 27 CO 0.57 -0.19 0.19 1.15 -0.21 0.00 0.00 178.00 179.50 1x5p h THR 28 N -0.30 0.90 -0.17 -1.15 2.02 -2.00 -1.93 112.91 110.29 1x5p h THR 28 Ca 0.15 -0.02 -0.02 0.00 0.77 0.00 0.00 66.41 67.29 1x5p h THR 28 Cb 0.56 0.83 -0.01 0.00 -1.74 0.00 0.00 68.15 67.79 1x5p h THR 28 CO -0.54 0.01 0.03 0.25 0.37 0.00 0.00 175.52 175.64 1x5p h LEU 29 N 0.07 0.27 -1.58 2.58 6.46 -1.21 -2.83 115.31 119.07 1x5p h LEU 29 Ca 0.12 -0.26 -0.04 0.00 -0.12 0.00 0.00 57.88 57.58 1x5p h LEU 29 Cb 0.41 -0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 40.26 1x5p h LEU 29 CO -0.01 0.47 -0.19 -0.07 -0.62 0.00 0.00 178.44 178.02 1x5p h LEU 30 N 0.06 0.03 -0.92 2.25 3.38 -0.61 -2.19 115.31 117.31 1x5p h LEU 30 Ca 0.05 -0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.10 1x5p h LEU 30 Cb 0.31 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 40.98 1x5p h LEU 30 CO 0.00 0.22 0.57 0.03 0.09 0.00 0.00 178.44 179.36 1x5p h ARG 31 N 0.03 0.96 -0.01 1.13 3.08 -1.16 0.23 114.38 118.64 1x5p h ARG 31 Ca 0.00 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1x5p h ARG 31 Cb 0.35 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.18 1x5p h ARG 31 CO 0.03 0.64 -0.37 0.41 -1.07 0.00 0.00 179.97 179.60 1x5p n GLY 32 N -1.34 -0.62 0.10 0.04 0.00 -0.98 -2.42 105.19 99.98 1x5p n GLY 32 Ca 0.15 -0.45 -0.13 0.00 0.00 0.00 0.00 46.02 45.59 1x5p n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x5p n ALA 33 N -0.72 1.34 -0.06 4.61 0.00 -0.42 -4.31 120.51 120.95 1x5p n ALA 33 Ca 0.10 -0.88 -0.08 0.00 0.00 0.00 0.00 53.44 52.59 1x5p n ALA 33 Cb 0.37 -0.59 -0.15 0.00 0.00 0.00 0.00 19.45 19.08 1x5p n ALA 33 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1x5p n PHE 34 N -3.12 0.43 -0.22 0.00 3.01 0.68 -4.33 117.46 113.90 1x5p n PHE 34 Ca -0.27 0.15 0.03 0.00 1.01 0.00 0.00 57.45 58.37 1x5p n PHE 34 Cb 1.07 -1.05 0.14 0.00 -0.01 0.00 0.00 39.48 39.62 1x5p n PHE 34 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1x5p h SER 35 N 0.00 0.08 -0.07 4.37 0.87 -1.63 0.75 113.55 117.93 1x5p h SER 35 Ca -0.41 0.12 0.02 0.00 -1.23 0.00 0.00 61.79 60.29 1x5p h SER 35 Cb 2.07 0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 64.17 1x5p h SER 35 CO 0.05 0.03 0.61 -0.65 -0.53 0.00 0.00 176.83 176.34 1x5p h PRO 36 N 0.31 0.00 0.06 2.24 0.11 -1.75 0.46 132.00 133.43 1x5p h PRO 36 Ca 0.36 0.00 -0.34 0.00 0.11 0.00 0.00 66.00 66.13 1x5p h PRO 36 Cb 0.55 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.62 1x5p h PRO 36 CO -0.42 0.00 -1.97 1.19 -0.21 0.00 0.00 178.00 176.59 1x5p n PHE 37 N -2.81 0.97 0.00 0.65 3.01 0.25 -5.07 117.46 114.45 1x5p n PHE 37 Ca 0.00 0.26 0.00 0.00 1.01 0.00 0.00 57.45 58.72 1x5p n PHE 37 Cb 0.66 -1.15 0.00 0.00 -0.01 0.00 0.00 39.48 38.99 1x5p n PHE 37 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1x5p n GLY 38 N 1.85 1.48 3.21 1.37 0.00 0.16 -4.89 105.19 108.37 1x5p n GLY 38 Ca -0.28 0.09 -0.33 0.00 0.00 0.00 0.00 46.02 45.50 1x5p n GLY 38 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1x5p s ASN 39 N 2.00 3.47 -0.57 1.61 2.47 -1.26 -4.45 114.94 118.21 1x5p s ASN 39 Ca 0.00 -0.54 -0.26 0.00 0.42 0.00 0.00 52.86 52.49 1x5p s ASN 39 Cb 0.00 -1.54 0.04 0.00 -1.45 0.00 0.00 41.25 38.30 1x5p s ASN 39 CO 0.00 0.05 1.05 -0.63 -3.72 0.00 0.00 177.10 173.84 1x5p s ILE 40 N 1.03 4.23 -0.47 -5.21 1.01 -1.26 -2.13 121.20 118.39 1x5p s ILE 40 Ca -0.01 0.48 0.23 0.00 0.00 0.00 0.00 60.65 61.35 1x5p s ILE 40 Cb -0.15 -4.63 -0.03 0.00 0.01 0.00 0.00 42.46 37.67 1x5p s ILE 40 CO -0.04 -1.24 1.11 2.30 0.00 0.00 0.00 174.94 177.06 1x5p n ILE 41 N 6.36 0.38 -3.38 2.92 -5.35 -0.76 -4.80 119.36 114.73 1x5p n ILE 41 Ca 0.04 -0.37 -0.09 0.00 -0.27 0.00 0.00 62.75 62.07 1x5p n ILE 41 Cb 0.48 -0.10 -0.08 0.00 -1.74 0.00 0.00 39.64 38.20 1x5p n ILE 41 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1x5p s ASP 42 N -4.53 0.17 -0.20 7.28 -1.08 -1.24 -4.99 116.67 112.08 1x5p s ASP 42 Ca 0.03 0.31 -0.02 0.00 -0.52 0.00 0.00 52.55 52.34 1x5p s ASP 42 Cb 0.12 1.15 0.06 0.00 -1.46 0.00 0.00 42.92 42.79 1x5p s ASP 42 CO 0.77 -0.29 0.03 -0.22 0.52 0.00 0.00 175.17 175.98 1x5p s LEU 43 N 2.55 1.32 0.11 -1.34 2.96 -1.24 -0.14 118.68 122.90 1x5p s LEU 43 Ca 0.11 -0.88 0.10 0.00 -0.22 0.00 0.00 54.13 53.25 1x5p s LEU 43 Cb -0.15 -0.65 -0.04 0.00 0.50 0.00 0.00 46.19 45.85 1x5p s LEU 43 CO -0.15 -0.30 -0.27 -0.55 -1.32 0.00 0.00 176.35 173.76 1x5p s SER 44 N 1.82 3.24 0.01 3.68 0.15 -1.02 -4.94 113.70 116.62 1x5p s SER 44 Ca -0.01 -0.71 0.06 0.00 0.70 0.00 0.00 55.95 56.00 1x5p s SER 44 Cb -0.17 -0.23 -0.02 0.00 -1.71 0.00 0.00 66.02 63.89 1x5p s SER 44 CO -0.08 0.19 -0.19 -0.04 1.20 0.00 0.00 173.24 174.32 1x5p s MET 45 N -1.84 1.45 -0.37 5.44 -1.94 -1.26 -0.96 119.30 119.82 1x5p s MET 45 Ca 0.13 -0.76 0.01 0.00 -1.71 0.00 0.00 55.69 53.36 1x5p s MET 45 Cb -0.10 -1.46 0.12 0.00 2.01 0.00 0.00 34.83 35.40 1x5p s MET 45 CO 0.05 0.39 0.16 -0.51 -0.01 0.00 0.00 175.02 175.09 1x5p s ASP 46 N -0.71 3.92 0.28 3.03 1.01 0.12 -4.99 116.67 119.32 1x5p s ASP 46 Ca 0.07 -2.12 0.02 0.00 0.71 0.00 0.00 52.55 51.24 1x5p s ASP 46 Cb -0.08 -1.00 0.69 0.00 1.01 0.00 0.00 42.92 43.54 1x5p s ASP 46 CO 0.00 -0.35 1.69 -0.65 0.21 0.00 0.00 175.17 176.07 1x5p h PRO 47 N 7.44 0.36 -0.09 8.23 0.11 -1.95 0.59 132.00 146.69 1x5p h PRO 47 Ca -0.07 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 66.03 1x5p h PRO 47 Cb 0.98 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 31.97 1x5p h PRO 47 CO 0.48 0.24 -0.26 -1.35 -0.21 0.00 0.00 178.00 176.89 1x5p h PRO 48 N 0.37 -0.25 -0.03 1.05 0.11 -1.96 -1.68 132.00 129.62 1x5p h PRO 48 Ca 0.54 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.67 1x5p h PRO 48 Cb 1.02 0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1x5p h PRO 48 CO -0.54 -0.16 0.00 0.54 -0.21 0.00 0.00 178.00 177.63 1x5p n ARG 49 N -3.92 1.41 -3.87 1.05 5.12 -1.04 -4.93 116.66 110.48 1x5p n ARG 49 Ca -0.03 -0.59 -0.24 0.00 -1.93 0.00 0.00 57.85 55.05 1x5p n ARG 49 Cb 0.17 -1.46 -0.00 0.00 -1.16 0.00 0.00 32.46 30.01 1x5p n ARG 49 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1x5p n ASN 50 N -0.26 -0.77 -3.99 0.55 3.02 0.20 -4.88 115.26 109.12 1x5p n ASN 50 Ca 0.20 -0.96 -0.21 0.00 -0.03 0.00 0.00 54.58 53.59 1x5p n ASN 50 Cb 0.25 -3.35 -0.09 0.00 -0.61 0.00 0.00 39.78 35.98 1x5p n ASN 50 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1x5p s ALA 52 N -3.48 -1.13 -0.34 0.00 0.00 0.90 -0.70 121.76 117.00 1x5p s ALA 52 Ca 0.33 0.55 0.01 0.00 0.00 0.00 0.00 51.96 52.85 1x5p s ALA 52 Cb 0.04 0.20 0.09 0.00 0.00 0.00 0.00 23.12 23.45 1x5p s ALA 52 CO 0.18 -0.38 0.07 -0.06 0.00 0.00 0.00 175.76 175.56 1x5p s PHE 53 N -1.87 3.58 -0.30 0.00 0.08 -0.14 -0.02 117.98 119.32 1x5p s PHE 53 Ca -0.09 -2.58 -0.11 0.00 0.12 0.00 0.00 56.93 54.27 1x5p s PHE 53 Cb -0.02 -2.77 -0.03 0.00 -0.57 0.00 0.00 43.02 39.63 1x5p s PHE 53 CO 0.02 -0.93 0.19 0.08 -0.10 0.00 0.00 175.22 174.48 1x5p s VAL 54 N 1.05 5.04 -0.13 -0.44 1.01 -0.89 -2.45 120.40 123.60 1x5p s VAL 54 Ca 0.05 -0.12 -0.04 0.00 0.00 0.00 0.00 61.98 61.87 1x5p s VAL 54 Cb -0.20 -3.50 -0.03 0.00 0.00 0.00 0.00 36.38 32.65 1x5p s VAL 54 CO -0.05 0.13 0.02 -0.89 0.00 0.00 0.00 175.10 174.31 1x5p s THR 55 N 1.70 4.44 -0.01 3.92 2.01 0.80 -1.53 115.64 126.97 1x5p s THR 55 Ca 0.06 -0.18 -0.02 0.00 0.31 0.00 0.00 61.69 61.86 1x5p s THR 55 Cb -0.17 -2.92 -0.04 0.00 0.01 0.00 0.00 72.50 69.38 1x5p s THR 55 CO 0.09 0.55 0.14 -0.31 -0.69 0.00 0.00 174.62 174.40 1x5p s TYR 56 N -0.31 3.44 0.38 4.92 2.02 -0.82 -1.82 117.35 125.16 1x5p s TYR 56 Ca 0.07 0.30 0.37 0.00 -0.37 0.00 0.00 57.07 57.44 1x5p s TYR 56 Cb -0.12 -1.79 2.02 0.00 -0.40 0.00 0.00 41.96 41.66 1x5p s TYR 56 CO 0.02 0.61 2.14 1.49 -1.57 0.00 0.00 175.55 178.24 1x5p h GLU 57 N 3.91 0.00 -5.38 -0.62 4.81 -1.78 -3.42 114.58 112.10 1x5p h GLU 57 Ca -0.49 0.00 -0.40 0.00 -0.13 0.00 0.00 59.36 58.34 1x5p h GLU 57 Cb 1.19 0.00 -0.16 0.00 0.63 0.00 0.00 28.75 30.40 1x5p h GLU 57 CO 0.66 0.00 -0.74 0.15 -0.73 0.00 0.00 179.01 178.35 1x5p s LYS 58 N -3.94 1.11 0.17 1.92 1.02 -1.26 -5.04 119.74 113.71 1x5p s LYS 58 Ca -0.04 -1.38 0.09 0.00 0.02 0.00 0.00 55.97 54.65 1x5p s LYS 58 Cb 0.11 -0.89 -0.03 0.00 -0.52 0.00 0.00 37.83 36.49 1x5p s LYS 58 CO 0.35 0.15 1.38 0.00 -0.92 0.00 0.00 175.35 176.31 1x5p h MET 59 N 3.09 0.00 -0.44 1.68 -0.00 -1.82 -3.22 114.93 114.22 1x5p h MET 59 Ca -0.39 0.00 0.02 0.00 -0.00 0.00 0.00 59.70 59.33 1x5p h MET 59 Cb 1.20 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 32.78 1x5p h MET 59 CO 0.57 0.86 0.29 1.05 -0.00 0.00 0.00 176.91 179.68 1x5p h GLU 60 N 0.00 0.51 -0.21 -0.10 4.11 -1.87 -1.77 114.58 115.25 1x5p h GLU 60 Ca -0.01 -0.03 -0.16 0.00 0.07 0.00 0.00 59.36 59.23 1x5p h GLU 60 Cb 1.56 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.69 1x5p h GLU 60 CO 0.11 0.34 -0.53 0.77 0.07 0.00 0.00 179.01 179.77 1x5p h SER 61 N 0.52 0.66 -0.06 3.06 0.02 -1.90 -2.59 113.55 113.27 1x5p h SER 61 Ca 0.17 -0.34 0.04 0.00 -0.84 0.00 0.00 61.79 60.82 1x5p h SER 61 Cb 0.04 -0.19 -0.05 0.00 0.14 0.00 0.00 62.40 62.34 1x5p h SER 61 CO -0.04 1.06 -0.25 0.00 -1.14 0.00 0.00 176.83 176.46 1x5p h ALA 62 N 0.96 -0.29 -0.19 3.77 0.00 -1.39 0.30 119.26 122.42 1x5p h ALA 62 Ca 0.01 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1x5p h ALA 62 Cb 1.07 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 19.31 1x5p h ALA 62 CO 0.10 -0.73 0.05 0.38 0.00 0.00 0.00 179.25 179.05 1x5p h ASP 63 N -0.35 0.28 0.09 0.00 3.04 -1.57 -2.59 116.42 115.33 1x5p h ASP 63 Ca 0.08 -0.22 0.01 0.00 -3.24 0.00 0.00 57.03 53.65 1x5p h ASP 63 Cb 0.46 -0.07 -0.03 0.00 -1.04 0.00 0.00 39.33 38.66 1x5p h ASP 63 CO -0.26 0.43 -0.30 1.56 -2.04 0.00 0.00 179.24 178.63 1x5p h GLN 64 N 0.12 -0.43 -0.30 4.15 4.20 -1.14 -0.52 115.11 121.19 1x5p h GLN 64 Ca 0.06 0.03 0.04 0.00 0.06 0.00 0.00 58.65 58.84 1x5p h GLN 64 Cb 0.26 0.10 -0.06 0.00 0.30 0.00 0.00 27.48 28.07 1x5p h GLN 64 CO -0.00 -0.29 -0.45 0.00 -0.67 0.00 0.00 178.83 177.42 1x5p h ALA 65 N -1.01 -0.70 -0.02 3.87 0.00 -1.00 0.67 119.26 121.07 1x5p h ALA 65 Ca -0.01 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1x5p h ALA 65 Cb 0.44 1.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.26 1x5p h ALA 65 CO -0.15 -0.91 0.45 0.28 0.00 0.00 0.00 179.25 178.92 1x5p h VAL 66 N -0.34 0.01 0.10 0.00 2.07 -1.33 1.60 116.25 118.36 1x5p h VAL 66 Ca 0.05 0.00 -0.32 0.00 0.82 0.00 0.00 66.70 67.25 1x5p h VAL 66 Cb 0.49 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 1x5p h VAL 66 CO -0.47 0.00 -1.70 0.00 0.02 0.00 0.00 177.57 175.42 1x5p h ALA 67 N 1.12 0.41 0.00 1.67 0.00 0.19 -3.28 119.26 119.38 1x5p h ALA 67 Ca 0.01 -1.26 -0.08 0.00 0.00 0.00 0.00 54.91 53.58 1x5p h ALA 67 Cb 0.91 0.44 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 1x5p h ALA 67 CO -0.00 1.27 -1.17 0.39 0.00 0.00 0.00 179.25 179.74 1x5p n GLU 68 N -3.38 0.53 0.30 0.00 -0.58 0.13 -4.37 120.64 113.27 1x5p n GLU 68 Ca -0.21 0.28 0.17 0.00 -0.42 0.00 0.00 57.16 56.99 1x5p n GLU 68 Cb 1.05 -1.49 0.89 0.00 -0.57 0.00 0.00 31.44 31.31 1x5p n GLU 68 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1x5p h LEU 69 N -1.00 0.00 -9.26 -4.62 3.38 0.18 -3.35 115.31 100.63 1x5p h LEU 69 Ca -0.12 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.30 1x5p h LEU 69 Cb 1.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.78 1x5p h LEU 69 CO -0.07 0.00 1.20 0.21 0.09 0.00 0.00 178.44 179.87 1x5p s ASN 70 N -4.75 6.42 -0.48 -0.43 3.84 -1.19 -1.56 114.94 116.79 1x5p s ASN 70 Ca -0.04 2.37 0.00 0.00 0.21 0.00 0.00 52.86 55.40 1x5p s ASN 70 Cb 0.11 -2.53 0.00 0.00 -0.55 0.00 0.00 41.25 38.28 1x5p s ASN 70 CO 0.35 -1.12 0.00 0.61 -2.79 0.00 0.00 177.10 174.15 1x5p n GLY 71 N 4.54 0.56 3.82 1.21 0.00 -1.03 -4.96 105.19 109.33 1x5p n GLY 71 Ca 0.20 -0.10 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 1x5p n GLY 71 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1x5p s THR 72 N -1.67 4.06 -0.43 2.61 -1.32 -0.60 -4.83 115.64 113.46 1x5p s THR 72 Ca 0.00 0.74 0.04 0.00 -1.21 0.00 0.00 61.69 61.26 1x5p s THR 72 Cb 0.00 -3.45 0.12 0.00 -1.51 0.00 0.00 72.50 67.66 1x5p s THR 72 CO 0.00 -0.80 0.16 -1.58 -2.21 0.00 0.00 174.62 170.18 1x5p s GLN 73 N -4.82 1.68 -0.03 7.08 0.74 -1.26 -0.70 119.66 122.36 1x5p s GLN 73 Ca 0.59 -2.21 0.03 0.00 0.05 0.00 0.00 55.36 53.82 1x5p s GLN 73 Cb -0.14 -3.19 -0.03 0.00 1.10 0.00 0.00 33.01 30.75 1x5p s GLN 73 CO 0.50 -1.03 -0.10 0.14 -0.55 0.00 0.00 175.29 174.26 1x5p s VAL 74 N 0.35 3.45 -1.54 1.34 -7.23 -0.76 -4.59 120.40 111.41 1x5p s VAL 74 Ca 0.14 -0.70 -0.14 0.00 -1.81 0.00 0.00 61.98 59.47 1x5p s VAL 74 Cb -0.22 -2.43 0.10 0.00 0.56 0.00 0.00 36.38 34.38 1x5p s VAL 74 CO -0.04 0.51 0.90 -0.62 -0.31 0.00 0.00 175.10 175.53 1x5p n GLU 75 N 1.96 -4.96 -2.32 4.82 -0.58 -1.26 0.08 120.64 118.38 1x5p n GLU 75 Ca -0.17 0.56 -0.20 0.00 -0.42 0.00 0.00 57.16 56.94 1x5p n GLU 75 Cb 0.53 -5.41 -0.02 0.00 -0.57 0.00 0.00 31.44 25.96 1x5p n GLU 75 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1x5p n SER 76 N -2.74 -5.56 -3.70 1.62 7.64 -1.26 -4.96 113.62 104.65 1x5p n SER 76 Ca 0.04 0.06 -0.22 0.00 1.01 0.00 0.00 58.87 59.76 1x5p n SER 76 Cb 0.52 -4.67 -0.18 0.00 -1.01 0.00 0.00 64.21 58.88 1x5p n SER 76 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1x5p s VAL 77 N -2.94 0.10 -0.31 0.44 1.01 0.11 -5.02 120.40 113.78 1x5p s VAL 77 Ca 0.00 0.19 -0.29 0.00 0.00 0.00 0.00 61.98 61.88 1x5p s VAL 77 Cb 0.00 -0.39 -0.02 0.00 0.00 0.00 0.00 36.38 35.97 1x5p s VAL 77 CO 0.00 0.12 1.69 -1.10 0.00 0.00 0.00 175.10 175.81 1x5p s GLN 78 N 2.08 3.51 -0.11 2.72 -0.21 -1.26 -1.82 119.66 124.56 1x5p s GLN 78 Ca 0.04 1.43 -0.14 0.00 0.02 0.00 0.00 55.36 56.71 1x5p s GLN 78 Cb -0.13 -4.12 -0.05 0.00 1.00 0.00 0.00 33.01 29.71 1x5p s GLN 78 CO -0.05 -1.65 0.34 -0.51 -2.12 0.00 0.00 175.29 171.30 1x5p s LEU 79 N 6.16 4.31 -0.34 2.90 1.43 0.13 -4.72 118.68 128.56 1x5p s LEU 79 Ca 0.75 0.66 -0.02 0.00 -1.03 0.00 0.00 54.13 54.48 1x5p s LEU 79 Cb -0.22 -2.45 0.07 0.00 0.03 0.00 0.00 46.19 43.62 1x5p s LEU 79 CO 0.32 0.16 0.07 -0.54 0.23 0.00 0.00 176.35 176.59 1x5p s LYS 80 N 0.04 2.28 0.07 1.70 1.02 -0.77 -2.46 119.74 121.62 1x5p s LYS 80 Ca 0.20 -1.45 0.03 0.00 0.02 0.00 0.00 55.97 54.77 1x5p s LYS 80 Cb -0.14 -3.32 -0.04 0.00 -0.52 0.00 0.00 37.83 33.81 1x5p s LYS 80 CO 0.07 -0.77 0.08 0.08 -0.92 0.00 0.00 175.35 173.89 1x5p s VAL 81 N 1.22 4.54 -0.04 3.17 1.01 -1.26 -0.29 120.40 128.75 1x5p s VAL 81 Ca -0.00 -0.74 -0.19 0.00 0.00 0.00 0.00 61.98 61.05 1x5p s VAL 81 Cb -0.21 -3.17 0.04 0.00 0.00 0.00 0.00 36.38 33.04 1x5p s VAL 81 CO -0.02 0.15 0.43 0.20 0.00 0.00 0.00 175.10 175.86 1x5p s ASN 82 N -2.32 -0.35 -0.74 3.32 -0.87 0.12 -4.66 114.94 109.44 1x5p s ASN 82 Ca 0.29 0.33 -0.26 0.00 -1.57 0.00 0.00 52.86 51.65 1x5p s ASN 82 Cb -0.12 0.43 -0.04 0.00 -0.02 0.00 0.00 41.25 41.50 1x5p s ASN 82 CO 0.21 -0.47 1.95 -0.63 -2.57 0.00 0.00 177.10 175.59 1x5p s ILE 83 N -1.16 3.36 -0.57 0.60 -1.09 -1.26 0.39 121.20 121.47 1x5p s ILE 83 Ca -0.12 -0.06 -0.34 0.00 -2.23 0.00 0.00 60.65 57.90 1x5p s ILE 83 Cb -0.04 -3.89 -0.17 0.00 -1.58 0.00 0.00 42.46 36.79 1x5p s ILE 83 CO 0.06 -0.85 1.99 0.00 -1.23 0.00 0.00 174.94 174.91 1x5p n ALA 84 N 13.68 0.21 0.30 9.38 0.00 -1.24 -4.73 120.51 138.12 1x5p n ALA 84 Ca 0.31 0.03 0.18 0.00 0.00 0.00 0.00 53.44 53.96 1x5p n ALA 84 Cb 0.50 -1.83 0.83 0.00 0.00 0.00 0.00 19.45 18.94 1x5p n ALA 84 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 1x5p h ARG 85 N 8.56 0.00 -3.61 0.00 -0.00 -1.93 -3.33 114.38 114.06 1x5p h ARG 85 Ca -0.07 0.00 -0.78 0.00 -0.00 0.00 0.00 59.98 59.13 1x5p h ARG 85 Cb 1.18 0.00 -0.29 0.00 -0.00 0.00 0.00 29.97 30.87 1x5p h ARG 85 CO 1.02 0.00 0.23 0.21 -0.00 0.00 0.00 179.97 181.43 1x5p s LYS 86 N -3.77 3.82 -0.61 0.08 2.47 -1.26 -4.95 119.74 115.52 1x5p s LYS 86 Ca -0.01 -2.97 0.04 0.00 -1.56 0.00 0.00 55.97 51.47 1x5p s LYS 86 Cb 0.10 -4.40 0.16 0.00 -1.46 0.00 0.00 37.83 32.23 1x5p s LYS 86 CO 0.44 -1.25 0.40 -0.65 0.16 0.00 0.00 175.35 174.45 1x5p s GLN 87 N -0.80 2.14 1.21 4.03 -0.21 -1.25 -5.09 119.66 119.69 1x5p s GLN 87 Ca 0.26 -2.97 -0.20 0.00 0.02 0.00 0.00 55.36 52.47 1x5p s GLN 87 Cb -0.10 -3.19 0.30 0.00 1.00 0.00 0.00 33.01 31.02 1x5p s GLN 87 CO -0.09 -1.23 1.08 -0.35 -2.12 0.00 0.00 175.29 172.58 1x5p n PRO 88 N 2.47 -3.12 -2.31 2.91 -0.04 -1.26 -4.95 135.00 128.70 1x5p n PRO 88 Ca 0.15 -1.73 -0.43 0.00 -0.04 0.00 0.00 63.50 61.46 1x5p n PRO 88 Cb 0.35 -1.62 -0.02 0.00 -0.04 0.00 0.00 33.50 32.17 1x5p n PRO 88 CO 0.00 0.00 0.00 1.41 -0.04 0.00 0.00 175.50 176.87 1x5p s MET 89 N -5.45 4.22 0.05 0.54 1.75 -1.26 -4.96 119.30 114.20 1x5p s MET 89 Ca 0.70 1.81 -0.30 0.00 -1.25 0.00 0.00 55.69 56.64 1x5p s MET 89 Cb -0.07 -3.81 -0.08 0.00 2.84 0.00 0.00 34.83 33.71 1x5p s MET 89 CO 0.54 -0.73 1.79 -0.51 -0.65 0.00 0.00 175.02 175.45 1x5p s LEU 90 N 3.56 4.39 -0.18 4.11 1.02 -1.26 -4.98 118.68 125.34 1x5p s LEU 90 Ca 0.60 2.56 -0.02 0.00 0.02 0.00 0.00 54.13 57.28 1x5p s LEU 90 Cb -0.25 -3.55 0.05 0.00 0.02 0.00 0.00 46.19 42.46 1x5p s LEU 90 CO 0.19 -0.97 0.01 -1.81 0.02 0.00 0.00 176.35 173.79 1x5p s ASP 91 N 3.26 2.85 0.11 2.29 1.01 -1.26 -5.03 116.67 119.91 1x5p s ASP 91 Ca 0.80 -0.75 -0.27 0.00 0.71 0.00 0.00 52.55 53.04 1x5p s ASP 91 Cb -0.41 -0.70 -0.09 0.00 1.01 0.00 0.00 42.92 42.73 1x5p s ASP 91 CO 0.35 -0.26 1.64 -1.28 0.21 0.00 0.00 175.17 175.83 1x5p h SER 92 N 8.20 -0.71 -2.80 0.27 0.87 -2.01 -3.46 113.55 113.91 1x5p h SER 92 Ca -0.18 0.08 0.21 0.00 -1.23 0.00 0.00 61.79 60.67 1x5p h SER 92 Cb 1.11 0.27 -0.29 0.00 -0.44 0.00 0.00 62.40 63.05 1x5p h SER 92 CO 0.35 -0.34 0.90 -0.83 -0.53 0.00 0.00 176.83 176.37 1x5p s GLY 93 N -2.41 0.17 0.37 5.77 0.00 -1.26 -5.03 107.32 104.94 1x5p s GLY 93 Ca -0.16 3.06 0.16 0.00 0.00 0.00 0.00 44.72 47.78 1x5p s GLY 93 CO 0.65 1.43 1.78 -0.56 0.00 0.00 0.00 173.10 176.40 1x5p h PRO 94 N 2.53 0.00 -7.18 2.90 0.13 -2.05 -3.45 132.00 124.88 1x5p h PRO 94 Ca -0.16 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.45 1x5p h PRO 94 Cb 1.19 0.00 0.13 0.00 0.13 0.00 0.00 31.00 32.45 1x5p h PRO 94 CO 0.21 0.39 0.39 0.45 -0.23 0.00 0.00 178.00 179.21 1x5p s SER 95 N -6.64 4.70 -0.31 1.44 0.15 -1.26 -5.01 113.70 106.77 1x5p s SER 95 Ca -0.01 2.21 -0.03 0.00 0.70 0.00 0.00 55.95 58.81 1x5p s SER 95 Cb 0.13 -2.57 0.04 0.00 -1.71 0.00 0.00 66.02 61.91 1x5p s SER 95 CO 0.70 -1.91 0.03 -0.44 1.20 0.00 0.00 173.24 172.82 1x5p s SER 96 N -2.20 5.01 0.00 5.45 0.01 -1.26 -5.15 113.70 115.56 1x5p s SER 96 Ca 0.71 -1.19 0.00 0.00 1.31 0.00 0.00 55.95 56.78 1x5p s SER 96 Cb -0.25 -1.77 0.00 0.00 0.21 0.00 0.00 66.02 64.21 1x5p s SER 96 CO 0.42 -0.27 0.00 0.61 0.41 0.00 0.00 173.24 174.41