#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 6.61 -0.33 1.61 0.01 -1.26 -4.96 113.70 115.39 1x5p s SER 2 Ca 0.00 -1.78 -0.12 0.00 1.31 0.00 0.00 55.95 55.36 1x5p s SER 2 Cb 0.00 -2.56 -0.02 0.00 0.21 0.00 0.00 66.02 63.66 1x5p s SER 2 CO 0.00 -1.37 0.21 -0.44 0.41 0.00 0.00 173.24 172.04 1x5p s SER 3 N 4.64 5.88 0.00 2.44 0.01 -1.26 -4.89 113.70 120.51 1x5p s SER 3 Ca 0.47 -0.44 0.00 0.00 1.31 0.00 0.00 55.95 57.29 1x5p s SER 3 Cb 0.01 -2.09 0.00 0.00 0.21 0.00 0.00 66.02 64.15 1x5p s SER 3 CO -0.05 -0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.00 1x5p n GLY 4 N 5.06 -0.17 0.68 3.44 0.00 -1.26 -5.04 105.19 107.90 1x5p n GLY 4 Ca -0.13 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.78 1x5p n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x5p n SER 5 N -2.47 0.79 -2.85 1.61 7.64 -1.26 -5.04 113.62 112.04 1x5p n SER 5 Ca 0.00 0.13 -0.17 0.00 1.01 0.00 0.00 58.87 59.85 1x5p n SER 5 Cb 0.00 -0.32 0.06 0.00 -1.01 0.00 0.00 64.21 62.94 1x5p n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1x5p n SER 6 N -3.50 -4.37 0.00 6.43 2.88 -1.26 -4.76 113.62 109.03 1x5p n SER 6 Ca -0.19 -0.43 0.00 0.00 -1.33 0.00 0.00 58.87 56.92 1x5p n SER 6 Cb 0.61 -3.96 0.00 0.00 -0.75 0.00 0.00 64.21 60.11 1x5p n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x5p n GLY 7 N -1.49 0.40 2.34 0.46 0.00 -1.26 -5.04 105.19 100.59 1x5p n GLY 7 Ca -0.06 -1.48 -0.10 0.00 0.00 0.00 0.00 46.02 44.38 1x5p n GLY 7 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1x5p n GLU 8 N 0.00 -3.36 -3.51 1.61 4.07 -1.26 -5.00 120.64 113.19 1x5p n GLU 8 Ca 0.00 0.36 -0.42 0.00 -0.06 0.00 0.00 57.16 57.04 1x5p n GLU 8 Cb 0.00 -3.97 -0.07 0.00 -0.06 0.00 0.00 31.44 27.34 1x5p n GLU 8 CO 0.00 0.00 0.00 0.50 -0.06 0.00 0.00 177.13 177.57 1x5p s ARG 9 N -5.37 2.75 0.28 5.31 3.52 -1.26 -4.91 118.95 119.28 1x5p s ARG 9 Ca 0.20 -1.99 0.10 0.00 -0.13 0.00 0.00 55.73 53.92 1x5p s ARG 9 Cb -0.09 -4.04 0.39 0.00 -1.56 0.00 0.00 34.95 29.65 1x5p s ARG 9 CO 0.32 -1.23 1.63 0.00 -0.81 0.00 0.00 175.30 175.21 1x5p h ARG 10 N 8.19 0.01 -1.81 5.12 3.08 -2.08 -3.46 114.38 123.44 1x5p h ARG 10 Ca -0.14 -0.01 0.08 0.00 0.07 0.00 0.00 59.98 59.98 1x5p h ARG 10 Cb 1.05 0.00 -0.20 0.00 0.08 0.00 0.00 29.97 30.90 1x5p h ARG 10 CO 0.85 0.60 0.51 0.00 -1.07 0.00 0.00 179.97 180.85 1x5p s ALA 11 N -3.68 -1.89 1.13 0.04 0.00 -1.26 -5.18 121.76 110.92 1x5p s ALA 11 Ca -0.02 1.40 -0.17 0.00 0.00 0.00 0.00 51.96 53.17 1x5p s ALA 11 Cb 0.13 -0.31 0.25 0.00 0.00 0.00 0.00 23.12 23.19 1x5p s ALA 11 CO 0.76 -0.43 1.10 -1.25 0.00 0.00 0.00 175.76 175.94 1x5p s PRO 12 N -1.74 -0.63 -0.15 0.00 0.04 -1.26 -5.03 135.00 126.23 1x5p s PRO 12 Ca -0.00 0.15 -0.02 0.00 0.04 0.00 0.00 61.00 61.17 1x5p s PRO 12 Cb -0.01 -1.65 -0.09 0.00 0.04 0.00 0.00 34.50 32.80 1x5p s PRO 12 CO -0.01 -3.36 -0.15 -2.13 0.04 0.00 0.00 177.00 171.39 1x5p n ARG 13 N -4.55 0.35 -2.71 4.56 0.63 -1.26 -5.03 116.66 108.65 1x5p n ARG 13 Ca 0.10 0.10 -0.27 0.00 -0.92 0.00 0.00 57.85 56.86 1x5p n ARG 13 Cb 0.59 -1.21 -0.00 0.00 0.45 0.00 0.00 32.46 32.28 1x5p n ARG 13 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 1x5p s LYS 14 N -2.29 3.55 0.00 -0.14 -0.14 -1.26 -4.58 119.74 114.89 1x5p s LYS 14 Ca -0.20 0.18 0.00 0.00 -1.36 0.00 0.00 55.97 54.59 1x5p s LYS 14 Cb 0.06 -2.40 0.00 0.00 -1.68 0.00 0.00 37.83 33.81 1x5p s LYS 14 CO 0.31 -0.16 0.00 0.41 -0.76 0.00 0.00 175.35 175.15 1x5p n GLY 15 N -2.14 1.92 0.54 -3.33 0.00 -1.26 -5.03 105.19 95.89 1x5p n GLY 15 Ca 0.00 -0.69 -0.14 0.00 0.00 0.00 0.00 46.02 45.19 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 0.00 1.13 -4.88 1.61 6.94 -1.26 -4.09 115.26 114.70 1x5p n ASN 16 Ca 0.00 0.14 -0.30 0.00 -0.02 0.00 0.00 54.58 54.41 1x5p n ASN 16 Cb 0.00 -0.38 -0.03 0.00 -2.36 0.00 0.00 39.78 37.02 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 -2.24 4.84 -0.04 5.53 2.01 -1.26 -1.60 115.64 122.87 1x5p s THR 17 Ca -0.19 0.49 0.00 0.00 0.31 0.00 0.00 61.69 62.31 1x5p s THR 17 Cb 0.07 -3.75 0.02 0.00 0.01 0.00 0.00 72.50 68.86 1x5p s THR 17 CO 0.24 -0.52 -0.02 -0.76 -0.69 0.00 0.00 174.62 172.87 1x5p s LEU 18 N -3.89 1.16 -0.60 4.42 1.43 0.21 -3.84 118.68 117.57 1x5p s LEU 18 Ca 0.50 -0.07 -0.28 0.00 -1.03 0.00 0.00 54.13 53.25 1x5p s LEU 18 Cb -0.10 -0.33 0.03 0.00 0.03 0.00 0.00 46.19 45.82 1x5p s LEU 18 CO 0.32 -0.09 1.18 -0.47 0.23 0.00 0.00 176.35 177.52 1x5p s TYR 19 N 1.09 2.58 -0.12 0.29 6.14 0.85 -2.05 117.35 126.12 1x5p s TYR 19 Ca -0.09 0.30 -0.05 0.00 0.64 0.00 0.00 57.07 57.87 1x5p s TYR 19 Cb -0.14 -4.49 -0.04 0.00 0.42 0.00 0.00 41.96 37.71 1x5p s TYR 19 CO -0.01 -1.64 0.07 0.08 0.64 0.00 0.00 175.55 174.69 1x5p s VAL 20 N 4.97 4.90 -0.12 3.14 1.01 0.87 -0.31 120.40 134.86 1x5p s VAL 20 Ca 0.41 -0.01 -0.04 0.00 0.00 0.00 0.00 61.98 62.34 1x5p s VAL 20 Cb -0.08 -3.13 0.06 0.00 0.00 0.00 0.00 36.38 33.23 1x5p s VAL 20 CO 0.23 0.57 0.15 -0.47 0.00 0.00 0.00 175.10 175.59 1x5p s TYR 21 N -0.61 -0.12 0.00 5.22 5.04 0.98 0.81 117.35 128.66 1x5p s TYR 21 Ca 0.11 0.35 0.00 0.00 -2.44 0.00 0.00 57.07 55.09 1x5p s TYR 21 Cb -0.12 -0.37 0.00 0.00 0.35 0.00 0.00 41.96 41.82 1x5p s TYR 21 CO 0.02 -0.37 0.00 0.41 -1.34 0.00 0.00 175.55 174.27 1x5p n GLY 22 N 5.31 5.27 1.19 8.97 0.00 -1.18 0.62 105.19 125.36 1x5p n GLY 22 Ca -0.05 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.49 1x5p n GLY 22 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1x5p n GLU 23 N 0.00 0.00 -2.01 1.61 1.02 -1.26 -4.88 120.64 115.12 1x5p n GLU 23 Ca 0.00 0.00 -0.37 0.00 -0.02 0.00 0.00 57.16 56.77 1x5p n GLU 23 Cb 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 31.44 31.45 1x5p n GLU 23 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1x5p n ASP 24 N -2.06 7.00 -4.63 1.62 9.92 -1.26 -4.98 116.55 122.16 1x5p n ASP 24 Ca 0.00 -3.82 -0.32 0.00 -0.53 0.00 0.00 54.79 50.13 1x5p n ASP 24 Cb 0.00 -0.95 -0.09 0.00 -0.64 0.00 0.00 41.12 39.44 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 -3.97 2.57 0.21 -1.24 0.23 -1.26 -4.92 119.30 110.92 1x5p s MET 25 Ca 0.52 -0.74 0.12 0.00 -1.03 0.00 0.00 55.69 54.55 1x5p s MET 25 Cb 0.43 -2.53 -0.05 0.00 -1.53 0.00 0.00 34.83 31.16 1x5p s MET 25 CO -0.36 0.59 -0.23 0.95 -2.03 0.00 0.00 175.02 173.94 1x5p s THR 26 N -1.10 2.39 0.26 3.16 -4.23 -1.26 -5.02 115.64 109.83 1x5p s THR 26 Ca 0.20 -2.11 -0.03 0.00 -1.18 0.00 0.00 61.69 58.56 1x5p s THR 26 Cb -0.11 -2.17 0.26 0.00 1.34 0.00 0.00 72.50 71.82 1x5p s THR 26 CO 0.11 -0.18 1.67 -0.65 -0.54 0.00 0.00 174.62 175.03 1x5p h PRO 27 N 2.99 0.24 0.00 3.99 0.11 -2.00 0.32 132.00 137.66 1x5p h PRO 27 Ca -0.45 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.60 1x5p h PRO 27 Cb 1.22 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 1x5p h PRO 27 CO 0.51 0.16 -0.23 1.15 -0.21 0.00 0.00 178.00 179.37 1x5p h THR 28 N 0.24 1.15 0.02 -1.15 2.02 -2.00 -2.69 112.91 110.50 1x5p h THR 28 Ca 0.45 -0.79 -0.00 0.00 0.77 0.00 0.00 66.41 66.84 1x5p h THR 28 Cb 0.82 1.43 0.00 0.00 -1.74 0.00 0.00 68.15 68.65 1x5p h THR 28 CO -0.56 0.22 -0.01 0.25 0.37 0.00 0.00 175.52 175.79 1x5p h LEU 29 N 0.00 -0.02 -1.85 2.58 6.46 -0.80 -3.13 115.31 118.55 1x5p h LEU 29 Ca -0.00 -0.51 0.11 0.00 -0.12 0.00 0.00 57.88 57.35 1x5p h LEU 29 Cb 0.41 0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 40.32 1x5p h LEU 29 CO 0.03 0.51 0.33 -0.07 -0.62 0.00 0.00 178.44 178.62 1x5p h LEU 30 N -0.57 0.15 -1.02 2.25 3.38 -1.14 0.05 115.31 118.41 1x5p h LEU 30 Ca -0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1x5p h LEU 30 Cb 0.54 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 1x5p h LEU 30 CO 0.00 0.09 0.25 0.03 0.09 0.00 0.00 178.44 178.90 1x5p h ARG 31 N 0.17 0.95 0.00 1.13 3.08 -1.43 0.43 114.38 118.71 1x5p h ARG 31 Ca 0.23 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 60.12 1x5p h ARG 31 Cb 0.67 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.56 1x5p h ARG 31 CO -0.03 0.78 -0.62 0.41 -1.07 0.00 0.00 179.97 179.44 1x5p n GLY 32 N -0.97 -1.27 0.10 0.04 0.00 -0.17 -2.49 105.19 100.42 1x5p n GLY 32 Ca 0.06 -0.34 -0.10 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.62 1.47 0.65 4.61 0.00 -0.19 -4.27 120.51 121.16 1x5p n ALA 33 Ca 0.04 -1.07 0.11 0.00 0.00 0.00 0.00 53.44 52.53 1x5p n ALA 33 Cb 0.37 -0.47 -0.01 0.00 0.00 0.00 0.00 19.45 19.35 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 -2.92 0.16 -0.10 0.00 3.01 0.15 -4.27 117.46 113.49 1x5p n PHE 34 Ca -0.27 0.05 -0.10 0.00 1.01 0.00 0.00 57.45 58.14 1x5p n PHE 34 Cb 1.10 -0.33 -0.03 0.00 -0.01 0.00 0.00 39.48 40.21 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 0.44 -0.56 4.37 0.87 -1.64 -2.68 113.55 114.35 1x5p h SER 35 Ca 0.00 -0.21 0.16 0.00 -1.23 0.00 0.00 61.79 60.51 1x5p h SER 35 Cb 0.68 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.51 1x5p h SER 35 CO 0.00 0.53 0.73 -0.65 -0.53 0.00 0.00 176.83 176.91 1x5p h PRO 36 N 0.33 0.00 0.13 2.24 0.11 -1.77 0.34 132.00 133.37 1x5p h PRO 36 Ca 0.10 0.00 -0.34 0.00 0.11 0.00 0.00 66.00 65.87 1x5p h PRO 36 Cb 0.25 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.35 1x5p h PRO 36 CO -0.00 0.00 -1.77 0.74 -0.21 0.00 0.00 178.00 176.76 1x5p h PHE 37 N 0.00 0.48 0.00 0.65 0.04 -1.74 -3.50 116.94 112.86 1x5p h PHE 37 Ca 0.26 -0.35 0.00 0.00 2.80 0.00 0.00 57.97 60.68 1x5p h PHE 37 Cb 1.71 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 39.84 1x5p h PHE 37 CO 0.00 1.55 0.00 0.41 -0.60 0.00 0.00 178.31 179.67 1x5p n GLY 38 N 1.81 0.98 3.75 -1.45 0.00 0.12 -4.87 105.19 105.53 1x5p n GLY 38 Ca -0.24 -0.17 -0.35 0.00 0.00 0.00 0.00 46.02 45.27 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 5.60 -0.32 1.61 2.47 -1.26 -4.28 114.94 120.75 1x5p s ASN 39 Ca 0.00 0.22 -0.11 0.00 0.42 0.00 0.00 52.86 53.39 1x5p s ASN 39 Cb 0.00 -1.65 -0.01 0.00 -1.45 0.00 0.00 41.25 38.15 1x5p s ASN 39 CO 0.00 0.36 0.18 -0.63 -3.72 0.00 0.00 177.10 173.30 1x5p s ILE 40 N -0.99 4.82 -0.10 -5.21 1.01 -1.26 -3.06 121.20 116.41 1x5p s ILE 40 Ca 0.16 -0.38 0.18 0.00 0.00 0.00 0.00 60.65 60.61 1x5p s ILE 40 Cb -0.12 -3.48 -0.27 0.00 0.01 0.00 0.00 42.46 38.61 1x5p s ILE 40 CO 0.05 0.02 0.26 2.30 0.00 0.00 0.00 174.94 177.57 1x5p n ILE 41 N 5.02 0.59 -3.56 2.92 -5.35 -1.05 -4.87 119.36 113.06 1x5p n ILE 41 Ca -0.13 -0.60 -0.26 0.00 -0.27 0.00 0.00 62.75 61.49 1x5p n ILE 41 Cb 0.49 -0.22 -0.15 0.00 -1.74 0.00 0.00 39.64 38.02 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 -4.72 2.60 -0.22 7.28 -1.08 -1.25 -4.99 116.67 114.28 1x5p s ASP 42 Ca -0.08 -0.80 -0.01 0.00 -0.52 0.00 0.00 52.55 51.13 1x5p s ASP 42 Cb 0.09 -0.16 0.06 0.00 -1.46 0.00 0.00 42.92 41.45 1x5p s ASP 42 CO 0.78 -0.38 0.00 -0.22 0.52 0.00 0.00 175.17 175.88 1x5p s LEU 43 N 2.16 1.85 0.10 -1.34 2.96 -1.25 0.54 118.68 123.70 1x5p s LEU 43 Ca 0.05 -1.03 0.10 0.00 -0.22 0.00 0.00 54.13 53.03 1x5p s LEU 43 Cb -0.16 -0.86 -0.04 0.00 0.50 0.00 0.00 46.19 45.63 1x5p s LEU 43 CO -0.20 -0.28 -0.27 -0.44 -1.32 0.00 0.00 176.35 173.84 1x5p s SER 44 N 1.64 3.28 -0.02 3.68 0.01 -1.08 -4.97 113.70 116.25 1x5p s SER 44 Ca -0.02 -0.69 0.05 0.00 1.31 0.00 0.00 55.95 56.60 1x5p s SER 44 Cb -0.18 -0.25 -0.01 0.00 0.21 0.00 0.00 66.02 65.79 1x5p s SER 44 CO -0.08 0.21 -0.18 -0.04 0.41 0.00 0.00 173.24 173.56 1x5p s MET 45 N -1.78 1.55 -0.40 12.44 -1.94 -1.26 -1.08 119.30 126.83 1x5p s MET 45 Ca 0.13 -0.63 0.03 0.00 -1.71 0.00 0.00 55.69 53.51 1x5p s MET 45 Cb -0.10 -1.45 0.11 0.00 2.01 0.00 0.00 34.83 35.41 1x5p s MET 45 CO 0.05 0.35 0.15 -0.51 -0.01 0.00 0.00 175.02 175.04 1x5p s ASP 46 N -0.30 4.32 0.28 3.03 1.11 -0.18 -4.99 116.67 119.94 1x5p s ASP 46 Ca 0.04 -2.38 0.02 0.00 0.18 0.00 0.00 52.55 50.41 1x5p s ASP 46 Cb -0.08 -1.39 0.68 0.00 1.07 0.00 0.00 42.92 43.19 1x5p s ASP 46 CO 0.00 -0.33 1.69 -0.65 1.18 0.00 0.00 175.17 177.06 1x5p h PRO 47 N 7.24 0.35 -0.47 8.23 0.11 -1.94 0.43 132.00 145.95 1x5p h PRO 47 Ca -0.06 -0.02 0.09 0.00 0.11 0.00 0.00 66.00 66.12 1x5p h PRO 47 Cb 0.97 -0.08 -0.10 0.00 0.11 0.00 0.00 31.00 31.90 1x5p h PRO 47 CO 0.55 0.23 -0.28 -1.35 -0.21 0.00 0.00 178.00 176.95 1x5p h PRO 48 N 0.36 -0.16 -0.69 1.05 0.11 -1.95 -0.81 132.00 129.90 1x5p h PRO 48 Ca 0.53 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.65 1x5p h PRO 48 Cb 1.00 0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1x5p h PRO 48 CO -0.54 -0.11 0.00 0.54 -0.21 0.00 0.00 178.00 177.68 1x5p n ARG 49 N -5.42 3.06 -3.76 1.05 5.12 -0.75 -4.94 116.66 111.03 1x5p n ARG 49 Ca 0.03 -2.71 -0.27 0.00 -1.93 0.00 0.00 57.85 52.96 1x5p n ARG 49 Cb 0.33 -1.66 -0.04 0.00 -1.16 0.00 0.00 32.46 29.93 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 1.42 -1.92 -4.05 0.55 4.13 0.14 -4.89 115.26 110.65 1x5p n ASN 50 Ca 0.24 -0.60 -0.23 0.00 1.68 0.00 0.00 54.58 55.67 1x5p n ASN 50 Cb 0.70 -1.69 -0.04 0.00 -1.54 0.00 0.00 39.78 37.22 1x5p n ASN 50 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1x5p s ALA 52 N -2.64 -1.58 -0.32 0.00 0.00 0.24 -1.01 121.76 116.45 1x5p s ALA 52 Ca 0.06 0.42 -0.00 0.00 0.00 0.00 0.00 51.96 52.43 1x5p s ALA 52 Cb -0.00 0.77 0.10 0.00 0.00 0.00 0.00 23.12 23.99 1x5p s ALA 52 CO 0.04 -0.83 0.10 -0.06 0.00 0.00 0.00 175.76 175.01 1x5p s PHE 53 N -3.62 1.89 -0.18 0.00 0.08 -0.24 -0.09 117.98 115.82 1x5p s PHE 53 Ca 0.05 -1.88 -0.15 0.00 0.12 0.00 0.00 56.93 55.07 1x5p s PHE 53 Cb -0.02 -1.83 -0.04 0.00 -0.57 0.00 0.00 43.02 40.56 1x5p s PHE 53 CO -0.07 -0.88 0.34 0.08 -0.10 0.00 0.00 175.22 174.58 1x5p s VAL 54 N 1.49 5.26 -0.08 -0.44 1.01 -0.87 -2.63 120.40 124.14 1x5p s VAL 54 Ca 0.10 0.61 -0.01 0.00 0.00 0.00 0.00 61.98 62.69 1x5p s VAL 54 Cb -0.18 -3.67 -0.03 0.00 0.00 0.00 0.00 36.38 32.50 1x5p s VAL 54 CO -0.22 0.33 -0.03 -0.89 0.00 0.00 0.00 175.10 174.29 1x5p s THR 55 N 0.83 4.03 -0.04 3.92 2.01 0.19 -0.62 115.64 125.96 1x5p s THR 55 Ca 0.17 -0.35 0.01 0.00 0.31 0.00 0.00 61.69 61.83 1x5p s THR 55 Cb -0.14 -2.68 -0.03 0.00 0.01 0.00 0.00 72.50 69.66 1x5p s THR 55 CO 0.06 0.60 -0.02 -0.31 -0.69 0.00 0.00 174.62 174.26 1x5p s TYR 56 N -0.84 3.04 0.50 4.92 2.02 -0.63 -2.53 117.35 123.84 1x5p s TYR 56 Ca 0.13 0.08 0.34 0.00 -0.37 0.00 0.00 57.07 57.25 1x5p s TYR 56 Cb -0.11 -1.71 1.85 0.00 -0.40 0.00 0.00 41.96 41.59 1x5p s TYR 56 CO 0.02 0.42 2.20 1.49 -1.57 0.00 0.00 175.55 178.11 1x5p h GLU 57 N 4.81 0.00 -3.80 -0.62 4.57 -1.88 -3.38 114.58 114.27 1x5p h GLU 57 Ca -0.49 0.00 -0.55 0.00 -1.18 0.00 0.00 59.36 57.14 1x5p h GLU 57 Cb 1.18 0.00 -0.39 0.00 -0.16 0.00 0.00 28.75 29.38 1x5p h GLU 57 CO 0.55 0.04 -0.77 0.15 -1.18 0.00 0.00 179.01 177.80 1x5p s LYS 58 N -4.22 0.96 0.32 1.92 1.02 -1.26 -5.00 119.74 113.49 1x5p s LYS 58 Ca -0.04 -0.62 0.21 0.00 0.02 0.00 0.00 55.97 55.55 1x5p s LYS 58 Cb 0.13 -2.27 1.10 0.00 -0.52 0.00 0.00 37.83 36.27 1x5p s LYS 58 CO 0.51 -0.64 1.20 0.00 -0.92 0.00 0.00 175.35 175.50 1x5p n MET 59 N 4.92 -0.03 -0.29 1.68 0.00 -1.26 0.18 117.12 122.32 1x5p n MET 59 Ca -0.10 0.99 0.13 0.00 0.00 0.00 0.00 57.70 58.73 1x5p n MET 59 Cb 0.46 -1.89 0.25 0.00 0.00 0.00 0.00 33.22 32.04 1x5p n MET 59 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 1x5p n GLU 60 N -4.41 -0.07 -0.09 3.17 1.02 -1.26 0.14 120.64 119.13 1x5p n GLU 60 Ca 0.30 1.27 -0.10 0.00 -0.02 0.00 0.00 57.16 58.61 1x5p n GLU 60 Cb 1.12 -2.03 -0.03 0.00 -0.02 0.00 0.00 31.44 30.48 1x5p n GLU 60 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 1x5p h SER 61 N 0.00 0.43 -0.78 1.62 0.02 -0.60 -2.85 113.55 111.39 1x5p h SER 61 Ca 0.52 -0.23 0.08 0.00 -0.84 0.00 0.00 61.79 61.31 1x5p h SER 61 Cb 1.07 -0.11 -0.10 0.00 0.14 0.00 0.00 62.40 63.40 1x5p h SER 61 CO -0.80 0.55 -0.44 0.00 -1.14 0.00 0.00 176.83 175.00 1x5p n ALA 62 N -2.31 -0.44 -0.12 3.77 0.00 0.36 0.43 120.51 122.20 1x5p n ALA 62 Ca -0.03 0.68 -0.10 0.00 0.00 0.00 0.00 53.44 53.99 1x5p n ALA 62 Cb 0.18 -0.14 -0.02 0.00 0.00 0.00 0.00 19.45 19.47 1x5p n ALA 62 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1x5p h ASP 63 N 0.00 0.54 0.14 0.00 3.58 -1.54 -2.30 116.42 116.84 1x5p h ASP 63 Ca 0.14 -0.23 -0.00 0.00 0.42 0.00 0.00 57.03 57.36 1x5p h ASP 63 Cb 0.34 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.24 1x5p h ASP 63 CO -0.74 0.63 -0.15 1.56 -2.88 0.00 0.00 179.24 177.66 1x5p h GLN 64 N 0.43 -0.28 -0.44 0.28 4.20 0.15 -0.58 115.11 118.87 1x5p h GLN 64 Ca 0.11 0.02 0.06 0.00 0.06 0.00 0.00 58.65 58.91 1x5p h GLN 64 Cb 0.29 0.06 -0.09 0.00 0.30 0.00 0.00 27.48 28.05 1x5p h GLN 64 CO 0.00 -0.18 -0.49 0.00 -0.67 0.00 0.00 178.83 177.49 1x5p h ALA 65 N -1.48 -0.57 0.00 3.87 0.00 -0.10 0.86 119.26 121.85 1x5p h ALA 65 Ca -0.02 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1x5p h ALA 65 Cb 0.25 1.01 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1x5p h ALA 65 CO -0.02 -0.94 0.27 0.28 0.00 0.00 0.00 179.25 178.83 1x5p h VAL 66 N -0.34 0.00 0.09 0.00 2.07 -1.35 1.52 116.25 118.25 1x5p h VAL 66 Ca 0.12 0.00 -0.34 0.00 0.82 0.00 0.00 66.70 67.30 1x5p h VAL 66 Cb 0.59 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 1x5p h VAL 66 CO -0.61 0.00 -1.85 0.00 0.02 0.00 0.00 177.57 175.13 1x5p h ALA 67 N 1.42 0.50 0.00 1.67 0.00 0.23 -3.31 119.26 119.77 1x5p h ALA 67 Ca 0.00 -1.37 -0.07 0.00 0.00 0.00 0.00 54.91 53.47 1x5p h ALA 67 Cb 0.53 0.59 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1x5p h ALA 67 CO 0.00 1.36 -1.13 0.39 0.00 0.00 0.00 179.25 179.86 1x5p n GLU 68 N -3.36 0.53 0.27 0.00 -0.58 0.37 -4.35 120.64 113.51 1x5p n GLU 68 Ca -0.26 0.28 0.14 0.00 -0.42 0.00 0.00 57.16 56.91 1x5p n GLU 68 Cb 1.05 -1.49 0.75 0.00 -0.57 0.00 0.00 31.44 31.18 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 -9.16 -4.62 3.38 0.18 -3.36 115.31 100.73 1x5p h LEU 69 Ca -0.11 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.31 1x5p h LEU 69 Cb 1.01 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 1x5p h LEU 69 CO -0.06 0.00 1.19 0.21 0.09 0.00 0.00 178.44 179.87 1x5p s ASN 70 N -4.26 6.34 -1.16 -0.43 3.84 -1.17 -1.92 114.94 116.19 1x5p s ASN 70 Ca -0.03 2.06 0.00 0.00 0.21 0.00 0.00 52.86 55.10 1x5p s ASN 70 Cb 0.08 -2.53 0.00 0.00 -0.55 0.00 0.00 41.25 38.25 1x5p s ASN 70 CO 0.25 -1.23 0.00 0.61 -2.79 0.00 0.00 177.10 173.94 1x5p n GLY 71 N 4.65 1.16 3.86 1.21 0.00 -1.05 -4.95 105.19 110.06 1x5p n GLY 71 Ca 0.20 -0.24 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.22 4.68 -0.46 2.61 -1.32 -0.81 -4.87 115.64 113.26 1x5p s THR 72 Ca 0.00 0.89 -0.00 0.00 -1.21 0.00 0.00 61.69 61.37 1x5p s THR 72 Cb 0.00 -3.67 0.12 0.00 -1.51 0.00 0.00 72.50 67.44 1x5p s THR 72 CO 0.00 -0.38 0.23 -1.58 -2.21 0.00 0.00 174.62 170.68 1x5p s GLN 73 N -3.45 1.99 -0.03 7.08 0.74 -1.26 -0.87 119.66 123.87 1x5p s GLN 73 Ca 0.54 -2.12 0.02 0.00 0.05 0.00 0.00 55.36 53.85 1x5p s GLN 73 Cb -0.10 -3.48 -0.03 0.00 1.10 0.00 0.00 33.01 30.49 1x5p s GLN 73 CO 0.24 -1.07 -0.06 0.14 -0.55 0.00 0.00 175.29 173.99 1x5p s VAL 74 N 0.59 3.75 -1.49 1.34 -7.23 -0.50 -4.51 120.40 112.35 1x5p s VAL 74 Ca 0.12 -0.63 0.00 0.00 -1.81 0.00 0.00 61.98 59.66 1x5p s VAL 74 Cb -0.22 -2.60 0.00 0.00 0.56 0.00 0.00 36.38 34.12 1x5p s VAL 74 CO -0.04 0.47 0.00 -0.62 -0.31 0.00 0.00 175.10 174.60 1x5p n GLU 75 N 1.79 -1.87 -1.80 4.82 -0.58 -1.26 -0.15 120.64 121.60 1x5p n GLU 75 Ca -0.16 0.84 -0.10 0.00 -0.42 0.00 0.00 57.16 57.32 1x5p n GLU 75 Cb 0.53 -5.44 -0.02 0.00 -0.57 0.00 0.00 31.44 25.94 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 -1.80 -3.76 -3.77 1.62 7.64 -1.26 -5.01 113.62 107.28 1x5p n SER 76 Ca -0.20 0.11 -0.22 0.00 1.01 0.00 0.00 58.87 59.57 1x5p n SER 76 Cb 0.64 -2.64 -0.17 0.00 -1.01 0.00 0.00 64.21 61.03 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 -2.45 0.34 -0.41 0.44 1.01 0.79 -4.97 120.40 115.15 1x5p s VAL 77 Ca 0.00 0.13 -0.29 0.00 0.00 0.00 0.00 61.98 61.82 1x5p s VAL 77 Cb 0.00 -0.49 0.02 0.00 0.00 0.00 0.00 36.38 35.91 1x5p s VAL 77 CO 0.00 0.24 1.23 -1.10 0.00 0.00 0.00 175.10 175.48 1x5p s GLN 78 N 1.85 3.76 0.02 2.72 -0.21 -1.26 -1.41 119.66 125.13 1x5p s GLN 78 Ca 0.03 0.85 -0.04 0.00 0.02 0.00 0.00 55.36 56.22 1x5p s GLN 78 Cb -0.12 -3.91 -0.04 0.00 1.00 0.00 0.00 33.01 29.93 1x5p s GLN 78 CO -0.04 -1.33 0.24 -0.51 -2.12 0.00 0.00 175.29 171.53 1x5p s LEU 79 N 4.61 4.36 -0.31 2.90 1.43 -0.05 -4.30 118.68 127.32 1x5p s LEU 79 Ca 0.53 0.44 0.03 0.00 -1.03 0.00 0.00 54.13 54.10 1x5p s LEU 79 Cb -0.11 -2.75 0.08 0.00 0.03 0.00 0.00 46.19 43.43 1x5p s LEU 79 CO 0.28 0.22 -0.01 -0.75 0.23 0.00 0.00 176.35 176.33 1x5p s LYS 80 N -2.02 1.90 -0.14 1.70 2.20 0.20 -2.53 119.74 121.05 1x5p s LYS 80 Ca 0.30 -1.61 -0.07 0.00 -0.36 0.00 0.00 55.97 54.23 1x5p s LYS 80 Cb -0.13 -3.10 -0.04 0.00 -1.51 0.00 0.00 37.83 33.05 1x5p s LYS 80 CO 0.20 -0.77 0.10 0.08 -0.36 0.00 0.00 175.35 174.59 1x5p s VAL 81 N 1.02 5.16 0.04 4.02 1.01 -1.25 -0.01 120.40 130.39 1x5p s VAL 81 Ca 0.01 0.08 -0.02 0.00 0.00 0.00 0.00 61.98 62.06 1x5p s VAL 81 Cb -0.20 -3.27 -0.03 0.00 0.00 0.00 0.00 36.38 32.89 1x5p s VAL 81 CO -0.06 0.56 0.00 0.21 0.00 0.00 0.00 175.10 175.81 1x5p s ASN 82 N -0.54 0.35 -0.82 3.32 3.84 0.58 -4.60 114.94 117.06 1x5p s ASN 82 Ca 0.12 -0.76 -0.25 0.00 0.21 0.00 0.00 52.86 52.17 1x5p s ASN 82 Cb -0.12 0.18 0.01 0.00 -0.55 0.00 0.00 41.25 40.77 1x5p s ASN 82 CO 0.02 -0.50 1.60 -0.63 -2.79 0.00 0.00 177.10 174.80 1x5p s ILE 83 N -2.98 3.63 0.06 -5.21 -1.09 -1.26 -0.11 121.20 114.24 1x5p s ILE 83 Ca -0.02 -0.11 -0.37 0.00 -2.23 0.00 0.00 60.65 57.92 1x5p s ILE 83 Cb 0.01 -4.54 -0.17 0.00 -1.58 0.00 0.00 42.46 36.19 1x5p s ILE 83 CO -0.06 -1.47 1.35 0.00 -1.23 0.00 0.00 174.94 173.52 1x5p n ALA 84 N 11.00 -1.10 -0.99 9.38 0.00 -1.25 -4.83 120.51 132.73 1x5p n ALA 84 Ca 0.23 0.52 -0.18 0.00 0.00 0.00 0.00 53.44 54.00 1x5p n ALA 84 Cb 0.50 -2.06 0.02 0.00 0.00 0.00 0.00 19.45 17.90 1x5p n ALA 84 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1x5p n ARG 85 N 2.63 1.90 -2.40 0.00 1.85 -1.26 -4.23 116.66 115.15 1x5p n ARG 85 Ca 0.19 -1.66 -0.14 0.00 -1.00 0.00 0.00 57.85 55.24 1x5p n ARG 85 Cb 0.18 -1.70 0.03 0.00 -1.05 0.00 0.00 32.46 29.92 1x5p n ARG 85 CO 0.00 0.00 0.00 0.36 -0.01 0.00 0.00 177.63 177.98 1x5p n LYS 86 N 0.50 2.75 -3.58 2.89 2.85 -1.26 -4.98 118.16 117.34 1x5p n LYS 86 Ca 0.33 -3.88 -0.40 0.00 -1.05 0.00 0.00 58.31 53.31 1x5p n LYS 86 Cb 0.58 -1.97 -0.06 0.00 -0.65 0.00 0.00 35.03 32.92 1x5p n LYS 86 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 1x5p s GLN 87 N -3.67 3.05 0.00 -1.58 -0.21 -1.26 -4.89 119.66 111.09 1x5p s GLN 87 Ca 0.40 -2.66 0.15 0.00 0.02 0.00 0.00 55.36 53.27 1x5p s GLN 87 Cb 0.37 -4.00 0.82 0.00 1.00 0.00 0.00 33.01 31.20 1x5p s GLN 87 CO -0.00 -1.22 1.38 -0.35 -2.12 0.00 0.00 175.29 172.97 1x5p n PRO 88 N 3.40 0.33 -4.98 2.91 -0.04 -1.26 -4.67 135.00 130.69 1x5p n PRO 88 Ca 0.12 0.08 -0.32 0.00 -0.04 0.00 0.00 63.50 63.35 1x5p n PRO 88 Cb 0.40 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.22 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 -2.33 2.30 0.10 0.54 1.75 -1.26 -5.13 119.30 115.26 1x5p s MET 89 Ca 0.18 -0.82 0.09 0.00 -1.25 0.00 0.00 55.69 53.89 1x5p s MET 89 Cb 0.10 -2.23 -0.04 0.00 2.84 0.00 0.00 34.83 35.50 1x5p s MET 89 CO 0.21 0.59 -0.21 -0.51 -0.65 0.00 0.00 175.02 174.45 1x5p s LEU 90 N -0.82 2.55 0.78 4.11 1.43 -1.26 -4.93 118.68 120.53 1x5p s LEU 90 Ca 0.12 -0.57 -0.11 0.00 -1.03 0.00 0.00 54.13 52.53 1x5p s LEU 90 Cb -0.10 -1.44 0.06 0.00 0.03 0.00 0.00 46.19 44.73 1x5p s LEU 90 CO 0.01 0.20 1.08 -0.62 0.23 0.00 0.00 176.35 177.26 1x5p s ASP 91 N -1.88 4.59 -0.24 2.29 2.15 -1.26 -5.08 116.67 117.25 1x5p s ASP 91 Ca 0.16 1.53 -0.27 0.00 0.43 0.00 0.00 52.55 54.39 1x5p s ASP 91 Cb -0.10 -2.29 0.14 0.00 -0.30 0.00 0.00 42.92 40.37 1x5p s ASP 91 CO 0.07 -1.93 1.12 -0.94 -0.17 0.00 0.00 175.17 173.32 1x5p s SER 92 N -3.70 -0.31 -0.24 -0.34 1.04 -1.26 -5.15 113.70 103.74 1x5p s SER 92 Ca 0.60 0.47 -0.10 0.00 0.48 0.00 0.00 55.95 57.41 1x5p s SER 92 Cb -0.15 0.43 -0.04 0.00 0.10 0.00 0.00 66.02 66.36 1x5p s SER 92 CO 0.55 -0.19 0.14 -0.83 0.98 0.00 0.00 173.24 173.89 1x5p s GLY 93 N -0.47 1.92 0.00 7.32 0.00 -1.26 -4.96 107.32 109.88 1x5p s GLY 93 Ca 0.03 -0.95 0.15 0.00 0.00 0.00 0.00 44.72 43.95 1x5p s GLY 93 CO -0.05 0.42 1.35 -1.55 0.00 0.00 0.00 173.10 173.27 1x5p n PRO 94 N 4.44 0.43 -3.58 2.90 -0.04 -1.26 -4.70 135.00 133.19 1x5p n PRO 94 Ca -0.15 0.03 -0.15 0.00 -0.04 0.00 0.00 63.50 63.19 1x5p n PRO 94 Cb 0.52 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.42 1x5p n PRO 94 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1x5p s SER 95 N -2.11 -0.65 0.08 3.54 0.01 -1.26 -5.18 113.70 108.13 1x5p s SER 95 Ca 0.22 0.99 0.07 0.00 1.31 0.00 0.00 55.95 58.54 1x5p s SER 95 Cb 0.11 0.91 -0.03 0.00 0.21 0.00 0.00 66.02 67.22 1x5p s SER 95 CO 0.19 -0.41 -0.19 -0.44 0.41 0.00 0.00 173.24 172.80 1x5p s SER 96 N -0.45 2.34 0.00 2.44 0.01 -1.26 -5.22 113.70 111.56 1x5p s SER 96 Ca -0.05 -0.61 0.00 0.00 1.31 0.00 0.00 55.95 56.60 1x5p s SER 96 Cb -0.02 -0.14 0.00 0.00 0.21 0.00 0.00 66.02 66.06 1x5p s SER 96 CO 0.04 0.07 0.00 0.61 0.41 0.00 0.00 173.24 174.37