#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 -0.03 0.46 1.61 0.01 -1.26 -5.18 113.70 109.32 1x5p s SER 2 Ca 0.00 -0.26 0.08 0.00 1.31 0.00 0.00 55.95 57.07 1x5p s SER 2 Cb 0.00 0.30 0.03 0.00 0.21 0.00 0.00 66.02 66.56 1x5p s SER 2 CO 0.00 -0.55 0.64 -0.55 0.41 0.00 0.00 173.24 173.19 1x5p s SER 3 N -1.95 5.50 -0.17 2.44 0.15 -1.26 -5.09 113.70 113.32 1x5p s SER 3 Ca -0.07 -0.46 -0.15 0.00 0.70 0.00 0.00 55.95 55.98 1x5p s SER 3 Cb -0.02 -0.49 -0.04 0.00 -1.71 0.00 0.00 66.02 63.75 1x5p s SER 3 CO -0.02 -0.92 0.33 -0.83 1.20 0.00 0.00 173.24 172.99 1x5p s GLY 4 N -4.42 2.20 -0.09 9.45 0.00 -1.26 -5.07 107.32 108.13 1x5p s GLY 4 Ca 0.57 -0.45 -0.14 0.00 0.00 0.00 0.00 44.72 44.69 1x5p s GLY 4 CO 0.35 0.54 0.35 -0.45 0.00 0.00 0.00 173.10 173.89 1x5p s SER 5 N 0.62 6.62 0.41 1.64 0.15 -1.26 -5.04 113.70 116.85 1x5p s SER 5 Ca 0.18 0.73 -0.22 0.00 0.70 0.00 0.00 55.95 57.34 1x5p s SER 5 Cb -0.14 -2.22 -0.14 0.00 -1.71 0.00 0.00 66.02 61.82 1x5p s SER 5 CO 0.05 0.20 0.32 -1.20 1.20 0.00 0.00 173.24 173.82 1x5p n SER 6 N 2.75 -1.85 0.00 5.45 7.64 -1.26 -4.92 113.62 121.42 1x5p n SER 6 Ca -0.13 0.86 0.00 0.00 1.01 0.00 0.00 58.87 60.61 1x5p n SER 6 Cb 0.52 -1.00 0.00 0.00 -1.01 0.00 0.00 64.21 62.72 1x5p n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x5p n GLY 7 N 2.06 1.78 3.06 0.23 0.00 -1.26 -5.17 105.19 105.89 1x5p n GLY 7 Ca 0.12 -0.38 -0.19 0.00 0.00 0.00 0.00 46.02 45.56 1x5p n GLY 7 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1x5p s GLU 8 N 1.82 0.80 -0.11 1.61 2.12 -1.26 -5.10 118.70 118.59 1x5p s GLU 8 Ca 0.00 -0.49 -0.29 0.00 0.36 0.00 0.00 54.97 54.55 1x5p s GLU 8 Cb 0.00 -0.77 -0.07 0.00 0.26 0.00 0.00 34.13 33.56 1x5p s GLU 8 CO 0.00 0.20 2.08 1.03 -0.54 0.00 0.00 175.26 178.03 1x5p s ARG 9 N -0.57 3.61 0.21 4.30 0.52 -1.26 -4.89 118.95 120.87 1x5p s ARG 9 Ca 0.02 2.27 -0.32 0.00 -0.52 0.00 0.00 55.73 57.18 1x5p s ARG 9 Cb -0.05 -4.26 -0.15 0.00 0.52 0.00 0.00 34.95 31.00 1x5p s ARG 9 CO 0.00 -1.56 1.19 2.89 0.02 0.00 0.00 175.30 177.84 1x5p n ARG 10 N 8.16 1.38 -2.23 3.54 1.85 -1.26 -4.92 116.66 123.19 1x5p n ARG 10 Ca 0.25 0.49 -0.34 0.00 -1.00 0.00 0.00 57.85 57.25 1x5p n ARG 10 Cb 0.43 -2.00 0.00 0.00 -1.05 0.00 0.00 32.46 29.84 1x5p n ARG 10 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1x5p s ALA 11 N -0.31 2.70 0.76 2.89 0.00 -1.26 -5.02 121.76 121.52 1x5p s ALA 11 Ca 0.70 0.70 -0.11 0.00 0.00 0.00 0.00 51.96 53.25 1x5p s ALA 11 Cb -0.78 -3.32 0.05 0.00 0.00 0.00 0.00 23.12 19.07 1x5p s ALA 11 CO 0.53 -0.75 1.09 -1.25 0.00 0.00 0.00 175.76 175.38 1x5p s PRO 12 N -3.46 2.29 -0.86 0.00 0.04 -1.26 -5.00 135.00 126.74 1x5p s PRO 12 Ca 0.70 1.19 -0.03 0.00 0.04 0.00 0.00 61.00 62.90 1x5p s PRO 12 Cb -0.21 -1.90 0.22 0.00 0.04 0.00 0.00 34.50 32.64 1x5p s PRO 12 CO 0.28 -1.62 0.75 1.03 0.04 0.00 0.00 177.00 177.49 1x5p s ARG 13 N -4.82 3.26 -0.22 4.56 0.52 -1.26 -4.99 118.95 115.99 1x5p s ARG 13 Ca 0.62 -3.10 -0.07 0.00 -0.52 0.00 0.00 55.73 52.66 1x5p s ARG 13 Cb -0.18 -4.00 0.10 0.00 0.52 0.00 0.00 34.95 31.40 1x5p s ARG 13 CO 0.55 -1.25 0.46 0.15 0.02 0.00 0.00 175.30 175.23 1x5p s LYS 14 N -1.04 0.37 0.31 3.54 1.02 -1.26 -4.86 119.74 117.83 1x5p s LYS 14 Ca 0.25 1.05 -0.15 0.00 0.02 0.00 0.00 55.97 57.15 1x5p s LYS 14 Cb -0.10 0.35 0.02 0.00 -0.52 0.00 0.00 37.83 37.58 1x5p s LYS 14 CO -0.10 -0.29 0.65 0.20 -0.92 0.00 0.00 175.35 174.89 1x5p s GLY 15 N 2.66 0.40 -0.15 -3.33 0.00 -1.26 -5.08 107.32 100.56 1x5p s GLY 15 Ca -0.00 -0.73 -0.04 0.00 0.00 0.00 0.00 44.72 43.94 1x5p s GLY 15 CO -0.14 -0.40 -0.17 1.16 0.00 0.00 0.00 173.10 173.55 1x5p n ASN 16 N -0.86 1.78 -4.87 1.64 6.94 -1.26 -4.47 115.26 114.16 1x5p n ASN 16 Ca -0.04 0.09 -0.30 0.00 -0.02 0.00 0.00 54.58 54.30 1x5p n ASN 16 Cb 0.60 -0.37 -0.03 0.00 -2.36 0.00 0.00 39.78 37.63 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 -2.28 4.77 -0.04 5.53 2.01 -1.26 -2.38 115.64 121.98 1x5p s THR 17 Ca -0.21 0.66 0.00 0.00 0.31 0.00 0.00 61.69 62.45 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 0.30 -0.59 -0.02 -0.76 -0.69 0.00 0.00 174.62 172.86 1x5p s LEU 18 N -3.99 1.14 -0.52 4.42 1.43 0.58 -3.92 118.68 117.81 1x5p s LEU 18 Ca 0.52 -0.08 -0.26 0.00 -1.03 0.00 0.00 54.13 53.28 1x5p s LEU 18 Cb -0.10 -0.36 0.03 0.00 0.03 0.00 0.00 46.19 45.79 1x5p s LEU 18 CO 0.33 -0.09 1.01 -0.47 0.23 0.00 0.00 176.35 177.36 1x5p s TYR 19 N 1.13 2.79 -0.03 0.29 6.14 0.12 -1.85 117.35 125.94 1x5p s TYR 19 Ca -0.08 0.27 0.00 0.00 0.64 0.00 0.00 57.07 57.90 1x5p s TYR 19 Cb -0.14 -4.18 -0.04 0.00 0.42 0.00 0.00 41.96 38.03 1x5p s TYR 19 CO -0.01 -1.33 0.01 0.08 0.64 0.00 0.00 175.55 174.95 1x5p s VAL 20 N 4.18 4.30 -0.01 3.14 1.01 0.79 0.08 120.40 133.89 1x5p s VAL 20 Ca 0.37 -0.45 0.00 0.00 0.00 0.00 0.00 61.98 61.90 1x5p s VAL 20 Cb -0.10 -2.89 0.01 0.00 0.00 0.00 0.00 36.38 33.40 1x5p s VAL 20 CO 0.24 0.45 0.00 -0.47 0.00 0.00 0.00 175.10 175.32 1x5p s TYR 21 N -1.04 0.14 0.00 5.22 6.14 0.98 0.62 117.35 129.40 1x5p s TYR 21 Ca 0.18 0.02 0.00 0.00 0.64 0.00 0.00 57.07 57.91 1x5p s TYR 21 Cb -0.12 -0.19 0.00 0.00 0.42 0.00 0.00 41.96 42.07 1x5p s TYR 21 CO 0.08 -0.05 0.00 0.41 0.64 0.00 0.00 175.55 176.63 1x5p n GLY 22 N 3.60 4.04 1.02 8.97 0.00 -0.42 0.52 105.19 122.91 1x5p n GLY 22 Ca -0.20 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.59 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 -2.35 1.61 1.02 -1.26 -4.75 120.64 114.90 1x5p n GLU 23 Ca 0.00 0.00 -0.23 0.00 -0.02 0.00 0.00 57.16 56.91 1x5p n GLU 23 Cb 0.00 -0.33 0.01 0.00 -0.02 0.00 0.00 31.44 31.10 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 -2.26 4.33 -4.37 1.62 8.00 -1.26 -5.04 116.55 117.58 1x5p n ASP 24 Ca 0.00 -3.55 -0.32 0.00 0.71 0.00 0.00 54.79 51.64 1x5p n ASP 24 Cb 0.12 -0.42 -0.15 0.00 -0.02 0.00 0.00 41.12 40.65 1x5p n ASP 24 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1x5p s MET 25 N -3.54 2.28 0.19 -1.24 0.23 -1.26 -4.88 119.30 111.08 1x5p s MET 25 Ca 0.46 -0.84 0.08 0.00 -1.03 0.00 0.00 55.69 54.36 1x5p s MET 25 Cb 0.40 -2.17 -0.04 0.00 -1.53 0.00 0.00 34.83 31.49 1x5p s MET 25 CO -0.08 0.57 -0.04 0.95 -2.03 0.00 0.00 175.02 174.39 1x5p s THR 26 N -0.62 3.46 0.21 3.16 -4.23 -1.26 -5.02 115.64 111.34 1x5p s THR 26 Ca 0.10 -1.61 -0.14 0.00 -1.18 0.00 0.00 61.69 58.86 1x5p s THR 26 Cb -0.10 -2.75 0.22 0.00 1.34 0.00 0.00 72.50 71.20 1x5p s THR 26 CO -0.00 -0.16 1.63 -0.65 -0.54 0.00 0.00 174.62 174.90 1x5p h PRO 27 N 2.62 0.01 -0.17 3.99 0.11 -1.99 0.24 132.00 136.81 1x5p h PRO 27 Ca -0.46 -0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.69 1x5p h PRO 27 Cb 1.21 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1x5p h PRO 27 CO 0.57 0.01 0.12 1.15 -0.21 0.00 0.00 178.00 179.64 1x5p h THR 28 N 0.01 0.93 0.14 -1.15 2.02 -2.00 -2.30 112.91 110.57 1x5p h THR 28 Ca 0.30 -0.01 -0.01 0.00 0.77 0.00 0.00 66.41 67.46 1x5p h THR 28 Cb 0.45 0.90 0.00 0.00 -1.74 0.00 0.00 68.15 67.76 1x5p h THR 28 CO -0.62 0.01 -0.07 0.25 0.37 0.00 0.00 175.52 175.46 1x5p h LEU 29 N 0.03 -0.16 -2.06 2.58 6.46 -0.94 -3.03 115.31 118.18 1x5p h LEU 29 Ca 0.08 -0.31 0.07 0.00 -0.12 0.00 0.00 57.88 57.60 1x5p h LEU 29 Cb 0.27 0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 40.24 1x5p h LEU 29 CO -0.00 0.25 0.19 -0.07 -0.62 0.00 0.00 178.44 178.19 1x5p h LEU 30 N -0.61 0.00 -0.97 2.25 3.38 -0.97 -0.13 115.31 118.24 1x5p h LEU 30 Ca -0.02 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1x5p h LEU 30 Cb 0.47 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.18 1x5p h LEU 30 CO 0.03 0.00 0.40 0.03 0.09 0.00 0.00 178.44 178.99 1x5p h ARG 31 N 0.00 1.13 0.00 1.13 3.08 -1.31 0.40 114.38 118.82 1x5p h ARG 31 Ca 0.12 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1x5p h ARG 31 Cb 0.50 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.34 1x5p h ARG 31 CO -0.00 0.85 -0.79 0.41 -1.07 0.00 0.00 179.97 179.37 1x5p n GLY 32 N -1.09 -1.21 0.09 0.04 0.00 -0.35 -2.63 105.19 100.05 1x5p n GLY 32 Ca 0.08 -0.40 -0.11 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 -1.65 1.42 0.29 4.61 0.00 -0.21 -4.23 120.51 120.74 1x5p n ALA 33 Ca 0.04 -0.90 0.11 0.00 0.00 0.00 0.00 53.44 52.69 1x5p n ALA 33 Cb 0.38 -0.63 -0.05 0.00 0.00 0.00 0.00 19.45 19.15 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 -3.04 0.35 -0.15 0.00 3.01 0.14 -4.27 117.46 113.50 1x5p n PHE 34 Ca -0.24 0.10 -0.07 0.00 1.01 0.00 0.00 57.45 58.25 1x5p n PHE 34 Cb 1.07 -0.57 0.02 0.00 -0.01 0.00 0.00 39.48 39.99 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 0.47 -1.10 4.37 0.87 -1.65 -2.40 113.55 114.12 1x5p h SER 35 Ca 0.00 -0.00 0.30 0.00 -1.23 0.00 0.00 61.79 60.86 1x5p h SER 35 Cb 0.87 -0.11 -0.09 0.00 -0.44 0.00 0.00 62.40 62.64 1x5p h SER 35 CO 0.00 0.34 0.73 -0.65 -0.53 0.00 0.00 176.83 176.72 1x5p h PRO 36 N 0.57 0.26 0.05 2.24 0.11 -1.76 0.26 132.00 133.73 1x5p h PRO 36 Ca 0.17 -0.02 -0.25 0.00 0.11 0.00 0.00 66.00 66.02 1x5p h PRO 36 Cb -0.03 -0.06 0.01 0.00 0.11 0.00 0.00 31.00 31.03 1x5p h PRO 36 CO -0.06 0.17 -1.05 0.74 -0.21 0.00 0.00 178.00 177.59 1x5p h PHE 37 N 0.27 0.63 0.00 0.65 -1.00 -1.69 -3.49 116.94 112.30 1x5p h PHE 37 Ca 0.61 -0.37 0.00 0.00 2.81 0.00 0.00 57.97 61.02 1x5p h PHE 37 Cb 1.80 -0.06 0.00 0.00 3.61 0.00 0.00 35.95 41.30 1x5p h PHE 37 CO -0.00 1.22 0.00 0.41 -1.61 0.00 0.00 178.31 178.33 1x5p n GLY 38 N 1.14 1.07 3.72 -1.45 0.00 0.90 -4.85 105.19 105.72 1x5p n GLY 38 Ca -0.08 -0.20 -0.35 0.00 0.00 0.00 0.00 46.02 45.39 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 5.54 -0.37 1.61 2.47 -1.26 -4.21 114.94 120.72 1x5p s ASN 39 Ca 0.00 0.20 -0.14 0.00 0.42 0.00 0.00 52.86 53.35 1x5p s ASN 39 Cb 0.00 -1.68 -0.00 0.00 -1.45 0.00 0.00 41.25 38.11 1x5p s ASN 39 CO 0.00 0.35 0.27 -0.63 -3.72 0.00 0.00 177.10 173.37 1x5p s ILE 40 N -0.72 5.28 -0.22 -5.21 1.01 -1.26 -2.32 121.20 117.75 1x5p s ILE 40 Ca 0.12 -0.39 0.13 0.00 0.00 0.00 0.00 60.65 60.51 1x5p s ILE 40 Cb -0.12 -3.80 -0.22 0.00 0.01 0.00 0.00 42.46 38.33 1x5p s ILE 40 CO 0.02 -0.13 -0.01 2.30 0.00 0.00 0.00 174.94 177.12 1x5p n ILE 41 N 5.13 1.43 -3.71 2.92 -5.35 -0.96 -4.87 119.36 113.94 1x5p n ILE 41 Ca -0.12 -0.77 -0.28 0.00 -0.27 0.00 0.00 62.75 61.31 1x5p n ILE 41 Cb 0.49 -0.77 -0.16 0.00 -1.74 0.00 0.00 39.64 37.45 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 -5.83 3.25 -0.22 7.28 2.15 -1.25 -5.00 116.67 117.06 1x5p s ASP 42 Ca -0.18 -1.07 -0.01 0.00 0.43 0.00 0.00 52.55 51.72 1x5p s ASP 42 Cb 0.07 -0.63 0.06 0.00 -0.30 0.00 0.00 42.92 42.12 1x5p s ASP 42 CO 0.76 -0.35 -0.01 -0.22 -0.17 0.00 0.00 175.17 175.18 1x5p s LEU 43 N 1.83 1.95 0.01 -1.34 2.96 -1.25 0.20 118.68 123.04 1x5p s LEU 43 Ca 0.03 -1.02 0.08 0.00 -0.22 0.00 0.00 54.13 53.00 1x5p s LEU 43 Cb -0.17 -0.92 -0.02 0.00 0.50 0.00 0.00 46.19 45.58 1x5p s LEU 43 CO -0.15 -0.27 -0.26 -0.94 -1.32 0.00 0.00 176.35 173.41 1x5p s SER 44 N 1.60 3.07 -0.02 3.68 1.04 -1.04 -4.96 113.70 117.07 1x5p s SER 44 Ca -0.04 -0.52 0.08 0.00 0.48 0.00 0.00 55.95 55.95 1x5p s SER 44 Cb -0.18 -0.31 -0.02 0.00 0.10 0.00 0.00 66.02 65.61 1x5p s SER 44 CO -0.07 0.29 -0.25 -0.04 0.98 0.00 0.00 173.24 174.15 1x5p s MET 45 N -0.87 2.02 -0.39 4.02 -1.94 -1.26 -0.68 119.30 120.20 1x5p s MET 45 Ca 0.11 -0.90 0.02 0.00 -1.71 0.00 0.00 55.69 53.21 1x5p s MET 45 Cb -0.10 -1.96 0.11 0.00 2.01 0.00 0.00 34.83 34.89 1x5p s MET 45 CO 0.00 0.54 0.15 0.34 -0.01 0.00 0.00 175.02 176.04 1x5p s ASP 46 N -0.60 4.19 0.28 3.03 2.15 0.57 -4.98 116.67 121.31 1x5p s ASP 46 Ca 0.10 -2.28 0.02 0.00 0.43 0.00 0.00 52.55 50.82 1x5p s ASP 46 Cb -0.10 -1.25 0.68 0.00 -0.30 0.00 0.00 42.92 41.95 1x5p s ASP 46 CO -0.01 -0.34 1.69 -0.65 -0.17 0.00 0.00 175.17 175.70 1x5p h PRO 47 N 7.33 0.36 -0.15 4.34 0.11 -1.94 0.31 132.00 142.35 1x5p h PRO 47 Ca -0.07 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 66.05 1x5p h PRO 47 Cb 0.97 -0.08 -0.05 0.00 0.11 0.00 0.00 31.00 31.95 1x5p h PRO 47 CO 0.52 0.24 -0.43 -1.35 -0.21 0.00 0.00 178.00 176.77 1x5p h PRO 48 N 0.37 -0.41 -0.51 1.05 0.11 -1.95 -1.29 132.00 129.37 1x5p h PRO 48 Ca 0.54 0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.67 1x5p h PRO 48 Cb 1.01 0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1x5p h PRO 48 CO -0.53 -0.27 0.00 0.54 -0.21 0.00 0.00 178.00 177.52 1x5p n ARG 49 N -4.79 2.32 -4.15 1.05 5.12 -0.98 -4.91 116.66 110.33 1x5p n ARG 49 Ca -0.04 -1.67 -0.35 0.00 -1.93 0.00 0.00 57.85 53.86 1x5p n ARG 49 Cb 0.29 -1.48 -0.06 0.00 -1.16 0.00 0.00 32.46 30.05 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 0.71 -2.07 -4.69 0.55 4.13 0.11 -4.85 115.26 109.14 1x5p n ASN 50 Ca 0.15 -0.92 -0.32 0.00 1.68 0.00 0.00 54.58 55.17 1x5p n ASN 50 Cb 0.47 -1.79 -0.08 0.00 -1.54 0.00 0.00 39.78 36.85 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 -2.90 -1.64 -0.35 0.00 0.00 0.20 -0.31 121.76 116.76 1x5p s ALA 52 Ca 0.09 0.76 0.03 0.00 0.00 0.00 0.00 51.96 52.85 1x5p s ALA 52 Cb 0.02 0.58 0.10 0.00 0.00 0.00 0.00 23.12 23.82 1x5p s ALA 52 CO 0.05 -0.63 0.07 -0.06 0.00 0.00 0.00 175.76 175.19 1x5p s PHE 53 N -2.87 3.44 -0.16 0.00 0.08 0.15 -0.15 117.98 118.47 1x5p s PHE 53 Ca -0.03 -2.84 -0.14 0.00 0.12 0.00 0.00 56.93 54.04 1x5p s PHE 53 Cb -0.01 -2.75 -0.05 0.00 -0.57 0.00 0.00 43.02 39.65 1x5p s PHE 53 CO -0.05 -0.93 0.30 0.08 -0.10 0.00 0.00 175.22 174.52 1x5p s VAL 54 N 0.94 5.30 -0.12 -0.44 1.01 -0.77 -2.49 120.40 123.83 1x5p s VAL 54 Ca 0.11 0.56 -0.00 0.00 0.00 0.00 0.00 61.98 62.65 1x5p s VAL 54 Cb -0.19 -3.64 -0.02 0.00 0.00 0.00 0.00 36.38 32.53 1x5p s VAL 54 CO -0.10 0.39 -0.12 -0.89 0.00 0.00 0.00 175.10 174.38 1x5p s THR 55 N 0.48 3.17 -0.09 3.92 2.01 0.13 -0.31 115.64 124.95 1x5p s THR 55 Ca 0.17 -0.63 -0.06 0.00 0.31 0.00 0.00 61.69 61.48 1x5p s THR 55 Cb -0.13 -2.33 -0.04 0.00 0.01 0.00 0.00 72.50 70.01 1x5p s THR 55 CO 0.04 0.53 0.16 -0.31 -0.69 0.00 0.00 174.62 174.35 1x5p s TYR 56 N 0.21 3.59 0.59 4.92 2.02 -1.00 -2.26 117.35 125.42 1x5p s TYR 56 Ca -0.07 0.50 0.29 0.00 -0.37 0.00 0.00 57.07 57.42 1x5p s TYR 56 Cb -0.15 -1.92 1.63 0.00 -0.40 0.00 0.00 41.96 41.11 1x5p s TYR 56 CO 0.05 0.72 2.05 1.49 -1.57 0.00 0.00 175.55 178.28 1x5p h GLU 57 N 4.71 0.00 -6.00 -0.62 4.81 -1.82 -3.42 114.58 112.24 1x5p h GLU 57 Ca -0.54 0.00 -0.59 0.00 -0.13 0.00 0.00 59.36 58.10 1x5p h GLU 57 Cb 1.22 0.00 -0.14 0.00 0.63 0.00 0.00 28.75 30.46 1x5p h GLU 57 CO 0.61 0.00 -0.72 0.15 -0.73 0.00 0.00 179.01 178.31 1x5p s LYS 58 N -4.60 1.69 0.10 1.92 1.02 -1.26 -5.05 119.74 113.55 1x5p s LYS 58 Ca -0.04 -1.81 0.06 0.00 0.02 0.00 0.00 55.97 54.19 1x5p s LYS 58 Cb 0.15 -1.64 -0.22 0.00 -0.52 0.00 0.00 37.83 35.60 1x5p s LYS 58 CO 0.54 0.23 1.19 0.00 -0.92 0.00 0.00 175.35 176.38 1x5p h MET 59 N 2.21 0.03 -0.77 1.68 -0.00 -1.81 -3.31 114.93 112.95 1x5p h MET 59 Ca -0.41 -0.06 0.09 0.00 -0.00 0.00 0.00 59.70 59.33 1x5p h MET 59 Cb 1.25 0.02 -0.07 0.00 -0.00 0.00 0.00 31.60 32.80 1x5p h MET 59 CO 0.64 0.97 0.43 1.05 -0.00 0.00 0.00 176.91 180.00 1x5p h GLU 60 N 0.01 0.71 -0.68 -0.10 4.11 -1.96 -1.73 114.58 114.93 1x5p h GLU 60 Ca -0.06 -0.04 0.03 0.00 0.07 0.00 0.00 59.36 59.36 1x5p h GLU 60 Cb 1.82 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 30.87 1x5p h GLU 60 CO 0.13 0.47 0.42 0.77 0.07 0.00 0.00 179.01 180.87 1x5p h SER 61 N 0.73 0.69 -0.48 3.06 0.02 -1.89 -1.31 113.55 114.37 1x5p h SER 61 Ca 0.37 0.00 0.05 0.00 -0.84 0.00 0.00 61.79 61.37 1x5p h SER 61 Cb 0.33 -0.15 -0.09 0.00 0.14 0.00 0.00 62.40 62.64 1x5p h SER 61 CO -0.24 0.48 -0.56 0.00 -1.14 0.00 0.00 176.83 175.37 1x5p h ALA 62 N 1.29 -0.75 -0.72 3.77 0.00 -1.44 0.31 119.26 121.72 1x5p h ALA 62 Ca 0.27 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.13 1x5p h ALA 62 Cb 0.02 1.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.94 1x5p h ALA 62 CO -0.11 -1.04 0.19 -0.44 0.00 0.00 0.00 179.25 177.85 1x5p h ASP 63 N -0.35 1.08 0.18 0.00 3.32 -1.51 -2.56 116.42 116.59 1x5p h ASP 63 Ca 0.08 -0.22 -0.01 0.00 0.02 0.00 0.00 57.03 56.90 1x5p h ASP 63 Cb 0.57 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 1x5p h ASP 63 CO -0.64 1.03 -0.17 1.56 -1.72 0.00 0.00 179.24 179.30 1x5p h GLN 64 N 1.09 -0.33 -0.40 3.56 4.20 0.06 -1.79 115.11 121.50 1x5p h GLN 64 Ca 0.23 0.02 0.07 0.00 0.06 0.00 0.00 58.65 59.03 1x5p h GLN 64 Cb 0.36 0.08 -0.09 0.00 0.30 0.00 0.00 27.48 28.12 1x5p h GLN 64 CO -0.00 -0.22 -0.40 0.00 -0.67 0.00 0.00 178.83 177.54 1x5p h ALA 65 N -1.49 -0.36 0.00 3.87 0.00 -0.49 0.71 119.26 121.49 1x5p h ALA 65 Ca -0.02 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1x5p h ALA 65 Cb 0.29 0.84 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1x5p h ALA 65 CO -0.01 -0.83 0.33 0.28 0.00 0.00 0.00 179.25 179.02 1x5p h VAL 66 N -0.31 0.00 0.09 0.00 2.07 -1.39 1.47 116.25 118.18 1x5p h VAL 66 Ca 0.15 0.00 -0.36 0.00 0.82 0.00 0.00 66.70 67.31 1x5p h VAL 66 Cb 0.57 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 1x5p h VAL 66 CO -0.56 0.00 -2.01 0.00 0.02 0.00 0.00 177.57 175.02 1x5p n ALA 67 N -1.70 1.05 -0.09 1.67 0.00 0.23 -3.88 120.51 117.78 1x5p n ALA 67 Ca -0.01 -0.68 -0.11 0.00 0.00 0.00 0.00 53.44 52.63 1x5p n ALA 67 Cb 0.36 -0.64 -0.04 0.00 0.00 0.00 0.00 19.45 19.13 1x5p n ALA 67 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1x5p n GLU 68 N -3.38 0.53 0.09 0.00 1.02 0.64 -4.34 120.64 115.20 1x5p n GLU 68 Ca -0.31 0.28 0.05 0.00 -0.02 0.00 0.00 57.16 57.16 1x5p n GLU 68 Cb 1.05 -1.49 0.28 0.00 -0.02 0.00 0.00 31.44 31.26 1x5p n GLU 68 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1x5p n LEU 69 N -4.46 0.27 -4.61 -4.62 4.77 0.47 -3.98 117.00 104.84 1x5p n LEU 69 Ca -0.19 0.58 -0.43 0.00 -0.03 0.00 0.00 56.01 55.95 1x5p n LEU 69 Cb 0.53 -0.60 -0.02 0.00 -2.33 0.00 0.00 43.42 41.00 1x5p n LEU 69 CO 0.17 -0.67 1.32 0.21 -1.33 0.00 0.00 177.39 177.08 1x5p s ASN 70 N -3.40 6.30 -0.31 -1.43 3.84 -1.11 -2.66 114.94 116.16 1x5p s ASN 70 Ca -0.01 1.16 0.00 0.00 0.21 0.00 0.00 52.86 54.22 1x5p s ASN 70 Cb 0.03 -2.54 0.00 0.00 -0.55 0.00 0.00 41.25 38.19 1x5p s ASN 70 CO 0.09 -1.40 0.00 0.61 -2.79 0.00 0.00 177.10 173.61 1x5p n GLY 71 N 4.95 0.55 3.86 1.21 0.00 -1.01 -4.95 105.19 109.80 1x5p n GLY 71 Ca 0.18 -0.21 -0.31 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 -1.83 4.63 -0.44 2.61 -1.32 -1.09 -4.84 115.64 113.36 1x5p s THR 72 Ca 0.00 0.98 0.03 0.00 -1.21 0.00 0.00 61.69 61.49 1x5p s THR 72 Cb 0.00 -3.74 0.12 0.00 -1.51 0.00 0.00 72.50 67.37 1x5p s THR 72 CO 0.00 -0.66 0.18 -1.58 -2.21 0.00 0.00 174.62 170.35 1x5p s GLN 73 N -4.07 1.81 -0.02 7.08 0.74 -1.26 -0.50 119.66 123.43 1x5p s GLN 73 Ca 0.56 -2.24 0.01 0.00 0.05 0.00 0.00 55.36 53.74 1x5p s GLN 73 Cb -0.10 -3.32 -0.04 0.00 1.10 0.00 0.00 33.01 30.65 1x5p s GLN 73 CO 0.33 -1.04 0.00 0.14 -0.55 0.00 0.00 175.29 174.17 1x5p s VAL 74 N 0.35 4.22 -1.64 1.34 -7.23 -0.53 -4.45 120.40 112.46 1x5p s VAL 74 Ca 0.14 -0.50 0.00 0.00 -1.81 0.00 0.00 61.98 59.80 1x5p s VAL 74 Cb -0.22 -2.85 0.00 0.00 0.56 0.00 0.00 36.38 33.86 1x5p s VAL 74 CO -0.04 0.43 0.00 -0.62 -0.31 0.00 0.00 175.10 174.56 1x5p n GLU 75 N 1.57 -1.65 -2.06 4.82 -0.58 -1.26 -0.26 120.64 121.23 1x5p n GLU 75 Ca -0.15 0.92 -0.06 0.00 -0.42 0.00 0.00 57.16 57.44 1x5p n GLU 75 Cb 0.53 -5.40 -0.00 0.00 -0.57 0.00 0.00 31.44 26.00 1x5p n GLU 75 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1x5p n SER 76 N -1.44 -2.53 -3.70 1.62 2.88 -1.26 -5.03 113.62 104.16 1x5p n SER 76 Ca -0.19 0.00 -0.21 0.00 -1.33 0.00 0.00 58.87 57.15 1x5p n SER 76 Cb 0.61 -1.80 -0.18 0.00 -0.75 0.00 0.00 64.21 62.09 1x5p n SER 76 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1x5p s VAL 77 N -2.30 0.06 -0.60 2.46 1.01 0.65 -4.99 120.40 116.68 1x5p s VAL 77 Ca 0.00 0.32 -0.28 0.00 0.00 0.00 0.00 61.98 62.02 1x5p s VAL 77 Cb 0.00 -0.29 0.01 0.00 0.00 0.00 0.00 36.38 36.10 1x5p s VAL 77 CO 0.00 0.20 1.43 -1.10 0.00 0.00 0.00 175.10 175.64 1x5p s GLN 78 N 2.10 3.21 0.21 2.72 -0.21 -1.26 -1.45 119.66 124.98 1x5p s GLN 78 Ca 0.05 0.33 -0.13 0.00 0.02 0.00 0.00 55.36 55.63 1x5p s GLN 78 Cb -0.12 -4.16 -0.07 0.00 1.00 0.00 0.00 33.01 29.65 1x5p s GLN 78 CO -0.04 -2.06 0.59 -0.51 -2.12 0.00 0.00 175.29 171.15 1x5p s LEU 79 N 6.31 4.23 -0.30 2.90 1.43 0.35 -4.63 118.68 128.96 1x5p s LEU 79 Ca 0.50 1.08 0.03 0.00 -1.03 0.00 0.00 54.13 54.71 1x5p s LEU 79 Cb -0.10 -3.58 0.08 0.00 0.03 0.00 0.00 46.19 42.62 1x5p s LEU 79 CO 0.22 -0.02 -0.00 -0.75 0.23 0.00 0.00 176.35 176.04 1x5p s LYS 80 N -2.44 1.63 -0.04 1.70 2.20 0.18 -2.40 119.74 120.58 1x5p s LYS 80 Ca 0.44 -1.55 -0.03 0.00 -0.36 0.00 0.00 55.97 54.47 1x5p s LYS 80 Cb -0.13 -2.93 -0.04 0.00 -1.51 0.00 0.00 37.83 33.22 1x5p s LYS 80 CO 0.20 -0.80 0.16 0.08 -0.36 0.00 0.00 175.35 174.63 1x5p s VAL 81 N 1.08 5.37 -0.01 4.02 1.01 -1.25 -0.01 120.40 130.60 1x5p s VAL 81 Ca 0.03 -0.10 -0.16 0.00 0.00 0.00 0.00 61.98 61.76 1x5p s VAL 81 Cb -0.19 -3.46 0.03 0.00 0.00 0.00 0.00 36.38 32.76 1x5p s VAL 81 CO -0.09 0.40 0.33 0.21 0.00 0.00 0.00 175.10 175.96 1x5p s ASN 82 N -1.69 -0.21 -0.78 3.32 2.47 0.11 -4.66 114.94 113.50 1x5p s ASN 82 Ca 0.24 0.11 -0.25 0.00 0.42 0.00 0.00 52.86 53.37 1x5p s ASN 82 Cb -0.12 0.32 -0.03 0.00 -1.45 0.00 0.00 41.25 39.97 1x5p s ASN 82 CO 0.14 -0.46 1.85 -0.63 -3.72 0.00 0.00 177.10 174.28 1x5p s ILE 83 N -1.36 3.45 -0.56 -5.21 -1.09 -1.26 0.13 121.20 115.30 1x5p s ILE 83 Ca -0.13 -0.11 -0.41 0.00 -2.23 0.00 0.00 60.65 57.77 1x5p s ILE 83 Cb -0.05 -4.09 -0.19 0.00 -1.58 0.00 0.00 42.46 36.56 1x5p s ILE 83 CO 0.04 -1.04 2.23 0.00 -1.23 0.00 0.00 174.94 174.95 1x5p n ALA 84 N 12.93 0.32 0.01 9.38 0.00 -1.25 -4.74 120.51 137.15 1x5p n ALA 84 Ca 0.29 0.09 0.22 0.00 0.00 0.00 0.00 53.44 54.04 1x5p n ALA 84 Cb 0.49 -2.16 0.72 0.00 0.00 0.00 0.00 19.45 18.50 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 9.88 0.00 -2.32 0.00 -0.00 -1.95 -2.39 114.38 117.60 1x5p h ARG 85 Ca -0.11 0.00 -0.68 0.00 -0.00 0.00 0.00 59.98 59.19 1x5p h ARG 85 Cb 1.39 0.00 -0.36 0.00 -0.00 0.00 0.00 29.97 31.00 1x5p h ARG 85 CO 1.13 0.00 0.00 1.63 -0.00 0.00 0.00 179.97 182.73 1x5p n LYS 86 N -4.11 3.94 -3.56 0.08 4.76 -1.26 -4.94 118.16 113.06 1x5p n LYS 86 Ca 0.10 -4.76 -0.39 0.00 -2.87 0.00 0.00 58.31 50.40 1x5p n LYS 86 Cb 0.67 -2.34 -0.05 0.00 -1.84 0.00 0.00 35.03 31.47 1x5p n LYS 86 CO 0.00 0.00 0.00 1.14 -1.37 0.00 0.00 177.40 177.17 1x5p s GLN 87 N -3.56 3.41 0.78 1.97 -2.07 -0.90 -5.06 119.66 114.23 1x5p s GLN 87 Ca 0.43 -3.10 -0.13 0.00 -1.82 0.00 0.00 55.36 50.74 1x5p s GLN 87 Cb 0.22 -4.09 0.19 0.00 -1.09 0.00 0.00 33.01 28.24 1x5p s GLN 87 CO -0.10 -1.25 0.69 -0.35 -1.32 0.00 0.00 175.29 172.97 1x5p n PRO 88 N 2.70 -2.38 -2.57 9.60 -0.04 -1.26 -4.56 135.00 136.48 1x5p n PRO 88 Ca 0.19 -1.11 -0.41 0.00 -0.04 0.00 0.00 63.50 62.13 1x5p n PRO 88 Cb 0.38 -1.04 -0.03 0.00 -0.04 0.00 0.00 33.50 32.77 1x5p n PRO 88 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 1x5p s MET 89 N -4.58 3.27 -0.16 0.54 -1.94 -1.26 -4.80 119.30 110.37 1x5p s MET 89 Ca 0.45 -0.47 -0.06 0.00 -1.71 0.00 0.00 55.69 53.90 1x5p s MET 89 Cb -0.04 -4.43 -0.04 0.00 2.01 0.00 0.00 34.83 32.32 1x5p s MET 89 CO 0.35 -2.14 0.05 -0.51 -0.01 0.00 0.00 175.02 172.75 1x5p s LEU 90 N 5.46 3.74 0.04 -0.03 1.43 -1.26 -5.10 118.68 122.96 1x5p s LEU 90 Ca 0.37 0.08 0.02 0.00 -1.03 0.00 0.00 54.13 53.57 1x5p s LEU 90 Cb -0.07 -1.93 -0.02 0.00 0.03 0.00 0.00 46.19 44.20 1x5p s LEU 90 CO 0.09 0.21 -0.07 1.51 0.23 0.00 0.00 176.35 178.33 1x5p s ASP 91 N 0.13 0.75 -0.18 2.29 -4.77 -1.26 -5.08 116.67 108.55 1x5p s ASP 91 Ca 0.04 -0.53 -0.15 0.00 -3.30 0.00 0.00 52.55 48.62 1x5p s ASP 91 Cb -0.12 0.04 -0.07 0.00 -1.09 0.00 0.00 42.92 41.67 1x5p s ASP 91 CO 0.01 -0.21 -0.22 -1.20 0.70 0.00 0.00 175.17 174.25 1x5p n SER 92 N 1.54 1.88 0.00 2.11 7.64 -1.26 -5.13 113.62 120.40 1x5p n SER 92 Ca -0.23 0.46 0.00 0.00 1.01 0.00 0.00 58.87 60.11 1x5p n SER 92 Cb 0.55 -0.83 0.00 0.00 -1.01 0.00 0.00 64.21 62.92 1x5p n SER 92 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x5p n GLY 93 N 1.49 2.32 0.00 0.23 0.00 -1.26 -4.65 105.19 103.32 1x5p n GLY 93 Ca -0.19 -1.90 0.06 0.00 0.00 0.00 0.00 46.02 43.98 1x5p n GLY 93 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x5p n PRO 94 N 1.75 0.49 -0.28 1.61 -0.04 -1.26 -4.04 135.00 133.23 1x5p n PRO 94 Ca 0.00 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.54 1x5p n PRO 94 Cb 0.00 -1.36 0.17 0.00 -0.04 0.00 0.00 33.50 32.27 1x5p n PRO 94 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1x5p n SER 95 N -0.86 -0.19 -4.37 3.54 7.64 -1.26 -4.45 113.62 113.66 1x5p n SER 95 Ca 0.08 1.36 -0.63 0.00 1.01 0.00 0.00 58.87 60.70 1x5p n SER 95 Cb 0.04 -0.45 -0.09 0.00 -1.01 0.00 0.00 64.21 62.69 1x5p n SER 95 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1x5p n SER 96 N -5.21 1.10 0.00 6.43 3.41 -1.26 -5.30 113.62 112.79 1x5p n SER 96 Ca 0.16 1.08 0.00 0.00 -0.26 0.00 0.00 58.87 59.84 1x5p n SER 96 Cb 0.50 -0.82 0.00 0.00 -0.26 0.00 0.00 64.21 63.64 1x5p n SER 96 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49