#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5p n SER 2 N 0.00 3.33 -3.99 1.61 3.41 -1.26 -4.79 113.62 111.94 1x5p n SER 2 Ca 0.00 -3.15 -0.28 0.00 -0.26 0.00 0.00 58.87 55.18 1x5p n SER 2 Cb 0.00 0.32 -0.01 0.00 -0.26 0.00 0.00 64.21 64.26 1x5p n SER 2 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1x5p n SER 3 N -1.33 -1.54 -4.56 4.04 7.64 -1.26 -4.75 113.62 111.87 1x5p n SER 3 Ca -0.19 -0.97 -0.54 0.00 1.01 0.00 0.00 58.87 58.18 1x5p n SER 3 Cb 0.62 -3.17 -0.07 0.00 -1.01 0.00 0.00 64.21 60.58 1x5p n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x5p n GLY 4 N -1.79 0.65 3.64 0.23 0.00 -1.26 -4.90 105.19 101.77 1x5p n GLY 4 Ca -0.19 0.95 -0.04 0.00 0.00 0.00 0.00 46.02 46.74 1x5p n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x5p s SER 5 N 5.38 -0.36 0.02 1.61 1.04 -1.26 -5.18 113.70 114.96 1x5p s SER 5 Ca 1.05 0.62 0.04 0.00 0.48 0.00 0.00 55.95 58.14 1x5p s SER 5 Cb -1.00 0.92 -0.02 0.00 0.10 0.00 0.00 66.02 66.03 1x5p s SER 5 CO 0.58 -0.10 -0.12 -0.94 0.98 0.00 0.00 173.24 173.64 1x5p s SER 6 N 0.79 1.36 -0.00 7.02 1.04 -1.26 -5.13 113.70 117.51 1x5p s SER 6 Ca -0.03 -0.36 -0.27 0.00 0.48 0.00 0.00 55.95 55.77 1x5p s SER 6 Cb -0.04 -0.10 -0.04 0.00 0.10 0.00 0.00 66.02 65.95 1x5p s SER 6 CO -0.12 0.04 0.86 -0.83 0.98 0.00 0.00 173.24 174.17 1x5p s GLY 7 N -0.84 2.81 -0.19 7.32 0.00 -1.26 -4.97 107.32 110.20 1x5p s GLY 7 Ca 0.01 0.38 -0.15 0.00 0.00 0.00 0.00 44.72 44.96 1x5p s GLY 7 CO 0.01 1.42 -0.12 -2.21 0.00 0.00 0.00 173.10 172.19 1x5p n GLU 8 N 3.60 0.52 -1.93 2.90 2.13 -1.26 -4.99 120.64 121.61 1x5p n GLU 8 Ca 0.02 0.44 -0.29 0.00 0.66 0.00 0.00 57.16 58.00 1x5p n GLU 8 Cb 0.51 -1.63 0.11 0.00 0.27 0.00 0.00 31.44 30.70 1x5p n GLU 8 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1x5p s ARG 9 N -2.44 1.67 -0.07 5.31 0.52 -1.26 -5.02 118.95 117.66 1x5p s ARG 9 Ca -0.25 -0.04 0.01 0.00 -0.52 0.00 0.00 55.73 54.93 1x5p s ARG 9 Cb 0.05 -1.94 -0.25 0.00 0.52 0.00 0.00 34.95 33.33 1x5p s ARG 9 CO 0.41 -1.76 0.54 0.00 0.02 0.00 0.00 175.30 174.50 1x5p h ARG 10 N -1.16 0.16 -1.25 3.54 3.08 -2.05 -3.49 114.38 113.21 1x5p h ARG 10 Ca -0.45 -0.28 0.16 0.00 0.07 0.00 0.00 59.98 59.48 1x5p h ARG 10 Cb 1.31 0.10 -0.28 0.00 0.08 0.00 0.00 29.97 31.18 1x5p h ARG 10 CO 0.59 0.93 0.77 0.00 -1.07 0.00 0.00 179.97 181.19 1x5p s ALA 11 N -2.58 -2.10 -2.00 0.04 0.00 -1.26 -5.01 121.76 108.86 1x5p s ALA 11 Ca -0.14 1.76 0.11 0.00 0.00 0.00 0.00 51.96 53.69 1x5p s ALA 11 Cb 0.07 -1.45 0.66 0.00 0.00 0.00 0.00 23.12 22.40 1x5p s ALA 11 CO 0.80 -0.20 1.10 -0.35 0.00 0.00 0.00 175.76 177.11 1x5p n PRO 12 N 1.22 0.49 -3.33 0.00 -0.04 -1.26 -4.83 135.00 127.25 1x5p n PRO 12 Ca -0.08 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.16 1x5p n PRO 12 Cb 0.57 -1.36 -0.05 0.00 -0.04 0.00 0.00 33.50 32.63 1x5p n PRO 12 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 1x5p n ARG 13 N -0.86 -0.88 -0.00 0.54 -4.01 -1.26 -4.66 116.66 105.54 1x5p n ARG 13 Ca 0.08 0.07 0.00 0.00 -1.04 0.00 0.00 57.85 56.96 1x5p n ARG 13 Cb 0.04 -2.44 -0.00 0.00 -3.04 0.00 0.00 32.46 27.01 1x5p n ARG 13 CO 0.00 0.00 0.00 0.36 -3.04 0.00 0.00 177.63 174.95 1x5p n LYS 14 N -2.69 5.91 -1.12 2.89 2.85 -1.26 -4.77 118.16 119.96 1x5p n LYS 14 Ca -0.02 -0.00 -0.30 0.00 -1.05 0.00 0.00 58.31 56.94 1x5p n LYS 14 Cb 0.30 -0.58 0.14 0.00 -0.65 0.00 0.00 35.03 34.24 1x5p n LYS 14 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 1x5p s GLY 15 N -1.16 1.62 -0.07 2.58 0.00 -1.26 -4.84 107.32 104.19 1x5p s GLY 15 Ca 0.00 0.02 0.06 0.00 0.00 0.00 0.00 44.72 44.80 1x5p s GLY 15 CO 0.01 0.50 0.03 -2.01 0.00 0.00 0.00 173.10 171.63 1x5p n ASN 16 N -3.95 3.25 -4.88 1.64 5.15 -1.26 -4.55 115.26 110.67 1x5p n ASN 16 Ca 0.07 0.00 -0.30 0.00 -0.60 0.00 0.00 54.58 53.76 1x5p n ASN 16 Cb 0.55 0.72 -0.02 0.00 -0.53 0.00 0.00 39.78 40.49 1x5p n ASN 16 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1x5p s THR 17 N -2.20 4.80 -0.03 -0.44 2.01 -1.26 -2.69 115.64 115.83 1x5p s THR 17 Ca -0.03 0.55 -0.00 0.00 0.31 0.00 0.00 61.69 62.51 1x5p s THR 17 Cb 0.02 -3.77 0.03 0.00 0.01 0.00 0.00 72.50 68.79 1x5p s THR 17 CO 0.29 -0.63 0.02 -0.76 -0.69 0.00 0.00 174.62 172.85 1x5p s LEU 18 N -4.11 0.90 -0.64 4.42 1.43 0.12 -4.13 118.68 116.67 1x5p s LEU 18 Ca 0.51 0.00 -0.25 0.00 -1.03 0.00 0.00 54.13 53.36 1x5p s LEU 18 Cb -0.10 -0.20 0.04 0.00 0.03 0.00 0.00 46.19 45.96 1x5p s LEU 18 CO 0.35 -0.14 1.09 -0.47 0.23 0.00 0.00 176.35 177.41 1x5p s TYR 19 N 1.34 2.57 0.06 0.29 6.14 0.10 -1.97 117.35 125.89 1x5p s TYR 19 Ca -0.05 -0.10 -0.07 0.00 0.64 0.00 0.00 57.07 57.48 1x5p s TYR 19 Cb -0.13 -4.38 -0.05 0.00 0.42 0.00 0.00 41.96 37.82 1x5p s TYR 19 CO -0.03 -1.70 0.33 0.08 0.64 0.00 0.00 175.55 174.88 1x5p s VAL 20 N 4.70 5.21 -0.03 3.14 1.01 0.31 -0.65 120.40 134.09 1x5p s VAL 20 Ca 0.32 0.22 0.01 0.00 0.00 0.00 0.00 61.98 62.53 1x5p s VAL 20 Cb -0.12 -3.61 0.02 0.00 0.00 0.00 0.00 36.38 32.67 1x5p s VAL 20 CO 0.16 0.28 -0.04 -0.47 0.00 0.00 0.00 175.10 175.03 1x5p s TYR 21 N -1.40 0.56 0.36 5.22 6.14 0.13 -0.38 117.35 127.99 1x5p s TYR 21 Ca 0.32 -0.12 -0.06 0.00 0.64 0.00 0.00 57.07 57.85 1x5p s TYR 21 Cb -0.13 -0.50 0.02 0.00 0.42 0.00 0.00 41.96 41.77 1x5p s TYR 21 CO 0.19 -0.12 0.57 0.20 0.64 0.00 0.00 175.55 177.03 1x5p s GLY 22 N 0.63 1.19 0.00 8.97 0.00 -1.11 -1.42 107.32 115.58 1x5p s GLY 22 Ca -0.08 -1.31 0.00 0.00 0.00 0.00 0.00 44.72 43.33 1x5p s GLY 22 CO -0.00 -0.80 0.00 1.18 0.00 0.00 0.00 173.10 173.47 1x5p n GLU 23 N -0.57 0.00 -2.26 2.90 1.02 -1.26 -4.60 120.64 115.88 1x5p n GLU 23 Ca -0.02 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 56.86 1x5p n GLU 23 Cb 0.61 -0.40 0.01 0.00 -0.02 0.00 0.00 31.44 31.64 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 -2.76 4.97 -4.57 1.62 9.92 -1.26 -5.04 116.55 119.42 1x5p n ASP 24 Ca 0.00 -3.74 -0.25 0.00 -0.53 0.00 0.00 54.79 50.28 1x5p n ASP 24 Cb 0.34 -0.45 -0.09 0.00 -0.64 0.00 0.00 41.12 40.29 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 -3.59 2.06 0.12 -1.24 0.23 -1.26 -4.93 119.30 110.68 1x5p s MET 25 Ca 0.50 -1.44 0.06 0.00 -1.03 0.00 0.00 55.69 53.77 1x5p s MET 25 Cb 0.41 -2.07 -0.04 0.00 -1.53 0.00 0.00 34.83 31.60 1x5p s MET 25 CO -0.11 0.38 -0.14 0.95 -2.03 0.00 0.00 175.02 174.07 1x5p s THR 26 N -2.12 1.32 0.09 3.16 -4.23 -1.26 -5.06 115.64 107.54 1x5p s THR 26 Ca 0.28 -1.67 -0.25 0.00 -1.18 0.00 0.00 61.69 58.87 1x5p s THR 26 Cb -0.07 -1.49 -0.09 0.00 1.34 0.00 0.00 72.50 72.19 1x5p s THR 26 CO 0.17 -0.38 1.41 -0.65 -0.54 0.00 0.00 174.62 174.63 1x5p h PRO 27 N 3.62 -0.39 -1.35 3.99 0.11 -1.99 0.33 132.00 136.32 1x5p h PRO 27 Ca -0.40 0.03 0.39 0.00 0.11 0.00 0.00 66.00 66.13 1x5p h PRO 27 Cb 1.19 0.09 -0.07 0.00 0.11 0.00 0.00 31.00 32.33 1x5p h PRO 27 CO 0.49 -0.26 0.95 1.15 -0.21 0.00 0.00 178.00 180.12 1x5p h THR 28 N -0.41 0.31 -0.03 -1.15 2.02 -2.00 0.26 112.91 111.91 1x5p h THR 28 Ca 0.03 -0.02 -0.01 0.00 0.77 0.00 0.00 66.41 67.18 1x5p h THR 28 Cb 0.50 0.24 -0.00 0.00 -1.74 0.00 0.00 68.15 67.15 1x5p h THR 28 CO -0.35 0.01 -0.03 0.25 0.37 0.00 0.00 175.52 175.77 1x5p h LEU 29 N 0.06 0.08 -1.84 2.58 6.46 -1.37 -3.09 115.31 118.19 1x5p h LEU 29 Ca 0.68 -0.47 -0.01 0.00 -0.12 0.00 0.00 57.88 57.96 1x5p h LEU 29 Cb 2.53 -0.02 -0.00 0.00 -0.73 0.00 0.00 40.66 42.43 1x5p h LEU 29 CO -0.09 0.53 -0.02 -0.07 -0.62 0.00 0.00 178.44 178.17 1x5p h LEU 30 N -0.37 0.07 -0.61 2.25 3.38 0.14 -0.87 115.31 119.29 1x5p h LEU 30 Ca 0.01 -0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.01 1x5p h LEU 30 Cb 0.50 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.19 1x5p h LEU 30 CO 0.01 0.10 0.36 0.03 0.09 0.00 0.00 178.44 179.03 1x5p h ARG 31 N 0.08 0.67 0.00 1.13 3.08 -1.18 0.36 114.38 118.52 1x5p h ARG 31 Ca 0.02 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1x5p h ARG 31 Cb 0.09 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 29.99 1x5p h ARG 31 CO 0.00 0.44 -0.52 0.41 -1.07 0.00 0.00 179.97 179.24 1x5p n GLY 32 N -1.27 -1.29 0.10 0.04 0.00 -0.89 -2.08 105.19 99.79 1x5p n GLY 32 Ca 0.06 -0.32 -0.12 0.00 0.00 0.00 0.00 46.02 45.64 1x5p n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x5p h ALA 33 N 2.89 0.66 0.00 4.61 0.00 -0.48 -3.38 119.26 123.57 1x5p h ALA 33 Ca 0.00 -1.42 -0.27 0.00 0.00 0.00 0.00 54.91 53.22 1x5p h ALA 33 Cb 0.55 0.52 -0.05 0.00 0.00 0.00 0.00 17.79 18.81 1x5p h ALA 33 CO 0.00 1.50 -1.96 1.19 0.00 0.00 0.00 179.25 179.98 1x5p n PHE 34 N -3.17 0.47 -0.21 0.00 3.01 0.12 -4.32 117.46 113.36 1x5p n PHE 34 Ca -0.20 0.16 0.01 0.00 1.01 0.00 0.00 57.45 58.43 1x5p n PHE 34 Cb 1.05 -1.01 0.12 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 0.12 -0.17 4.37 0.87 -1.57 0.16 113.55 117.33 1x5p h SER 35 Ca -0.34 0.10 0.05 0.00 -1.23 0.00 0.00 61.79 60.37 1x5p h SER 35 Cb 1.91 0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 63.98 1x5p h SER 35 CO 0.04 0.07 0.64 -0.65 -0.53 0.00 0.00 176.83 176.40 1x5p h PRO 36 N 0.34 0.00 0.00 2.24 0.11 -1.75 0.78 132.00 133.71 1x5p h PRO 36 Ca 0.32 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 66.15 1x5p h PRO 36 Cb 0.46 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.52 1x5p h PRO 36 CO -0.37 0.00 -1.78 1.19 -0.21 0.00 0.00 178.00 176.83 1x5p n PHE 37 N -2.94 0.82 0.00 0.65 3.01 0.03 -5.07 117.46 113.97 1x5p n PHE 37 Ca 0.03 0.29 0.00 0.00 1.01 0.00 0.00 57.45 58.78 1x5p n PHE 37 Cb 0.72 -1.13 0.00 0.00 -0.01 0.00 0.00 39.48 39.06 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 1.56 -1.02 3.26 1.37 0.00 0.27 -4.83 105.19 105.81 1x5p n GLY 38 Ca -0.18 0.04 -0.34 0.00 0.00 0.00 0.00 46.02 45.54 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 -4.00 3.85 -0.58 1.61 2.47 -1.26 -4.40 114.94 112.63 1x5p s ASN 39 Ca 0.00 -0.46 -0.26 0.00 0.42 0.00 0.00 52.86 52.56 1x5p s ASN 39 Cb 0.00 -1.62 0.04 0.00 -1.45 0.00 0.00 41.25 38.21 1x5p s ASN 39 CO 0.00 0.03 1.07 -0.63 -3.72 0.00 0.00 177.10 173.85 1x5p s ILE 40 N 1.16 4.19 -0.14 -5.21 1.01 -1.26 -1.83 121.20 119.13 1x5p s ILE 40 Ca 0.01 0.53 0.22 0.00 0.00 0.00 0.00 60.65 61.41 1x5p s ILE 40 Cb -0.14 -4.65 -0.16 0.00 0.01 0.00 0.00 42.46 37.52 1x5p s ILE 40 CO -0.04 -1.27 0.76 2.30 0.00 0.00 0.00 174.94 176.69 1x5p n ILE 41 N 6.40 0.47 -3.50 2.92 -5.35 -1.05 -4.81 119.36 114.44 1x5p n ILE 41 Ca 0.04 -0.56 -0.21 0.00 -0.27 0.00 0.00 62.75 61.75 1x5p n ILE 41 Cb 0.48 -0.25 -0.13 0.00 -1.74 0.00 0.00 39.64 38.00 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 -5.08 2.00 -0.19 7.28 -1.08 -1.26 -4.99 116.67 113.36 1x5p s ASP 42 Ca -0.04 -0.60 -0.01 0.00 -0.52 0.00 0.00 52.55 51.38 1x5p s ASP 42 Cb 0.11 0.17 0.05 0.00 -1.46 0.00 0.00 42.92 41.79 1x5p s ASP 42 CO 0.84 -0.36 -0.01 -0.22 0.52 0.00 0.00 175.17 175.93 1x5p s LEU 43 N 2.26 1.66 0.06 -1.34 2.96 -1.24 0.47 118.68 123.50 1x5p s LEU 43 Ca 0.07 -0.86 0.09 0.00 -0.22 0.00 0.00 54.13 53.21 1x5p s LEU 43 Cb -0.15 -0.83 -0.03 0.00 0.50 0.00 0.00 46.19 45.67 1x5p s LEU 43 CO -0.21 -0.25 -0.25 -0.55 -1.32 0.00 0.00 176.35 173.77 1x5p s SER 44 N 1.68 2.97 -0.03 3.68 0.15 -0.76 -4.96 113.70 116.42 1x5p s SER 44 Ca -0.02 -0.60 0.03 0.00 0.70 0.00 0.00 55.95 56.06 1x5p s SER 44 Cb -0.17 -0.25 0.00 0.00 -1.71 0.00 0.00 66.02 63.89 1x5p s SER 44 CO -0.07 0.21 -0.11 -0.04 1.20 0.00 0.00 173.24 174.43 1x5p s MET 45 N -1.37 1.16 -0.35 5.44 -1.94 -1.26 -1.00 119.30 119.97 1x5p s MET 45 Ca 0.11 -0.39 0.00 0.00 -1.71 0.00 0.00 55.69 53.70 1x5p s MET 45 Cb -0.10 -1.06 0.12 0.00 2.01 0.00 0.00 34.83 35.80 1x5p s MET 45 CO 0.03 0.15 0.16 0.34 -0.01 0.00 0.00 175.02 175.69 1x5p s ASP 46 N 0.13 3.75 0.28 3.03 2.15 -0.30 -5.00 116.67 120.71 1x5p s ASP 46 Ca -0.03 -2.00 0.02 0.00 0.43 0.00 0.00 52.55 50.97 1x5p s ASP 46 Cb -0.09 -0.83 0.68 0.00 -0.30 0.00 0.00 42.92 42.38 1x5p s ASP 46 CO 0.01 -0.36 1.69 -0.65 -0.17 0.00 0.00 175.17 175.69 1x5p h PRO 47 N 7.54 0.35 -0.13 4.34 0.11 -1.96 0.40 132.00 142.65 1x5p h PRO 47 Ca -0.07 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 66.04 1x5p h PRO 47 Cb 0.98 -0.08 -0.05 0.00 0.11 0.00 0.00 31.00 31.97 1x5p h PRO 47 CO 0.45 0.23 -0.37 -1.35 -0.21 0.00 0.00 178.00 176.75 1x5p h PRO 48 N 0.36 -0.35 0.00 1.05 0.11 -1.94 -0.18 132.00 131.04 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 1.01 0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1x5p h PRO 48 CO -0.54 -0.24 0.00 0.54 -0.21 0.00 0.00 178.00 177.55 1x5p n ARG 49 N -4.51 0.91 -3.91 1.05 5.12 -1.00 -4.90 116.66 109.41 1x5p n ARG 49 Ca -0.04 0.00 -0.26 0.00 -1.93 0.00 0.00 57.85 55.62 1x5p n ARG 49 Cb 0.25 -1.50 0.00 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 -1.04 -1.66 -3.99 0.55 4.13 0.10 -4.96 115.26 108.39 1x5p n ASN 50 Ca 0.22 -0.92 -0.10 0.00 1.68 0.00 0.00 54.58 55.46 1x5p n ASN 50 Cb 0.13 -3.44 -0.07 0.00 -1.54 0.00 0.00 39.78 34.87 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 -3.97 -0.11 -0.23 0.00 0.00 0.49 -1.15 121.76 116.79 1x5p s ALA 52 Ca 0.28 -0.90 -0.01 0.00 0.00 0.00 0.00 51.96 51.33 1x5p s ALA 52 Cb 0.02 1.03 0.07 0.00 0.00 0.00 0.00 23.12 24.24 1x5p s ALA 52 CO 0.11 -0.78 0.02 -0.06 0.00 0.00 0.00 175.76 175.06 1x5p s PHE 53 N -4.01 1.53 -0.14 0.00 0.08 -0.17 -0.53 117.98 114.74 1x5p s PHE 53 Ca 0.22 -1.28 -0.06 0.00 0.12 0.00 0.00 56.93 55.93 1x5p s PHE 53 Cb 0.01 -1.31 -0.04 0.00 -0.57 0.00 0.00 43.02 41.11 1x5p s PHE 53 CO 0.06 -0.71 0.06 0.08 -0.10 0.00 0.00 175.22 174.61 1x5p s VAL 54 N 1.68 4.76 0.12 -0.44 1.01 -0.83 -1.83 120.40 124.87 1x5p s VAL 54 Ca -0.00 -0.06 0.10 0.00 0.00 0.00 0.00 61.98 62.02 1x5p s VAL 54 Cb -0.18 -3.09 -0.04 0.00 0.00 0.00 0.00 36.38 33.07 1x5p s VAL 54 CO -0.11 0.53 -0.21 -0.89 0.00 0.00 0.00 175.10 174.42 1x5p s THR 55 N -0.23 2.62 -0.01 3.92 2.01 0.17 -0.70 115.64 123.42 1x5p s THR 55 Ca 0.08 -1.60 0.07 0.00 0.31 0.00 0.00 61.69 60.55 1x5p s THR 55 Cb -0.12 -2.19 -0.02 0.00 0.01 0.00 0.00 72.50 70.18 1x5p s THR 55 CO 0.01 0.10 -0.23 -0.31 -0.69 0.00 0.00 174.62 173.50 1x5p s TYR 56 N -1.11 2.43 0.07 4.92 2.02 -1.10 -2.54 117.35 122.04 1x5p s TYR 56 Ca 0.16 -0.36 0.27 0.00 -0.37 0.00 0.00 57.07 56.77 1x5p s TYR 56 Cb -0.10 -1.51 1.46 0.00 -0.40 0.00 0.00 41.96 41.41 1x5p s TYR 56 CO 0.09 0.06 1.81 1.49 -1.57 0.00 0.00 175.55 177.43 1x5p h GLU 57 N 5.27 0.00 -3.45 -0.62 4.57 -1.73 -3.37 114.58 115.26 1x5p h GLU 57 Ca -0.45 0.00 -0.48 0.00 -1.18 0.00 0.00 59.36 57.25 1x5p h GLU 57 Cb 1.13 0.00 -0.40 0.00 -0.16 0.00 0.00 28.75 29.33 1x5p h GLU 57 CO 0.47 0.00 -0.76 0.15 -1.18 0.00 0.00 179.01 177.69 1x5p s LYS 58 N -3.70 0.46 0.31 1.92 1.02 -1.26 -5.01 119.74 113.48 1x5p s LYS 58 Ca -0.03 -0.19 0.13 0.00 0.02 0.00 0.00 55.97 55.90 1x5p s LYS 58 Cb 0.08 -1.73 1.01 0.00 -0.52 0.00 0.00 37.83 36.67 1x5p s LYS 58 CO 0.24 -0.56 1.40 0.00 -0.92 0.00 0.00 175.35 175.51 1x5p n MET 59 N 5.14 -0.06 -0.32 1.68 0.00 -1.26 -0.09 117.12 122.21 1x5p n MET 59 Ca -0.08 1.27 0.02 0.00 0.00 0.00 0.00 57.70 58.91 1x5p n MET 59 Cb 0.48 -2.18 0.08 0.00 0.00 0.00 0.00 33.22 31.61 1x5p n MET 59 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 175.97 175.12 1x5p n GLU 60 N -5.12 -0.14 -0.36 3.17 0.28 -1.26 0.19 120.64 117.41 1x5p n GLU 60 Ca 0.29 1.32 0.01 0.00 -0.16 0.00 0.00 57.16 58.63 1x5p n GLU 60 Cb 0.98 -1.97 0.15 0.00 1.43 0.00 0.00 31.44 32.03 1x5p n GLU 60 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 177.13 177.74 1x5p h SER 61 N 0.00 1.03 -0.93 -1.84 0.02 -0.82 -2.73 113.55 108.28 1x5p h SER 61 Ca 0.36 0.00 0.11 0.00 -0.84 0.00 0.00 61.79 61.42 1x5p h SER 61 Cb 0.57 -0.22 -0.13 0.00 0.14 0.00 0.00 62.40 62.76 1x5p h SER 61 CO -0.87 0.68 -0.50 0.00 -1.14 0.00 0.00 176.83 175.01 1x5p h ALA 62 N 1.42 -0.27 -0.64 3.77 0.00 0.21 0.31 119.26 124.07 1x5p h ALA 62 Ca 0.40 0.17 -0.09 0.00 0.00 0.00 0.00 54.91 55.40 1x5p h ALA 62 Cb 0.09 1.19 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 1x5p h ALA 62 CO -0.15 -0.83 0.05 0.22 0.00 0.00 0.00 179.25 178.54 1x5p h ASP 63 N -0.04 1.06 0.20 0.00 1.82 -1.46 -2.78 116.42 115.22 1x5p h ASP 63 Ca 0.23 -0.28 -0.00 0.00 -0.39 0.00 0.00 57.03 56.58 1x5p h ASP 63 Cb 0.50 -0.28 -0.01 0.00 0.68 0.00 0.00 39.33 40.22 1x5p h ASP 63 CO -0.92 1.08 -0.22 1.56 -1.61 0.00 0.00 179.24 179.14 1x5p h GLN 64 N 1.00 -0.41 -0.39 0.28 4.20 -0.25 -1.22 115.11 118.33 1x5p h GLN 64 Ca 0.19 0.03 0.06 0.00 0.06 0.00 0.00 58.65 58.99 1x5p h GLN 64 Cb 0.51 0.09 -0.09 0.00 0.30 0.00 0.00 27.48 28.29 1x5p h GLN 64 CO 0.02 -0.27 -0.48 0.00 -0.67 0.00 0.00 178.83 177.44 1x5p h ALA 65 N -1.36 -0.57 0.00 3.87 0.00 -0.72 0.73 119.26 121.21 1x5p h ALA 65 Ca -0.02 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1x5p h ALA 65 Cb 0.37 0.97 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1x5p h ALA 65 CO -0.04 -0.94 0.34 0.28 0.00 0.00 0.00 179.25 178.89 1x5p h VAL 66 N -0.37 0.00 0.13 0.00 2.07 -1.41 1.42 116.25 118.08 1x5p h VAL 66 Ca 0.11 0.00 -0.34 0.00 0.82 0.00 0.00 66.70 67.29 1x5p h VAL 66 Cb 0.60 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 1x5p h VAL 66 CO -0.57 0.00 -1.80 0.00 0.02 0.00 0.00 177.57 175.21 1x5p h ALA 67 N 1.28 0.37 0.00 1.67 0.00 0.17 -3.29 119.26 119.45 1x5p h ALA 67 Ca 0.00 -1.28 -0.04 0.00 0.00 0.00 0.00 54.91 53.59 1x5p h ALA 67 Cb 0.68 0.53 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1x5p h ALA 67 CO 0.00 1.24 -1.03 0.39 0.00 0.00 0.00 179.25 179.85 1x5p n GLU 68 N -3.45 0.52 -0.18 0.00 -0.58 0.63 -4.44 120.64 113.14 1x5p n GLU 68 Ca -0.25 0.29 0.22 0.00 -0.42 0.00 0.00 57.16 57.00 1x5p n GLU 68 Cb 1.06 -1.50 0.61 0.00 -0.57 0.00 0.00 31.44 31.04 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 0.21 -9.00 -4.62 3.38 0.15 -3.36 115.31 101.07 1x5p h LEU 69 Ca -0.06 0.02 -0.69 0.00 0.09 0.00 0.00 57.88 57.23 1x5p h LEU 69 Cb 0.96 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.69 1x5p h LEU 69 CO -0.04 0.09 1.09 -3.20 0.09 0.00 0.00 178.44 176.47 1x5p n ASN 70 N -4.41 2.54 -2.11 -0.43 2.85 -1.15 0.22 115.26 112.78 1x5p n ASN 70 Ca 0.17 0.88 -0.20 0.00 -0.11 0.00 0.00 54.58 55.32 1x5p n ASN 70 Cb 0.75 -1.22 -0.04 0.00 1.24 0.00 0.00 39.78 40.52 1x5p n ASN 70 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1x5p n GLY 71 N 4.92 0.35 3.89 8.20 0.00 -0.89 -4.93 105.19 116.73 1x5p n GLY 71 Ca 0.30 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.87 4.88 -0.48 2.61 -1.32 0.13 -4.86 115.64 113.73 1x5p s THR 72 Ca 0.00 0.38 -0.01 0.00 -1.21 0.00 0.00 61.69 60.85 1x5p s THR 72 Cb 0.00 -3.75 0.13 0.00 -1.51 0.00 0.00 72.50 67.37 1x5p s THR 72 CO 0.00 -0.49 0.27 -1.58 -2.21 0.00 0.00 174.62 170.61 1x5p s GLN 73 N -3.84 2.11 -0.05 7.08 0.74 -1.26 0.01 119.66 124.45 1x5p s GLN 73 Ca 0.48 -2.16 0.03 0.00 0.05 0.00 0.00 55.36 53.77 1x5p s GLN 73 Cb -0.10 -3.55 -0.03 0.00 1.10 0.00 0.00 33.01 30.43 1x5p s GLN 73 CO 0.32 -1.09 -0.13 0.14 -0.55 0.00 0.00 175.29 173.98 1x5p s VAL 74 N 0.54 3.15 -1.32 1.34 -7.23 -0.69 -4.57 120.40 111.61 1x5p s VAL 74 Ca 0.12 -0.70 -0.01 0.00 -1.81 0.00 0.00 61.98 59.59 1x5p s VAL 74 Cb -0.22 -2.24 0.01 0.00 0.56 0.00 0.00 36.38 34.48 1x5p s VAL 74 CO -0.04 0.59 0.07 -0.62 -0.31 0.00 0.00 175.10 174.79 1x5p n GLU 75 N 2.28 -2.32 -2.23 4.82 -0.58 -1.26 -0.13 120.64 121.22 1x5p n GLU 75 Ca -0.17 0.74 -0.12 0.00 -0.42 0.00 0.00 57.16 57.18 1x5p n GLU 75 Cb 0.52 -5.38 -0.01 0.00 -0.57 0.00 0.00 31.44 26.01 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 -1.95 -3.85 -3.69 1.62 2.88 -1.26 -5.01 113.62 102.36 1x5p n SER 76 Ca -0.17 -0.01 -0.23 0.00 -1.33 0.00 0.00 58.87 57.14 1x5p n SER 76 Cb 0.63 -3.06 -0.18 0.00 -0.75 0.00 0.00 64.21 60.85 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 -2.60 0.08 -0.63 2.46 1.01 0.81 -5.05 120.40 116.48 1x5p s VAL 77 Ca 0.00 0.14 -0.27 0.00 0.00 0.00 0.00 61.98 61.85 1x5p s VAL 77 Cb 0.00 -0.42 -0.01 0.00 0.00 0.00 0.00 36.38 35.95 1x5p s VAL 77 CO 0.00 0.07 1.73 -1.10 0.00 0.00 0.00 175.10 175.80 1x5p s GLN 78 N 2.08 2.77 0.01 2.72 -0.21 -1.26 -1.71 119.66 124.08 1x5p s GLN 78 Ca 0.04 0.46 -0.19 0.00 0.02 0.00 0.00 55.36 55.69 1x5p s GLN 78 Cb -0.13 -4.33 -0.06 0.00 1.00 0.00 0.00 33.01 29.48 1x5p s GLN 78 CO -0.05 -2.57 0.55 -0.51 -2.12 0.00 0.00 175.29 170.58 1x5p s LEU 79 N 8.28 4.45 -0.28 2.90 1.43 0.10 -4.75 118.68 130.82 1x5p s LEU 79 Ca 0.61 1.14 0.02 0.00 -1.03 0.00 0.00 54.13 54.87 1x5p s LEU 79 Cb -0.12 -2.84 0.06 0.00 0.03 0.00 0.00 46.19 43.32 1x5p s LEU 79 CO 0.20 0.19 -0.08 -0.54 0.23 0.00 0.00 176.35 176.35 1x5p s LYS 80 N -0.56 2.18 -0.07 1.70 1.02 -0.51 -2.09 119.74 121.40 1x5p s LYS 80 Ca 0.29 -1.40 0.01 0.00 0.02 0.00 0.00 55.97 54.88 1x5p s LYS 80 Cb -0.18 -2.97 -0.03 0.00 -0.52 0.00 0.00 37.83 34.13 1x5p s LYS 80 CO 0.17 -0.62 -0.07 0.08 -0.92 0.00 0.00 175.35 173.98 1x5p s VAL 81 N 1.10 3.69 -0.06 3.17 1.01 -1.26 0.20 120.40 128.26 1x5p s VAL 81 Ca -0.06 -0.49 -0.07 0.00 0.00 0.00 0.00 61.98 61.36 1x5p s VAL 81 Cb -0.20 -2.51 0.01 0.00 0.00 0.00 0.00 36.38 33.68 1x5p s VAL 81 CO -0.05 0.59 0.18 0.21 0.00 0.00 0.00 175.10 176.03 1x5p s ASN 82 N -0.83 -0.15 -0.32 3.32 2.47 0.17 -4.46 114.94 115.14 1x5p s ASN 82 Ca 0.13 0.26 -0.28 0.00 0.42 0.00 0.00 52.86 53.39 1x5p s ASN 82 Cb -0.11 0.34 -0.03 0.00 -1.45 0.00 0.00 41.25 40.01 1x5p s ASN 82 CO 0.02 -0.12 1.89 -0.63 -3.72 0.00 0.00 177.10 174.54 1x5p s ILE 83 N -0.18 3.37 1.02 -5.21 -1.09 -1.26 0.03 121.20 117.89 1x5p s ILE 83 Ca -0.03 0.37 -0.15 0.00 -2.23 0.00 0.00 60.65 58.61 1x5p s ILE 83 Cb -0.02 -3.52 0.06 0.00 -1.58 0.00 0.00 42.46 37.39 1x5p s ILE 83 CO 0.01 -0.35 0.19 0.00 -1.23 0.00 0.00 174.94 173.56 1x5p n ALA 84 N 10.78 -3.37 -0.96 9.38 0.00 -1.26 -4.83 120.51 130.25 1x5p n ALA 84 Ca 0.24 -0.91 -0.31 0.00 0.00 0.00 0.00 53.44 52.46 1x5p n ALA 84 Cb 0.47 -1.65 0.02 0.00 0.00 0.00 0.00 19.45 18.28 1x5p n ALA 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1x5p n ARG 85 N -1.71 0.00 -1.12 0.00 1.74 -1.26 -4.64 116.66 109.67 1x5p n ARG 85 Ca 0.04 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 56.74 1x5p n ARG 85 Cb 0.58 -0.83 -0.02 0.00 -1.02 0.00 0.00 32.46 31.16 1x5p n ARG 85 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 1x5p n LYS 86 N 1.56 0.00 -3.59 5.56 2.85 -1.26 -4.93 118.16 118.34 1x5p n LYS 86 Ca 0.04 0.00 -0.28 0.00 -1.05 0.00 0.00 58.31 57.02 1x5p n LYS 86 Cb 0.42 -0.80 -0.11 0.00 -0.65 0.00 0.00 35.03 33.89 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 -0.80 1.46 1.14 -1.58 -0.21 -1.26 -5.09 119.66 113.32 1x5p s GLN 87 Ca 0.51 -2.51 -0.19 0.00 0.02 0.00 0.00 55.36 53.19 1x5p s GLN 87 Cb -0.73 -2.17 0.28 0.00 1.00 0.00 0.00 33.01 31.40 1x5p s GLN 87 CO 0.45 -1.33 1.01 -0.35 -2.12 0.00 0.00 175.29 172.96 1x5p n PRO 88 N 2.63 -3.00 -3.00 2.91 -0.04 -1.26 -4.48 135.00 128.75 1x5p n PRO 88 Ca 0.24 -1.62 -0.44 0.00 -0.04 0.00 0.00 63.50 61.64 1x5p n PRO 88 Cb 0.42 -1.52 0.00 0.00 -0.04 0.00 0.00 33.50 32.37 1x5p n PRO 88 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 1x5p n MET 89 N -4.61 3.91 -1.24 0.54 2.81 -1.26 -5.01 117.12 112.25 1x5p n MET 89 Ca 0.14 -4.27 -0.49 0.00 -1.81 0.00 0.00 57.70 51.27 1x5p n MET 89 Cb 0.55 -2.66 -0.07 0.00 -0.71 0.00 0.00 33.22 30.33 1x5p n MET 89 CO 0.00 0.00 0.00 1.47 1.51 0.00 0.00 175.97 178.95 1x5p n LEU 90 N 2.71 0.21 -0.02 4.03 -0.00 -1.26 -4.87 117.00 117.79 1x5p n LEU 90 Ca 0.29 0.93 -0.07 0.00 -0.00 0.00 0.00 56.01 57.16 1x5p n LEU 90 Cb 0.37 -0.73 -0.02 0.00 -0.00 0.00 0.00 43.42 43.04 1x5p n LEU 90 CO 0.65 -1.33 -0.56 -0.90 -0.00 0.00 0.00 177.39 175.24 1x5p n ASP 91 N 1.64 0.97 -2.93 1.45 5.75 -1.26 -5.01 116.55 117.15 1x5p n ASP 91 Ca 0.18 0.15 -0.21 0.00 -0.01 0.00 0.00 54.79 54.90 1x5p n ASP 91 Cb 0.04 -0.36 0.01 0.00 -1.03 0.00 0.00 41.12 39.78 1x5p n ASP 91 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 1x5p n SER 92 N -3.59 -5.10 0.00 -1.12 2.88 -1.26 -4.30 113.62 101.13 1x5p n SER 92 Ca -0.12 -0.20 0.00 0.00 -1.33 0.00 0.00 58.87 57.22 1x5p n SER 92 Cb 0.43 -4.19 0.00 0.00 -0.75 0.00 0.00 64.21 59.70 1x5p n SER 92 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x5p n GLY 93 N -1.25 -1.01 3.67 0.46 0.00 -1.26 -5.11 105.19 100.70 1x5p n GLY 93 Ca -0.11 0.37 -0.42 0.00 0.00 0.00 0.00 46.02 45.86 1x5p n GLY 93 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5p s PRO 94 N 0.00 4.23 -0.29 1.61 0.04 -1.26 -4.99 135.00 134.34 1x5p s PRO 94 Ca 0.00 2.01 -0.14 0.00 0.04 0.00 0.00 61.00 62.91 1x5p s PRO 94 Cb 0.00 -3.77 0.10 0.00 0.04 0.00 0.00 34.50 30.86 1x5p s PRO 94 CO 0.00 -0.72 0.68 0.45 0.04 0.00 0.00 177.00 177.45 1x5p s SER 95 N 2.50 -1.01 -0.36 6.66 0.15 -1.26 -4.77 113.70 115.61 1x5p s SER 95 Ca 0.66 1.54 -0.29 0.00 0.70 0.00 0.00 55.95 58.56 1x5p s SER 95 Cb -0.31 1.68 0.02 0.00 -1.71 0.00 0.00 66.02 65.71 1x5p s SER 95 CO 0.26 -0.23 1.12 -0.55 1.20 0.00 0.00 173.24 175.03 1x5p s SER 96 N 2.04 6.82 0.00 5.45 0.15 -1.26 -5.21 113.70 121.69 1x5p s SER 96 Ca -0.09 0.92 0.28 0.00 0.70 0.00 0.00 55.95 57.77 1x5p s SER 96 Cb -0.07 -2.54 1.08 0.00 -1.71 0.00 0.00 66.02 62.77 1x5p s SER 96 CO -0.20 -1.00 1.76 0.61 1.20 0.00 0.00 173.24 175.61