#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 4.20 -0.71 1.61 0.01 -1.26 -4.72 113.70 112.84 1x5p s SER 2 Ca 0.00 -1.46 -0.04 0.00 1.31 0.00 0.00 55.95 55.76 1x5p s SER 2 Cb 0.00 -1.34 0.00 0.00 0.21 0.00 0.00 66.02 64.89 1x5p s SER 2 CO 0.00 -0.26 0.53 -0.24 0.41 0.00 0.00 173.24 173.67 1x5p n SER 3 N 4.54 -4.13 -2.13 2.44 2.88 -1.26 -3.85 113.62 112.12 1x5p n SER 3 Ca -0.09 -0.24 -0.06 0.00 -1.33 0.00 0.00 58.87 57.15 1x5p n SER 3 Cb 0.43 -2.78 0.03 0.00 -0.75 0.00 0.00 64.21 61.14 1x5p n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x5p n GLY 4 N -1.23 0.10 0.26 0.46 0.00 -1.26 -4.98 105.19 98.54 1x5p n GLY 4 Ca -0.01 -0.03 -0.16 0.00 0.00 0.00 0.00 46.02 45.82 1x5p n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1x5p h SER 5 N -0.53 -0.52 -6.07 1.61 0.87 -1.87 -3.47 113.55 103.58 1x5p h SER 5 Ca -0.24 -0.02 -0.43 0.00 -1.23 0.00 0.00 61.79 59.87 1x5p h SER 5 Cb 1.13 0.13 0.05 0.00 -0.44 0.00 0.00 62.40 63.27 1x5p h SER 5 CO 0.18 -0.32 -0.75 -1.20 -0.53 0.00 0.00 176.83 174.22 1x5p n SER 6 N -5.33 -4.43 0.01 6.23 7.64 -1.26 -4.94 113.62 111.54 1x5p n SER 6 Ca -0.11 -0.70 -0.00 0.00 1.01 0.00 0.00 58.87 59.07 1x5p n SER 6 Cb 0.27 -4.39 -0.00 0.00 -1.01 0.00 0.00 64.21 59.08 1x5p n SER 6 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1x5p h GLY 7 N -2.23 -0.02 -1.74 0.23 0.00 -2.03 -3.46 103.07 93.82 1x5p h GLY 7 Ca -0.58 0.01 -0.52 0.00 0.00 0.00 0.00 47.33 46.24 1x5p h GLY 7 CO 0.60 -0.01 0.38 -1.83 0.00 0.00 0.00 176.54 175.69 1x5p s GLU 8 N -1.83 2.55 -0.13 4.80 1.03 -1.26 -4.89 118.70 118.96 1x5p s GLU 8 Ca -0.00 1.55 -0.00 0.00 0.03 0.00 0.00 54.97 56.55 1x5p s GLU 8 Cb 0.00 -1.91 0.11 0.00 -0.80 0.00 0.00 34.13 31.54 1x5p s GLU 8 CO 0.01 -1.47 1.78 2.89 -1.33 0.00 0.00 175.26 177.14 1x5p n ARG 9 N -2.48 1.35 -3.89 -4.83 0.00 -1.26 -4.76 116.66 100.78 1x5p n ARG 9 Ca 0.12 -0.71 -0.29 0.00 -0.00 0.00 0.00 57.85 56.96 1x5p n ARG 9 Cb 0.51 -1.28 0.03 0.00 -0.00 0.00 0.00 32.46 31.72 1x5p n ARG 9 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 1x5p n ARG 10 N 0.73 -5.55 -1.17 2.89 0.63 -1.26 -4.85 116.66 108.08 1x5p n ARG 10 Ca 0.14 0.61 -0.37 0.00 -0.92 0.00 0.00 57.85 57.31 1x5p n ARG 10 Cb 0.60 -5.47 0.01 0.00 0.45 0.00 0.00 32.46 28.05 1x5p n ARG 10 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1x5p n ALA 11 N -4.66 -3.13 -1.04 5.13 0.00 -1.26 -4.94 120.51 110.61 1x5p n ALA 11 Ca 0.01 -0.08 -0.13 0.00 0.00 0.00 0.00 53.44 53.24 1x5p n ALA 11 Cb 0.54 -1.32 0.16 0.00 0.00 0.00 0.00 19.45 18.83 1x5p n ALA 11 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1x5p n PRO 12 N 1.48 -2.39 0.03 0.00 -0.04 -1.26 -5.05 135.00 127.77 1x5p n PRO 12 Ca 0.07 -1.13 0.00 0.00 -0.04 0.00 0.00 63.50 62.40 1x5p n PRO 12 Cb 0.45 -1.06 0.00 0.00 -0.04 0.00 0.00 33.50 32.85 1x5p n PRO 12 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1x5p n ARG 13 N -3.66 0.00 -3.14 0.54 3.00 -1.26 -5.06 116.66 107.09 1x5p n ARG 13 Ca 0.10 0.00 -0.14 0.00 -0.00 0.00 0.00 57.85 57.80 1x5p n ARG 13 Cb 0.38 -0.40 0.05 0.00 0.00 0.00 0.00 32.46 32.49 1x5p n ARG 13 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 1x5p n LYS 14 N -3.19 -4.99 -3.36 -0.14 4.81 -1.26 -4.96 118.16 105.07 1x5p n LYS 14 Ca 0.00 0.55 -0.44 0.00 -0.87 0.00 0.00 58.31 57.55 1x5p n LYS 14 Cb 0.21 -4.72 -0.01 0.00 0.02 0.00 0.00 35.03 30.52 1x5p n LYS 14 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1x5p n GLY 15 N -1.37 4.26 0.00 3.14 0.00 -1.26 -4.60 105.19 105.36 1x5p n GLY 15 Ca -0.05 -2.60 0.00 0.00 0.00 0.00 0.00 46.02 43.37 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 2.54 2.71 -4.88 1.61 6.94 -1.26 -4.07 115.26 118.85 1x5p n ASN 16 Ca 0.24 0.00 -0.30 0.00 -0.02 0.00 0.00 54.58 54.50 1x5p n ASN 16 Cb 0.38 0.04 -0.03 0.00 -2.36 0.00 0.00 39.78 37.81 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 -1.66 4.82 -0.05 5.53 2.01 -1.26 -1.26 115.64 123.77 1x5p s THR 17 Ca 0.00 0.56 -0.00 0.00 0.31 0.00 0.00 61.69 62.56 1x5p s THR 17 Cb 0.00 -3.72 0.03 0.00 0.01 0.00 0.00 72.50 68.82 1x5p s THR 17 CO 0.00 -0.45 -0.01 -0.76 -0.69 0.00 0.00 174.62 172.71 1x5p s LEU 18 N -3.70 0.99 -0.56 4.42 1.43 -0.73 -4.33 118.68 116.21 1x5p s LEU 18 Ca 0.50 -0.07 -0.26 0.00 -1.03 0.00 0.00 54.13 53.27 1x5p s LEU 18 Cb -0.10 -0.34 0.03 0.00 0.03 0.00 0.00 46.19 45.81 1x5p s LEU 18 CO 0.30 -0.12 1.07 -0.47 0.23 0.00 0.00 176.35 177.35 1x5p s TYR 19 N 1.32 2.71 -0.03 0.29 6.14 0.12 -2.33 117.35 125.58 1x5p s TYR 19 Ca -0.05 0.25 -0.01 0.00 0.64 0.00 0.00 57.07 57.91 1x5p s TYR 19 Cb -0.13 -4.30 -0.04 0.00 0.42 0.00 0.00 41.96 37.91 1x5p s TYR 19 CO -0.02 -1.44 0.05 0.08 0.64 0.00 0.00 175.55 174.86 1x5p s VAL 20 N 4.44 4.57 -0.06 3.14 1.01 0.26 -0.56 120.40 133.21 1x5p s VAL 20 Ca 0.38 -0.39 -0.02 0.00 0.00 0.00 0.00 61.98 61.95 1x5p s VAL 20 Cb -0.10 -3.04 0.03 0.00 0.00 0.00 0.00 36.38 33.27 1x5p s VAL 20 CO 0.23 0.42 0.04 -0.47 0.00 0.00 0.00 175.10 175.32 1x5p s TYR 21 N -1.10 0.32 0.23 5.22 6.14 0.73 -0.42 117.35 128.47 1x5p s TYR 21 Ca 0.20 0.07 0.03 0.00 0.64 0.00 0.00 57.07 58.01 1x5p s TYR 21 Cb -0.12 -0.62 -0.01 0.00 0.42 0.00 0.00 41.96 41.63 1x5p s TYR 21 CO 0.10 -0.25 0.11 0.41 0.64 0.00 0.00 175.55 176.55 1x5p n GLY 22 N 5.24 3.54 0.88 8.97 0.00 -0.92 -1.33 105.19 121.56 1x5p n GLY 22 Ca -0.05 -1.98 -0.00 0.00 0.00 0.00 0.00 46.02 44.00 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 -0.50 0.00 -2.11 1.61 4.71 -1.26 -4.70 120.64 118.38 1x5p n GLU 23 Ca -0.01 0.00 -0.36 0.00 -0.01 0.00 0.00 57.16 56.77 1x5p n GLU 23 Cb 0.36 -0.06 0.03 0.00 -1.01 0.00 0.00 31.44 30.75 1x5p n GLU 23 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1x5p n ASP 24 N -2.51 6.72 -4.49 1.62 8.00 -1.26 -4.99 116.55 119.65 1x5p n ASP 24 Ca -0.00 -3.80 -0.28 0.00 0.71 0.00 0.00 54.79 51.42 1x5p n ASP 24 Cb 0.00 -0.90 -0.11 0.00 -0.02 0.00 0.00 41.12 40.09 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 -3.93 1.77 0.21 -1.24 0.23 -1.26 -4.93 119.30 110.14 1x5p s MET 25 Ca 0.50 -1.27 0.09 0.00 -1.03 0.00 0.00 55.69 53.99 1x5p s MET 25 Cb 0.42 -2.06 -0.05 0.00 -1.53 0.00 0.00 34.83 31.61 1x5p s MET 25 CO -0.34 0.46 -0.17 0.95 -2.03 0.00 0.00 175.02 173.88 1x5p s THR 26 N -1.33 1.94 0.09 3.16 -4.23 -1.26 -5.05 115.64 108.96 1x5p s THR 26 Ca 0.19 -2.16 -0.25 0.00 -1.18 0.00 0.00 61.69 58.29 1x5p s THR 26 Cb -0.10 -2.04 -0.09 0.00 1.34 0.00 0.00 72.50 71.61 1x5p s THR 26 CO 0.11 -0.46 1.40 -0.65 -0.54 0.00 0.00 174.62 174.48 1x5p h PRO 27 N 2.72 -0.38 -1.17 3.99 0.11 -1.99 -0.62 132.00 134.66 1x5p h PRO 27 Ca -0.40 0.03 0.41 0.00 0.11 0.00 0.00 66.00 66.15 1x5p h PRO 27 Cb 1.22 0.09 -0.15 0.00 0.11 0.00 0.00 31.00 32.27 1x5p h PRO 27 CO 0.58 -0.26 0.71 1.15 -0.21 0.00 0.00 178.00 179.97 1x5p h THR 28 N -0.40 0.12 0.09 -1.15 2.02 -2.00 0.39 112.91 111.99 1x5p h THR 28 Ca 0.03 -0.04 -0.00 0.00 0.77 0.00 0.00 66.41 67.17 1x5p h THR 28 Cb 0.49 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.90 1x5p h THR 28 CO -0.35 0.02 -0.05 0.25 0.37 0.00 0.00 175.52 175.77 1x5p h LEU 29 N 0.11 -0.11 -1.84 2.58 6.46 -1.55 -2.89 115.31 118.08 1x5p h LEU 29 Ca 0.81 -0.24 0.09 0.00 -0.12 0.00 0.00 57.88 58.42 1x5p h LEU 29 Cb 2.30 0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 42.24 1x5p h LEU 29 CO -0.56 0.19 0.30 -0.07 -0.62 0.00 0.00 178.44 177.69 1x5p h LEU 30 N -0.41 0.16 -0.76 2.25 3.38 0.32 0.42 115.31 120.66 1x5p h LEU 30 Ca -0.01 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.98 1x5p h LEU 30 Cb 0.34 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.02 1x5p h LEU 30 CO 0.02 0.10 0.50 0.03 0.09 0.00 0.00 178.44 179.18 1x5p h ARG 31 N 0.18 0.96 -0.00 1.13 3.08 -1.02 0.34 114.38 119.06 1x5p h ARG 31 Ca 0.20 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.20 1x5p h ARG 31 Cb 0.57 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.40 1x5p h ARG 31 CO -0.03 0.64 -0.54 0.41 -1.07 0.00 0.00 179.97 179.38 1x5p n GLY 32 N -1.31 -1.10 0.10 0.04 0.00 -0.49 -2.39 105.19 100.04 1x5p n GLY 32 Ca 0.08 -0.40 -0.13 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.35 1.31 0.08 4.61 0.00 0.02 -4.20 120.51 120.97 1x5p n ALA 33 Ca 0.06 -0.82 0.11 0.00 0.00 0.00 0.00 53.44 52.80 1x5p n ALA 33 Cb 0.34 -0.65 -0.09 0.00 0.00 0.00 0.00 19.45 19.04 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 -3.15 0.39 -0.11 0.00 3.01 0.11 -4.30 117.46 113.41 1x5p n PHE 34 Ca -0.26 0.11 -0.09 0.00 1.01 0.00 0.00 57.45 58.23 1x5p n PHE 34 Cb 1.06 -0.67 -0.01 0.00 -0.01 0.00 0.00 39.48 39.85 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 0.45 0.00 4.37 0.87 -1.62 -2.37 113.55 115.25 1x5p h SER 35 Ca 0.00 -0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.45 1x5p h SER 35 Cb 0.98 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.82 1x5p h SER 35 CO 0.00 0.43 0.53 -0.65 -0.53 0.00 0.00 176.83 176.61 1x5p h PRO 36 N 0.44 0.00 0.03 2.24 0.11 -1.75 0.65 132.00 133.72 1x5p h PRO 36 Ca 0.12 0.00 -0.34 0.00 0.11 0.00 0.00 66.00 65.90 1x5p h PRO 36 Cb 0.09 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.15 1x5p h PRO 36 CO -0.02 0.00 -2.01 1.19 -0.21 0.00 0.00 178.00 176.95 1x5p n PHE 37 N -2.38 0.74 0.00 0.65 3.01 -0.90 -5.08 117.46 113.50 1x5p n PHE 37 Ca -0.01 0.22 0.00 0.00 1.01 0.00 0.00 57.45 58.67 1x5p n PHE 37 Cb 0.55 -1.12 0.00 0.00 -0.01 0.00 0.00 39.48 38.90 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 1.78 0.73 3.17 1.37 0.00 0.23 -4.87 105.19 107.60 1x5p n GLY 38 Ca -0.27 0.29 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 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 2.53 -0.41 1.61 2.47 -1.26 -4.56 114.94 117.32 1x5p s ASN 39 Ca 0.00 -0.43 -0.18 0.00 0.42 0.00 0.00 52.86 52.67 1x5p s ASN 39 Cb 0.00 -0.87 0.02 0.00 -1.45 0.00 0.00 41.25 38.95 1x5p s ASN 39 CO 0.00 0.16 0.50 -0.63 -3.72 0.00 0.00 177.10 173.41 1x5p s ILE 40 N 0.15 5.01 -0.21 -5.21 1.01 -1.26 -2.49 121.20 118.20 1x5p s ILE 40 Ca -0.09 -0.13 0.22 0.00 0.00 0.00 0.00 60.65 60.66 1x5p s ILE 40 Cb -0.14 -4.07 -0.26 0.00 0.01 0.00 0.00 42.46 38.00 1x5p s ILE 40 CO 0.04 -0.44 0.65 2.30 0.00 0.00 0.00 174.94 177.49 1x5p n ILE 41 N 5.55 0.10 -3.39 2.92 -5.35 -0.84 -4.85 119.36 113.50 1x5p n ILE 41 Ca -0.05 -0.43 -0.13 0.00 -0.27 0.00 0.00 62.75 61.86 1x5p n ILE 41 Cb 0.48 0.07 -0.09 0.00 -1.74 0.00 0.00 39.64 38.36 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 -4.43 0.85 -0.26 7.28 2.15 -1.24 -4.99 116.67 116.03 1x5p s ASP 42 Ca -0.04 -0.16 0.00 0.00 0.43 0.00 0.00 52.55 52.78 1x5p s ASP 42 Cb 0.14 0.80 0.07 0.00 -0.30 0.00 0.00 42.92 43.63 1x5p s ASP 42 CO 0.88 -0.33 0.01 -0.22 -0.17 0.00 0.00 175.17 175.34 1x5p s LEU 43 N 2.45 2.49 -0.05 -1.34 2.96 -1.25 -0.01 118.68 123.93 1x5p s LEU 43 Ca 0.10 -1.33 0.05 0.00 -0.22 0.00 0.00 54.13 52.73 1x5p s LEU 43 Cb -0.15 -1.05 -0.02 0.00 0.50 0.00 0.00 46.19 45.47 1x5p s LEU 43 CO -0.20 -0.31 -0.20 -0.44 -1.32 0.00 0.00 176.35 173.88 1x5p s SER 44 N 1.47 3.50 -0.15 3.68 0.01 -1.07 -4.96 113.70 116.19 1x5p s SER 44 Ca 0.01 -0.37 0.02 0.00 1.31 0.00 0.00 55.95 56.92 1x5p s SER 44 Cb -0.18 -0.76 0.01 0.00 0.21 0.00 0.00 66.02 65.31 1x5p s SER 44 CO -0.11 0.30 -0.20 -0.04 0.41 0.00 0.00 173.24 173.60 1x5p s MET 45 N -0.46 2.81 -0.49 12.44 -1.94 -1.26 -0.91 119.30 129.48 1x5p s MET 45 Ca 0.05 -0.77 -0.02 0.00 -1.71 0.00 0.00 55.69 53.25 1x5p s MET 45 Cb -0.12 -2.35 0.13 0.00 2.01 0.00 0.00 34.83 34.50 1x5p s MET 45 CO 0.01 -0.10 0.28 -0.51 -0.01 0.00 0.00 175.02 174.69 1x5p s ASP 46 N 1.05 5.13 0.28 3.03 1.01 -0.13 -4.97 116.67 122.07 1x5p s ASP 46 Ca -0.02 -2.43 0.02 0.00 0.71 0.00 0.00 52.55 50.83 1x5p s ASP 46 Cb -0.14 -1.81 0.68 0.00 1.01 0.00 0.00 42.92 42.66 1x5p s ASP 46 CO -0.06 -0.44 1.69 -0.65 0.21 0.00 0.00 175.17 175.92 1x5p h PRO 47 N 7.50 0.36 -0.80 8.23 0.11 -1.95 0.13 132.00 145.57 1x5p h PRO 47 Ca -0.08 -0.02 0.19 0.00 0.11 0.00 0.00 66.00 66.20 1x5p h PRO 47 Cb 1.00 -0.08 -0.12 0.00 0.11 0.00 0.00 31.00 31.90 1x5p h PRO 47 CO 0.69 0.24 0.22 -1.35 -0.21 0.00 0.00 178.00 177.59 1x5p h PRO 48 N 0.37 0.27 -0.53 1.05 0.11 -1.94 0.14 132.00 131.46 1x5p h PRO 48 Ca 0.54 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.63 1x5p h PRO 48 Cb 1.01 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.06 1x5p h PRO 48 CO -0.54 0.18 0.00 0.54 -0.21 0.00 0.00 178.00 177.97 1x5p n ARG 49 N -5.16 3.31 -4.13 1.05 5.12 -0.45 -4.95 116.66 111.45 1x5p n ARG 49 Ca 0.17 -2.66 -0.36 0.00 -1.93 0.00 0.00 57.85 53.07 1x5p n ARG 49 Cb 0.55 -1.70 -0.07 0.00 -1.16 0.00 0.00 32.46 30.07 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 0.79 -1.23 -4.05 0.55 3.02 0.49 -4.87 115.26 109.96 1x5p n ASN 50 Ca 0.22 -1.08 -0.19 0.00 -0.03 0.00 0.00 54.58 53.49 1x5p n ASN 50 Cb 0.75 -1.38 -0.09 0.00 -0.61 0.00 0.00 39.78 38.45 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 -3.56 -0.76 -0.31 0.00 0.00 0.44 -0.96 121.76 116.62 1x5p s ALA 52 Ca 0.35 -0.22 0.02 0.00 0.00 0.00 0.00 51.96 52.10 1x5p s ALA 52 Cb 0.05 0.71 0.09 0.00 0.00 0.00 0.00 23.12 23.97 1x5p s ALA 52 CO 0.17 -0.65 0.04 -0.06 0.00 0.00 0.00 175.76 175.25 1x5p s PHE 53 N -3.84 2.86 -0.32 0.00 0.08 -0.09 -0.57 117.98 116.10 1x5p s PHE 53 Ca 0.05 -2.36 -0.13 0.00 0.12 0.00 0.00 56.93 54.62 1x5p s PHE 53 Cb 0.02 -2.27 -0.03 0.00 -0.57 0.00 0.00 43.02 40.17 1x5p s PHE 53 CO -0.09 -0.89 0.27 0.08 -0.10 0.00 0.00 175.22 174.48 1x5p s VAL 54 N 1.22 5.26 -0.18 -0.44 1.01 -0.98 -2.59 120.40 123.69 1x5p s VAL 54 Ca 0.07 0.03 -0.09 0.00 0.00 0.00 0.00 61.98 61.98 1x5p s VAL 54 Cb -0.18 -3.69 -0.05 0.00 0.00 0.00 0.00 36.38 32.46 1x5p s VAL 54 CO -0.13 0.06 0.13 -0.89 0.00 0.00 0.00 175.10 174.27 1x5p s THR 55 N 1.83 5.40 0.00 3.92 2.01 0.98 -1.77 115.64 128.02 1x5p s THR 55 Ca 0.08 0.18 -0.03 0.00 0.31 0.00 0.00 61.69 62.24 1x5p s THR 55 Cb -0.17 -3.44 -0.04 0.00 0.01 0.00 0.00 72.50 68.87 1x5p s THR 55 CO 0.11 0.48 0.20 -0.31 -0.69 0.00 0.00 174.62 174.41 1x5p s TYR 56 N 0.03 3.55 0.61 4.92 2.02 -0.39 -1.98 117.35 126.11 1x5p s TYR 56 Ca 0.09 0.37 0.32 0.00 -0.37 0.00 0.00 57.07 57.49 1x5p s TYR 56 Cb -0.11 -1.84 1.94 0.00 -0.40 0.00 0.00 41.96 41.55 1x5p s TYR 56 CO -0.00 0.63 2.28 1.49 -1.57 0.00 0.00 175.55 178.38 1x5p h GLU 57 N 3.73 0.00 -5.27 -0.62 4.57 -1.83 -3.43 114.58 111.73 1x5p h GLU 57 Ca -0.48 0.00 -0.38 0.00 -1.18 0.00 0.00 59.36 57.31 1x5p h GLU 57 Cb 1.18 0.00 -0.17 0.00 -0.16 0.00 0.00 28.75 29.61 1x5p h GLU 57 CO 0.70 0.00 -0.74 0.15 -1.18 0.00 0.00 179.01 177.94 1x5p s LYS 58 N -4.55 1.04 0.02 1.92 1.02 -1.26 -5.06 119.74 112.87 1x5p s LYS 58 Ca -0.05 -1.32 -0.24 0.00 0.02 0.00 0.00 55.97 54.39 1x5p s LYS 58 Cb 0.15 -0.80 -0.17 0.00 -0.52 0.00 0.00 37.83 36.49 1x5p s LYS 58 CO 0.52 0.14 1.41 0.00 -0.92 0.00 0.00 175.35 176.49 1x5p h MET 59 N 3.24 0.09 -0.80 1.68 -0.00 -1.83 -3.21 114.93 114.11 1x5p h MET 59 Ca -0.38 -0.03 0.14 0.00 -0.00 0.00 0.00 59.70 59.43 1x5p h MET 59 Cb 1.20 -0.01 -0.14 0.00 -0.00 0.00 0.00 31.60 32.65 1x5p h MET 59 CO 0.55 0.42 -0.25 -0.85 -0.00 0.00 0.00 176.91 176.79 1x5p n GLU 60 N -4.85 -0.12 -0.05 -0.10 0.28 -1.26 0.84 120.64 115.37 1x5p n GLU 60 Ca -0.07 1.23 -0.08 0.00 -0.16 0.00 0.00 57.16 58.08 1x5p n GLU 60 Cb 0.21 -1.84 -0.01 0.00 1.43 0.00 0.00 31.44 31.23 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 -0.62 -0.49 -1.84 0.02 -1.89 -0.82 113.55 107.92 1x5p h SER 61 Ca 0.34 0.12 0.05 0.00 -0.84 0.00 0.00 61.79 61.45 1x5p h SER 61 Cb 0.53 0.31 -0.06 0.00 0.14 0.00 0.00 62.40 63.32 1x5p h SER 61 CO -0.81 -0.23 -0.32 0.00 -1.14 0.00 0.00 176.83 174.33 1x5p h ALA 62 N 0.92 -0.35 -0.52 3.77 0.00 0.35 0.33 119.26 123.76 1x5p h ALA 62 Ca 0.14 0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.16 1x5p h ALA 62 Cb 0.40 1.16 -0.05 0.00 0.00 0.00 0.00 17.79 19.29 1x5p h ALA 62 CO -0.36 -0.57 0.23 0.38 0.00 0.00 0.00 179.25 178.94 1x5p h ASP 63 N -0.04 0.30 0.11 0.00 3.04 -1.35 -1.88 116.42 116.60 1x5p h ASP 63 Ca 0.08 0.04 0.00 0.00 -3.24 0.00 0.00 57.03 53.92 1x5p h ASP 63 Cb 0.25 -0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 38.51 1x5p h ASP 63 CO -0.48 0.20 -0.28 1.56 -2.04 0.00 0.00 179.24 178.20 1x5p h GLN 64 N 0.45 -0.42 -0.31 4.15 4.20 0.51 -0.30 115.11 123.38 1x5p h GLN 64 Ca 0.24 0.03 0.06 0.00 0.06 0.00 0.00 58.65 59.04 1x5p h GLN 64 Cb 0.20 0.10 -0.08 0.00 0.30 0.00 0.00 27.48 28.00 1x5p h GLN 64 CO -0.20 -0.28 -0.45 0.00 -0.67 0.00 0.00 178.83 177.22 1x5p h ALA 65 N -1.07 -0.56 0.00 3.87 0.00 -0.33 0.67 119.26 121.84 1x5p h ALA 65 Ca -0.01 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1x5p h ALA 65 Cb 0.42 0.91 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1x5p h ALA 65 CO -0.13 -0.93 0.22 0.28 0.00 0.00 0.00 179.25 178.69 1x5p h VAL 66 N -0.40 0.00 0.07 0.00 2.07 -1.17 1.40 116.25 118.22 1x5p h VAL 66 Ca 0.10 0.00 -0.34 0.00 0.82 0.00 0.00 66.70 67.28 1x5p h VAL 66 Cb 0.61 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 1x5p h VAL 66 CO -0.52 0.00 -1.94 0.00 0.02 0.00 0.00 177.57 175.13 1x5p n ALA 67 N -1.75 1.14 -0.09 1.67 0.00 0.21 -3.78 120.51 117.90 1x5p n ALA 67 Ca -0.02 -0.70 -0.12 0.00 0.00 0.00 0.00 53.44 52.61 1x5p n ALA 67 Cb 0.25 -0.69 -0.04 0.00 0.00 0.00 0.00 19.45 18.97 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 -3.30 0.53 0.09 0.00 -0.58 0.30 -4.42 120.64 113.26 1x5p n GLU 68 Ca -0.28 0.29 0.19 0.00 -0.42 0.00 0.00 57.16 56.94 1x5p n GLU 68 Cb 1.05 -1.50 0.75 0.00 -0.57 0.00 0.00 31.44 31.17 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 -8.82 -4.62 3.38 0.15 -3.38 115.31 101.03 1x5p h LEU 69 Ca -0.12 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 57.18 1x5p h LEU 69 Cb 1.02 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.76 1x5p h LEU 69 CO -0.07 0.00 1.27 -3.20 0.09 0.00 0.00 178.44 176.53 1x5p n ASN 70 N -4.00 2.50 -2.83 -0.43 5.15 -1.15 -0.39 115.26 114.10 1x5p n ASN 70 Ca 0.07 0.63 -0.22 0.00 -0.60 0.00 0.00 54.58 54.46 1x5p n ASN 70 Cb 0.53 -1.28 0.02 0.00 -0.53 0.00 0.00 39.78 38.52 1x5p n ASN 70 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1x5p n GLY 71 N 5.67 -0.51 3.93 8.20 0.00 -0.84 -4.94 105.19 116.70 1x5p n GLY 71 Ca 0.34 0.08 -0.25 0.00 0.00 0.00 0.00 46.02 46.20 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 -3.09 4.63 -0.41 2.61 -1.32 0.48 -4.88 115.64 113.65 1x5p s THR 72 Ca 0.21 -0.24 0.04 0.00 -1.21 0.00 0.00 61.69 60.49 1x5p s THR 72 Cb -0.09 -3.73 0.11 0.00 -1.51 0.00 0.00 72.50 67.28 1x5p s THR 72 CO 0.26 -0.58 0.14 -1.58 -2.21 0.00 0.00 174.62 170.65 1x5p s GLN 73 N -4.56 1.65 -0.02 7.08 0.74 -1.26 -1.02 119.66 122.26 1x5p s GLN 73 Ca 0.45 -2.15 0.06 0.00 0.05 0.00 0.00 55.36 53.77 1x5p s GLN 73 Cb -0.10 -3.19 -0.02 0.00 1.10 0.00 0.00 33.01 30.80 1x5p s GLN 73 CO 0.40 -1.02 -0.20 0.14 -0.55 0.00 0.00 175.29 174.06 1x5p s VAL 74 N 0.43 2.59 -1.38 1.34 -7.23 -0.63 -4.63 120.40 110.90 1x5p s VAL 74 Ca 0.14 -0.98 -0.04 0.00 -1.81 0.00 0.00 61.98 59.29 1x5p s VAL 74 Cb -0.22 -1.98 0.02 0.00 0.56 0.00 0.00 36.38 34.76 1x5p s VAL 74 CO -0.05 0.54 0.35 -0.62 -0.31 0.00 0.00 175.10 175.00 1x5p n GLU 75 N 2.21 -3.38 -2.30 4.82 -0.58 -1.26 -0.23 120.64 119.93 1x5p n GLU 75 Ca -0.17 0.71 -0.17 0.00 -0.42 0.00 0.00 57.16 57.12 1x5p n GLU 75 Cb 0.52 -5.44 -0.01 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 -2.21 -4.98 -3.77 1.62 7.64 -1.26 -4.99 113.62 105.67 1x5p n SER 76 Ca -0.11 -0.00 -0.19 0.00 1.01 0.00 0.00 58.87 59.58 1x5p n SER 76 Cb 0.60 -4.07 -0.17 0.00 -1.01 0.00 0.00 64.21 59.56 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 -2.84 0.13 -0.31 0.44 1.01 0.68 -5.01 120.40 114.51 1x5p s VAL 77 Ca 0.00 0.18 -0.29 0.00 0.00 0.00 0.00 61.98 61.87 1x5p s VAL 77 Cb 0.00 -0.28 0.01 0.00 0.00 0.00 0.00 36.38 36.11 1x5p s VAL 77 CO 0.00 0.17 1.16 -1.10 0.00 0.00 0.00 175.10 175.34 1x5p s GLN 78 N 1.49 4.02 -0.07 2.72 -0.21 -1.26 -1.60 119.66 124.75 1x5p s GLN 78 Ca -0.03 1.16 -0.02 0.00 0.02 0.00 0.00 55.36 56.49 1x5p s GLN 78 Cb -0.13 -3.79 -0.03 0.00 1.00 0.00 0.00 33.01 30.06 1x5p s GLN 78 CO -0.03 -0.97 0.03 -0.51 -2.12 0.00 0.00 175.29 171.69 1x5p s LEU 79 N 3.89 3.73 -0.26 2.90 1.43 -0.19 -4.43 118.68 125.75 1x5p s LEU 79 Ca 0.50 0.17 0.02 0.00 -1.03 0.00 0.00 54.13 53.79 1x5p s LEU 79 Cb -0.14 -1.93 0.07 0.00 0.03 0.00 0.00 46.19 44.21 1x5p s LEU 79 CO 0.18 0.36 -0.07 -0.54 0.23 0.00 0.00 176.35 176.51 1x5p s LYS 80 N -1.09 1.88 -0.08 1.70 1.02 -0.44 -1.99 119.74 120.74 1x5p s LYS 80 Ca 0.15 -1.26 -0.01 0.00 0.02 0.00 0.00 55.97 54.87 1x5p s LYS 80 Cb -0.12 -2.78 -0.03 0.00 -0.52 0.00 0.00 37.83 34.38 1x5p s LYS 80 CO 0.05 -0.63 -0.03 0.08 -0.92 0.00 0.00 175.35 173.89 1x5p s VAL 81 N 1.21 4.01 -0.05 3.17 1.01 -1.26 -0.19 120.40 128.30 1x5p s VAL 81 Ca -0.05 -0.36 -0.08 0.00 0.00 0.00 0.00 61.98 61.49 1x5p s VAL 81 Cb -0.19 -2.67 0.02 0.00 0.00 0.00 0.00 36.38 33.53 1x5p s VAL 81 CO -0.06 0.59 0.20 0.20 0.00 0.00 0.00 175.10 176.03 1x5p s ASN 82 N -0.74 -0.16 -0.67 3.32 0.01 0.28 -4.50 114.94 112.49 1x5p s ASN 82 Ca 0.11 0.24 -0.26 0.00 -0.71 0.00 0.00 52.86 52.24 1x5p s ASN 82 Cb -0.11 0.37 -0.02 0.00 0.41 0.00 0.00 41.25 41.89 1x5p s ASN 82 CO 0.02 -0.18 1.84 -0.63 -1.51 0.00 0.00 177.10 176.64 1x5p s ILE 83 N -0.39 3.39 -0.92 0.60 -1.09 -1.26 -0.70 121.20 120.83 1x5p s ILE 83 Ca -0.05 0.12 -0.26 0.00 -2.23 0.00 0.00 60.65 58.23 1x5p s ILE 83 Cb -0.03 -4.01 -0.14 0.00 -1.58 0.00 0.00 42.46 36.69 1x5p s ILE 83 CO 0.01 -0.98 2.22 0.00 -1.23 0.00 0.00 174.94 174.96 1x5p s ALA 84 N 9.01 0.86 0.40 9.38 0.00 -1.26 -4.75 121.76 135.39 1x5p s ALA 84 Ca 0.66 -1.21 0.22 0.00 0.00 0.00 0.00 51.96 51.63 1x5p s ALA 84 Cb -0.11 -4.62 1.24 0.00 0.00 0.00 0.00 23.12 19.63 1x5p s ALA 84 CO 0.17 -5.99 1.67 -0.09 0.00 0.00 0.00 175.76 171.53 1x5p h ARG 85 N 11.93 0.23 -4.05 0.00 2.43 -1.94 -3.22 114.38 119.75 1x5p h ARG 85 Ca 0.04 -0.01 -0.77 0.00 -0.81 0.00 0.00 59.98 58.43 1x5p h ARG 85 Cb 1.00 -0.05 -0.24 0.00 -0.42 0.00 0.00 29.97 30.25 1x5p h ARG 85 CO 1.06 0.15 -0.09 -1.59 -1.51 0.00 0.00 179.97 177.98 1x5p s LYS 86 N -5.46 3.19 -0.91 0.20 -2.85 -1.26 -4.99 119.74 107.67 1x5p s LYS 86 Ca -0.09 -1.92 -0.04 0.00 -1.00 0.00 0.00 55.97 52.92 1x5p s LYS 86 Cb 0.29 -4.35 0.23 0.00 -2.06 0.00 0.00 37.83 31.94 1x5p s LYS 86 CO 0.80 -1.33 0.81 -0.65 0.10 0.00 0.00 175.35 175.08 1x5p s GLN 87 N 1.22 3.40 0.00 1.78 -0.21 -1.22 -4.87 119.66 119.76 1x5p s GLN 87 Ca 0.08 -3.16 0.15 0.00 0.02 0.00 0.00 55.36 52.46 1x5p s GLN 87 Cb -0.23 -4.07 0.87 0.00 1.00 0.00 0.00 33.01 30.57 1x5p s GLN 87 CO -0.01 -1.25 1.37 -0.35 -2.12 0.00 0.00 175.29 172.93 1x5p n PRO 88 N 2.59 0.39 -3.06 2.91 -0.04 -1.26 -4.48 135.00 132.04 1x5p n PRO 88 Ca 0.20 0.05 -0.45 0.00 -0.04 0.00 0.00 63.50 63.27 1x5p n PRO 88 Cb 0.38 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.30 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 -2.21 3.24 -0.13 0.54 1.75 -1.26 -5.02 119.30 116.21 1x5p s MET 89 Ca 0.20 -1.49 0.01 0.00 -1.25 0.00 0.00 55.69 53.16 1x5p s MET 89 Cb 0.10 -4.42 -0.00 0.00 2.84 0.00 0.00 34.83 33.35 1x5p s MET 89 CO 0.20 -1.60 -0.18 -0.51 -0.65 0.00 0.00 175.02 172.28 1x5p s LEU 90 N 2.56 2.38 -0.89 4.11 1.43 -1.26 -5.06 118.68 121.95 1x5p s LEU 90 Ca 0.18 -0.47 -0.01 0.00 -1.03 0.00 0.00 54.13 52.80 1x5p s LEU 90 Cb -0.17 -1.52 0.23 0.00 0.03 0.00 0.00 46.19 44.76 1x5p s LEU 90 CO 0.02 0.13 0.85 0.47 0.23 0.00 0.00 176.35 178.04 1x5p n ASP 91 N 3.76 4.37 -4.57 2.29 8.00 -1.26 -5.04 116.55 124.11 1x5p n ASP 91 Ca -0.19 -3.20 -0.34 0.00 0.71 0.00 0.00 54.79 51.77 1x5p n ASP 91 Cb 0.52 -1.03 -0.11 0.00 -0.02 0.00 0.00 41.12 40.48 1x5p n ASP 91 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1x5p s SER 92 N -0.61 4.79 -0.01 -2.24 1.04 -1.26 -4.88 113.70 110.53 1x5p s SER 92 Ca 0.29 -0.04 -0.00 0.00 0.48 0.00 0.00 55.95 56.69 1x5p s SER 92 Cb -0.03 -1.45 0.00 0.00 0.10 0.00 0.00 66.02 64.64 1x5p s SER 92 CO -0.09 0.29 0.00 0.61 0.98 0.00 0.00 173.24 175.03 1x5p n GLY 93 N 2.70 -2.92 0.00 7.32 0.00 -1.26 -4.89 105.19 106.13 1x5p n GLY 93 Ca -0.18 -0.27 0.07 0.00 0.00 0.00 0.00 46.02 45.65 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 0.03 0.19 -1.48 1.61 -0.04 -1.26 -4.85 135.00 129.20 1x5p n PRO 94 Ca -0.01 0.15 -0.44 0.00 -0.04 0.00 0.00 63.50 63.17 1x5p n PRO 94 Cb 0.01 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 31.96 1x5p n PRO 94 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x5p n SER 95 N -1.30 -0.31 -4.38 3.54 2.88 -1.26 -4.83 113.62 107.96 1x5p n SER 95 Ca 0.07 1.03 -0.38 0.00 -1.33 0.00 0.00 58.87 58.26 1x5p n SER 95 Cb 0.12 -1.14 0.04 0.00 -0.75 0.00 0.00 64.21 62.48 1x5p n SER 95 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1x5p n SER 96 N 1.39 -2.08 -0.48 -3.46 7.64 -1.26 -5.19 113.62 110.17 1x5p n SER 96 Ca 0.12 0.65 0.06 0.00 1.01 0.00 0.00 58.87 60.71 1x5p n SER 96 Cb 0.35 -1.07 0.05 0.00 -1.01 0.00 0.00 64.21 62.53 1x5p n SER 96 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64