#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 5.00 0.05 1.61 1.04 -1.26 -5.08 113.70 115.06 1x5p s SER 2 Ca 0.00 -0.44 -0.12 0.00 0.48 0.00 0.00 55.95 55.87 1x5p s SER 2 Cb 0.00 -1.88 0.01 0.00 0.10 0.00 0.00 66.02 64.26 1x5p s SER 2 CO 0.00 -0.10 0.26 -0.44 0.98 0.00 0.00 173.24 173.94 1x5p s SER 3 N 1.55 -0.06 -0.33 7.02 0.01 -1.26 -5.14 113.70 115.50 1x5p s SER 3 Ca 0.05 -0.29 0.02 0.00 1.31 0.00 0.00 55.95 57.04 1x5p s SER 3 Cb -0.16 0.34 0.10 0.00 0.21 0.00 0.00 66.02 66.51 1x5p s SER 3 CO 0.02 -0.62 0.06 -0.83 0.41 0.00 0.00 173.24 172.29 1x5p s GLY 4 N -2.17 1.65 -1.53 3.44 0.00 -1.26 -4.79 107.32 102.66 1x5p s GLY 4 Ca -0.04 -2.25 -0.13 0.00 0.00 0.00 0.00 44.72 42.31 1x5p s GLY 4 CO -0.05 1.15 0.93 1.44 0.00 0.00 0.00 173.10 176.57 1x5p n SER 5 N 4.45 -4.23 -3.68 1.64 7.64 -1.26 -4.96 113.62 113.21 1x5p n SER 5 Ca 0.02 -0.82 -0.09 0.00 1.01 0.00 0.00 58.87 58.99 1x5p n SER 5 Cb 0.42 -3.75 -0.10 0.00 -1.01 0.00 0.00 64.21 59.78 1x5p n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1x5p s SER 6 N -3.42 -0.56 0.00 6.43 1.04 -1.26 -5.16 113.70 110.76 1x5p s SER 6 Ca 0.60 1.02 0.00 0.00 0.48 0.00 0.00 55.95 58.05 1x5p s SER 6 Cb -0.31 0.97 0.00 0.00 0.10 0.00 0.00 66.02 66.79 1x5p s SER 6 CO 0.84 -0.21 0.00 0.61 0.98 0.00 0.00 173.24 175.47 1x5p n GLY 7 N 4.44 0.83 3.68 7.32 0.00 -1.26 -4.85 105.19 115.35 1x5p n GLY 7 Ca -0.21 -1.00 -0.28 0.00 0.00 0.00 0.00 46.02 44.53 1x5p n GLY 7 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x5p s GLU 8 N -2.00 2.07 -0.34 1.61 0.41 -1.26 -5.11 118.70 114.07 1x5p s GLU 8 Ca 0.00 -2.07 -0.14 0.00 -0.41 0.00 0.00 54.97 52.35 1x5p s GLU 8 Cb 0.00 -1.73 -0.01 0.00 -1.78 0.00 0.00 34.13 30.60 1x5p s GLU 8 CO 0.00 -0.12 0.30 1.03 -0.49 0.00 0.00 175.26 175.97 1x5p s ARG 9 N -3.80 3.52 0.02 1.61 0.52 -1.26 -5.03 118.95 114.53 1x5p s ARG 9 Ca 0.33 -0.55 -0.39 0.00 -0.52 0.00 0.00 55.73 54.60 1x5p s ARG 9 Cb 0.07 -3.81 -0.19 0.00 0.52 0.00 0.00 34.95 31.54 1x5p s ARG 9 CO 0.18 -0.49 1.11 0.54 0.02 0.00 0.00 175.30 176.66 1x5p n ARG 10 N 5.23 0.20 -4.01 3.54 1.74 -1.26 -4.96 116.66 117.14 1x5p n ARG 10 Ca -0.11 0.07 -0.11 0.00 -0.77 0.00 0.00 57.85 56.93 1x5p n ARG 10 Cb 0.49 -1.59 -0.12 0.00 -1.02 0.00 0.00 32.46 30.23 1x5p n ARG 10 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1x5p s ALA 11 N 0.07 0.28 -0.10 7.54 0.00 -1.26 -5.12 121.76 123.17 1x5p s ALA 11 Ca 0.90 -0.58 -0.29 0.00 0.00 0.00 0.00 51.96 51.98 1x5p s ALA 11 Cb -1.21 0.09 -0.04 0.00 0.00 0.00 0.00 23.12 21.95 1x5p s ALA 11 CO 0.55 -0.08 1.53 -1.25 0.00 0.00 0.00 175.76 176.50 1x5p s PRO 12 N -1.31 4.17 0.04 0.00 0.04 -1.26 -5.00 135.00 131.70 1x5p s PRO 12 Ca -0.12 1.99 -0.11 0.00 0.04 0.00 0.00 61.00 62.81 1x5p s PRO 12 Cb -0.09 -3.92 0.01 0.00 0.04 0.00 0.00 34.50 30.54 1x5p s PRO 12 CO -0.00 -0.83 0.22 -0.98 0.04 0.00 0.00 177.00 175.45 1x5p s ARG 13 N 3.90 0.74 -0.06 4.56 3.03 -1.26 -5.15 118.95 124.70 1x5p s ARG 13 Ca 0.67 -0.62 -0.18 0.00 2.03 0.00 0.00 55.73 57.64 1x5p s ARG 13 Cb -0.29 0.31 -0.05 0.00 -1.03 0.00 0.00 34.95 33.89 1x5p s ARG 13 CO 0.25 -0.22 0.48 0.15 -1.13 0.00 0.00 175.30 174.82 1x5p s LYS 14 N -2.65 4.23 -0.12 3.89 1.02 -1.26 -5.07 119.74 119.77 1x5p s LYS 14 Ca -0.04 0.49 -0.07 0.00 0.02 0.00 0.00 55.97 56.36 1x5p s LYS 14 Cb -0.01 -3.36 0.04 0.00 -0.52 0.00 0.00 37.83 33.99 1x5p s LYS 14 CO -0.04 0.34 0.28 0.20 -0.92 0.00 0.00 175.35 175.22 1x5p s GLY 15 N -0.00 -0.19 -0.07 -3.33 0.00 -1.26 -5.05 107.32 97.42 1x5p s GLY 15 Ca 0.26 1.03 -0.03 0.00 0.00 0.00 0.00 44.72 45.98 1x5p s GLY 15 CO 0.12 1.17 -0.09 1.16 0.00 0.00 0.00 173.10 175.46 1x5p n ASN 16 N 3.86 1.17 -4.83 1.64 6.94 -1.26 -4.12 115.26 118.67 1x5p n ASN 16 Ca -0.21 0.06 -0.34 0.00 -0.02 0.00 0.00 54.58 54.07 1x5p n ASN 16 Cb 0.55 -0.20 -0.06 0.00 -2.36 0.00 0.00 39.78 37.71 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 -2.14 4.59 -0.03 5.53 2.01 -1.26 -0.97 115.64 123.37 1x5p s THR 17 Ca -0.10 1.16 0.04 0.00 0.31 0.00 0.00 61.69 63.10 1x5p s THR 17 Cb 0.04 -3.74 -0.00 0.00 0.01 0.00 0.00 72.50 68.80 1x5p s THR 17 CO 0.14 -0.00 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.15 1x5p s LEU 18 N -2.50 1.93 -0.42 4.42 1.43 -0.16 -3.98 118.68 119.40 1x5p s LEU 18 Ca 0.49 -0.30 -0.20 0.00 -1.03 0.00 0.00 54.13 53.09 1x5p s LEU 18 Cb -0.13 -0.85 0.02 0.00 0.03 0.00 0.00 46.19 45.26 1x5p s LEU 18 CO 0.19 0.15 0.63 -0.47 0.23 0.00 0.00 176.35 177.08 1x5p s TYR 19 N -0.06 3.09 0.08 0.29 6.14 0.10 -1.60 117.35 125.38 1x5p s TYR 19 Ca -0.01 -0.00 0.03 0.00 0.64 0.00 0.00 57.07 57.73 1x5p s TYR 19 Cb -0.09 -3.28 -0.04 0.00 0.42 0.00 0.00 41.96 38.97 1x5p s TYR 19 CO 0.01 -0.81 0.06 0.08 0.64 0.00 0.00 175.55 175.53 1x5p s VAL 20 N 2.76 4.44 -0.05 3.14 1.01 0.20 -0.22 120.40 131.68 1x5p s VAL 20 Ca 0.22 -0.79 -0.02 0.00 0.00 0.00 0.00 61.98 61.40 1x5p s VAL 20 Cb -0.14 -3.13 0.03 0.00 0.00 0.00 0.00 36.38 33.14 1x5p s VAL 20 CO 0.18 0.14 0.04 -0.47 0.00 0.00 0.00 175.10 174.99 1x5p s TYR 21 N -1.36 0.21 0.17 5.22 6.14 0.12 -0.93 117.35 126.92 1x5p s TYR 21 Ca 0.28 0.15 0.03 0.00 0.64 0.00 0.00 57.07 58.17 1x5p s TYR 21 Cb -0.12 -0.55 -0.01 0.00 0.42 0.00 0.00 41.96 41.70 1x5p s TYR 21 CO 0.21 -0.22 0.10 0.41 0.64 0.00 0.00 175.55 176.69 1x5p n GLY 22 N 5.21 3.60 1.46 8.97 0.00 -1.13 -1.40 105.19 121.90 1x5p n GLY 22 Ca -0.05 -1.88 0.00 0.00 0.00 0.00 0.00 46.02 44.09 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 -0.36 0.00 -1.97 1.61 1.02 -1.26 -4.62 120.64 115.07 1x5p n GLU 23 Ca 0.01 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.82 1x5p n GLU 23 Cb 0.28 -0.28 0.03 0.00 -0.02 0.00 0.00 31.44 31.46 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 -3.49 6.36 -4.48 1.62 8.00 -1.26 -5.00 116.55 118.30 1x5p n ASP 24 Ca 0.00 -3.78 -0.27 0.00 0.71 0.00 0.00 54.79 51.45 1x5p n ASP 24 Cb 0.00 -0.76 -0.11 0.00 -0.02 0.00 0.00 41.12 40.23 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 -3.80 1.73 0.20 -1.24 0.23 -1.26 -4.95 119.30 110.21 1x5p s MET 25 Ca 0.53 -1.43 0.09 0.00 -1.03 0.00 0.00 55.69 53.85 1x5p s MET 25 Cb 0.44 -1.97 -0.04 0.00 -1.53 0.00 0.00 34.83 31.73 1x5p s MET 25 CO -0.19 0.41 -0.18 0.95 -2.03 0.00 0.00 175.02 173.98 1x5p s THR 26 N -1.70 1.95 0.07 3.16 -4.23 -1.26 -5.05 115.64 108.57 1x5p s THR 26 Ca 0.22 -2.09 -0.19 0.00 -1.18 0.00 0.00 61.69 58.46 1x5p s THR 26 Cb -0.08 -2.00 -0.07 0.00 1.34 0.00 0.00 72.50 71.69 1x5p s THR 26 CO 0.12 -0.39 1.30 -0.65 -0.54 0.00 0.00 174.62 174.46 1x5p h PRO 27 N 2.88 -0.29 -1.28 3.99 0.11 -1.98 -0.17 132.00 135.26 1x5p h PRO 27 Ca -0.41 0.02 0.37 0.00 0.11 0.00 0.00 66.00 66.09 1x5p h PRO 27 Cb 1.22 0.07 -0.08 0.00 0.11 0.00 0.00 31.00 32.32 1x5p h PRO 27 CO 0.55 -0.19 0.88 1.15 -0.21 0.00 0.00 178.00 180.18 1x5p h THR 28 N -0.30 0.33 -0.09 -1.15 2.02 -2.00 0.27 112.91 111.99 1x5p h THR 28 Ca 0.02 -0.04 -0.01 0.00 0.77 0.00 0.00 66.41 67.15 1x5p h THR 28 Cb 0.37 0.20 -0.00 0.00 -1.74 0.00 0.00 68.15 66.97 1x5p h THR 28 CO -0.26 0.02 0.01 0.25 0.37 0.00 0.00 175.52 175.91 1x5p h LEU 29 N 0.12 0.15 -1.60 2.58 6.46 -1.46 -2.90 115.31 118.67 1x5p h LEU 29 Ca 0.67 -0.28 -0.03 0.00 -0.12 0.00 0.00 57.88 58.12 1x5p h LEU 29 Cb 2.34 -0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 42.22 1x5p h LEU 29 CO -0.17 0.40 -0.06 -0.07 -0.62 0.00 0.00 178.44 177.92 1x5p h LEU 30 N -0.09 0.16 -0.71 2.25 3.38 0.15 -2.10 115.31 118.35 1x5p h LEU 30 Ca 0.03 -0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.05 1x5p h LEU 30 Cb 0.31 -0.04 -0.06 0.00 0.09 0.00 0.00 40.66 40.96 1x5p h LEU 30 CO 0.00 0.26 0.38 0.03 0.09 0.00 0.00 178.44 179.20 1x5p h ARG 31 N 0.17 0.65 -0.01 1.13 3.08 -1.10 0.28 114.38 118.59 1x5p h ARG 31 Ca 0.04 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1x5p h ARG 31 Cb 0.23 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.13 1x5p h ARG 31 CO 0.01 0.43 -0.17 0.41 -1.07 0.00 0.00 179.97 179.57 1x5p n GLY 32 N -1.30 -0.40 0.12 0.04 0.00 -0.97 -2.42 105.19 100.26 1x5p n GLY 32 Ca 0.10 -0.42 -0.17 0.00 0.00 0.00 0.00 46.02 45.54 1x5p n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x5p n ALA 33 N -0.36 1.28 0.25 4.61 0.00 -0.36 -4.38 120.51 121.55 1x5p n ALA 33 Ca 0.14 -0.93 0.11 0.00 0.00 0.00 0.00 53.44 52.76 1x5p n ALA 33 Cb 0.35 -0.40 -0.04 0.00 0.00 0.00 0.00 19.45 19.36 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 -3.22 0.44 -0.14 0.00 3.01 0.86 -4.25 117.46 114.15 1x5p n PHE 34 Ca -0.36 0.13 -0.07 0.00 1.01 0.00 0.00 57.45 58.17 1x5p n PHE 34 Cb 1.04 -0.63 0.02 0.00 -0.01 0.00 0.00 39.48 39.90 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 0.41 -1.04 4.37 0.87 -1.61 -2.42 113.55 114.12 1x5p h SER 35 Ca 0.00 0.00 0.27 0.00 -1.23 0.00 0.00 61.79 60.84 1x5p h SER 35 Cb 0.90 -0.08 -0.11 0.00 -0.44 0.00 0.00 62.40 62.66 1x5p h SER 35 CO 0.00 0.30 0.65 -0.65 -0.53 0.00 0.00 176.83 176.59 1x5p h PRO 36 N 0.52 0.43 -0.05 2.24 0.11 -1.77 0.14 132.00 133.62 1x5p h PRO 36 Ca 0.17 -0.03 -0.23 0.00 0.11 0.00 0.00 66.00 66.03 1x5p h PRO 36 Cb 0.01 -0.10 0.01 0.00 0.11 0.00 0.00 31.00 31.04 1x5p h PRO 36 CO -0.08 0.28 -0.89 0.74 -0.21 0.00 0.00 178.00 177.84 1x5p h PHE 37 N 0.44 0.83 -0.34 0.65 -1.00 -1.69 -3.49 116.94 112.33 1x5p h PHE 37 Ca 0.64 -0.41 0.00 0.00 2.81 0.00 0.00 57.97 61.01 1x5p h PHE 37 Cb 1.49 -0.11 0.00 0.00 3.61 0.00 0.00 35.95 40.94 1x5p h PHE 37 CO -0.00 1.23 0.00 0.41 -1.61 0.00 0.00 178.31 178.33 1x5p n GLY 38 N 0.85 0.99 3.74 -1.45 0.00 0.51 -4.85 105.19 104.97 1x5p n GLY 38 Ca -0.08 -0.66 -0.37 0.00 0.00 0.00 0.00 46.02 44.91 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 1.44 6.62 -0.35 1.61 2.47 -1.26 -4.02 114.94 121.45 1x5p s ASN 39 Ca 0.00 0.73 -0.19 0.00 0.42 0.00 0.00 52.86 53.82 1x5p s ASN 39 Cb 0.00 -2.25 -0.00 0.00 -1.45 0.00 0.00 41.25 37.55 1x5p s ASN 39 CO 0.00 0.08 0.54 -0.63 -3.72 0.00 0.00 177.10 173.37 1x5p s ILE 40 N 0.33 4.99 -0.11 -5.21 1.01 -1.26 -2.07 121.20 118.88 1x5p s ILE 40 Ca 0.22 0.43 0.22 0.00 0.00 0.00 0.00 60.65 61.52 1x5p s ILE 40 Cb -0.15 -3.98 -0.31 0.00 0.01 0.00 0.00 42.46 38.03 1x5p s ILE 40 CO 0.08 -0.22 0.54 2.30 0.00 0.00 0.00 174.94 177.64 1x5p n ILE 41 N 5.45 0.03 -3.45 2.92 -5.35 -1.04 -4.86 119.36 113.06 1x5p n ILE 41 Ca -0.04 -0.47 -0.16 0.00 -0.27 0.00 0.00 62.75 61.82 1x5p n ILE 41 Cb 0.49 0.05 -0.11 0.00 -1.74 0.00 0.00 39.64 38.32 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 -4.46 1.06 -0.24 7.28 2.15 -1.26 -5.00 116.67 116.20 1x5p s ASP 42 Ca -0.06 -0.11 -0.02 0.00 0.43 0.00 0.00 52.55 52.79 1x5p s ASP 42 Cb 0.14 0.60 0.08 0.00 -0.30 0.00 0.00 42.92 43.43 1x5p s ASP 42 CO 0.90 -0.32 0.05 -0.22 -0.17 0.00 0.00 175.17 175.41 1x5p s LEU 43 N 2.39 1.76 0.02 -1.34 2.96 -1.23 -0.32 118.68 122.91 1x5p s LEU 43 Ca 0.09 -1.18 0.07 0.00 -0.22 0.00 0.00 54.13 52.89 1x5p s LEU 43 Cb -0.16 -0.77 -0.03 0.00 0.50 0.00 0.00 46.19 45.73 1x5p s LEU 43 CO -0.14 -0.34 -0.21 -0.55 -1.32 0.00 0.00 176.35 173.80 1x5p s SER 44 N 1.71 3.58 -0.09 3.68 0.15 -1.01 -4.95 113.70 116.77 1x5p s SER 44 Ca 0.02 -0.45 0.02 0.00 0.70 0.00 0.00 55.95 56.25 1x5p s SER 44 Cb -0.17 -0.53 0.01 0.00 -1.71 0.00 0.00 66.02 63.62 1x5p s SER 44 CO -0.15 0.27 -0.14 -0.04 1.20 0.00 0.00 173.24 174.39 1x5p s MET 45 N -1.21 1.98 -0.42 5.44 -1.94 -1.26 -0.93 119.30 120.96 1x5p s MET 45 Ca 0.13 -0.49 0.04 0.00 -1.71 0.00 0.00 55.69 53.66 1x5p s MET 45 Cb -0.10 -1.67 0.11 0.00 2.01 0.00 0.00 34.83 35.18 1x5p s MET 45 CO 0.03 -0.02 0.14 -0.51 -0.01 0.00 0.00 175.02 174.65 1x5p s ASP 46 N 0.85 4.53 0.28 3.03 1.01 -0.21 -4.98 116.67 121.19 1x5p s ASP 46 Ca -0.10 -2.52 0.02 0.00 0.71 0.00 0.00 52.55 50.66 1x5p s ASP 46 Cb -0.15 -1.60 0.69 0.00 1.01 0.00 0.00 42.92 42.86 1x5p s ASP 46 CO 0.01 -0.32 1.69 -0.65 0.21 0.00 0.00 175.17 176.12 1x5p h PRO 47 N 7.13 0.35 -0.18 8.23 0.11 -1.96 0.64 132.00 146.33 1x5p h PRO 47 Ca -0.06 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 66.06 1x5p h PRO 47 Cb 0.96 -0.08 -0.06 0.00 0.11 0.00 0.00 31.00 31.93 1x5p h PRO 47 CO 0.59 0.23 -0.51 -1.35 -0.21 0.00 0.00 178.00 176.76 1x5p h PRO 48 N 0.36 -0.49 -0.10 1.05 0.11 -1.95 -0.07 132.00 130.93 1x5p h PRO 48 Ca 0.54 0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.68 1x5p h PRO 48 Cb 1.01 0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1x5p h PRO 48 CO -0.54 -0.32 0.00 0.54 -0.21 0.00 0.00 178.00 177.47 1x5p n ARG 49 N -5.20 1.40 -4.02 1.05 5.12 -0.95 -4.92 116.66 109.13 1x5p n ARG 49 Ca -0.05 -0.61 -0.32 0.00 -1.93 0.00 0.00 57.85 54.94 1x5p n ARG 49 Cb 0.34 -1.33 -0.02 0.00 -1.16 0.00 0.00 32.46 30.29 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 -0.16 -1.64 -3.48 0.55 3.02 0.18 -4.94 115.26 108.79 1x5p n ASN 50 Ca 0.14 -1.14 -0.13 0.00 -0.03 0.00 0.00 54.58 53.42 1x5p n ASN 50 Cb 0.21 -2.47 -0.05 0.00 -0.61 0.00 0.00 39.78 36.86 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 -3.33 -0.67 -0.28 0.00 0.00 -0.11 -1.04 121.76 116.33 1x5p s ALA 52 Ca 0.29 -0.45 0.00 0.00 0.00 0.00 0.00 51.96 51.81 1x5p s ALA 52 Cb 0.00 0.88 0.09 0.00 0.00 0.00 0.00 23.12 24.09 1x5p s ALA 52 CO 0.17 -0.79 0.04 -0.06 0.00 0.00 0.00 175.76 175.12 1x5p s PHE 53 N -3.91 2.18 -0.33 0.00 0.08 -0.11 -0.63 117.98 115.26 1x5p s PHE 53 Ca 0.13 -1.87 -0.11 0.00 0.12 0.00 0.00 56.93 55.19 1x5p s PHE 53 Cb -0.00 -1.83 -0.01 0.00 -0.57 0.00 0.00 43.02 40.62 1x5p s PHE 53 CO -0.00 -0.83 0.19 0.08 -0.10 0.00 0.00 175.22 174.56 1x5p s VAL 54 N 1.46 4.85 -0.04 -0.44 1.01 -0.63 -2.42 120.40 124.20 1x5p s VAL 54 Ca 0.05 -0.41 -0.03 0.00 0.00 0.00 0.00 61.98 61.59 1x5p s VAL 54 Cb -0.18 -3.51 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 1x5p s VAL 54 CO -0.15 -0.00 0.14 -0.89 0.00 0.00 0.00 175.10 174.19 1x5p s THR 55 N 1.65 5.25 0.00 3.92 2.01 0.56 -0.98 115.64 128.04 1x5p s THR 55 Ca 0.05 -0.13 0.03 0.00 0.31 0.00 0.00 61.69 61.95 1x5p s THR 55 Cb -0.17 -3.39 -0.03 0.00 0.01 0.00 0.00 72.50 68.91 1x5p s THR 55 CO 0.08 0.42 -0.06 -0.31 -0.69 0.00 0.00 174.62 174.06 1x5p s TYR 56 N -1.20 2.91 0.35 4.92 2.02 -0.15 -2.49 117.35 123.71 1x5p s TYR 56 Ca 0.23 -0.02 0.35 0.00 -0.37 0.00 0.00 57.07 57.26 1x5p s TYR 56 Cb -0.12 -1.62 1.93 0.00 -0.40 0.00 0.00 41.96 41.75 1x5p s TYR 56 CO 0.13 0.38 2.09 1.49 -1.57 0.00 0.00 175.55 178.07 1x5p h GLU 57 N 4.53 0.00 -4.79 -0.62 4.81 -1.75 -3.42 114.58 113.33 1x5p h GLU 57 Ca -0.48 0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 58.47 1x5p h GLU 57 Cb 1.17 0.00 -0.17 0.00 0.63 0.00 0.00 28.75 30.38 1x5p h GLU 57 CO 0.54 0.00 -0.72 0.15 -0.73 0.00 0.00 179.01 178.25 1x5p s LYS 58 N -3.92 0.80 0.02 1.92 1.02 -1.26 -5.06 119.74 113.26 1x5p s LYS 58 Ca -0.04 -1.17 -0.21 0.00 0.02 0.00 0.00 55.97 54.57 1x5p s LYS 58 Cb 0.10 -0.38 -0.17 0.00 -0.52 0.00 0.00 37.83 36.87 1x5p s LYS 58 CO 0.32 0.04 1.27 0.00 -0.92 0.00 0.00 175.35 176.07 1x5p h MET 59 N 3.46 0.32 -0.90 1.68 -0.00 -1.82 -3.22 114.93 114.46 1x5p h MET 59 Ca -0.36 -0.20 0.29 0.00 -0.00 0.00 0.00 59.70 59.42 1x5p h MET 59 Cb 1.18 0.02 -0.17 0.00 -0.00 0.00 0.00 31.60 32.64 1x5p h MET 59 CO 0.56 0.79 0.17 -0.85 -0.00 0.00 0.00 176.91 177.58 1x5p n GLU 60 N -4.53 -0.07 0.07 -0.10 0.28 -1.26 0.66 120.64 115.70 1x5p n GLU 60 Ca -0.07 1.31 -0.13 0.00 -0.16 0.00 0.00 57.16 58.11 1x5p n GLU 60 Cb 0.41 -2.17 -0.08 0.00 1.43 0.00 0.00 31.44 31.03 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 -0.12 -0.97 -1.84 0.02 -1.88 -1.83 113.55 106.93 1x5p h SER 61 Ca 0.61 -0.15 0.09 0.00 -0.84 0.00 0.00 61.79 61.51 1x5p h SER 61 Cb 1.41 0.03 -0.12 0.00 0.14 0.00 0.00 62.40 63.86 1x5p h SER 61 CO -0.80 0.08 -0.55 0.00 -1.14 0.00 0.00 176.83 174.42 1x5p n ALA 62 N -2.24 -0.57 -0.14 3.77 0.00 0.21 -0.10 120.51 121.44 1x5p n ALA 62 Ca -0.08 0.84 -0.09 0.00 0.00 0.00 0.00 53.44 54.11 1x5p n ALA 62 Cb 0.15 -0.16 -0.00 0.00 0.00 0.00 0.00 19.45 19.43 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 0.10 0.00 3.58 -1.50 -2.51 116.42 116.62 1x5p h ASP 63 Ca 0.17 -0.14 0.00 0.00 0.42 0.00 0.00 57.03 57.49 1x5p h ASP 63 Cb 0.41 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 41.30 1x5p h ASP 63 CO -0.92 0.53 -0.29 1.56 -2.88 0.00 0.00 179.24 177.25 1x5p h GLN 64 N 0.52 -0.41 -0.29 0.28 4.20 0.19 -0.30 115.11 119.30 1x5p h GLN 64 Ca 0.14 0.03 0.04 0.00 0.06 0.00 0.00 58.65 58.92 1x5p h GLN 64 Cb 0.14 0.09 -0.08 0.00 0.30 0.00 0.00 27.48 27.94 1x5p h GLN 64 CO -0.02 -0.28 -0.53 0.00 -0.67 0.00 0.00 178.83 177.34 1x5p h ALA 65 N -1.05 -0.78 0.00 3.87 0.00 -0.52 0.64 119.26 121.42 1x5p h ALA 65 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1x5p h ALA 65 Cb 0.42 1.04 0.00 0.00 0.00 0.00 0.00 17.79 19.25 1x5p h ALA 65 CO -0.14 -1.04 0.31 0.28 0.00 0.00 0.00 179.25 178.65 1x5p h VAL 66 N -0.47 0.00 0.10 0.00 2.07 -1.29 1.40 116.25 118.06 1x5p h VAL 66 Ca 0.07 0.00 -0.34 0.00 0.82 0.00 0.00 66.70 67.25 1x5p h VAL 66 Cb 0.63 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 1x5p h VAL 66 CO -0.52 0.00 -1.85 0.00 0.02 0.00 0.00 177.57 175.22 1x5p h ALA 67 N 1.32 0.48 0.00 1.67 0.00 0.20 -3.30 119.26 119.63 1x5p h ALA 67 Ca 0.00 -1.36 -0.05 0.00 0.00 0.00 0.00 54.91 53.51 1x5p h ALA 67 Cb 0.61 0.58 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1x5p h ALA 67 CO 0.00 1.34 -1.05 0.39 0.00 0.00 0.00 179.25 179.93 1x5p n GLU 68 N -3.38 0.52 -0.28 0.00 1.02 0.61 -4.48 120.64 114.65 1x5p n GLU 68 Ca -0.26 0.28 0.17 0.00 -0.02 0.00 0.00 57.16 57.33 1x5p n GLU 68 Cb 1.05 -1.49 0.44 0.00 -0.02 0.00 0.00 31.44 31.42 1x5p n GLU 68 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1x5p h LEU 69 N -1.00 0.55 -7.33 -4.62 3.38 0.15 -3.39 115.31 103.05 1x5p h LEU 69 Ca -0.07 0.06 -0.71 0.00 0.09 0.00 0.00 57.88 57.25 1x5p h LEU 69 Cb 0.97 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 1x5p h LEU 69 CO -0.04 0.22 0.88 -3.20 0.09 0.00 0.00 178.44 176.38 1x5p n ASN 70 N -4.59 0.84 -4.00 -0.43 2.85 -1.15 0.17 115.26 108.95 1x5p n ASN 70 Ca 0.21 0.80 -0.32 0.00 -0.11 0.00 0.00 54.58 55.16 1x5p n ASN 70 Cb 0.64 -0.77 0.01 0.00 1.24 0.00 0.00 39.78 40.90 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 5.02 -0.48 3.91 8.20 0.00 -0.26 -4.91 105.19 116.67 1x5p n GLY 71 Ca 0.38 0.17 -0.27 0.00 0.00 0.00 0.00 46.02 46.30 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 -3.28 4.98 -0.50 2.61 -1.32 0.45 -4.82 115.64 113.76 1x5p s THR 72 Ca 0.69 0.03 -0.02 0.00 -1.21 0.00 0.00 61.69 61.19 1x5p s THR 72 Cb -0.36 -3.81 0.13 0.00 -1.51 0.00 0.00 72.50 66.95 1x5p s THR 72 CO 0.85 -0.59 0.29 -1.58 -2.21 0.00 0.00 174.62 171.37 1x5p s GLN 73 N -4.21 2.17 -0.04 7.08 0.74 -1.26 -0.16 119.66 123.98 1x5p s GLN 73 Ca 0.45 -2.18 0.06 0.00 0.05 0.00 0.00 55.36 53.74 1x5p s GLN 73 Cb -0.10 -3.58 -0.02 0.00 1.10 0.00 0.00 33.01 30.40 1x5p s GLN 73 CO 0.37 -1.10 -0.20 0.14 -0.55 0.00 0.00 175.29 173.95 1x5p s VAL 74 N 0.52 2.57 -1.28 1.34 -7.23 -0.34 -4.62 120.40 111.37 1x5p s VAL 74 Ca 0.13 -0.91 0.00 0.00 -1.81 0.00 0.00 61.98 59.39 1x5p s VAL 74 Cb -0.22 -1.96 0.00 0.00 0.56 0.00 0.00 36.38 34.76 1x5p s VAL 74 CO -0.04 0.58 0.00 -0.62 -0.31 0.00 0.00 175.10 174.72 1x5p n GLU 75 N 2.43 -2.06 -2.36 4.82 1.02 -1.26 -0.11 120.64 123.13 1x5p n GLU 75 Ca -0.17 0.72 -0.12 0.00 -0.02 0.00 0.00 57.16 57.58 1x5p n GLU 75 Cb 0.52 -5.34 0.00 0.00 -0.02 0.00 0.00 31.44 26.60 1x5p n GLU 75 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1x5p n SER 76 N -1.86 -3.78 -3.79 1.62 3.41 -1.26 -5.02 113.62 102.94 1x5p n SER 76 Ca -0.18 -0.06 -0.17 0.00 -0.26 0.00 0.00 58.87 58.21 1x5p n SER 76 Cb 0.63 -2.91 -0.16 0.00 -0.26 0.00 0.00 64.21 61.51 1x5p n SER 76 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1x5p s VAL 77 N -2.66 0.11 -0.49 -3.33 1.01 0.85 -5.05 120.40 110.84 1x5p s VAL 77 Ca 0.05 0.15 -0.28 0.00 0.00 0.00 0.00 61.98 61.90 1x5p s VAL 77 Cb -0.02 -0.24 0.03 0.00 0.00 0.00 0.00 36.38 36.15 1x5p s VAL 77 CO 0.06 0.14 1.09 -1.10 0.00 0.00 0.00 175.10 175.29 1x5p s GLN 78 N 1.19 3.64 -0.10 2.72 -0.21 -1.26 -1.20 119.66 124.45 1x5p s GLN 78 Ca -0.07 0.40 -0.09 0.00 0.02 0.00 0.00 55.36 55.61 1x5p s GLN 78 Cb -0.13 -3.93 -0.04 0.00 1.00 0.00 0.00 33.01 29.90 1x5p s GLN 78 CO -0.02 -1.38 0.21 -0.51 -2.12 0.00 0.00 175.29 171.46 1x5p s LEU 79 N 4.33 4.40 -0.31 2.90 1.43 0.77 -4.65 118.68 127.56 1x5p s LEU 79 Ca 0.44 0.57 0.03 0.00 -1.03 0.00 0.00 54.13 54.15 1x5p s LEU 79 Cb -0.08 -2.20 0.08 0.00 0.03 0.00 0.00 46.19 44.02 1x5p s LEU 79 CO 0.29 0.37 -0.01 -0.54 0.23 0.00 0.00 176.35 176.69 1x5p s LYS 80 N -0.93 1.88 -0.00 1.70 1.02 -0.50 -1.10 119.74 121.81 1x5p s LYS 80 Ca 0.17 -1.62 -0.00 0.00 0.02 0.00 0.00 55.97 54.53 1x5p s LYS 80 Cb -0.13 -3.09 -0.04 0.00 -0.52 0.00 0.00 37.83 34.05 1x5p s LYS 80 CO 0.06 -0.77 0.09 0.08 -0.92 0.00 0.00 175.35 173.89 1x5p s VAL 81 N 1.01 4.77 0.00 3.17 1.01 -1.26 0.10 120.40 129.21 1x5p s VAL 81 Ca 0.01 -0.41 -0.19 0.00 0.00 0.00 0.00 61.98 61.40 1x5p s VAL 81 Cb -0.20 -3.19 0.04 0.00 0.00 0.00 0.00 36.38 33.03 1x5p s VAL 81 CO -0.06 0.34 0.41 0.21 0.00 0.00 0.00 175.10 175.99 1x5p s ASN 82 N -1.78 -0.30 -0.75 3.32 2.47 0.69 -4.51 114.94 114.08 1x5p s ASN 82 Ca 0.23 0.15 -0.26 0.00 0.42 0.00 0.00 52.86 53.41 1x5p s ASN 82 Cb -0.12 0.39 -0.03 0.00 -1.45 0.00 0.00 41.25 40.04 1x5p s ASN 82 CO 0.15 -0.56 1.86 -0.63 -3.72 0.00 0.00 177.10 174.20 1x5p s ILE 83 N -1.76 3.43 -0.70 -5.21 -1.09 -1.26 0.02 121.20 114.62 1x5p s ILE 83 Ca -0.10 -0.07 -0.15 0.00 -2.23 0.00 0.00 60.65 58.10 1x5p s ILE 83 Cb -0.03 -4.04 -0.19 0.00 -1.58 0.00 0.00 42.46 36.62 1x5p s ILE 83 CO 0.03 -1.00 1.73 0.00 -1.23 0.00 0.00 174.94 174.47 1x5p n ALA 84 N 13.02 0.46 -1.35 9.38 0.00 -1.26 -4.81 120.51 135.95 1x5p n ALA 84 Ca 0.29 -0.36 -0.33 0.00 0.00 0.00 0.00 53.44 53.04 1x5p n ALA 84 Cb 0.50 -1.64 0.08 0.00 0.00 0.00 0.00 19.45 18.39 1x5p n ALA 84 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1x5p s ARG 85 N 5.73 2.36 -1.19 0.00 3.03 -1.26 -3.79 118.95 123.83 1x5p s ARG 85 Ca 0.94 1.48 -0.01 0.00 2.03 0.00 0.00 55.73 60.17 1x5p s ARG 85 Cb -0.76 -1.89 -0.01 0.00 -1.03 0.00 0.00 34.95 31.26 1x5p s ARG 85 CO 0.37 -1.61 0.94 1.17 -1.13 0.00 0.00 175.30 175.04 1x5p n LYS 86 N -2.85 -5.51 -2.47 3.89 4.81 -1.26 -4.94 118.16 109.84 1x5p n LYS 86 Ca 0.11 0.81 -0.29 0.00 -0.87 0.00 0.00 58.31 58.08 1x5p n LYS 86 Cb 0.52 -5.72 0.00 0.00 0.02 0.00 0.00 35.03 29.84 1x5p n LYS 86 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1x5p n GLN 87 N -4.00 3.37 0.00 1.64 10.64 -1.25 -4.80 117.38 122.98 1x5p n GLN 87 Ca -0.25 -4.44 0.08 0.00 -1.83 0.00 0.00 57.00 50.55 1x5p n GLN 87 Cb 0.66 -2.25 0.42 0.00 -0.86 0.00 0.00 30.24 28.21 1x5p n GLN 87 CO 0.00 0.00 0.00 -0.35 -1.83 0.00 0.00 177.06 174.88 1x5p n PRO 88 N -0.46 0.36 -1.64 2.61 -0.04 -1.26 -2.54 135.00 132.03 1x5p n PRO 88 Ca 0.40 0.07 -0.11 0.00 -0.04 0.00 0.00 63.50 63.82 1x5p n PRO 88 Cb 0.58 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.62 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 -1.13 2.58 -3.66 0.54 2.81 -1.26 -4.93 117.12 112.07 1x5p n MET 89 Ca 0.10 -3.71 -0.29 0.00 -1.81 0.00 0.00 57.70 51.99 1x5p n MET 89 Cb 0.08 -1.87 -0.13 0.00 -0.71 0.00 0.00 33.22 30.59 1x5p n MET 89 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1x5p s LEU 90 N -3.29 2.16 -0.28 4.03 1.02 -1.05 -5.09 118.68 116.18 1x5p s LEU 90 Ca 0.43 -2.26 -0.22 0.00 0.02 0.00 0.00 54.13 52.11 1x5p s LEU 90 Cb 0.39 -0.84 0.08 0.00 0.02 0.00 0.00 46.19 45.84 1x5p s LEU 90 CO -0.01 -0.32 0.76 1.51 0.02 0.00 0.00 176.35 178.30 1x5p s ASP 91 N 0.86 -0.77 0.00 2.29 1.47 -1.26 -4.65 116.67 114.61 1x5p s ASP 91 Ca 0.16 1.38 0.04 0.00 1.18 0.00 0.00 52.55 55.31 1x5p s ASP 91 Cb -0.22 1.37 -0.01 0.00 -0.34 0.00 0.00 42.92 43.71 1x5p s ASP 91 CO -0.06 -0.23 -0.14 -0.44 0.68 0.00 0.00 175.17 174.98 1x5p s SER 92 N 0.81 1.61 0.00 2.11 0.01 -1.26 -5.09 113.70 111.89 1x5p s SER 92 Ca -0.03 -0.30 0.00 0.00 1.31 0.00 0.00 55.95 56.93 1x5p s SER 92 Cb -0.05 -0.16 0.00 0.00 0.21 0.00 0.00 66.02 66.02 1x5p s SER 92 CO -0.07 0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.32 1x5p n GLY 93 N 2.52 0.67 3.77 3.44 0.00 -1.26 -5.08 105.19 109.25 1x5p n GLY 93 Ca -0.15 -1.97 -0.40 0.00 0.00 0.00 0.00 46.02 43.50 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 -1.07 4.37 0.00 1.61 0.04 -1.26 -5.05 135.00 133.65 1x5p s PRO 94 Ca 0.00 2.02 -0.03 0.00 0.04 0.00 0.00 61.00 63.03 1x5p s PRO 94 Cb 0.00 -3.02 -0.01 0.00 0.04 0.00 0.00 34.50 31.51 1x5p s PRO 94 CO 0.00 -0.10 0.04 0.45 0.04 0.00 0.00 177.00 177.43 1x5p s SER 95 N -0.74 0.11 0.21 6.66 0.15 -1.26 -5.17 113.70 113.66 1x5p s SER 95 Ca 0.49 -0.27 0.08 0.00 0.70 0.00 0.00 55.95 56.95 1x5p s SER 95 Cb -0.36 0.14 -0.04 0.00 -1.71 0.00 0.00 66.02 64.05 1x5p s SER 95 CO 0.46 -0.26 0.01 -0.44 1.20 0.00 0.00 173.24 174.21 1x5p s SER 96 N -1.12 4.76 0.00 5.45 0.01 -1.26 -5.31 113.70 116.23 1x5p s SER 96 Ca -0.12 -0.46 0.00 0.00 1.31 0.00 0.00 55.95 56.68 1x5p s SER 96 Cb -0.07 -0.99 0.00 0.00 0.21 0.00 0.00 66.02 65.16 1x5p s SER 96 CO 0.00 0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.31