#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 5.35 -0.12 1.61 0.01 -1.26 -5.03 113.70 114.26 1x5p s SER 2 Ca 0.00 2.29 -0.04 0.00 1.31 0.00 0.00 55.95 59.52 1x5p s SER 2 Cb 0.00 -2.59 -0.03 0.00 0.21 0.00 0.00 66.02 63.61 1x5p s SER 2 CO 0.00 -1.48 0.01 -0.55 0.41 0.00 0.00 173.24 171.63 1x5p s SER 3 N -1.72 5.28 0.00 2.44 0.15 -1.26 -4.80 113.70 113.79 1x5p s SER 3 Ca 0.75 0.09 0.00 0.00 0.70 0.00 0.00 55.95 57.49 1x5p s SER 3 Cb -0.27 -1.67 0.00 0.00 -1.71 0.00 0.00 66.02 62.36 1x5p s SER 3 CO 0.32 0.29 0.00 0.61 1.20 0.00 0.00 173.24 175.66 1x5p n GLY 4 N 2.73 1.83 3.80 9.45 0.00 -1.26 -4.84 105.19 116.90 1x5p n GLY 4 Ca -0.18 0.15 -0.36 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.95 7.19 0.03 1.61 1.04 -1.26 -5.07 113.70 114.29 1x5p s SER 5 Ca 0.00 1.73 -0.22 0.00 0.48 0.00 0.00 55.95 57.95 1x5p s SER 5 Cb 0.00 -2.54 0.05 0.00 0.10 0.00 0.00 66.02 63.62 1x5p s SER 5 CO 0.00 -0.13 0.49 -0.55 0.98 0.00 0.00 173.24 174.03 1x5p s SER 6 N -1.78 -0.40 -0.24 7.02 0.15 -1.26 -4.74 113.70 112.44 1x5p s SER 6 Ca 0.52 0.17 -0.03 0.00 0.70 0.00 0.00 55.95 57.31 1x5p s SER 6 Cb -0.16 0.47 0.10 0.00 -1.71 0.00 0.00 66.02 64.72 1x5p s SER 6 CO 0.21 -0.68 0.19 -0.83 1.20 0.00 0.00 173.24 173.32 1x5p s GLY 7 N -1.87 0.18 0.08 9.45 0.00 -1.26 -5.14 107.32 108.77 1x5p s GLY 7 Ca -0.06 -0.39 -0.00 0.00 0.00 0.00 0.00 44.72 44.26 1x5p s GLY 7 CO -0.00 2.16 -0.02 -0.54 0.00 0.00 0.00 173.10 174.70 1x5p s GLU 8 N 2.23 0.74 -0.12 2.90 0.41 -1.26 -5.17 118.70 118.44 1x5p s GLU 8 Ca 0.07 -1.30 -0.12 0.00 -0.41 0.00 0.00 54.97 53.21 1x5p s GLU 8 Cb -0.15 0.12 0.03 0.00 -1.78 0.00 0.00 34.13 32.35 1x5p s GLU 8 CO -0.24 -0.13 0.34 -0.98 -0.49 0.00 0.00 175.26 173.77 1x5p s ARG 9 N -3.93 0.43 -0.54 1.61 3.03 -1.26 -5.12 118.95 113.17 1x5p s ARG 9 Ca 0.12 0.40 -0.26 0.00 2.03 0.00 0.00 55.73 58.02 1x5p s ARG 9 Cb 0.07 0.21 0.03 0.00 -1.03 0.00 0.00 34.95 34.23 1x5p s ARG 9 CO -0.06 -0.06 1.06 1.03 -1.13 0.00 0.00 175.30 176.14 1x5p s ARG 10 N 0.01 3.48 0.05 3.89 0.52 -1.26 -4.99 118.95 120.65 1x5p s ARG 10 Ca -0.02 0.10 -0.13 0.00 -0.52 0.00 0.00 55.73 55.16 1x5p s ARG 10 Cb -0.03 -4.00 0.02 0.00 0.52 0.00 0.00 34.95 31.46 1x5p s ARG 10 CO 0.01 -1.51 0.30 0.00 0.02 0.00 0.00 175.30 174.12 1x5p s ALA 11 N 4.37 -0.66 0.31 2.13 0.00 -1.26 -5.15 121.76 121.49 1x5p s ALA 11 Ca 0.38 -0.04 -0.29 0.00 0.00 0.00 0.00 51.96 52.02 1x5p s ALA 11 Cb -0.10 0.35 -0.10 0.00 0.00 0.00 0.00 23.12 23.27 1x5p s ALA 11 CO 0.24 -0.43 1.23 -1.25 0.00 0.00 0.00 175.76 175.55 1x5p s PRO 12 N -2.68 4.47 -0.22 0.00 0.04 -1.26 -5.03 135.00 130.31 1x5p s PRO 12 Ca -0.04 2.05 -0.06 0.00 0.04 0.00 0.00 61.00 63.00 1x5p s PRO 12 Cb -0.00 -3.12 -0.02 0.00 0.04 0.00 0.00 34.50 31.39 1x5p s PRO 12 CO -0.04 -0.04 0.02 -0.98 0.04 0.00 0.00 177.00 176.00 1x5p s ARG 13 N -1.62 3.58 -0.05 4.56 1.70 -1.26 -5.04 118.95 120.82 1x5p s ARG 13 Ca 0.47 -0.52 0.06 0.00 -0.47 0.00 0.00 55.73 55.27 1x5p s ARG 13 Cb -0.37 -3.16 -0.02 0.00 -0.57 0.00 0.00 34.95 30.83 1x5p s ARG 13 CO 0.48 -0.11 -0.22 0.15 -1.08 0.00 0.00 175.30 174.51 1x5p s LYS 14 N 1.35 2.51 -0.26 3.89 1.02 -1.26 -5.11 119.74 121.88 1x5p s LYS 14 Ca 0.05 -0.86 0.01 0.00 0.02 0.00 0.00 55.97 55.19 1x5p s LYS 14 Cb -0.15 -2.21 0.07 0.00 -0.52 0.00 0.00 37.83 35.02 1x5p s LYS 14 CO 0.01 0.45 -0.04 0.20 -0.92 0.00 0.00 175.35 175.06 1x5p s GLY 15 N -0.32 1.39 -0.07 -3.33 0.00 -1.26 -4.91 107.32 98.82 1x5p s GLY 15 Ca 0.01 -1.56 -0.02 0.00 0.00 0.00 0.00 44.72 43.15 1x5p s GLY 15 CO 0.02 0.94 -0.08 1.16 0.00 0.00 0.00 173.10 175.14 1x5p n ASN 16 N 4.61 1.33 -4.86 1.64 6.94 -1.26 -4.23 115.26 119.43 1x5p n ASN 16 Ca -0.10 0.05 -0.31 0.00 -0.02 0.00 0.00 54.58 54.20 1x5p n ASN 16 Cb 0.43 -0.18 -0.05 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 -2.13 4.70 -0.05 5.53 2.01 -1.26 -1.89 115.64 122.55 1x5p s THR 17 Ca -0.10 0.86 0.00 0.00 0.31 0.00 0.00 61.69 62.77 1x5p s THR 17 Cb 0.03 -3.68 0.02 0.00 0.01 0.00 0.00 72.50 68.89 1x5p s THR 17 CO 0.13 -0.40 -0.02 -0.76 -0.69 0.00 0.00 174.62 172.87 1x5p s LEU 18 N -3.52 1.10 -0.52 4.42 1.43 0.62 -3.65 118.68 118.57 1x5p s LEU 18 Ca 0.54 -0.10 -0.27 0.00 -1.03 0.00 0.00 54.13 53.27 1x5p s LEU 18 Cb -0.10 -0.40 0.03 0.00 0.03 0.00 0.00 46.19 45.75 1x5p s LEU 18 CO 0.25 -0.10 1.08 -0.47 0.23 0.00 0.00 176.35 177.34 1x5p s TYR 19 N 1.22 2.76 0.06 0.29 6.14 0.13 -2.04 117.35 125.91 1x5p s TYR 19 Ca -0.07 0.43 0.02 0.00 0.64 0.00 0.00 57.07 58.09 1x5p s TYR 19 Cb -0.14 -4.32 -0.04 0.00 0.42 0.00 0.00 41.96 37.89 1x5p s TYR 19 CO -0.02 -1.36 0.12 0.08 0.64 0.00 0.00 175.55 175.01 1x5p s VAL 20 N 4.41 4.81 0.05 3.14 1.01 0.11 0.03 120.40 133.95 1x5p s VAL 20 Ca 0.41 -0.61 0.04 0.00 0.00 0.00 0.00 61.98 61.82 1x5p s VAL 20 Cb -0.09 -3.31 -0.02 0.00 0.00 0.00 0.00 36.38 32.96 1x5p s VAL 20 CO 0.27 0.16 -0.11 -0.47 0.00 0.00 0.00 175.10 174.94 1x5p s TYR 21 N -1.40 0.96 0.19 5.22 5.04 0.14 -0.17 117.35 127.33 1x5p s TYR 21 Ca 0.30 -0.43 -0.22 0.00 -2.44 0.00 0.00 57.07 54.27 1x5p s TYR 21 Cb -0.12 -0.56 0.07 0.00 0.35 0.00 0.00 41.96 41.70 1x5p s TYR 21 CO 0.23 -0.01 1.02 0.20 -1.34 0.00 0.00 175.55 175.65 1x5p s GLY 22 N -1.47 0.07 0.00 8.97 0.00 -0.69 -1.77 107.32 112.43 1x5p s GLY 22 Ca -0.04 -0.28 0.00 0.00 0.00 0.00 0.00 44.72 44.40 1x5p s GLY 22 CO 0.01 1.91 0.00 1.18 0.00 0.00 0.00 173.10 176.20 1x5p n GLU 23 N -0.66 0.91 -2.29 2.90 1.02 -1.26 -4.55 120.64 116.71 1x5p n GLU 23 Ca -0.04 0.00 -0.17 0.00 -0.02 0.00 0.00 57.16 56.93 1x5p n GLU 23 Cb 0.60 -0.71 0.03 0.00 -0.02 0.00 0.00 31.44 31.33 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 -1.49 3.89 -4.49 1.62 8.00 -1.26 -5.06 116.55 117.77 1x5p n ASP 24 Ca 0.00 -3.24 -0.27 0.00 0.71 0.00 0.00 54.79 51.99 1x5p n ASP 24 Cb 0.21 -0.39 -0.11 0.00 -0.02 0.00 0.00 41.12 40.81 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 -3.64 1.76 0.19 -1.24 0.23 -1.26 -4.94 119.30 110.40 1x5p s MET 25 Ca 0.44 -1.40 0.09 0.00 -1.03 0.00 0.00 55.69 53.78 1x5p s MET 25 Cb 0.39 -1.99 -0.04 0.00 -1.53 0.00 0.00 34.83 31.65 1x5p s MET 25 CO 0.00 0.42 -0.18 0.95 -2.03 0.00 0.00 175.02 174.18 1x5p s THR 26 N -1.66 1.91 0.09 3.16 -4.23 -1.26 -5.05 115.64 108.60 1x5p s THR 26 Ca 0.22 -2.08 -0.25 0.00 -1.18 0.00 0.00 61.69 58.40 1x5p s THR 26 Cb -0.08 -1.98 -0.09 0.00 1.34 0.00 0.00 72.50 71.68 1x5p s THR 26 CO 0.12 -0.40 1.41 -0.65 -0.54 0.00 0.00 174.62 174.56 1x5p h PRO 27 N 2.91 -0.39 -1.03 3.99 0.11 -1.99 -0.16 132.00 135.42 1x5p h PRO 27 Ca -0.41 0.03 0.28 0.00 0.11 0.00 0.00 66.00 66.01 1x5p h PRO 27 Cb 1.22 0.09 -0.07 0.00 0.11 0.00 0.00 31.00 32.35 1x5p h PRO 27 CO 0.55 -0.26 0.70 1.15 -0.21 0.00 0.00 178.00 179.93 1x5p h THR 28 N -0.41 0.52 -0.25 -1.15 2.02 -2.00 0.81 112.91 112.45 1x5p h THR 28 Ca 0.03 -0.08 -0.01 0.00 0.77 0.00 0.00 66.41 67.13 1x5p h THR 28 Cb 0.50 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 1x5p h THR 28 CO -0.35 0.04 0.12 0.25 0.37 0.00 0.00 175.52 175.95 1x5p h LEU 29 N 0.22 0.32 -1.41 2.58 6.46 -1.45 -2.56 115.31 119.46 1x5p h LEU 29 Ca 0.54 -0.12 -0.05 0.00 -0.12 0.00 0.00 57.88 58.13 1x5p h LEU 29 Cb 1.70 -0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 41.53 1x5p h LEU 29 CO -0.15 0.35 -0.14 -0.07 -0.62 0.00 0.00 178.44 177.81 1x5p h LEU 30 N 0.27 0.20 -0.29 2.25 3.38 -0.31 -1.61 115.31 119.20 1x5p h LEU 30 Ca 0.09 -0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.06 1x5p h LEU 30 Cb 0.11 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.76 1x5p h LEU 30 CO -0.01 0.37 0.01 0.03 0.09 0.00 0.00 178.44 178.92 1x5p h ARG 31 N 0.21 0.09 0.00 1.13 2.47 -0.98 0.52 114.38 117.82 1x5p h ARG 31 Ca 0.04 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.76 1x5p h ARG 31 Cb 0.37 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.67 1x5p h ARG 31 CO 0.02 0.06 -0.23 0.41 0.56 0.00 0.00 179.97 180.79 1x5p n GLY 32 N -1.22 -1.52 0.08 0.04 0.00 -1.10 -2.03 105.19 99.44 1x5p n GLY 32 Ca -0.00 -0.15 -0.09 0.00 0.00 0.00 0.00 46.02 45.78 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 2.70 0.67 0.00 4.61 0.00 -0.36 -3.35 119.26 123.52 1x5p h ALA 33 Ca 0.00 -1.35 0.00 0.00 0.00 0.00 0.00 54.91 53.56 1x5p h ALA 33 Cb 0.65 0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1x5p h ALA 33 CO 0.00 1.50 -1.12 1.19 0.00 0.00 0.00 179.25 180.82 1x5p n PHE 34 N -3.13 0.11 -0.16 0.00 3.01 0.17 -4.32 117.46 113.14 1x5p n PHE 34 Ca -0.14 0.03 -0.05 0.00 1.01 0.00 0.00 57.45 58.31 1x5p n PHE 34 Cb 1.03 -0.28 0.05 0.00 -0.01 0.00 0.00 39.48 40.27 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 0.36 -0.54 4.37 0.87 -1.53 -2.64 113.55 114.44 1x5p h SER 35 Ca 0.00 0.03 0.11 0.00 -1.23 0.00 0.00 61.79 60.69 1x5p h SER 35 Cb 0.67 -0.04 -0.11 0.00 -0.44 0.00 0.00 62.40 62.49 1x5p h SER 35 CO 0.00 0.25 -0.22 -0.65 -0.53 0.00 0.00 176.83 175.68 1x5p h PRO 36 N 0.49 -0.09 -0.82 2.24 0.11 -1.76 -0.31 132.00 131.86 1x5p h PRO 36 Ca 0.22 0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.31 1x5p h PRO 36 Cb 0.13 0.02 -0.04 0.00 0.11 0.00 0.00 31.00 31.22 1x5p h PRO 36 CO -0.15 -0.06 0.44 0.74 -0.21 0.00 0.00 178.00 178.75 1x5p h PHE 37 N -0.09 1.13 0.00 0.65 0.04 -1.77 -3.48 116.94 113.42 1x5p h PHE 37 Ca 0.25 -0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.99 1x5p h PHE 37 Cb 0.48 -0.36 0.00 0.00 2.20 0.00 0.00 35.95 38.27 1x5p h PHE 37 CO -0.52 0.79 0.00 0.41 -0.60 0.00 0.00 178.31 178.39 1x5p n GLY 38 N -1.14 -0.66 3.87 -1.45 0.00 -0.13 -4.80 105.19 100.89 1x5p n GLY 38 Ca 0.08 -0.50 -0.36 0.00 0.00 0.00 0.00 46.02 45.25 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 6.54 -0.39 1.61 2.47 -1.26 -3.92 114.94 115.99 1x5p s ASN 39 Ca 0.00 0.63 -0.13 0.00 0.42 0.00 0.00 52.86 53.78 1x5p s ASN 39 Cb 0.00 -2.12 0.03 0.00 -1.45 0.00 0.00 41.25 37.71 1x5p s ASN 39 CO 0.00 0.30 0.25 -0.63 -3.72 0.00 0.00 177.10 173.30 1x5p s ILE 40 N -1.21 4.90 -0.12 -5.21 1.01 -1.26 -3.00 121.20 116.30 1x5p s ILE 40 Ca 0.24 -0.79 0.18 0.00 0.00 0.00 0.00 60.65 60.28 1x5p s ILE 40 Cb -0.14 -3.74 -0.22 0.00 0.01 0.00 0.00 42.46 38.38 1x5p s ILE 40 CO 0.13 -0.29 0.51 2.30 0.00 0.00 0.00 174.94 177.59 1x5p n ILE 41 N 5.07 1.07 -3.65 2.92 -5.35 -1.11 -4.85 119.36 113.47 1x5p n ILE 41 Ca -0.11 -0.72 -0.25 0.00 -0.27 0.00 0.00 62.75 61.40 1x5p n ILE 41 Cb 0.46 -0.54 -0.17 0.00 -1.74 0.00 0.00 39.64 37.65 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 -5.48 2.11 -0.11 7.28 2.15 -1.26 -5.01 116.67 116.35 1x5p s ASP 42 Ca -0.06 -0.46 -0.03 0.00 0.43 0.00 0.00 52.55 52.44 1x5p s ASP 42 Cb 0.09 -0.27 0.04 0.00 -0.30 0.00 0.00 42.92 42.48 1x5p s ASP 42 CO 0.84 -0.31 0.05 -0.22 -0.17 0.00 0.00 175.17 175.35 1x5p s LEU 43 N 2.10 0.50 -0.04 -1.34 2.96 -1.25 0.40 118.68 122.01 1x5p s LEU 43 Ca 0.02 -0.31 0.03 0.00 -0.22 0.00 0.00 54.13 53.66 1x5p s LEU 43 Cb -0.15 -0.33 0.00 0.00 0.50 0.00 0.00 46.19 46.21 1x5p s LEU 43 CO -0.07 -0.27 -0.13 -0.55 -1.32 0.00 0.00 176.35 174.00 1x5p s SER 44 N 2.05 1.77 -0.09 3.68 0.15 -0.88 -4.98 113.70 115.40 1x5p s SER 44 Ca 0.03 -0.29 0.01 0.00 0.70 0.00 0.00 55.95 56.40 1x5p s SER 44 Cb -0.14 -0.58 -0.02 0.00 -1.71 0.00 0.00 66.02 63.56 1x5p s SER 44 CO -0.06 0.09 -0.10 -0.04 1.20 0.00 0.00 173.24 174.34 1x5p s MET 45 N 0.26 2.99 -0.42 5.44 -1.94 -1.26 -0.77 119.30 123.60 1x5p s MET 45 Ca -0.07 -0.61 0.04 0.00 -1.71 0.00 0.00 55.69 53.34 1x5p s MET 45 Cb -0.12 -2.60 0.11 0.00 2.01 0.00 0.00 34.83 34.23 1x5p s MET 45 CO 0.02 0.48 0.15 -0.51 -0.01 0.00 0.00 175.02 175.15 1x5p s ASP 46 N -0.33 4.58 0.28 3.03 1.01 -0.39 -4.98 116.67 119.88 1x5p s ASP 46 Ca 0.04 -2.55 0.02 0.00 0.71 0.00 0.00 52.55 50.77 1x5p s ASP 46 Cb -0.13 -1.64 0.68 0.00 1.01 0.00 0.00 42.92 42.85 1x5p s ASP 46 CO 0.02 -0.32 1.69 -0.65 0.21 0.00 0.00 175.17 176.13 1x5p h PRO 47 N 7.12 0.35 -0.12 8.23 0.11 -1.95 0.20 132.00 145.93 1x5p h PRO 47 Ca -0.06 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 66.05 1x5p h PRO 47 Cb 0.96 -0.08 -0.04 0.00 0.11 0.00 0.00 31.00 31.95 1x5p h PRO 47 CO 0.60 0.23 -0.33 -1.35 -0.21 0.00 0.00 178.00 176.94 1x5p h PRO 48 N 0.36 -0.32 -0.21 1.05 0.11 -1.94 -0.47 132.00 130.58 1x5p h PRO 48 Ca 0.53 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.67 1x5p h PRO 48 Cb 1.01 0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1x5p h PRO 48 CO -0.54 -0.21 0.00 0.54 -0.21 0.00 0.00 178.00 177.58 1x5p n ARG 49 N -4.31 1.44 -4.44 1.05 3.00 -1.02 -4.88 116.66 107.50 1x5p n ARG 49 Ca -0.03 -0.65 -0.40 0.00 -0.01 0.00 0.00 57.85 56.75 1x5p n ARG 49 Cb 0.23 -1.16 -0.06 0.00 0.00 0.00 0.00 32.46 31.46 1x5p n ARG 49 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1x5p n ASN 50 N 0.03 -2.25 -3.59 0.55 4.13 0.03 -4.86 115.26 109.30 1x5p n ASN 50 Ca 0.06 -1.17 -0.22 0.00 1.68 0.00 0.00 54.58 54.93 1x5p n ASN 50 Cb 0.16 -1.99 -0.05 0.00 -1.54 0.00 0.00 39.78 36.36 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 -2.79 -1.02 -0.24 0.00 0.00 0.76 -1.26 121.76 117.21 1x5p s ALA 52 Ca 0.10 -0.17 -0.03 0.00 0.00 0.00 0.00 51.96 51.86 1x5p s ALA 52 Cb 0.01 0.86 0.08 0.00 0.00 0.00 0.00 23.12 24.06 1x5p s ALA 52 CO 0.07 -0.83 0.08 -0.06 0.00 0.00 0.00 175.76 175.03 1x5p s PHE 53 N -3.87 0.85 -0.13 0.00 0.08 0.05 0.04 117.98 115.00 1x5p s PHE 53 Ca 0.09 -0.96 -0.06 0.00 0.12 0.00 0.00 56.93 56.13 1x5p s PHE 53 Cb -0.02 -1.08 -0.04 0.00 -0.57 0.00 0.00 43.02 41.31 1x5p s PHE 53 CO -0.03 -0.70 0.07 0.08 -0.10 0.00 0.00 175.22 174.54 1x5p s VAL 54 N 1.91 4.89 0.04 -0.44 1.01 -0.87 -2.07 120.40 124.88 1x5p s VAL 54 Ca 0.04 -0.02 0.07 0.00 0.00 0.00 0.00 61.98 62.08 1x5p s VAL 54 Cb -0.17 -3.13 -0.03 0.00 0.00 0.00 0.00 36.38 33.05 1x5p s VAL 54 CO -0.19 0.56 -0.18 -0.89 0.00 0.00 0.00 175.10 174.40 1x5p s THR 55 N -0.51 2.81 -0.04 3.92 2.01 0.16 -0.27 115.64 123.72 1x5p s THR 55 Ca 0.10 -1.18 0.03 0.00 0.31 0.00 0.00 61.69 60.96 1x5p s THR 55 Cb -0.12 -2.18 -0.03 0.00 0.01 0.00 0.00 72.50 70.18 1x5p s THR 55 CO 0.02 0.34 -0.12 -0.31 -0.69 0.00 0.00 174.62 173.86 1x5p s TYR 56 N -0.92 2.78 0.63 4.92 2.02 -0.79 -2.74 117.35 123.24 1x5p s TYR 56 Ca 0.15 -0.10 0.35 0.00 -0.37 0.00 0.00 57.07 57.10 1x5p s TYR 56 Cb -0.10 -1.64 2.01 0.00 -0.40 0.00 0.00 41.96 41.83 1x5p s TYR 56 CO 0.05 0.25 2.24 1.49 -1.57 0.00 0.00 175.55 178.01 1x5p h GLU 57 N 5.17 0.00 -4.83 -0.62 4.81 -1.89 -3.40 114.58 113.82 1x5p h GLU 57 Ca -0.47 0.00 -0.48 0.00 -0.13 0.00 0.00 59.36 58.28 1x5p h GLU 57 Cb 1.16 0.00 -0.31 0.00 0.63 0.00 0.00 28.75 30.23 1x5p h GLU 57 CO 0.51 0.00 -0.80 0.15 -0.73 0.00 0.00 179.01 178.14 1x5p s LYS 58 N -4.40 1.26 0.27 1.92 1.02 -1.26 -5.03 119.74 113.52 1x5p s LYS 58 Ca -0.05 -0.41 -0.01 0.00 0.02 0.00 0.00 55.97 55.53 1x5p s LYS 58 Cb 0.14 -1.13 0.49 0.00 -0.52 0.00 0.00 37.83 36.80 1x5p s LYS 58 CO 0.47 0.15 1.83 0.00 -0.92 0.00 0.00 175.35 176.89 1x5p h MET 59 N 6.36 0.94 -0.81 1.68 -0.00 -1.79 -2.59 114.93 118.72 1x5p h MET 59 Ca -0.33 -0.06 0.13 0.00 -0.00 0.00 0.00 59.70 59.45 1x5p h MET 59 Cb 1.17 -0.21 -0.14 0.00 -0.00 0.00 0.00 31.60 32.42 1x5p h MET 59 CO 0.48 0.62 -0.29 -0.85 -0.00 0.00 0.00 176.91 176.87 1x5p n GLU 60 N -4.64 -0.17 -0.04 -0.10 0.28 -1.26 0.88 120.64 115.59 1x5p n GLU 60 Ca 0.17 1.25 -0.09 0.00 -0.16 0.00 0.00 57.16 58.34 1x5p n GLU 60 Cb 0.31 -1.86 -0.03 0.00 1.43 0.00 0.00 31.44 31.29 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 0.04 -0.48 -1.84 0.02 -1.77 -2.54 113.55 106.98 1x5p h SER 61 Ca 0.30 0.03 0.04 0.00 -0.84 0.00 0.00 61.79 61.32 1x5p h SER 61 Cb 0.51 0.03 -0.06 0.00 0.14 0.00 0.00 62.40 63.02 1x5p h SER 61 CO -0.81 0.05 -0.28 0.00 -1.14 0.00 0.00 176.83 174.65 1x5p n ALA 62 N -2.26 -0.31 -0.16 3.77 0.00 0.25 0.55 120.51 122.36 1x5p n ALA 62 Ca -0.03 0.41 -0.08 0.00 0.00 0.00 0.00 53.44 53.74 1x5p n ALA 62 Cb 0.08 0.04 0.01 0.00 0.00 0.00 0.00 19.45 19.58 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 0.61 0.11 0.00 1.82 -1.45 -2.20 116.42 115.31 1x5p h ASP 63 Ca 0.08 -0.12 0.00 0.00 -0.39 0.00 0.00 57.03 56.59 1x5p h ASP 63 Cb 0.20 -0.16 -0.01 0.00 0.68 0.00 0.00 39.33 40.04 1x5p h ASP 63 CO -0.45 0.56 -0.21 1.56 -1.61 0.00 0.00 179.24 179.09 1x5p h GLN 64 N 0.61 -0.33 -0.12 0.28 4.20 0.54 0.19 115.11 120.48 1x5p h GLN 64 Ca 0.16 0.02 0.02 0.00 0.06 0.00 0.00 58.65 58.92 1x5p h GLN 64 Cb 0.11 0.07 -0.05 0.00 0.30 0.00 0.00 27.48 27.91 1x5p h GLN 64 CO -0.02 -0.22 -0.43 0.00 -0.67 0.00 0.00 178.83 177.49 1x5p h ALA 65 N -1.27 -0.79 -0.18 3.87 0.00 -0.13 0.36 119.26 121.11 1x5p h ALA 65 Ca -0.01 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.91 1x5p h ALA 65 Cb 0.32 0.93 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1x5p h ALA 65 CO -0.07 -0.95 0.55 0.28 0.00 0.00 0.00 179.25 179.05 1x5p h VAL 66 N -0.45 0.09 0.14 0.00 2.07 -1.35 1.68 116.25 118.43 1x5p h VAL 66 Ca 0.03 0.00 -0.32 0.00 0.82 0.00 0.00 66.70 67.23 1x5p h VAL 66 Cb 0.53 0.49 -0.00 0.00 -1.52 0.00 0.00 31.29 30.79 1x5p h VAL 66 CO -0.36 0.00 -1.61 0.00 0.02 0.00 0.00 177.57 175.62 1x5p h ALA 67 N 1.07 0.25 0.00 1.67 0.00 0.18 -3.28 119.26 119.15 1x5p h ALA 67 Ca 0.09 -1.13 -0.07 0.00 0.00 0.00 0.00 54.91 53.80 1x5p h ALA 67 Cb 1.18 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 19.31 1x5p h ALA 67 CO -0.00 1.12 -1.11 0.39 0.00 0.00 0.00 179.25 179.64 1x5p n GLU 68 N -3.49 0.52 0.18 0.00 -0.58 0.16 -4.33 120.64 113.11 1x5p n GLU 68 Ca -0.19 0.29 0.08 0.00 -0.42 0.00 0.00 57.16 56.92 1x5p n GLU 68 Cb 1.05 -1.50 0.45 0.00 -0.57 0.00 0.00 31.44 30.87 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 0.20 -3.34 115.31 101.10 1x5p h LEU 69 Ca -0.10 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.30 1x5p h LEU 69 Cb 1.00 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.72 1x5p h LEU 69 CO -0.06 0.00 1.29 0.21 0.09 0.00 0.00 178.44 179.97 1x5p s ASN 70 N -3.63 5.81 -1.25 -0.43 3.84 -1.21 -2.37 114.94 115.70 1x5p s ASN 70 Ca -0.02 1.18 0.00 0.00 0.21 0.00 0.00 52.86 54.23 1x5p s ASN 70 Cb 0.05 -2.53 0.00 0.00 -0.55 0.00 0.00 41.25 38.22 1x5p s ASN 70 CO 0.15 -1.80 0.00 0.61 -2.79 0.00 0.00 177.10 173.27 1x5p n GLY 71 N 5.45 1.03 3.85 1.21 0.00 -0.71 -4.93 105.19 111.10 1x5p n GLY 71 Ca 0.23 -0.44 -0.32 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.49 4.70 -0.52 2.61 -1.32 -1.00 -4.84 115.64 112.78 1x5p s THR 72 Ca 0.00 0.88 -0.08 0.00 -1.21 0.00 0.00 61.69 61.28 1x5p s THR 72 Cb 0.00 -3.64 0.14 0.00 -1.51 0.00 0.00 72.50 67.49 1x5p s THR 72 CO 0.00 -0.27 0.39 -1.58 -2.21 0.00 0.00 174.62 170.95 1x5p s GLN 73 N -3.20 2.55 -0.04 7.08 0.74 -1.26 -0.78 119.66 124.74 1x5p s GLN 73 Ca 0.54 -1.97 0.04 0.00 0.05 0.00 0.00 55.36 54.02 1x5p s GLN 73 Cb -0.10 -3.91 -0.03 0.00 1.10 0.00 0.00 33.01 30.08 1x5p s GLN 73 CO 0.21 -1.19 -0.16 0.14 -0.55 0.00 0.00 175.29 173.74 1x5p s VAL 74 N 0.99 2.93 -1.40 1.34 -7.23 -0.43 -4.58 120.40 112.01 1x5p s VAL 74 Ca 0.09 -0.78 0.00 0.00 -1.81 0.00 0.00 61.98 59.48 1x5p s VAL 74 Cb -0.23 -2.13 0.00 0.00 0.56 0.00 0.00 36.38 34.57 1x5p s VAL 74 CO -0.02 0.59 0.00 -0.62 -0.31 0.00 0.00 175.10 174.73 1x5p n GLU 75 N 2.32 -1.93 -2.18 4.82 -0.58 -1.26 -0.22 120.64 121.61 1x5p n GLU 75 Ca -0.17 0.79 -0.11 0.00 -0.42 0.00 0.00 57.16 57.26 1x5p n GLU 75 Cb 0.52 -5.39 -0.01 0.00 -0.57 0.00 0.00 31.44 25.99 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 -1.80 -3.53 -3.76 1.62 2.88 -1.26 -5.02 113.62 102.76 1x5p n SER 76 Ca -0.19 -0.00 -0.18 0.00 -1.33 0.00 0.00 58.87 57.17 1x5p n SER 76 Cb 0.63 -2.76 -0.17 0.00 -0.75 0.00 0.00 64.21 61.17 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 -2.53 0.07 -0.65 2.46 1.01 0.70 -5.07 120.40 116.40 1x5p s VAL 77 Ca 0.00 0.22 -0.27 0.00 0.00 0.00 0.00 61.98 61.92 1x5p s VAL 77 Cb 0.00 -0.24 0.02 0.00 0.00 0.00 0.00 36.38 36.17 1x5p s VAL 77 CO 0.00 0.16 1.35 -1.10 0.00 0.00 0.00 175.10 175.51 1x5p s GLN 78 N 1.51 3.24 0.00 2.72 -0.21 -1.26 -1.31 119.66 124.35 1x5p s GLN 78 Ca -0.03 0.12 -0.15 0.00 0.02 0.00 0.00 55.36 55.32 1x5p s GLN 78 Cb -0.13 -4.15 -0.06 0.00 1.00 0.00 0.00 33.01 29.68 1x5p s GLN 78 CO -0.03 -2.04 0.41 -0.51 -2.12 0.00 0.00 175.29 171.00 1x5p s LEU 79 N 5.94 4.48 -0.27 2.90 1.43 0.04 -4.71 118.68 128.48 1x5p s LEU 79 Ca 0.44 0.97 0.03 0.00 -1.03 0.00 0.00 54.13 54.54 1x5p s LEU 79 Cb -0.09 -2.59 0.07 0.00 0.03 0.00 0.00 46.19 43.61 1x5p s LEU 79 CO 0.20 0.33 -0.08 -0.54 0.23 0.00 0.00 176.35 176.49 1x5p s LYS 80 N -1.08 2.07 0.05 1.70 1.02 -0.73 -1.73 119.74 121.04 1x5p s LYS 80 Ca 0.24 -1.41 0.02 0.00 0.02 0.00 0.00 55.97 54.84 1x5p s LYS 80 Cb -0.17 -2.92 -0.04 0.00 -0.52 0.00 0.00 37.83 34.19 1x5p s LYS 80 CO 0.13 -0.64 0.04 0.08 -0.92 0.00 0.00 175.35 174.05 1x5p s VAL 81 N 1.09 4.37 0.10 3.17 1.01 -1.25 0.26 120.40 129.15 1x5p s VAL 81 Ca -0.05 -0.72 -0.10 0.00 0.00 0.00 0.00 61.98 61.11 1x5p s VAL 81 Cb -0.20 -3.05 0.00 0.00 0.00 0.00 0.00 36.38 33.14 1x5p s VAL 81 CO -0.06 0.22 0.23 0.21 0.00 0.00 0.00 175.10 175.70 1x5p s ASN 82 N -2.07 0.06 -0.83 3.32 3.84 0.10 -4.54 114.94 114.82 1x5p s ASN 82 Ca 0.25 -0.60 -0.25 0.00 0.21 0.00 0.00 52.86 52.47 1x5p s ASN 82 Cb -0.12 0.36 0.01 0.00 -0.55 0.00 0.00 41.25 40.95 1x5p s ASN 82 CO 0.17 -0.75 1.59 -0.63 -2.79 0.00 0.00 177.10 174.69 1x5p s ILE 83 N -3.85 3.65 0.46 -5.21 -1.09 -1.26 0.22 121.20 114.12 1x5p s ILE 83 Ca 0.05 -0.15 -0.19 0.00 -2.23 0.00 0.00 60.65 58.12 1x5p s ILE 83 Cb 0.04 -4.57 -0.15 0.00 -1.58 0.00 0.00 42.46 36.20 1x5p s ILE 83 CO -0.11 -1.50 -0.04 0.00 -1.23 0.00 0.00 174.94 172.07 1x5p n ALA 84 N 10.90 -3.03 0.11 9.38 0.00 -1.24 -4.89 120.51 131.74 1x5p n ALA 84 Ca 0.24 0.02 0.09 0.00 0.00 0.00 0.00 53.44 53.79 1x5p n ALA 84 Cb 0.50 -1.43 -0.14 0.00 0.00 0.00 0.00 19.45 18.38 1x5p n ALA 84 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1x5p n ARG 85 N 1.43 0.63 -1.63 0.00 3.00 -1.26 -4.47 116.66 114.36 1x5p n ARG 85 Ca 0.09 -0.14 -0.35 0.00 -0.00 0.00 0.00 57.85 57.44 1x5p n ARG 85 Cb 0.44 -1.42 0.04 0.00 0.00 0.00 0.00 32.46 31.52 1x5p n ARG 85 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1x5p n LYS 86 N -2.04 2.63 -3.74 -0.14 4.76 -1.26 -4.77 118.16 113.60 1x5p n LYS 86 Ca -0.02 -3.18 -0.28 0.00 -2.87 0.00 0.00 58.31 51.95 1x5p n LYS 86 Cb 0.45 -2.22 -0.12 0.00 -1.84 0.00 0.00 35.03 31.30 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 -3.57 1.90 1.22 1.97 -2.07 -1.26 -5.10 119.66 112.75 1x5p s GLN 87 Ca 0.55 -2.84 -0.20 0.00 -1.82 0.00 0.00 55.36 51.05 1x5p s GLN 87 Cb 0.44 -2.76 0.30 0.00 -1.09 0.00 0.00 33.01 29.90 1x5p s GLN 87 CO -0.25 -1.29 1.11 -1.25 -1.32 0.00 0.00 175.29 172.29 1x5p s PRO 88 N -0.81 -1.39 0.73 9.60 0.04 -1.26 -4.86 135.00 137.05 1x5p s PRO 88 Ca 0.26 -0.12 -0.15 0.00 0.04 0.00 0.00 61.00 61.03 1x5p s PRO 88 Cb -0.05 -1.58 0.04 0.00 0.04 0.00 0.00 34.50 32.94 1x5p s PRO 88 CO -0.15 -3.81 1.19 0.00 0.04 0.00 0.00 177.00 174.27 1x5p s MET 89 N -5.45 2.19 -0.28 4.56 0.23 -1.26 -5.01 119.30 114.28 1x5p s MET 89 Ca 0.71 1.68 -0.18 0.00 -1.03 0.00 0.00 55.69 56.88 1x5p s MET 89 Cb -0.09 -1.85 0.11 0.00 -1.53 0.00 0.00 34.83 31.47 1x5p s MET 89 CO 0.56 -1.78 0.83 -0.48 -2.03 0.00 0.00 175.02 172.12 1x5p s LEU 90 N -5.18 -0.72 0.32 0.18 0.05 -1.26 -5.18 118.68 106.89 1x5p s LEU 90 Ca 0.73 1.20 0.06 0.00 0.05 0.00 0.00 54.13 56.16 1x5p s LEU 90 Cb -0.27 2.12 -0.03 0.00 -2.05 0.00 0.00 46.19 45.96 1x5p s LEU 90 CO 0.45 -0.19 0.29 1.51 -0.55 0.00 0.00 176.35 177.86 1x5p s ASP 91 N 1.24 1.50 -0.13 1.48 -4.77 -1.26 -5.10 116.67 109.63 1x5p s ASP 91 Ca -0.07 -1.71 -0.09 0.00 -3.30 0.00 0.00 52.55 47.38 1x5p s ASP 91 Cb -0.05 0.56 -0.06 0.00 -1.09 0.00 0.00 42.92 42.28 1x5p s ASP 91 CO -0.14 -1.08 -0.21 -1.54 0.70 0.00 0.00 175.17 172.90 1x5p n SER 92 N -1.46 1.27 0.00 2.11 3.41 -1.26 -5.14 113.62 112.56 1x5p n SER 92 Ca 0.06 0.21 0.00 0.00 -0.26 0.00 0.00 58.87 58.89 1x5p n SER 92 Cb 0.62 -0.51 0.00 0.00 -0.26 0.00 0.00 64.21 64.07 1x5p n SER 92 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x5p n GLY 93 N 2.08 -1.28 0.20 5.00 0.00 -1.26 -5.03 105.19 104.90 1x5p n GLY 93 Ca -0.25 -0.92 -0.13 0.00 0.00 0.00 0.00 46.02 44.71 1x5p n GLY 93 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x5p h PRO 94 N 0.00 0.67 -6.57 1.61 0.13 -2.05 -3.46 132.00 122.33 1x5p h PRO 94 Ca 0.00 -0.35 -0.55 0.00 -0.87 0.00 0.00 66.00 64.23 1x5p h PRO 94 Cb 0.00 0.01 0.20 0.00 0.13 0.00 0.00 31.00 31.34 1x5p h PRO 94 CO 0.00 0.96 -0.67 -1.13 -0.23 0.00 0.00 178.00 176.93 1x5p n SER 95 N -4.30 -2.18 -3.62 1.44 3.41 -1.26 -2.86 113.62 104.24 1x5p n SER 95 Ca -0.04 0.47 -0.24 0.00 -0.26 0.00 0.00 58.87 58.80 1x5p n SER 95 Cb 0.46 -1.14 0.07 0.00 -0.26 0.00 0.00 64.21 63.34 1x5p n SER 95 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1x5p n SER 96 N 0.04 -5.10 0.00 4.04 7.64 -1.26 -5.06 113.62 113.91 1x5p n SER 96 Ca 0.07 -0.61 0.02 0.00 1.01 0.00 0.00 58.87 59.37 1x5p n SER 96 Cb 0.51 -4.82 0.10 0.00 -1.01 0.00 0.00 64.21 59.00 1x5p n SER 96 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64