#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 4.96 -0.57 1.61 0.01 -1.26 -5.02 113.70 113.44 1x5p s SER 2 Ca 0.00 -3.78 -0.06 0.00 1.31 0.00 0.00 55.95 53.42 1x5p s SER 2 Cb 0.00 -1.68 0.15 0.00 0.21 0.00 0.00 66.02 64.70 1x5p s SER 2 CO 0.00 -0.11 0.41 -0.55 0.41 0.00 0.00 173.24 173.40 1x5p s SER 3 N -1.19 5.52 0.00 2.44 0.15 -1.26 -5.00 113.70 114.36 1x5p s SER 3 Ca 0.25 -2.44 0.00 0.00 0.70 0.00 0.00 55.95 54.45 1x5p s SER 3 Cb -0.06 -1.93 0.00 0.00 -1.71 0.00 0.00 66.02 62.32 1x5p s SER 3 CO -0.15 -0.51 0.00 0.61 1.20 0.00 0.00 173.24 174.40 1x5p n GLY 4 N 4.11 1.77 2.95 9.45 0.00 -1.26 -5.05 105.19 117.15 1x5p n GLY 4 Ca 0.03 -2.21 -0.29 0.00 0.00 0.00 0.00 46.02 43.54 1x5p n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x5p s SER 5 N 0.00 2.86 0.13 1.61 0.01 -1.26 -5.10 113.70 111.94 1x5p s SER 5 Ca 0.00 -0.63 -0.24 0.00 1.31 0.00 0.00 55.95 56.39 1x5p s SER 5 Cb 0.00 -1.05 0.08 0.00 0.21 0.00 0.00 66.02 65.27 1x5p s SER 5 CO 0.00 -0.14 1.10 -0.55 0.41 0.00 0.00 173.24 174.06 1x5p s SER 6 N 1.55 -0.01 0.00 2.44 0.15 -1.26 -5.19 113.70 111.38 1x5p s SER 6 Ca 0.02 -0.53 0.00 0.00 0.70 0.00 0.00 55.95 56.14 1x5p s SER 6 Cb -0.15 0.41 0.00 0.00 -1.71 0.00 0.00 66.02 64.57 1x5p s SER 6 CO -0.09 -0.80 0.00 0.61 1.20 0.00 0.00 173.24 174.16 1x5p n GLY 7 N -0.72 4.86 3.54 9.45 0.00 -1.26 -5.08 105.19 115.98 1x5p n GLY 7 Ca -0.02 -0.57 -0.47 0.00 0.00 0.00 0.00 46.02 44.96 1x5p n GLY 7 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1x5p n GLU 8 N 0.00 1.62 -1.57 1.61 4.71 -1.26 -4.84 120.64 120.91 1x5p n GLU 8 Ca 0.00 0.46 -0.55 0.00 -0.01 0.00 0.00 57.16 57.06 1x5p n GLU 8 Cb 0.00 -2.87 -0.07 0.00 -1.01 0.00 0.00 31.44 27.49 1x5p n GLU 8 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 1x5p n ARG 9 N 8.37 0.79 -2.71 3.49 5.12 -1.26 -4.95 116.66 125.50 1x5p n ARG 9 Ca 0.34 0.29 -0.20 0.00 -1.93 0.00 0.00 57.85 56.34 1x5p n ARG 9 Cb 0.35 -1.89 0.03 0.00 -1.16 0.00 0.00 32.46 29.79 1x5p n ARG 9 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1x5p s ARG 10 N 0.48 2.57 -0.04 5.56 1.81 -1.26 -5.11 118.95 122.96 1x5p s ARG 10 Ca 0.87 -0.89 -0.02 0.00 -1.72 0.00 0.00 55.73 53.97 1x5p s ARG 10 Cb -1.06 -2.54 -0.04 0.00 -0.45 0.00 0.00 34.95 30.87 1x5p s ARG 10 CO 0.51 -0.66 0.08 0.00 -0.68 0.00 0.00 175.30 174.56 1x5p s ALA 11 N -2.70 3.60 -0.27 2.13 0.00 -1.26 -5.06 121.76 118.21 1x5p s ALA 11 Ca 0.57 -0.82 -0.29 0.00 0.00 0.00 0.00 51.96 51.43 1x5p s ALA 11 Cb -0.10 -1.64 -0.02 0.00 0.00 0.00 0.00 23.12 21.36 1x5p s ALA 11 CO 0.38 0.66 1.64 -1.25 0.00 0.00 0.00 175.76 177.19 1x5p s PRO 12 N -1.48 3.65 0.90 0.00 0.04 -1.26 -4.99 135.00 131.85 1x5p s PRO 12 Ca 0.20 1.53 -0.11 0.00 0.04 0.00 0.00 61.00 62.66 1x5p s PRO 12 Cb -0.12 -4.08 0.13 0.00 0.04 0.00 0.00 34.50 30.48 1x5p s PRO 12 CO 0.11 -1.47 1.09 1.03 0.04 0.00 0.00 177.00 177.80 1x5p s ARG 13 N 4.95 1.23 -0.11 4.56 3.00 -1.26 -5.07 118.95 126.25 1x5p s ARG 13 Ca 0.73 0.99 -0.30 0.00 0.00 0.00 0.00 55.73 57.15 1x5p s ARG 13 Cb -0.23 -1.79 0.09 0.00 0.00 0.00 0.00 34.95 33.01 1x5p s ARG 13 CO 0.31 -2.31 0.77 -1.59 0.00 0.00 0.00 175.30 172.48 1x5p s LYS 14 N -4.85 0.90 -0.23 3.54 0.00 -1.26 -5.15 119.74 112.70 1x5p s LYS 14 Ca 0.64 0.33 -0.29 0.00 0.00 0.00 0.00 55.97 56.65 1x5p s LYS 14 Cb -0.19 0.43 0.16 0.00 0.00 0.00 0.00 37.83 38.23 1x5p s LYS 14 CO 0.58 -0.26 1.18 0.20 0.00 0.00 0.00 175.35 177.05 1x5p s GLY 15 N -0.94 -0.06 -0.14 0.59 0.00 -1.26 -5.06 107.32 100.45 1x5p s GLY 15 Ca -0.07 2.54 0.05 0.00 0.00 0.00 0.00 44.72 47.24 1x5p s GLY 15 CO 0.06 1.22 -0.07 1.16 0.00 0.00 0.00 173.10 175.47 1x5p n ASN 16 N 0.86 2.57 -4.88 1.64 6.94 -1.26 -4.51 115.26 116.62 1x5p n ASN 16 Ca -0.06 -0.05 -0.30 0.00 -0.02 0.00 0.00 54.58 54.14 1x5p n ASN 16 Cb 0.58 0.13 -0.03 0.00 -2.36 0.00 0.00 39.78 38.11 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 -2.30 4.80 -0.03 5.53 2.01 -1.26 -1.46 115.64 122.94 1x5p s THR 17 Ca -0.15 0.56 -0.01 0.00 0.31 0.00 0.00 61.69 62.41 1x5p s THR 17 Cb 0.05 -3.76 0.03 0.00 0.01 0.00 0.00 72.50 68.83 1x5p s THR 17 CO 0.40 -0.59 0.04 -0.76 -0.69 0.00 0.00 174.62 173.01 1x5p s LEU 18 N -4.02 0.83 -0.42 4.42 1.43 0.71 -4.27 118.68 117.35 1x5p s LEU 18 Ca 0.51 0.05 -0.25 0.00 -1.03 0.00 0.00 54.13 53.41 1x5p s LEU 18 Cb -0.10 -0.09 0.02 0.00 0.03 0.00 0.00 46.19 46.04 1x5p s LEU 18 CO 0.34 -0.16 0.88 -0.47 0.23 0.00 0.00 176.35 177.17 1x5p s TYR 19 N 1.36 2.99 0.09 0.29 6.14 -0.09 -1.22 117.35 126.92 1x5p s TYR 19 Ca -0.05 0.46 0.02 0.00 0.64 0.00 0.00 57.07 58.14 1x5p s TYR 19 Cb -0.13 -3.77 -0.04 0.00 0.42 0.00 0.00 41.96 38.44 1x5p s TYR 19 CO -0.03 -0.97 0.16 0.08 0.64 0.00 0.00 175.55 175.44 1x5p s VAL 20 N 3.53 4.97 0.03 3.14 1.01 0.56 -0.68 120.40 132.95 1x5p s VAL 20 Ca 0.35 -0.65 0.03 0.00 0.00 0.00 0.00 61.98 61.72 1x5p s VAL 20 Cb -0.11 -3.45 -0.02 0.00 0.00 0.00 0.00 36.38 32.80 1x5p s VAL 20 CO 0.23 0.07 -0.10 -0.47 0.00 0.00 0.00 175.10 174.83 1x5p s TYR 21 N -1.53 0.86 0.27 5.22 5.04 0.14 0.23 117.35 127.59 1x5p s TYR 21 Ca 0.32 -0.33 -0.19 0.00 -2.44 0.00 0.00 57.07 54.43 1x5p s TYR 21 Cb -0.12 -0.52 0.07 0.00 0.35 0.00 0.00 41.96 41.74 1x5p s TYR 21 CO 0.25 -0.01 0.95 0.41 -1.34 0.00 0.00 175.55 175.81 1x5p n GLY 22 N 2.05 0.74 0.00 8.97 0.00 0.76 -1.83 105.19 115.88 1x5p n GLY 22 Ca -0.18 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.64 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 -0.66 0.02 -2.24 1.61 1.02 -1.26 -4.43 120.64 114.70 1x5p n GLU 23 Ca -0.05 0.00 -0.19 0.00 -0.02 0.00 0.00 57.16 56.90 1x5p n GLU 23 Cb 0.59 -0.66 0.02 0.00 -0.02 0.00 0.00 31.44 31.37 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 -1.82 4.15 -4.57 1.62 9.92 -1.26 -5.04 116.55 119.56 1x5p n ASP 24 Ca 0.00 -3.38 -0.25 0.00 -0.53 0.00 0.00 54.79 50.63 1x5p n ASP 24 Cb 0.16 -0.38 -0.09 0.00 -0.64 0.00 0.00 41.12 40.17 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 -3.62 2.04 0.12 -1.24 0.23 -1.26 -4.96 119.30 110.60 1x5p s MET 25 Ca 0.45 -1.44 0.05 0.00 -1.03 0.00 0.00 55.69 53.73 1x5p s MET 25 Cb 0.39 -2.06 -0.04 0.00 -1.53 0.00 0.00 34.83 31.59 1x5p s MET 25 CO 0.00 0.39 -0.12 0.95 -2.03 0.00 0.00 175.02 174.21 1x5p s THR 26 N -2.09 1.18 0.14 3.16 -4.23 -1.26 -5.06 115.64 107.49 1x5p s THR 26 Ca 0.28 -1.74 -0.28 0.00 -1.18 0.00 0.00 61.69 58.77 1x5p s THR 26 Cb -0.07 -1.52 -0.03 0.00 1.34 0.00 0.00 72.50 72.22 1x5p s THR 26 CO 0.17 -0.51 1.57 -0.65 -0.54 0.00 0.00 174.62 174.66 1x5p h PRO 27 N 3.43 -0.38 -1.19 3.99 0.11 -1.99 0.54 132.00 136.51 1x5p h PRO 27 Ca -0.38 0.03 0.34 0.00 0.11 0.00 0.00 66.00 66.09 1x5p h PRO 27 Cb 1.19 0.09 -0.09 0.00 0.11 0.00 0.00 31.00 32.30 1x5p h PRO 27 CO 0.53 -0.26 0.80 1.15 -0.21 0.00 0.00 178.00 180.02 1x5p h THR 28 N -0.40 0.38 0.02 -1.15 2.02 -2.00 0.12 112.91 111.90 1x5p h THR 28 Ca 0.11 -0.07 -0.00 0.00 0.77 0.00 0.00 66.41 67.22 1x5p h THR 28 Cb 0.60 0.17 0.00 0.00 -1.74 0.00 0.00 68.15 67.19 1x5p h THR 28 CO -0.51 0.03 -0.01 0.25 0.37 0.00 0.00 175.52 175.65 1x5p h LEU 29 N 0.19 -0.02 -2.32 2.58 6.46 -1.33 -3.05 115.31 117.82 1x5p h LEU 29 Ca 0.65 -0.48 0.01 0.00 -0.12 0.00 0.00 57.88 57.94 1x5p h LEU 29 Cb 2.07 0.01 -0.00 0.00 -0.73 0.00 0.00 40.66 42.00 1x5p h LEU 29 CO -0.22 0.47 0.04 -0.07 -0.62 0.00 0.00 178.44 178.04 1x5p h LEU 30 N -0.52 0.00 -0.51 2.25 3.38 -0.23 -0.83 115.31 118.85 1x5p h LEU 30 Ca -0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1x5p h LEU 30 Cb 0.50 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 1x5p h LEU 30 CO 0.00 0.00 0.19 0.03 0.09 0.00 0.00 178.44 178.75 1x5p h ARG 31 N 0.00 0.77 -0.01 1.13 3.08 -1.07 0.19 114.38 118.47 1x5p h ARG 31 Ca 0.02 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 59.92 1x5p h ARG 31 Cb 0.10 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.03 1x5p h ARG 31 CO -0.00 0.69 -0.29 0.41 -1.07 0.00 0.00 179.97 179.72 1x5p n GLY 32 N -0.76 -0.60 0.12 0.04 0.00 -0.71 -2.41 105.19 100.87 1x5p n GLY 32 Ca 0.02 -0.42 -0.15 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.65 1.37 0.05 4.61 0.00 -0.40 -4.37 120.51 121.12 1x5p n ALA 33 Ca 0.12 -1.04 0.09 0.00 0.00 0.00 0.00 53.44 52.61 1x5p n ALA 33 Cb 0.36 -0.33 -0.07 0.00 0.00 0.00 0.00 19.45 19.40 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 -3.11 0.64 -0.14 0.00 3.01 0.63 -4.24 117.46 114.25 1x5p n PHE 34 Ca -0.35 0.19 -0.07 0.00 1.01 0.00 0.00 57.45 58.23 1x5p n PHE 34 Cb 1.06 -0.84 0.02 0.00 -0.01 0.00 0.00 39.48 39.71 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 0.43 -1.12 4.37 0.87 -1.61 -2.28 113.55 114.20 1x5p h SER 35 Ca -0.04 0.00 0.31 0.00 -1.23 0.00 0.00 61.79 60.83 1x5p h SER 35 Cb 1.13 -0.09 -0.08 0.00 -0.44 0.00 0.00 62.40 62.92 1x5p h SER 35 CO 0.01 0.30 0.76 -0.65 -0.53 0.00 0.00 176.83 176.72 1x5p h PRO 36 N 0.53 0.21 0.12 2.24 0.11 -1.76 0.24 132.00 133.69 1x5p h PRO 36 Ca 0.17 -0.01 -0.28 0.00 0.11 0.00 0.00 66.00 66.00 1x5p h PRO 36 Cb 0.01 -0.05 0.01 0.00 0.11 0.00 0.00 31.00 31.08 1x5p h PRO 36 CO -0.08 0.14 -1.22 0.74 -0.21 0.00 0.00 178.00 177.38 1x5p h PHE 37 N 0.22 0.64 -0.61 0.65 -1.00 -1.66 -3.49 116.94 111.68 1x5p h PHE 37 Ca 0.61 -0.43 0.00 0.00 2.81 0.00 0.00 57.97 60.95 1x5p h PHE 37 Cb 1.89 -0.04 0.00 0.00 3.61 0.00 0.00 35.95 41.41 1x5p h PHE 37 CO -0.00 1.31 0.00 0.41 -1.61 0.00 0.00 178.31 178.42 1x5p n GLY 38 N 1.42 0.73 3.73 -1.45 0.00 0.85 -4.86 105.19 105.61 1x5p n GLY 38 Ca -0.10 -0.72 -0.39 0.00 0.00 0.00 0.00 46.02 44.82 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 0.46 6.85 -0.42 1.61 2.47 -1.26 -4.03 114.94 120.61 1x5p s ASN 39 Ca 0.00 1.02 -0.20 0.00 0.42 0.00 0.00 52.86 54.10 1x5p s ASN 39 Cb 0.00 -2.35 0.02 0.00 -1.45 0.00 0.00 41.25 37.47 1x5p s ASN 39 CO 0.00 -0.02 0.58 -0.63 -3.72 0.00 0.00 177.10 173.31 1x5p s ILE 40 N 0.54 4.91 -0.13 -5.21 1.01 -1.26 -2.72 121.20 118.35 1x5p s ILE 40 Ca 0.31 0.03 0.19 0.00 0.00 0.00 0.00 60.65 61.18 1x5p s ILE 40 Cb -0.17 -4.14 -0.22 0.00 0.01 0.00 0.00 42.46 37.94 1x5p s ILE 40 CO 0.14 -0.52 0.49 2.30 0.00 0.00 0.00 174.94 177.36 1x5p n ILE 41 N 5.71 0.96 -3.58 2.92 -5.35 -1.10 -4.86 119.36 114.06 1x5p n ILE 41 Ca -0.03 -0.70 -0.22 0.00 -0.27 0.00 0.00 62.75 61.53 1x5p n ILE 41 Cb 0.48 -0.46 -0.16 0.00 -1.74 0.00 0.00 39.64 37.76 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 -5.37 1.76 -0.19 7.28 -1.08 -1.25 -5.01 116.67 112.82 1x5p s ASP 42 Ca -0.07 -0.33 -0.02 0.00 -0.52 0.00 0.00 52.55 51.61 1x5p s ASP 42 Cb 0.09 0.03 0.06 0.00 -1.46 0.00 0.00 42.92 41.64 1x5p s ASP 42 CO 0.84 -0.32 0.02 -0.22 0.52 0.00 0.00 175.17 176.01 1x5p s LEU 43 N 2.22 1.30 0.00 -1.34 2.96 -1.26 -0.01 118.68 122.55 1x5p s LEU 43 Ca 0.04 -0.78 0.08 0.00 -0.22 0.00 0.00 54.13 53.24 1x5p s LEU 43 Cb -0.15 -0.66 -0.02 0.00 0.50 0.00 0.00 46.19 45.86 1x5p s LEU 43 CO -0.09 -0.28 -0.24 -0.94 -1.32 0.00 0.00 176.35 173.48 1x5p s SER 44 N 1.81 2.78 -0.05 3.68 1.04 -0.81 -4.98 113.70 117.15 1x5p s SER 44 Ca -0.01 -0.46 0.05 0.00 0.48 0.00 0.00 55.95 56.01 1x5p s SER 44 Cb -0.17 -0.29 -0.01 0.00 0.10 0.00 0.00 66.02 65.66 1x5p s SER 44 CO -0.08 0.27 -0.21 -0.04 0.98 0.00 0.00 173.24 174.16 1x5p s MET 45 N -0.75 2.16 -0.42 4.02 -1.94 -1.26 -0.74 119.30 120.36 1x5p s MET 45 Ca 0.09 -0.74 0.04 0.00 -1.71 0.00 0.00 55.69 53.37 1x5p s MET 45 Cb -0.09 -1.84 0.11 0.00 2.01 0.00 0.00 34.83 35.02 1x5p s MET 45 CO -0.00 0.30 0.14 -0.51 -0.01 0.00 0.00 175.02 174.94 1x5p s ASP 46 N -0.03 4.55 0.28 3.03 1.01 -0.38 -4.98 116.67 120.15 1x5p s ASP 46 Ca -0.04 -2.54 0.02 0.00 0.71 0.00 0.00 52.55 50.70 1x5p s ASP 46 Cb -0.13 -1.62 0.68 0.00 1.01 0.00 0.00 42.92 42.86 1x5p s ASP 46 CO 0.03 -0.31 1.69 -0.65 0.21 0.00 0.00 175.17 176.14 1x5p h PRO 47 N 7.11 0.35 -0.27 8.23 0.11 -1.95 0.05 132.00 145.64 1x5p h PRO 47 Ca -0.06 -0.02 0.05 0.00 0.11 0.00 0.00 66.00 66.08 1x5p h PRO 47 Cb 0.96 -0.08 -0.08 0.00 0.11 0.00 0.00 31.00 31.92 1x5p h PRO 47 CO 0.59 0.23 -0.48 -1.35 -0.21 0.00 0.00 178.00 176.78 1x5p h PRO 48 N 0.36 -0.43 -0.62 1.05 0.11 -1.94 -0.17 132.00 130.35 1x5p h PRO 48 Ca 0.53 0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.67 1x5p h PRO 48 Cb 1.00 0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1x5p h PRO 48 CO -0.54 -0.29 0.00 0.54 -0.21 0.00 0.00 178.00 177.50 1x5p n ARG 49 N -5.42 2.87 -2.49 1.05 5.12 -0.89 -4.89 116.66 112.01 1x5p n ARG 49 Ca -0.03 -1.85 -0.03 0.00 -1.93 0.00 0.00 57.85 54.01 1x5p n ARG 49 Cb 0.36 -1.72 -0.00 0.00 -1.16 0.00 0.00 32.46 29.94 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 0.60 -0.98 -4.08 0.55 3.02 -0.05 -4.79 115.26 109.53 1x5p n ASN 50 Ca 0.17 0.36 -0.23 0.00 -0.03 0.00 0.00 54.58 54.85 1x5p n ASN 50 Cb 0.65 -0.97 -0.03 0.00 -0.61 0.00 0.00 39.78 38.82 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 -2.64 -0.90 -0.22 0.00 0.00 0.14 -1.25 121.76 116.87 1x5p s ALA 52 Ca 0.09 -0.60 -0.03 0.00 0.00 0.00 0.00 51.96 51.41 1x5p s ALA 52 Cb -0.01 0.74 0.11 0.00 0.00 0.00 0.00 23.12 23.95 1x5p s ALA 52 CO 0.05 -1.00 0.26 -0.06 0.00 0.00 0.00 175.76 175.01 1x5p s PHE 53 N -2.87 -0.39 -0.13 0.00 0.40 0.08 -0.33 117.98 114.74 1x5p s PHE 53 Ca 0.14 0.28 -0.04 0.00 -0.60 0.00 0.00 56.93 56.71 1x5p s PHE 53 Cb -0.05 -0.31 -0.03 0.00 0.51 0.00 0.00 43.02 43.13 1x5p s PHE 53 CO 0.10 -0.67 0.00 0.08 0.70 0.00 0.00 175.22 175.44 1x5p s VAL 54 N 2.37 4.29 -0.04 -0.44 1.01 -0.36 -1.93 120.40 125.30 1x5p s VAL 54 Ca 0.08 -0.23 0.03 0.00 0.00 0.00 0.00 61.98 61.86 1x5p s VAL 54 Cb -0.15 -2.87 -0.03 0.00 0.00 0.00 0.00 36.38 33.33 1x5p s VAL 54 CO -0.15 0.53 -0.11 -0.89 0.00 0.00 0.00 175.10 174.47 1x5p s THR 55 N -0.14 3.30 -0.05 3.92 2.01 0.99 -0.21 115.64 125.46 1x5p s THR 55 Ca 0.05 -0.69 0.01 0.00 0.31 0.00 0.00 61.69 61.36 1x5p s THR 55 Cb -0.13 -2.33 -0.03 0.00 0.01 0.00 0.00 72.50 70.02 1x5p s THR 55 CO 0.02 0.55 -0.04 -0.31 -0.69 0.00 0.00 174.62 174.16 1x5p s TYR 56 N -0.80 3.01 0.62 4.92 2.02 -0.53 -2.73 117.35 123.87 1x5p s TYR 56 Ca 0.13 0.07 0.34 0.00 -0.37 0.00 0.00 57.07 57.24 1x5p s TYR 56 Cb -0.11 -1.71 1.96 0.00 -0.40 0.00 0.00 41.96 41.71 1x5p s TYR 56 CO 0.02 0.40 2.23 1.49 -1.57 0.00 0.00 175.55 178.12 1x5p h GLU 57 N 4.92 0.00 -5.55 -0.62 4.81 -1.85 -3.43 114.58 112.86 1x5p h GLU 57 Ca -0.49 0.00 -0.59 0.00 -0.13 0.00 0.00 59.36 58.15 1x5p h GLU 57 Cb 1.18 0.00 -0.13 0.00 0.63 0.00 0.00 28.75 30.43 1x5p h GLU 57 CO 0.54 0.00 -0.61 0.15 -0.73 0.00 0.00 179.01 178.37 1x5p s LYS 58 N -4.44 1.87 -0.13 1.92 1.02 -1.26 -5.07 119.74 113.64 1x5p s LYS 58 Ca -0.05 -2.05 -0.21 0.00 0.02 0.00 0.00 55.97 53.68 1x5p s LYS 58 Cb 0.14 -1.43 -0.26 0.00 -0.52 0.00 0.00 37.83 35.76 1x5p s LYS 58 CO 0.48 -0.08 0.58 0.00 -0.92 0.00 0.00 175.35 175.41 1x5p h MET 59 N 1.87 0.13 -0.97 1.68 -0.00 -1.83 -3.35 114.93 112.47 1x5p h MET 59 Ca -0.43 -0.23 0.31 0.00 -0.00 0.00 0.00 59.70 59.35 1x5p h MET 59 Cb 1.24 0.09 -0.17 0.00 -0.00 0.00 0.00 31.60 32.76 1x5p h MET 59 CO 0.78 1.11 0.33 1.05 -0.00 0.00 0.00 176.91 180.17 1x5p h GLU 60 N -0.65 0.11 -0.18 -0.10 4.11 -1.98 0.40 114.58 116.29 1x5p h GLU 60 Ca -0.22 -0.01 0.02 0.00 0.07 0.00 0.00 59.36 59.22 1x5p h GLU 60 Cb 1.45 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.66 1x5p h GLU 60 CO -0.01 0.07 0.06 0.77 0.07 0.00 0.00 179.01 179.98 1x5p h SER 61 N 0.11 0.07 -0.59 3.06 0.02 -1.89 0.00 113.55 114.34 1x5p h SER 61 Ca 0.68 0.02 0.09 0.00 -0.84 0.00 0.00 61.79 61.74 1x5p h SER 61 Cb 1.57 0.01 -0.11 0.00 0.14 0.00 0.00 62.40 64.02 1x5p h SER 61 CO -0.75 0.07 -0.45 0.00 -1.14 0.00 0.00 176.83 174.56 1x5p h ALA 62 N 1.11 -0.36 -0.34 3.77 0.00 -0.33 0.31 119.26 123.42 1x5p h ALA 62 Ca 0.08 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 1x5p h ALA 62 Cb 0.05 0.99 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1x5p h ALA 62 CO -0.08 -0.85 0.06 0.38 0.00 0.00 0.00 179.25 178.76 1x5p h ASP 63 N -0.23 0.53 0.12 0.00 3.04 -1.38 -2.60 116.42 115.91 1x5p h ASP 63 Ca 0.17 -0.26 0.00 0.00 -3.24 0.00 0.00 57.03 53.71 1x5p h ASP 63 Cb 0.56 -0.14 -0.02 0.00 -1.04 0.00 0.00 39.33 38.69 1x5p h ASP 63 CO -0.70 0.65 -0.24 1.56 -2.04 0.00 0.00 179.24 178.48 1x5p h GLN 64 N 0.39 -0.38 -0.23 4.15 4.20 0.33 -0.73 115.11 122.84 1x5p h GLN 64 Ca 0.10 0.03 0.03 0.00 0.06 0.00 0.00 58.65 58.87 1x5p h GLN 64 Cb 0.35 0.09 -0.06 0.00 0.30 0.00 0.00 27.48 28.16 1x5p h GLN 64 CO 0.01 -0.25 -0.43 0.00 -0.67 0.00 0.00 178.83 177.49 1x5p h ALA 65 N -1.20 -0.72 0.00 3.87 0.00 -0.51 0.59 119.26 121.29 1x5p h ALA 65 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1x5p h ALA 65 Cb 0.37 0.99 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1x5p h ALA 65 CO -0.09 -0.91 0.44 0.28 0.00 0.00 0.00 179.25 178.97 1x5p h VAL 66 N -0.36 0.00 0.08 0.00 2.07 -1.39 1.18 116.25 117.83 1x5p h VAL 66 Ca 0.04 0.00 -0.32 0.00 0.82 0.00 0.00 66.70 67.25 1x5p h VAL 66 Cb 0.49 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 1x5p h VAL 66 CO -0.41 0.00 -1.69 0.00 0.02 0.00 0.00 177.57 175.48 1x5p h ALA 67 N 1.04 0.46 0.00 1.67 0.00 0.17 -3.28 119.26 119.32 1x5p h ALA 67 Ca 0.00 -1.28 -0.07 0.00 0.00 0.00 0.00 54.91 53.55 1x5p h ALA 67 Cb 0.89 0.44 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 1x5p h ALA 67 CO 0.00 1.32 -1.15 0.39 0.00 0.00 0.00 179.25 179.81 1x5p n GLU 68 N -3.34 0.53 0.08 0.00 1.02 0.19 -4.40 120.64 114.70 1x5p n GLU 68 Ca -0.20 0.28 0.20 0.00 -0.02 0.00 0.00 57.16 57.42 1x5p n GLU 68 Cb 1.04 -1.49 0.75 0.00 -0.02 0.00 0.00 31.44 31.72 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 0.00 -9.04 -4.62 3.38 0.85 -3.36 115.31 101.52 1x5p h LEU 69 Ca -0.11 0.00 -0.66 0.00 0.09 0.00 0.00 57.88 57.20 1x5p h LEU 69 Cb 1.02 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.78 1x5p h LEU 69 CO -0.07 0.00 1.15 -3.20 0.09 0.00 0.00 178.44 176.41 1x5p n ASN 70 N -3.83 2.82 -1.70 -0.43 2.85 -1.22 -0.19 115.26 113.56 1x5p n ASN 70 Ca 0.08 0.82 -0.17 0.00 -0.11 0.00 0.00 54.58 55.19 1x5p n ASN 70 Cb 0.61 -1.29 -0.06 0.00 1.24 0.00 0.00 39.78 40.28 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 4.97 1.20 3.85 8.20 0.00 -0.97 -4.94 105.19 117.51 1x5p n GLY 71 Ca 0.29 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.57 4.60 -0.46 2.61 -1.32 0.73 -4.84 115.64 114.40 1x5p s THR 72 Ca 0.00 1.06 0.01 0.00 -1.21 0.00 0.00 61.69 61.55 1x5p s THR 72 Cb 0.00 -3.74 0.12 0.00 -1.51 0.00 0.00 72.50 67.37 1x5p s THR 72 CO 0.00 -0.71 0.22 -1.58 -2.21 0.00 0.00 174.62 170.34 1x5p s GLN 73 N -4.17 1.96 -0.01 7.08 0.74 -1.26 -0.33 119.66 123.67 1x5p s GLN 73 Ca 0.57 -2.20 0.05 0.00 0.05 0.00 0.00 55.36 53.83 1x5p s GLN 73 Cb -0.10 -3.43 -0.03 0.00 1.10 0.00 0.00 33.01 30.55 1x5p s GLN 73 CO 0.34 -1.06 -0.14 0.14 -0.55 0.00 0.00 175.29 174.01 1x5p s VAL 74 N 0.44 3.06 -1.40 1.34 -7.23 -0.55 -4.60 120.40 111.46 1x5p s VAL 74 Ca 0.13 -0.88 -0.06 0.00 -1.81 0.00 0.00 61.98 59.36 1x5p s VAL 74 Cb -0.22 -2.25 0.04 0.00 0.56 0.00 0.00 36.38 34.51 1x5p s VAL 74 CO -0.04 0.48 0.49 -0.62 -0.31 0.00 0.00 175.10 175.10 1x5p n GLU 75 N 1.96 -3.92 -2.33 4.82 -0.58 -1.26 -0.26 120.64 119.07 1x5p n GLU 75 Ca -0.17 0.69 -0.17 0.00 -0.42 0.00 0.00 57.16 57.09 1x5p n GLU 75 Cb 0.52 -5.45 -0.01 0.00 -0.57 0.00 0.00 31.44 25.93 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 -2.35 -5.07 -3.73 1.62 7.64 -1.26 -4.99 113.62 105.48 1x5p n SER 76 Ca -0.07 -0.02 -0.21 0.00 1.01 0.00 0.00 58.87 59.59 1x5p n SER 76 Cb 0.59 -4.16 -0.18 0.00 -1.01 0.00 0.00 64.21 59.45 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 -2.86 0.11 -0.62 0.44 1.01 0.64 -5.08 120.40 114.04 1x5p s VAL 77 Ca 0.00 0.26 -0.27 0.00 0.00 0.00 0.00 61.98 61.97 1x5p s VAL 77 Cb 0.00 -0.31 0.01 0.00 0.00 0.00 0.00 36.38 36.08 1x5p s VAL 77 CO 0.00 0.20 1.46 -1.10 0.00 0.00 0.00 175.10 175.67 1x5p s GLN 78 N 1.91 3.14 0.05 2.72 -0.21 -1.26 -1.49 119.66 124.52 1x5p s GLN 78 Ca 0.03 0.29 -0.14 0.00 0.02 0.00 0.00 55.36 55.55 1x5p s GLN 78 Cb -0.12 -4.19 -0.06 0.00 1.00 0.00 0.00 33.01 29.63 1x5p s GLN 78 CO -0.04 -2.15 0.45 -0.51 -2.12 0.00 0.00 175.29 170.92 1x5p s LEU 79 N 6.55 4.44 -0.23 2.90 1.43 0.56 -4.75 118.68 129.58 1x5p s LEU 79 Ca 0.50 0.99 0.02 0.00 -1.03 0.00 0.00 54.13 54.61 1x5p s LEU 79 Cb -0.10 -2.81 0.05 0.00 0.03 0.00 0.00 46.19 43.35 1x5p s LEU 79 CO 0.21 0.25 -0.10 -0.75 0.23 0.00 0.00 176.35 176.20 1x5p s LYS 80 N -1.39 2.07 0.02 1.70 2.20 -0.76 -2.28 119.74 121.30 1x5p s LYS 80 Ca 0.28 -1.07 0.03 0.00 -0.36 0.00 0.00 55.97 54.85 1x5p s LYS 80 Cb -0.16 -2.65 -0.04 0.00 -1.51 0.00 0.00 37.83 33.47 1x5p s LYS 80 CO 0.16 -0.51 -0.04 0.08 -0.36 0.00 0.00 175.35 174.67 1x5p s VAL 81 N 1.28 3.81 0.01 4.02 1.01 -1.26 0.28 120.40 129.54 1x5p s VAL 81 Ca -0.05 -0.78 -0.12 0.00 0.00 0.00 0.00 61.98 61.04 1x5p s VAL 81 Cb -0.18 -2.69 0.01 0.00 0.00 0.00 0.00 36.38 33.52 1x5p s VAL 81 CO -0.07 0.34 0.24 0.54 0.00 0.00 0.00 175.10 176.16 1x5p s ASN 82 N -1.59 -0.09 -0.80 3.32 4.22 0.14 -4.56 114.94 115.58 1x5p s ASN 82 Ca 0.19 -0.10 -0.25 0.00 -2.14 0.00 0.00 52.86 50.55 1x5p s ASN 82 Cb -0.11 0.28 -0.01 0.00 1.28 0.00 0.00 41.25 42.69 1x5p s ASN 82 CO 0.10 -0.47 1.76 -0.63 -2.04 0.00 0.00 177.10 175.82 1x5p s ILE 83 N -1.70 3.52 -0.36 0.54 -1.09 -1.26 -0.91 121.20 119.93 1x5p s ILE 83 Ca -0.11 -0.13 -0.45 0.00 -2.23 0.00 0.00 60.65 57.72 1x5p s ILE 83 Cb -0.05 -4.25 -0.20 0.00 -1.58 0.00 0.00 42.46 36.38 1x5p s ILE 83 CO 0.01 -1.19 1.47 0.00 -1.23 0.00 0.00 174.94 174.00 1x5p n ALA 84 N 12.24 -1.91 -0.05 9.38 0.00 -1.26 -4.84 120.51 134.06 1x5p n ALA 84 Ca 0.28 0.52 -0.12 0.00 0.00 0.00 0.00 53.44 54.12 1x5p n ALA 84 Cb 0.50 -1.89 -0.06 0.00 0.00 0.00 0.00 19.45 18.00 1x5p n ALA 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x5p h ARG 85 N 4.55 0.29 -5.44 0.00 3.08 -1.97 -3.38 114.38 111.50 1x5p h ARG 85 Ca -0.46 -0.09 -0.63 0.00 0.07 0.00 0.00 59.98 58.87 1x5p h ARG 85 Cb 1.38 -0.03 -0.14 0.00 0.08 0.00 0.00 29.97 31.26 1x5p h ARG 85 CO 0.89 0.49 0.58 -1.59 -1.07 0.00 0.00 179.97 179.27 1x5p s LYS 86 N -5.04 3.14 -0.58 0.04 -2.85 -1.26 -4.94 119.74 108.25 1x5p s LYS 86 Ca -0.14 -0.88 0.05 0.00 -1.00 0.00 0.00 55.97 54.00 1x5p s LYS 86 Cb 0.06 -4.28 0.19 0.00 -2.06 0.00 0.00 37.83 31.74 1x5p s LYS 86 CO 0.72 -1.83 0.50 1.04 0.10 0.00 0.00 175.35 175.89 1x5p n GLN 87 N 7.68 1.40 -0.64 1.78 6.02 -1.26 -5.11 117.38 127.25 1x5p n GLN 87 Ca -0.02 -4.04 -0.19 0.00 -0.01 0.00 0.00 57.00 52.75 1x5p n GLN 87 Cb 0.46 -2.00 0.16 0.00 1.02 0.00 0.00 30.24 29.87 1x5p n GLN 87 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 1x5p n PRO 88 N 1.93 -2.36 -3.96 -1.09 -0.04 -1.26 -4.09 135.00 124.13 1x5p n PRO 88 Ca 0.25 -1.09 -0.32 0.00 -0.04 0.00 0.00 63.50 62.30 1x5p n PRO 88 Cb 0.41 -1.02 -0.02 0.00 -0.04 0.00 0.00 33.50 32.83 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 -3.59 -3.21 0.05 0.54 2.81 -1.26 -4.79 117.12 107.66 1x5p n MET 89 Ca 0.09 0.38 -0.00 0.00 -1.81 0.00 0.00 57.70 56.37 1x5p n MET 89 Cb 0.37 -5.11 -0.00 0.00 -0.71 0.00 0.00 33.22 27.77 1x5p n MET 89 CO 0.00 0.00 0.00 -0.11 1.51 0.00 0.00 175.97 177.37 1x5p n LEU 90 N -4.16 1.08 -0.32 4.03 0.00 -1.26 -4.76 117.00 111.62 1x5p n LEU 90 Ca 0.06 0.14 0.16 0.00 0.00 0.00 0.00 56.01 56.36 1x5p n LEU 90 Cb 0.50 -0.33 0.31 0.00 0.00 0.00 0.00 43.42 43.90 1x5p n LEU 90 CO 0.75 -0.72 0.77 -0.90 0.00 0.00 0.00 177.39 177.29 1x5p n ASP 91 N -3.49 -0.05 -4.17 1.96 5.68 -1.26 -4.43 116.55 110.80 1x5p n ASP 91 Ca -0.00 1.56 -0.58 0.00 -0.50 0.00 0.00 54.79 55.27 1x5p n ASP 91 Cb 0.03 -0.60 -0.12 0.00 -1.14 0.00 0.00 41.12 39.29 1x5p n ASP 91 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1x5p n SER 92 N -5.32 0.72 -3.07 -1.12 3.41 -1.26 -4.85 113.62 102.12 1x5p n SER 92 Ca 0.24 0.65 -0.09 0.00 -0.26 0.00 0.00 58.87 59.40 1x5p n SER 92 Cb 0.78 -0.88 -0.03 0.00 -0.26 0.00 0.00 64.21 63.82 1x5p n SER 92 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1x5p s GLY 93 N 5.98 -0.60 0.27 5.00 0.00 -1.26 -5.00 107.32 111.72 1x5p s GLY 93 Ca 1.18 -0.76 0.05 0.00 0.00 0.00 0.00 44.72 45.18 1x5p s GLY 93 CO 0.64 3.22 1.65 -0.56 0.00 0.00 0.00 173.10 178.05 1x5p h PRO 94 N 5.88 0.29 -5.75 2.90 0.13 -1.99 -3.43 132.00 130.04 1x5p h PRO 94 Ca 0.09 -0.15 -0.67 0.00 -0.87 0.00 0.00 66.00 64.40 1x5p h PRO 94 Cb 1.08 0.01 -0.25 0.00 0.13 0.00 0.00 31.00 31.96 1x5p h PRO 94 CO 0.13 0.70 -0.76 0.45 -0.23 0.00 0.00 178.00 178.28 1x5p s SER 95 N -6.88 4.07 -0.20 1.44 0.15 -1.26 -5.10 113.70 105.92 1x5p s SER 95 Ca -0.05 -0.25 -0.29 0.00 0.70 0.00 0.00 55.95 56.05 1x5p s SER 95 Cb 0.13 -1.30 0.14 0.00 -1.71 0.00 0.00 66.02 63.28 1x5p s SER 95 CO 0.79 0.24 1.09 -0.94 1.20 0.00 0.00 173.24 175.63 1x5p s SER 96 N -0.12 -0.29 0.00 5.45 1.04 -1.26 -5.22 113.70 113.29 1x5p s SER 96 Ca -0.01 0.34 0.00 0.00 0.48 0.00 0.00 55.95 56.76 1x5p s SER 96 Cb -0.14 0.27 0.00 0.00 0.10 0.00 0.00 66.02 66.26 1x5p s SER 96 CO 0.03 -0.25 0.43 0.61 0.98 0.00 0.00 173.24 175.05