#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5p n SER 2 N 0.00 1.34 0.11 1.61 3.41 -1.26 -4.83 113.62 114.01 1x5p n SER 2 Ca 0.00 1.00 -0.13 0.00 -0.26 0.00 0.00 58.87 59.48 1x5p n SER 2 Cb 0.00 -0.95 -0.06 0.00 -0.26 0.00 0.00 64.21 62.94 1x5p n SER 2 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1x5p h SER 3 N 6.81 -0.64 -1.25 4.04 0.02 -2.07 -3.46 113.55 117.00 1x5p h SER 3 Ca -0.35 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 1x5p h SER 3 Cb 1.37 0.24 0.00 0.00 0.14 0.00 0.00 62.40 64.15 1x5p h SER 3 CO 1.01 -0.32 0.00 0.61 -1.14 0.00 0.00 176.83 176.99 1x5p n GLY 4 N -1.35 4.93 3.76 -3.77 0.00 -1.26 -5.13 105.19 102.37 1x5p n GLY 4 Ca -0.07 -1.68 -0.39 0.00 0.00 0.00 0.00 46.02 43.88 1x5p n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x5p s SER 5 N -0.01 5.59 -0.97 1.61 0.15 -1.26 -4.89 113.70 113.91 1x5p s SER 5 Ca 0.00 2.85 -0.24 0.00 0.70 0.00 0.00 55.95 59.26 1x5p s SER 5 Cb 0.00 -2.65 0.04 0.00 -1.71 0.00 0.00 66.02 61.70 1x5p s SER 5 CO 0.00 -1.36 1.49 -0.44 1.20 0.00 0.00 173.24 174.13 1x5p s SER 6 N -0.72 6.30 0.00 5.45 0.01 -1.26 -4.82 113.70 118.67 1x5p s SER 6 Ca 0.66 -1.25 0.00 0.00 1.31 0.00 0.00 55.95 56.67 1x5p s SER 6 Cb -0.42 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.24 1x5p s SER 6 CO 0.52 -1.69 0.00 0.61 0.41 0.00 0.00 173.24 173.09 1x5p n GLY 7 N 6.73 -0.83 3.53 3.44 0.00 -1.26 -5.03 105.19 111.76 1x5p n GLY 7 Ca 0.31 -1.92 -0.25 0.00 0.00 0.00 0.00 46.02 44.16 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 0.00 1.82 -0.71 1.61 0.41 -1.26 -5.08 118.70 115.49 1x5p s GLU 8 Ca 0.00 -2.06 -0.27 0.00 -0.41 0.00 0.00 54.97 52.23 1x5p s GLU 8 Cb 0.00 -1.01 0.02 0.00 -1.78 0.00 0.00 34.13 31.37 1x5p s GLU 8 CO 0.00 -0.25 1.36 1.03 -0.49 0.00 0.00 175.26 176.91 1x5p s ARG 9 N -3.82 3.13 0.47 1.61 1.81 -1.26 -4.98 118.95 115.91 1x5p s ARG 9 Ca 0.30 -0.08 -0.24 0.00 -1.72 0.00 0.00 55.73 53.99 1x5p s ARG 9 Cb 0.07 -4.20 -0.08 0.00 -0.45 0.00 0.00 34.95 30.29 1x5p s ARG 9 CO 0.14 -2.20 1.27 2.89 -0.68 0.00 0.00 175.30 176.73 1x5p n ARG 10 N 9.28 1.80 -3.55 3.54 0.00 -1.26 -5.02 116.66 121.46 1x5p n ARG 10 Ca 0.06 0.65 -0.16 0.00 -0.00 0.00 0.00 57.85 58.40 1x5p n ARG 10 Cb 0.49 -2.42 -0.06 0.00 -0.00 0.00 0.00 32.46 30.47 1x5p n ARG 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1x5p s ALA 11 N -1.25 -1.80 1.20 2.89 0.00 -1.26 -5.18 121.76 116.36 1x5p s ALA 11 Ca 0.65 1.48 -0.17 0.00 0.00 0.00 0.00 51.96 53.92 1x5p s ALA 11 Cb -0.47 -0.32 0.25 0.00 0.00 0.00 0.00 23.12 22.58 1x5p s ALA 11 CO 0.55 -0.35 0.88 -0.35 0.00 0.00 0.00 175.76 176.49 1x5p n PRO 12 N 1.17 -2.74 -3.73 0.00 -0.04 -1.26 -5.07 135.00 123.33 1x5p n PRO 12 Ca -0.17 -1.41 -0.27 0.00 -0.04 0.00 0.00 63.50 61.62 1x5p n PRO 12 Cb 0.57 -1.32 -0.17 0.00 -0.04 0.00 0.00 33.50 32.54 1x5p n PRO 12 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 1x5p s ARG 13 N -5.00 0.58 -0.27 0.54 1.70 -1.26 -5.02 118.95 110.22 1x5p s ARG 13 Ca 0.57 -0.32 -0.26 0.00 -0.47 0.00 0.00 55.73 55.26 1x5p s ARG 13 Cb -0.06 -1.94 0.14 0.00 -0.57 0.00 0.00 34.95 32.53 1x5p s ARG 13 CO 0.44 -0.60 1.16 -1.59 -1.08 0.00 0.00 175.30 173.62 1x5p s LYS 14 N 1.90 0.37 0.00 3.89 -2.85 -1.26 -4.98 119.74 116.81 1x5p s LYS 14 Ca 0.00 0.38 0.00 0.00 -1.00 0.00 0.00 55.97 55.35 1x5p s LYS 14 Cb -0.16 0.18 0.00 0.00 -2.06 0.00 0.00 37.83 35.79 1x5p s LYS 14 CO -0.08 -0.06 0.00 0.41 0.10 0.00 0.00 175.35 175.73 1x5p n GLY 15 N 1.81 4.39 0.51 0.59 0.00 -1.26 -4.87 105.19 106.35 1x5p n GLY 15 Ca -0.11 -1.43 -0.13 0.00 0.00 0.00 0.00 46.02 44.34 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 0.00 1.27 -4.87 1.61 6.94 -1.26 -4.23 115.26 114.71 1x5p n ASN 16 Ca 0.00 0.13 -0.30 0.00 -0.02 0.00 0.00 54.58 54.38 1x5p n ASN 16 Cb 0.00 -0.36 -0.02 0.00 -2.36 0.00 0.00 39.78 37.04 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 -2.24 4.76 -0.03 5.53 2.01 -1.26 -1.93 115.64 122.47 1x5p s THR 17 Ca -0.18 0.67 0.01 0.00 0.31 0.00 0.00 61.69 62.49 1x5p s THR 17 Cb 0.07 -3.77 0.03 0.00 0.01 0.00 0.00 72.50 68.84 1x5p s THR 17 CO 0.24 -0.66 -0.01 -0.76 -0.69 0.00 0.00 174.62 172.73 1x5p s LEU 18 N -4.16 1.23 -0.46 4.42 1.43 -0.61 -3.87 118.68 116.66 1x5p s LEU 18 Ca 0.52 -0.06 -0.26 0.00 -1.03 0.00 0.00 54.13 53.31 1x5p s LEU 18 Cb -0.10 -0.28 0.03 0.00 0.03 0.00 0.00 46.19 45.86 1x5p s LEU 18 CO 0.36 -0.08 0.94 -0.47 0.23 0.00 0.00 176.35 177.32 1x5p s TYR 19 N 0.97 2.92 0.01 0.29 5.04 0.16 -2.50 117.35 124.23 1x5p s TYR 19 Ca -0.11 0.41 0.02 0.00 -2.44 0.00 0.00 57.07 54.96 1x5p s TYR 19 Cb -0.14 -3.98 -0.04 0.00 0.35 0.00 0.00 41.96 38.15 1x5p s TYR 19 CO -0.01 -1.10 -0.03 0.08 -1.34 0.00 0.00 175.55 173.15 1x5p s VAL 20 N 3.78 3.95 -0.03 3.14 1.01 0.67 0.17 120.40 133.10 1x5p s VAL 20 Ca 0.38 -0.69 0.01 0.00 0.00 0.00 0.00 61.98 61.67 1x5p s VAL 20 Cb -0.10 -2.75 0.02 0.00 0.00 0.00 0.00 36.38 33.55 1x5p s VAL 20 CO 0.26 0.37 -0.02 -0.47 0.00 0.00 0.00 175.10 175.24 1x5p s TYR 21 N -1.06 0.43 0.04 5.22 6.14 0.72 0.10 117.35 128.94 1x5p s TYR 21 Ca 0.19 -0.06 0.01 0.00 0.64 0.00 0.00 57.07 57.84 1x5p s TYR 21 Cb -0.11 -0.45 -0.00 0.00 0.42 0.00 0.00 41.96 41.81 1x5p s TYR 21 CO 0.10 -0.13 0.04 0.41 0.64 0.00 0.00 175.55 176.61 1x5p n GLY 22 N 3.96 3.62 1.45 8.97 0.00 -0.77 -1.21 105.19 121.21 1x5p n GLY 22 Ca -0.25 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.17 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 -0.07 0.00 -2.08 1.61 1.02 -1.26 -4.73 120.64 115.13 1x5p n GLU 23 Ca 0.01 0.00 -0.24 0.00 -0.02 0.00 0.00 57.16 56.91 1x5p n GLU 23 Cb 0.07 -0.26 0.02 0.00 -0.02 0.00 0.00 31.44 31.25 1x5p n GLU 23 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1x5p n ASP 24 N -2.67 4.81 -4.65 1.62 9.92 -1.26 -5.04 116.55 119.28 1x5p n ASP 24 Ca 0.00 -3.70 -0.30 0.00 -0.53 0.00 0.00 54.79 50.26 1x5p n ASP 24 Cb 0.22 -0.35 -0.09 0.00 -0.64 0.00 0.00 41.12 40.26 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 -3.60 2.46 0.20 -1.24 0.23 -1.26 -4.95 119.30 111.14 1x5p s MET 25 Ca 0.50 -0.85 0.11 0.00 -1.03 0.00 0.00 55.69 54.42 1x5p s MET 25 Cb 0.41 -2.49 -0.04 0.00 -1.53 0.00 0.00 34.83 31.17 1x5p s MET 25 CO 0.02 0.55 -0.22 0.95 -2.03 0.00 0.00 175.02 174.29 1x5p s THR 26 N -1.23 2.44 0.15 3.16 -4.23 -1.26 -5.04 115.64 109.63 1x5p s THR 26 Ca 0.23 -2.05 -0.27 0.00 -1.18 0.00 0.00 61.69 58.42 1x5p s THR 26 Cb -0.11 -2.19 -0.00 0.00 1.34 0.00 0.00 72.50 71.54 1x5p s THR 26 CO 0.15 -0.15 1.58 -0.65 -0.54 0.00 0.00 174.62 175.01 1x5p h PRO 27 N 3.05 -0.33 -0.71 3.99 0.11 -1.99 0.15 132.00 136.26 1x5p h PRO 27 Ca -0.46 0.02 0.21 0.00 0.11 0.00 0.00 66.00 65.88 1x5p h PRO 27 Cb 1.21 0.08 -0.03 0.00 0.11 0.00 0.00 31.00 32.37 1x5p h PRO 27 CO 0.50 -0.22 0.53 1.15 -0.21 0.00 0.00 178.00 179.75 1x5p h THR 28 N -0.35 0.60 0.04 -1.15 2.02 -2.00 -0.97 112.91 111.10 1x5p h THR 28 Ca 0.13 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.31 1x5p h THR 28 Cb 0.58 0.63 0.00 0.00 -1.74 0.00 0.00 68.15 67.62 1x5p h THR 28 CO -0.53 0.00 -0.02 0.25 0.37 0.00 0.00 175.52 175.59 1x5p h LEU 29 N 0.00 -0.05 -2.06 2.58 6.46 -1.14 -3.06 115.31 118.04 1x5p h LEU 29 Ca 0.34 -0.42 0.02 0.00 -0.12 0.00 0.00 57.88 57.70 1x5p h LEU 29 Cb 1.39 0.01 -0.00 0.00 -0.73 0.00 0.00 40.66 41.33 1x5p h LEU 29 CO -0.00 0.40 0.05 -0.07 -0.62 0.00 0.00 178.44 178.19 1x5p h LEU 30 N -0.51 0.00 -0.34 2.25 3.38 -0.63 -1.49 115.31 117.97 1x5p h LEU 30 Ca -0.01 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.00 1x5p h LEU 30 Cb 0.46 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.18 1x5p h LEU 30 CO 0.01 0.00 0.13 0.03 0.09 0.00 0.00 178.44 178.70 1x5p h ARG 31 N 0.00 0.27 -0.00 1.13 3.08 -1.27 0.35 114.38 117.94 1x5p h ARG 31 Ca 0.03 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1x5p h ARG 31 Cb 0.12 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.11 1x5p h ARG 31 CO -0.00 0.18 -0.26 0.41 -1.07 0.00 0.00 179.97 179.22 1x5p n GLY 32 N -1.21 -1.01 0.11 0.04 0.00 -0.87 -1.99 105.19 100.27 1x5p n GLY 32 Ca 0.01 -0.31 -0.14 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 -1.10 1.29 0.03 4.61 0.00 -0.62 -4.28 120.51 120.44 1x5p n ALA 33 Ca 0.10 -0.81 0.11 0.00 0.00 0.00 0.00 53.44 52.84 1x5p n ALA 33 Cb 0.32 -0.65 -0.11 0.00 0.00 0.00 0.00 19.45 19.01 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 -3.17 0.33 -0.14 0.00 3.01 0.12 -4.32 117.46 113.28 1x5p n PHE 34 Ca -0.26 0.10 -0.07 0.00 1.01 0.00 0.00 57.45 58.23 1x5p n PHE 34 Cb 1.06 -0.66 0.02 0.00 -0.01 0.00 0.00 39.48 39.89 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 0.42 -1.14 4.37 0.87 -1.55 -2.22 113.55 114.29 1x5p h SER 35 Ca -0.00 0.00 0.32 0.00 -1.23 0.00 0.00 61.79 60.88 1x5p h SER 35 Cb 1.00 -0.08 -0.07 0.00 -0.44 0.00 0.00 62.40 62.81 1x5p h SER 35 CO 0.00 0.30 0.79 -0.65 -0.53 0.00 0.00 176.83 176.73 1x5p h PRO 36 N 0.52 0.15 0.18 2.24 0.11 -1.75 0.19 132.00 133.64 1x5p h PRO 36 Ca 0.18 -0.01 -0.31 0.00 0.11 0.00 0.00 66.00 65.97 1x5p h PRO 36 Cb 0.01 -0.03 0.03 0.00 0.11 0.00 0.00 31.00 31.12 1x5p h PRO 36 CO -0.08 0.10 -1.35 0.74 -0.21 0.00 0.00 178.00 177.20 1x5p h PHE 37 N 0.15 0.87 -0.03 0.65 -1.00 -1.66 -3.50 116.94 112.43 1x5p h PHE 37 Ca 0.59 -0.61 0.00 0.00 2.81 0.00 0.00 57.97 60.76 1x5p h PHE 37 Cb 2.00 -0.05 0.00 0.00 3.61 0.00 0.00 35.95 41.51 1x5p h PHE 37 CO -0.00 1.46 0.00 0.41 -1.61 0.00 0.00 178.31 178.57 1x5p n GLY 38 N 1.55 1.65 3.62 -1.45 0.00 0.66 -4.89 105.19 106.34 1x5p n GLY 38 Ca -0.14 -0.34 -0.34 0.00 0.00 0.00 0.00 46.02 45.20 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 5.58 -0.36 1.61 2.47 -1.26 -4.21 114.94 120.76 1x5p s ASN 39 Ca 0.00 0.07 -0.20 0.00 0.42 0.00 0.00 52.86 53.14 1x5p s ASN 39 Cb 0.00 -1.95 0.00 0.00 -1.45 0.00 0.00 41.25 37.85 1x5p s ASN 39 CO 0.00 0.17 0.63 -0.63 -3.72 0.00 0.00 177.10 173.55 1x5p s ILE 40 N 0.39 4.88 -0.07 -5.21 1.01 -1.26 -1.89 121.20 119.05 1x5p s ILE 40 Ca 0.03 0.53 0.20 0.00 0.00 0.00 0.00 60.65 61.41 1x5p s ILE 40 Cb -0.12 -4.09 -0.30 0.00 0.01 0.00 0.00 42.46 37.96 1x5p s ILE 40 CO 0.00 -0.34 0.36 2.30 0.00 0.00 0.00 174.94 177.26 1x5p n ILE 41 N 5.61 0.32 -3.51 2.92 -5.35 -0.87 -4.87 119.36 113.62 1x5p n ILE 41 Ca -0.01 -0.56 -0.22 0.00 -0.27 0.00 0.00 62.75 61.69 1x5p n ILE 41 Cb 0.48 -0.10 -0.13 0.00 -1.74 0.00 0.00 39.64 38.15 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 -4.62 2.02 -0.20 7.28 2.15 -1.25 -4.99 116.67 117.06 1x5p s ASP 42 Ca -0.08 -0.59 -0.01 0.00 0.43 0.00 0.00 52.55 52.30 1x5p s ASP 42 Cb 0.11 0.15 0.05 0.00 -0.30 0.00 0.00 42.92 42.94 1x5p s ASP 42 CO 0.84 -0.36 -0.02 -0.22 -0.17 0.00 0.00 175.17 175.24 1x5p s LEU 43 N 2.25 1.74 0.04 -1.34 2.96 -1.24 0.30 118.68 123.39 1x5p s LEU 43 Ca 0.07 -0.88 0.06 0.00 -0.22 0.00 0.00 54.13 53.16 1x5p s LEU 43 Cb -0.15 -0.86 -0.02 0.00 0.50 0.00 0.00 46.19 45.65 1x5p s LEU 43 CO -0.20 -0.25 -0.18 -0.44 -1.32 0.00 0.00 176.35 173.96 1x5p s SER 44 N 1.65 2.19 0.00 3.68 0.01 -0.87 -4.96 113.70 115.41 1x5p s SER 44 Ca -0.02 -0.49 0.08 0.00 1.31 0.00 0.00 55.95 56.83 1x5p s SER 44 Cb -0.17 -0.17 -0.02 0.00 0.21 0.00 0.00 66.02 65.86 1x5p s SER 44 CO -0.07 0.12 -0.25 -0.04 0.41 0.00 0.00 173.24 173.41 1x5p s MET 45 N -1.12 1.89 -0.39 12.44 -1.94 -1.26 -0.26 119.30 128.64 1x5p s MET 45 Ca 0.06 -0.94 0.02 0.00 -1.71 0.00 0.00 55.69 53.12 1x5p s MET 45 Cb -0.08 -1.90 0.11 0.00 2.01 0.00 0.00 34.83 34.97 1x5p s MET 45 CO 0.01 0.51 0.15 -0.51 -0.01 0.00 0.00 175.02 175.17 1x5p s ASP 46 N -0.80 4.24 0.28 3.03 1.01 -0.07 -4.99 116.67 119.37 1x5p s ASP 46 Ca 0.10 -2.32 0.02 0.00 0.71 0.00 0.00 52.55 51.06 1x5p s ASP 46 Cb -0.10 -1.31 0.68 0.00 1.01 0.00 0.00 42.92 43.20 1x5p s ASP 46 CO 0.00 -0.33 1.69 -0.65 0.21 0.00 0.00 175.17 176.09 1x5p h PRO 47 N 7.29 0.35 -0.11 8.23 0.11 -1.95 0.70 132.00 146.62 1x5p h PRO 47 Ca -0.06 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 66.04 1x5p h PRO 47 Cb 0.97 -0.08 -0.04 0.00 0.11 0.00 0.00 31.00 31.96 1x5p h PRO 47 CO 0.54 0.23 -0.31 -1.35 -0.21 0.00 0.00 178.00 176.90 1x5p h PRO 48 N 0.36 -0.29 -0.05 1.05 0.11 -1.96 -1.74 132.00 129.48 1x5p h PRO 48 Ca 0.53 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.66 1x5p h PRO 48 Cb 1.00 0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1x5p h PRO 48 CO -0.54 -0.20 0.00 0.54 -0.21 0.00 0.00 178.00 177.60 1x5p n ARG 49 N -4.19 1.54 -3.84 1.05 5.12 -1.02 -4.94 116.66 110.38 1x5p n ARG 49 Ca -0.03 -0.79 -0.25 0.00 -1.93 0.00 0.00 57.85 54.86 1x5p n ARG 49 Cb 0.21 -1.45 0.00 0.00 -1.16 0.00 0.00 32.46 30.06 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 -0.03 -1.11 -4.32 0.55 4.13 0.24 -4.88 115.26 109.84 1x5p n ASN 50 Ca 0.19 -0.95 -0.25 0.00 1.68 0.00 0.00 54.58 55.26 1x5p n ASN 50 Cb 0.29 -3.43 -0.09 0.00 -1.54 0.00 0.00 39.78 35.02 1x5p n ASN 50 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1x5p s ALA 52 N -3.21 -1.05 -0.43 0.00 0.00 0.12 -0.89 121.76 116.29 1x5p s ALA 52 Ca 0.27 1.34 -0.08 0.00 0.00 0.00 0.00 51.96 53.49 1x5p s ALA 52 Cb 0.05 -0.79 0.10 0.00 0.00 0.00 0.00 23.12 22.47 1x5p s ALA 52 CO 0.14 -0.23 0.27 -0.06 0.00 0.00 0.00 175.76 175.88 1x5p s PHE 53 N 0.70 3.40 -0.25 0.00 0.08 0.63 -0.24 117.98 122.31 1x5p s PHE 53 Ca -0.04 -1.78 -0.09 0.00 0.12 0.00 0.00 56.93 55.14 1x5p s PHE 53 Cb -0.05 -3.14 -0.04 0.00 -0.57 0.00 0.00 43.02 39.22 1x5p s PHE 53 CO -0.05 -0.91 0.11 0.08 -0.10 0.00 0.00 175.22 174.35 1x5p s VAL 54 N 1.36 4.75 -0.12 -0.44 1.01 -1.04 -2.05 120.40 123.87 1x5p s VAL 54 Ca 0.04 -0.03 -0.04 0.00 0.00 0.00 0.00 61.98 61.96 1x5p s VAL 54 Cb -0.24 -3.22 -0.04 0.00 0.00 0.00 0.00 36.38 32.88 1x5p s VAL 54 CO 0.00 0.33 0.03 -0.89 0.00 0.00 0.00 175.10 174.58 1x5p s THR 55 N 1.43 4.57 -0.03 3.92 2.01 0.15 -1.57 115.64 126.12 1x5p s THR 55 Ca 0.06 -0.14 -0.02 0.00 0.31 0.00 0.00 61.69 61.90 1x5p s THR 55 Cb -0.15 -2.97 -0.04 0.00 0.01 0.00 0.00 72.50 69.35 1x5p s THR 55 CO 0.05 0.57 0.10 -0.31 -0.69 0.00 0.00 174.62 174.35 1x5p s TYR 56 N -0.52 3.38 0.63 4.92 2.02 -0.81 -2.05 117.35 124.91 1x5p s TYR 56 Ca 0.10 0.29 0.35 0.00 -0.37 0.00 0.00 57.07 57.43 1x5p s TYR 56 Cb -0.12 -1.79 1.93 0.00 -0.40 0.00 0.00 41.96 41.58 1x5p s TYR 56 CO 0.02 0.59 2.17 1.49 -1.57 0.00 0.00 175.55 178.25 1x5p h GLU 57 N 4.28 0.00 -5.35 -0.62 4.81 -1.73 -3.42 114.58 112.56 1x5p h GLU 57 Ca -0.50 0.00 -0.42 0.00 -0.13 0.00 0.00 59.36 58.31 1x5p h GLU 57 Cb 1.19 0.00 -0.14 0.00 0.63 0.00 0.00 28.75 30.43 1x5p h GLU 57 CO 0.62 0.00 -0.70 0.15 -0.73 0.00 0.00 179.01 178.36 1x5p s LYS 58 N -4.36 1.34 0.18 1.92 -0.14 -1.26 -5.05 119.74 112.38 1x5p s LYS 58 Ca -0.05 -1.64 0.14 0.00 -1.36 0.00 0.00 55.97 53.07 1x5p s LYS 58 Cb 0.13 -0.92 -0.04 0.00 -1.68 0.00 0.00 37.83 35.32 1x5p s LYS 58 CO 0.44 0.06 1.21 0.00 -0.76 0.00 0.00 175.35 176.31 1x5p h MET 59 N 2.50 0.00 -0.76 1.68 -0.00 -1.82 -3.31 114.93 113.22 1x5p h MET 59 Ca -0.38 0.00 0.06 0.00 -0.00 0.00 0.00 59.70 59.38 1x5p h MET 59 Cb 1.22 0.00 -0.05 0.00 -0.00 0.00 0.00 31.60 32.77 1x5p h MET 59 CO 0.64 0.51 0.50 1.05 -0.00 0.00 0.00 176.91 179.61 1x5p h GLU 60 N 0.00 0.79 -0.22 -0.10 4.11 -1.94 -2.20 114.58 115.02 1x5p h GLU 60 Ca -0.06 -0.05 -0.11 0.00 0.07 0.00 0.00 59.36 59.22 1x5p h GLU 60 Cb 1.52 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 30.59 1x5p h GLU 60 CO 0.07 0.52 -0.28 0.77 0.07 0.00 0.00 179.01 180.16 1x5p h SER 61 N 0.81 0.62 -0.93 3.06 0.02 -1.91 -2.87 113.55 112.35 1x5p h SER 61 Ca 0.33 -0.50 0.14 0.00 -0.84 0.00 0.00 61.79 60.92 1x5p h SER 61 Cb 0.24 -0.18 -0.15 0.00 0.14 0.00 0.00 62.40 62.46 1x5p h SER 61 CO -0.11 1.00 -0.39 0.00 -1.14 0.00 0.00 176.83 176.19 1x5p h ALA 62 N 0.64 0.09 -0.52 3.77 0.00 -1.51 0.41 119.26 122.14 1x5p h ALA 62 Ca 0.03 0.25 -0.11 0.00 0.00 0.00 0.00 54.91 55.07 1x5p h ALA 62 Cb 0.85 1.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.62 1x5p h ALA 62 CO 0.07 -0.65 -0.13 0.22 0.00 0.00 0.00 179.25 178.76 1x5p h ASP 63 N -0.03 0.99 0.18 0.00 3.58 -1.59 -2.78 116.42 116.77 1x5p h ASP 63 Ca 0.32 -0.33 -0.00 0.00 0.42 0.00 0.00 57.03 57.43 1x5p h ASP 63 Cb 0.58 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 41.35 1x5p h ASP 63 CO -0.94 1.11 -0.18 1.56 -2.88 0.00 0.00 179.24 177.92 1x5p h GLN 64 N 0.87 -0.34 -0.46 0.28 4.20 -0.08 -1.10 115.11 118.48 1x5p h GLN 64 Ca 0.13 0.02 0.09 0.00 0.06 0.00 0.00 58.65 58.95 1x5p h GLN 64 Cb 0.68 0.08 -0.10 0.00 0.30 0.00 0.00 27.48 28.44 1x5p h GLN 64 CO 0.05 -0.23 -0.33 0.00 -0.67 0.00 0.00 178.83 177.65 1x5p h ALA 65 N -1.44 -0.13 0.00 3.87 0.00 -0.94 0.77 119.26 121.38 1x5p h ALA 65 Ca -0.02 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1x5p h ALA 65 Cb 0.31 0.73 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1x5p h ALA 65 CO -0.02 -0.71 0.23 0.28 0.00 0.00 0.00 179.25 179.03 1x5p h VAL 66 N -0.22 0.00 0.12 0.00 2.07 -1.39 1.72 116.25 118.55 1x5p h VAL 66 Ca 0.19 0.00 -0.36 0.00 0.82 0.00 0.00 66.70 67.35 1x5p h VAL 66 Cb 0.54 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 1x5p h VAL 66 CO -0.59 0.00 -1.98 0.00 0.02 0.00 0.00 177.57 175.03 1x5p n ALA 67 N -1.87 0.93 -0.09 1.67 0.00 0.25 -3.87 120.51 117.53 1x5p n ALA 67 Ca -0.02 -0.60 -0.10 0.00 0.00 0.00 0.00 53.44 52.72 1x5p n ALA 67 Cb 0.28 -0.69 -0.03 0.00 0.00 0.00 0.00 19.45 19.00 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 -3.45 0.52 0.17 0.00 -0.58 0.06 -4.34 120.64 113.02 1x5p n GLU 68 Ca -0.31 0.29 0.09 0.00 -0.42 0.00 0.00 57.16 56.81 1x5p n GLU 68 Cb 1.05 -1.50 0.47 0.00 -0.57 0.00 0.00 31.44 30.90 1x5p n GLU 68 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1x5p n LEU 69 N -4.47 0.45 -4.63 -4.62 4.77 0.57 -4.04 117.00 105.03 1x5p n LEU 69 Ca -0.16 0.66 -0.43 0.00 -0.03 0.00 0.00 56.01 56.05 1x5p n LEU 69 Cb 0.50 -0.66 -0.02 0.00 -2.33 0.00 0.00 43.42 40.91 1x5p n LEU 69 CO 0.17 -0.81 1.34 0.21 -1.33 0.00 0.00 177.39 176.98 1x5p s ASN 70 N -3.72 6.40 -1.44 -1.43 2.47 -1.04 -2.55 114.94 113.62 1x5p s ASN 70 Ca -0.02 1.54 0.00 0.00 0.42 0.00 0.00 52.86 54.81 1x5p s ASN 70 Cb 0.05 -2.53 0.00 0.00 -1.45 0.00 0.00 41.25 37.32 1x5p s ASN 70 CO 0.16 -1.25 0.00 0.61 -3.72 0.00 0.00 177.10 172.89 1x5p n GLY 71 N 4.65 1.43 3.84 1.21 0.00 -0.96 -4.94 105.19 110.42 1x5p n GLY 71 Ca 0.18 -0.38 -0.34 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.50 4.72 -0.59 2.61 -1.32 -1.06 -4.86 115.64 112.64 1x5p s THR 72 Ca 0.00 0.94 -0.08 0.00 -1.21 0.00 0.00 61.69 61.34 1x5p s THR 72 Cb 0.00 -3.70 0.15 0.00 -1.51 0.00 0.00 72.50 67.44 1x5p s THR 72 CO 0.00 0.01 0.46 -1.58 -2.21 0.00 0.00 174.62 171.30 1x5p s GLN 73 N -2.51 2.72 -0.06 7.08 0.74 -1.26 -0.50 119.66 125.86 1x5p s GLN 73 Ca 0.47 -2.15 0.00 0.00 0.05 0.00 0.00 55.36 53.74 1x5p s GLN 73 Cb -0.13 -3.96 -0.03 0.00 1.10 0.00 0.00 33.01 29.99 1x5p s GLN 73 CO 0.19 -1.20 -0.05 0.14 -0.55 0.00 0.00 175.29 173.82 1x5p s VAL 74 N 0.67 3.89 -1.44 1.34 -7.23 -0.33 -4.53 120.40 112.76 1x5p s VAL 74 Ca 0.12 -0.44 -0.08 0.00 -1.81 0.00 0.00 61.98 59.76 1x5p s VAL 74 Cb -0.21 -2.61 0.05 0.00 0.56 0.00 0.00 36.38 34.16 1x5p s VAL 74 CO -0.03 0.58 0.67 -0.62 -0.31 0.00 0.00 175.10 175.38 1x5p n GLU 75 N 2.12 -4.66 -2.16 4.82 -0.58 -1.26 -0.26 120.64 118.66 1x5p n GLU 75 Ca -0.18 0.69 -0.18 0.00 -0.42 0.00 0.00 57.16 57.07 1x5p n GLU 75 Cb 0.53 -5.51 -0.02 0.00 -0.57 0.00 0.00 31.44 25.86 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 -2.52 -5.26 -3.75 1.62 7.64 -1.26 -4.98 113.62 105.10 1x5p n SER 76 Ca -0.04 0.09 -0.20 0.00 1.01 0.00 0.00 58.87 59.73 1x5p n SER 76 Cb 0.57 -4.34 -0.17 0.00 -1.01 0.00 0.00 64.21 59.26 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 -2.85 0.12 -0.34 0.44 1.01 0.64 -5.05 120.40 114.37 1x5p s VAL 77 Ca 0.00 0.22 -0.29 0.00 0.00 0.00 0.00 61.98 61.91 1x5p s VAL 77 Cb 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 36.38 36.09 1x5p s VAL 77 CO 0.00 0.19 1.34 -1.10 0.00 0.00 0.00 175.10 175.53 1x5p s GLN 78 N 1.68 3.78 -0.18 2.72 -0.21 -1.26 -1.19 119.66 125.01 1x5p s GLN 78 Ca -0.01 1.12 -0.09 0.00 0.02 0.00 0.00 55.36 56.40 1x5p s GLN 78 Cb -0.13 -3.94 -0.05 0.00 1.00 0.00 0.00 33.01 29.90 1x5p s GLN 78 CO -0.03 -1.29 0.13 -0.51 -2.12 0.00 0.00 175.29 171.46 1x5p s LEU 79 N 4.77 4.22 -0.38 2.90 1.43 0.35 -4.66 118.68 127.30 1x5p s LEU 79 Ca 0.58 0.27 -0.05 0.00 -1.03 0.00 0.00 54.13 53.91 1x5p s LEU 79 Cb -0.15 -2.07 0.08 0.00 0.03 0.00 0.00 46.19 44.07 1x5p s LEU 79 CO 0.27 0.23 0.17 -0.54 0.23 0.00 0.00 176.35 176.71 1x5p s LYS 80 N 0.04 2.31 0.02 1.70 1.02 -0.35 -2.26 119.74 122.22 1x5p s LYS 80 Ca 0.09 -1.55 -0.00 0.00 0.02 0.00 0.00 55.97 54.53 1x5p s LYS 80 Cb -0.11 -3.54 -0.04 0.00 -0.52 0.00 0.00 37.83 33.62 1x5p s LYS 80 CO -0.00 -0.91 0.13 0.08 -0.92 0.00 0.00 175.35 173.72 1x5p s VAL 81 N 1.27 4.97 0.10 3.17 1.01 -1.26 -0.20 120.40 129.46 1x5p s VAL 81 Ca 0.03 -0.41 -0.13 0.00 0.00 0.00 0.00 61.98 61.47 1x5p s VAL 81 Cb -0.22 -3.33 0.02 0.00 0.00 0.00 0.00 36.38 32.85 1x5p s VAL 81 CO -0.01 0.27 0.31 0.21 0.00 0.00 0.00 175.10 175.88 1x5p s ASN 82 N -2.02 -0.10 -0.84 3.32 3.84 0.13 -4.62 114.94 114.65 1x5p s ASN 82 Ca 0.27 -0.40 -0.25 0.00 0.21 0.00 0.00 52.86 52.68 1x5p s ASN 82 Cb -0.12 0.41 0.02 0.00 -0.55 0.00 0.00 41.25 41.00 1x5p s ASN 82 CO 0.19 -0.77 1.53 -0.63 -2.79 0.00 0.00 177.10 174.63 1x5p s ILE 83 N -3.60 3.69 0.18 -5.21 -1.09 -1.26 0.35 121.20 114.27 1x5p s ILE 83 Ca 0.02 -0.14 -0.25 0.00 -2.23 0.00 0.00 60.65 58.06 1x5p s ILE 83 Cb 0.02 -4.68 -0.15 0.00 -1.58 0.00 0.00 42.46 36.07 1x5p s ILE 83 CO -0.10 -1.60 0.45 0.00 -1.23 0.00 0.00 174.94 172.46 1x5p n ALA 84 N 10.43 -2.68 -2.70 9.38 0.00 -1.25 -4.88 120.51 128.80 1x5p n ALA 84 Ca 0.22 0.38 -0.35 0.00 0.00 0.00 0.00 53.44 53.69 1x5p n ALA 84 Cb 0.50 -1.43 -0.05 0.00 0.00 0.00 0.00 19.45 18.46 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 -0.89 3.64 -0.43 0.00 1.70 -1.26 -4.42 118.95 117.29 1x5p s ARG 85 Ca 0.57 0.00 -0.01 0.00 -0.47 0.00 0.00 55.73 55.82 1x5p s ARG 85 Cb -0.82 -3.05 0.00 0.00 -0.57 0.00 0.00 34.95 30.51 1x5p s ARG 85 CO 0.50 0.62 0.36 1.17 -1.08 0.00 0.00 175.30 176.87 1x5p n LYS 86 N 1.03 -2.43 -3.76 3.89 4.81 -1.26 -5.01 118.16 115.44 1x5p n LYS 86 Ca -0.10 0.29 -0.31 0.00 -0.87 0.00 0.00 58.31 57.32 1x5p n LYS 86 Cb 0.53 -3.65 -0.10 0.00 0.02 0.00 0.00 35.03 31.83 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 -2.06 2.22 -1.08 1.64 10.64 -1.26 -5.09 117.38 122.39 1x5p n GLN 87 Ca -0.06 -4.51 -0.30 0.00 -1.83 0.00 0.00 57.00 50.29 1x5p n GLN 87 Cb 0.54 -2.33 0.25 0.00 -0.86 0.00 0.00 30.24 27.84 1x5p n GLN 87 CO 0.00 0.00 0.00 -1.25 -1.83 0.00 0.00 177.06 173.98 1x5p s PRO 88 N -1.58 -1.46 -0.24 2.61 0.04 -1.26 -4.82 135.00 128.30 1x5p s PRO 88 Ca 0.27 -0.16 -0.32 0.00 0.04 0.00 0.00 61.00 60.83 1x5p s PRO 88 Cb -0.03 -1.58 -0.09 0.00 0.04 0.00 0.00 34.50 32.84 1x5p s PRO 88 CO -0.14 -3.85 2.14 0.00 0.04 0.00 0.00 177.00 175.19 1x5p n MET 89 N -4.84 1.65 -4.73 4.56 0.00 -1.26 -4.95 117.12 107.55 1x5p n MET 89 Ca 0.14 0.49 -0.31 0.00 0.00 0.00 0.00 57.70 58.02 1x5p n MET 89 Cb 0.60 -2.80 -0.13 0.00 0.00 0.00 0.00 33.22 30.89 1x5p n MET 89 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 175.97 174.80 1x5p s LEU 90 N 7.03 2.64 0.55 3.17 0.20 -1.26 -5.10 118.68 125.91 1x5p s LEU 90 Ca 1.03 -0.36 -0.19 0.00 0.69 0.00 0.00 54.13 55.29 1x5p s LEU 90 Cb -0.62 -1.54 -0.08 0.00 -0.43 0.00 0.00 46.19 43.51 1x5p s LEU 90 CO 0.44 0.28 0.67 0.47 -0.29 0.00 0.00 176.35 177.92 1x5p n ASP 91 N 1.75 -0.41 -0.10 3.68 9.92 -1.26 -4.94 116.55 125.18 1x5p n ASP 91 Ca -0.16 0.80 -0.13 0.00 -0.53 0.00 0.00 54.79 54.76 1x5p n ASP 91 Cb 0.52 -1.23 -0.12 0.00 -0.64 0.00 0.00 41.12 39.66 1x5p n ASP 91 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 1x5p n SER 92 N 0.30 1.73 -3.97 -2.24 2.88 -1.26 -4.77 113.62 106.29 1x5p n SER 92 Ca 0.12 -0.08 -0.31 0.00 -1.33 0.00 0.00 58.87 57.27 1x5p n SER 92 Cb 0.46 0.06 -0.10 0.00 -0.75 0.00 0.00 64.21 63.87 1x5p n SER 92 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x5p s GLY 93 N -5.87 2.94 -0.09 0.46 0.00 -1.26 -5.07 107.32 98.43 1x5p s GLY 93 Ca -0.24 -3.79 -0.30 0.00 0.00 0.00 0.00 44.72 40.40 1x5p s GLY 93 CO 0.59 1.11 1.53 2.56 0.00 0.00 0.00 173.10 178.88 1x5p s PRO 94 N -1.31 4.19 -0.21 2.90 0.04 -1.26 -4.92 135.00 134.43 1x5p s PRO 94 Ca 0.25 2.01 -0.19 0.00 0.04 0.00 0.00 61.00 63.11 1x5p s PRO 94 Cb -0.07 -3.92 -0.16 0.00 0.04 0.00 0.00 34.50 30.40 1x5p s PRO 94 CO -0.14 -0.81 0.04 0.45 0.04 0.00 0.00 177.00 176.58 1x5p n SER 95 N 6.99 1.87 -1.64 6.66 2.88 -1.26 -4.29 113.62 124.83 1x5p n SER 95 Ca 0.16 0.43 -0.06 0.00 -1.33 0.00 0.00 58.87 58.07 1x5p n SER 95 Cb 0.43 -0.92 0.02 0.00 -0.75 0.00 0.00 64.21 62.99 1x5p n SER 95 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1x5p n SER 96 N -4.42 5.74 0.00 -3.46 3.41 -1.26 -5.32 113.62 108.30 1x5p n SER 96 Ca -0.33 -2.66 0.00 0.00 -0.26 0.00 0.00 58.87 55.62 1x5p n SER 96 Cb 0.67 -1.09 0.00 0.00 -0.26 0.00 0.00 64.21 63.53 1x5p n SER 96 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49