#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r95 n SER 2 N 0.00 -3.68 -4.54 3.17 2.88 -1.26 -4.79 113.62 105.40 1r95 n SER 2 Ca 0.00 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.18 1r95 n SER 2 Cb 0.00 -1.74 -0.11 0.00 -0.75 0.00 0.00 64.21 61.60 1r95 n SER 2 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1r95 s ILE 3 N -1.72 4.61 0.23 2.46 1.01 -1.26 -1.34 121.20 125.19 1r95 s ILE 3 Ca 0.00 -0.08 0.10 0.00 0.00 0.00 0.00 60.65 60.67 1r95 s ILE 3 Cb 0.00 -3.13 -0.05 0.00 0.01 0.00 0.00 42.46 39.30 1r95 s ILE 3 CO 0.00 0.38 -0.18 0.42 0.00 0.00 0.00 174.94 175.56 1r95 s THR 4 N 1.09 2.11 -0.01 2.92 -4.23 -0.61 -4.79 115.64 112.12 1r95 s THR 4 Ca 0.05 -2.25 0.08 0.00 -1.18 0.00 0.00 61.69 58.38 1r95 s THR 4 Cb -0.14 -2.14 -0.02 0.00 1.34 0.00 0.00 72.50 71.54 1r95 s THR 4 CO 0.03 -0.45 -0.26 -0.76 -0.54 0.00 0.00 174.62 172.65 1r95 s LEU 5 N -3.29 2.06 0.75 4.79 1.02 -1.26 -1.17 118.68 121.58 1r95 s LEU 5 Ca 0.25 -0.48 -0.11 0.00 0.02 0.00 0.00 54.13 53.81 1r95 s LEU 5 Cb -0.04 -1.31 0.04 0.00 0.02 0.00 0.00 46.19 44.90 1r95 s LEU 5 CO 0.11 0.31 1.10 -0.94 0.02 0.00 0.00 176.35 176.94 1r95 s SER 6 N -0.67 4.98 0.17 2.29 1.04 -0.29 -4.85 113.70 116.37 1r95 s SER 6 Ca 0.10 1.23 -0.19 0.00 0.48 0.00 0.00 55.95 57.56 1r95 s SER 6 Cb -0.10 -1.99 0.10 0.00 0.10 0.00 0.00 66.02 64.13 1r95 s SER 6 CO -0.01 -1.65 1.63 0.44 0.98 0.00 0.00 173.24 174.63 1r95 h ASP 7 N -0.87 -0.71 -0.42 7.02 3.32 -1.99 0.15 116.42 122.91 1r95 h ASP 7 Ca -0.46 0.16 -0.02 0.00 0.02 0.00 0.00 57.03 56.72 1r95 h ASP 7 Cb 1.26 0.38 -0.02 0.00 0.22 0.00 0.00 39.33 41.16 1r95 h ASP 7 CO 0.61 -0.24 0.19 0.77 -1.72 0.00 0.00 179.24 178.85 1r95 h SER 8 N -0.14 0.60 -0.16 6.45 4.64 -1.93 0.78 113.55 123.78 1r95 h SER 8 Ca 0.20 -0.07 -0.06 0.00 -0.47 0.00 0.00 61.79 61.39 1r95 h SER 8 Cb 0.44 -0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 62.37 1r95 h SER 8 CO -0.49 0.55 -0.14 0.00 -0.87 0.00 0.00 176.83 175.88 1r95 h ALA 9 N 1.54 0.24 -0.14 5.18 0.00 -1.68 0.73 119.26 125.13 1r95 h ALA 9 Ca 0.16 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1r95 h ALA 9 Cb 0.13 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1r95 h ALA 9 CO -0.02 0.11 0.08 0.00 0.00 0.00 0.00 179.25 179.43 1r95 h ALA 10 N 0.64 0.18 -0.46 0.00 0.00 -0.63 0.36 119.26 119.35 1r95 h ALA 10 Ca 0.03 -0.05 0.09 0.00 0.00 0.00 0.00 54.91 54.98 1r95 h ALA 10 Cb 0.66 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.32 1r95 h ALA 10 CO 0.04 -0.29 -0.01 0.00 0.00 0.00 0.00 179.25 178.98 1r95 h ALA 11 N 0.99 0.42 -0.60 0.00 0.00 -0.87 0.42 119.26 119.62 1r95 h ALA 11 Ca 0.05 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1r95 h ALA 11 Cb 0.05 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1r95 h ALA 11 CO -0.01 -0.39 0.33 -0.09 0.00 0.00 0.00 179.25 179.09 1r95 h ARG 12 N 0.11 0.84 -0.14 0.00 9.65 -0.23 0.31 114.38 124.92 1r95 h ARG 12 Ca 0.23 -0.10 -0.03 0.00 -1.10 0.00 0.00 59.98 58.98 1r95 h ARG 12 Cb 0.34 -0.17 -0.00 0.00 -1.39 0.00 0.00 29.97 28.75 1r95 h ARG 12 CO -0.39 0.64 -0.04 0.28 2.80 0.00 0.00 179.97 183.26 1r95 h VAL 13 N 0.82 1.29 -0.81 0.20 2.07 0.42 -0.70 116.25 119.54 1r95 h VAL 13 Ca 0.21 -1.00 0.00 0.00 0.82 0.00 0.00 66.70 66.73 1r95 h VAL 13 Cb 0.04 1.66 -0.04 0.00 -1.52 0.00 0.00 31.29 31.43 1r95 h VAL 13 CO -0.03 0.29 0.52 0.78 0.02 0.00 0.00 177.57 179.15 1r95 h ASN 14 N -0.03 0.94 -0.13 0.57 2.35 0.11 0.16 115.58 119.55 1r95 h ASN 14 Ca 0.04 -0.04 0.04 0.00 -0.55 0.00 0.00 56.30 55.79 1r95 h ASN 14 Cb 0.47 -0.24 -0.07 0.00 0.05 0.00 0.00 38.32 38.54 1r95 h ASN 14 CO 0.02 0.70 -0.40 0.74 -1.65 0.00 0.00 177.43 176.83 1r95 h THR 15 N 1.10 0.17 -0.28 2.81 2.02 -0.23 0.22 112.91 118.71 1r95 h THR 15 Ca 0.29 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.54 1r95 h THR 15 Cb -0.10 0.17 -0.06 0.00 -1.74 0.00 0.00 68.15 66.42 1r95 h THR 15 CO -0.06 0.00 -0.11 -0.26 0.37 0.00 0.00 175.52 175.46 1r95 h PHE 16 N -0.47 -0.26 -0.34 3.16 -1.00 -0.21 -1.59 116.94 116.23 1r95 h PHE 16 Ca 0.08 0.03 -0.00 0.00 2.81 0.00 0.00 57.97 60.89 1r95 h PHE 16 Cb 0.61 0.16 -0.02 0.00 3.61 0.00 0.00 35.95 40.32 1r95 h PHE 16 CO -0.47 -0.18 0.20 -0.07 -1.61 0.00 0.00 178.31 176.18 1r95 h LEU 17 N -0.06 0.40 -0.01 1.54 3.38 -0.26 -2.30 115.31 117.99 1r95 h LEU 17 Ca 0.15 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 1r95 h LEU 17 Cb 0.28 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1r95 h LEU 17 CO -0.33 0.31 -0.02 0.00 0.09 0.00 0.00 178.44 178.49 1r95 h ALA 18 N 1.76 0.02 -0.81 1.53 0.00 0.17 -2.68 119.26 119.25 1r95 h ALA 18 Ca 0.12 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.74 1r95 h ALA 18 Cb -0.01 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 1r95 h ALA 18 CO -0.02 -0.17 0.53 -0.91 0.00 0.00 0.00 179.25 178.68 1r95 h ASN 19 N -0.54 0.91 -0.19 0.00 2.35 -1.20 -2.37 115.58 114.54 1r95 h ASN 19 Ca -0.00 -0.02 -0.09 0.00 -0.55 0.00 0.00 56.30 55.64 1r95 h ASN 19 Cb 0.61 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.74 1r95 h ASN 19 CO 0.00 0.65 -0.16 -0.09 -1.65 0.00 0.00 177.43 176.19 1r95 h ARG 20 N 1.07 0.60 0.00 0.81 2.43 -1.47 -3.47 114.38 114.35 1r95 h ARG 20 Ca 0.30 -0.20 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 1r95 h ARG 20 Cb -0.09 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.41 1r95 h ARG 20 CO -0.07 0.73 0.00 0.41 -1.51 0.00 0.00 179.97 179.53 1r95 n GLY 21 N -0.48 1.06 3.54 2.80 0.00 -0.89 -4.99 105.19 106.22 1r95 n GLY 21 Ca 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1r95 n GLY 21 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1r95 s LYS 22 N -0.60 1.42 0.00 1.61 -2.85 -1.25 -5.05 119.74 113.01 1r95 s LYS 22 Ca 0.00 -0.67 0.00 0.00 -1.00 0.00 0.00 55.97 54.30 1r95 s LYS 22 Cb 0.00 0.58 0.00 0.00 -2.06 0.00 0.00 37.83 36.35 1r95 s LYS 22 CO 0.00 -0.62 0.00 0.41 0.10 0.00 0.00 175.35 175.24 1r95 n GLY 23 N -0.39 4.61 0.16 0.59 0.00 -1.26 -4.90 105.19 104.00 1r95 n GLY 23 Ca -0.13 -1.21 -0.11 0.00 0.00 0.00 0.00 46.02 44.57 1r95 n GLY 23 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1r95 h PHE 24 N 0.00 0.54 0.00 1.61 3.57 -0.77 -3.49 116.94 118.40 1r95 h PHE 24 Ca 0.00 -0.27 0.00 0.00 3.53 0.00 0.00 57.97 61.23 1r95 h PHE 24 Cb 0.00 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 38.67 1r95 h PHE 24 CO 0.00 1.07 0.00 0.41 -2.23 0.00 0.00 178.31 177.56 1r95 n GLY 25 N 0.78 -0.27 3.37 2.40 0.00 -1.11 -4.46 105.19 105.91 1r95 n GLY 25 Ca -0.05 -0.55 -0.33 0.00 0.00 0.00 0.00 46.02 45.09 1r95 n GLY 25 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1r95 s LEU 26 N 0.00 2.58 -0.25 0.99 2.96 0.60 -1.93 118.68 123.63 1r95 s LEU 26 Ca 0.00 -0.34 -0.09 0.00 -0.22 0.00 0.00 54.13 53.48 1r95 s LEU 26 Cb 0.00 -1.55 -0.04 0.00 0.50 0.00 0.00 46.19 45.10 1r95 s LEU 26 CO 0.00 0.21 0.11 -0.60 -1.32 0.00 0.00 176.35 174.75 1r95 s ARG 27 N 0.06 3.81 -0.17 1.98 3.52 0.14 0.14 118.95 128.42 1r95 s ARG 27 Ca -0.06 -0.40 -0.13 0.00 -0.13 0.00 0.00 55.73 55.01 1r95 s ARG 27 Cb -0.15 -3.43 -0.05 0.00 -1.56 0.00 0.00 34.95 29.77 1r95 s ARG 27 CO 0.05 -0.11 0.24 -0.51 -0.81 0.00 0.00 175.30 174.16 1r95 s LEU 28 N 1.46 4.23 0.00 -0.88 1.02 -0.67 -1.71 118.68 122.14 1r95 s LEU 28 Ca 0.06 0.42 0.02 0.00 0.02 0.00 0.00 54.13 54.65 1r95 s LEU 28 Cb -0.15 -2.29 -0.01 0.00 0.02 0.00 0.00 46.19 43.77 1r95 s LEU 28 CO 0.06 0.12 0.06 0.61 0.02 0.00 0.00 176.35 177.22 1r95 n GLY 29 N 3.43 3.80 3.32 -3.19 0.00 0.29 -4.43 105.19 108.41 1r95 n GLY 29 Ca -0.13 -1.71 -0.13 0.00 0.00 0.00 0.00 46.02 44.04 1r95 n GLY 29 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1r95 s VAL 30 N -2.28 0.01 0.14 1.61 1.01 -1.26 -1.21 120.40 118.42 1r95 s VAL 30 Ca 0.08 -0.05 -0.11 0.00 0.00 0.00 0.00 61.98 61.90 1r95 s VAL 30 Cb 0.00 -0.62 0.01 0.00 0.00 0.00 0.00 36.38 35.77 1r95 s VAL 30 CO 0.06 -0.03 0.30 0.00 0.00 0.00 0.00 175.10 175.43 1r95 s ARG 31 N 0.00 1.06 0.14 2.72 1.70 0.69 -4.90 118.95 120.36 1r95 s ARG 31 Ca -0.02 -0.99 -0.30 0.00 -0.47 0.00 0.00 55.73 53.95 1r95 s ARG 31 Cb -0.03 0.40 -0.07 0.00 -0.57 0.00 0.00 34.95 34.68 1r95 s ARG 31 CO 0.01 -0.39 1.12 0.95 -1.08 0.00 0.00 175.30 175.91 1r95 s THR 32 N -3.89 3.96 0.04 4.99 -4.23 -1.26 0.12 115.64 115.36 1r95 s THR 32 Ca 0.10 1.60 0.08 0.00 -1.18 0.00 0.00 61.69 62.29 1r95 s THR 32 Cb 0.03 -4.02 -0.23 0.00 1.34 0.00 0.00 72.50 69.62 1r95 s THR 32 CO -0.06 0.23 0.96 -1.28 -0.54 0.00 0.00 174.62 173.93 1r95 h SER 33 N 5.59 0.05 0.00 3.99 0.87 -1.38 -3.43 113.55 119.24 1r95 h SER 33 Ca -0.43 -0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.05 1r95 h SER 33 Cb 1.21 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.16 1r95 h SER 33 CO 0.75 1.07 0.00 0.61 -0.53 0.00 0.00 176.83 178.72 1r95 n GLY 34 N 1.48 3.05 5.00 5.77 0.00 -1.25 -4.97 105.19 114.27 1r95 n GLY 34 Ca -0.09 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.75 1r95 n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r95 n SER 36 N 2.66 1.43 -3.62 0.00 3.41 -1.26 -5.10 113.62 111.14 1r95 n SER 36 Ca 0.00 -3.10 -0.15 0.00 -0.26 0.00 0.00 58.87 55.36 1r95 n SER 36 Cb 0.00 -0.61 -0.07 0.00 -0.26 0.00 0.00 64.21 63.27 1r95 n SER 36 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1r95 s GLY 37 N -2.63 -0.52 -0.05 5.00 0.00 -1.25 -5.04 107.32 102.84 1r95 s GLY 37 Ca 0.41 1.78 0.06 0.00 0.00 0.00 0.00 44.72 46.96 1r95 s GLY 37 CO -0.08 1.49 -0.22 -0.29 0.00 0.00 0.00 173.10 173.99 1r95 s MET 38 N -0.00 2.27 -0.10 2.90 -2.45 -1.26 -1.08 119.30 119.57 1r95 s MET 38 Ca -0.03 -0.81 0.03 0.00 -1.25 0.00 0.00 55.69 53.64 1r95 s MET 38 Cb -0.04 -1.95 -0.01 0.00 1.25 0.00 0.00 34.83 34.09 1r95 s MET 38 CO 0.03 0.34 -0.21 0.00 1.05 0.00 0.00 175.02 176.23 1r95 s ALA 39 N -0.12 2.31 0.33 4.11 0.00 0.32 -4.69 121.76 124.01 1r95 s ALA 39 Ca -0.03 -0.96 -0.28 0.00 0.00 0.00 0.00 51.96 50.69 1r95 s ALA 39 Cb -0.13 -0.91 -0.10 0.00 0.00 0.00 0.00 23.12 21.99 1r95 s ALA 39 CO 0.03 0.31 1.19 0.71 0.00 0.00 0.00 175.76 178.00 1r95 s TYR 40 N 0.22 3.27 0.03 0.00 1.51 -1.26 -0.23 117.35 120.89 1r95 s TYR 40 Ca -0.13 1.56 0.05 0.00 -1.01 0.00 0.00 57.07 57.54 1r95 s TYR 40 Cb -0.16 -3.45 -0.02 0.00 -0.11 0.00 0.00 41.96 38.22 1r95 s TYR 40 CO 0.07 -1.19 -0.14 0.08 -1.11 0.00 0.00 175.55 173.26 1r95 s VAL 41 N -1.22 1.12 -0.08 0.71 1.01 -0.35 -4.90 120.40 116.69 1r95 s VAL 41 Ca 0.49 -0.91 0.05 0.00 0.00 0.00 0.00 61.98 61.61 1r95 s VAL 41 Cb -0.34 -0.99 -0.01 0.00 0.00 0.00 0.00 36.38 35.04 1r95 s VAL 41 CO 0.45 0.08 -0.24 -0.76 0.00 0.00 0.00 175.10 174.62 1r95 s LEU 42 N -0.96 2.11 0.08 3.92 1.43 -1.26 -0.55 118.68 123.46 1r95 s LEU 42 Ca 0.03 -0.52 -0.08 0.00 -1.03 0.00 0.00 54.13 52.52 1r95 s LEU 42 Cb -0.07 -1.40 -0.00 0.00 0.03 0.00 0.00 46.19 44.74 1r95 s LEU 42 CO 0.01 0.20 0.18 -1.61 0.23 0.00 0.00 176.35 175.36 1r95 s GLU 43 N 0.08 0.81 0.52 1.70 2.02 -0.69 -4.99 118.70 118.15 1r95 s GLU 43 Ca -0.11 -0.92 -0.17 0.00 0.02 0.00 0.00 54.97 53.80 1r95 s GLU 43 Cb -0.16 0.33 -0.07 0.00 0.10 0.00 0.00 34.13 34.33 1r95 s GLU 43 CO 0.06 -0.25 1.00 -0.06 0.02 0.00 0.00 175.26 176.03 1r95 s PHE 44 N -3.67 3.38 -0.04 1.61 0.40 -1.26 0.23 117.98 118.63 1r95 s PHE 44 Ca 0.03 1.48 0.03 0.00 -0.60 0.00 0.00 56.93 57.88 1r95 s PHE 44 Cb 0.04 -2.83 0.00 0.00 0.51 0.00 0.00 43.02 40.75 1r95 s PHE 44 CO -0.10 -0.47 -0.14 0.08 0.70 0.00 0.00 175.22 175.29 1r95 s VAL 45 N -2.59 1.17 -0.16 -0.44 1.01 -0.81 -4.70 120.40 113.88 1r95 s VAL 45 Ca 0.60 -0.56 0.12 0.00 0.00 0.00 0.00 61.98 62.14 1r95 s VAL 45 Cb -0.11 -1.02 -0.18 0.00 0.00 0.00 0.00 36.38 35.07 1r95 s VAL 45 CO 0.32 0.35 0.02 0.47 0.00 0.00 0.00 175.10 176.26 1r95 n ASP 46 N 3.31 1.38 -3.65 3.32 8.00 -1.26 -0.21 116.55 127.44 1r95 n ASP 46 Ca -0.19 -0.01 -0.20 0.00 0.71 0.00 0.00 54.79 55.10 1r95 n ASP 46 Cb 0.53 0.72 -0.17 0.00 -0.02 0.00 0.00 41.12 42.18 1r95 n ASP 46 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1r95 s GLU 47 N -2.37 -0.02 0.21 -1.24 0.41 -1.26 -4.28 118.70 110.15 1r95 s GLU 47 Ca -0.10 0.36 -0.32 0.00 -0.41 0.00 0.00 54.97 54.50 1r95 s GLU 47 Cb 0.05 -0.64 -0.12 0.00 -1.78 0.00 0.00 34.13 31.63 1r95 s GLU 47 CO 0.61 -0.38 1.73 -2.30 -0.49 0.00 0.00 175.26 174.42 1r95 n PRO 48 N 5.31 2.77 -1.64 0.39 -0.02 -1.26 -5.02 135.00 135.53 1r95 n PRO 48 Ca -0.04 1.00 -0.30 0.00 -2.02 0.00 0.00 63.50 62.14 1r95 n PRO 48 Cb 0.50 -2.85 0.07 0.00 -0.02 0.00 0.00 33.50 31.20 1r95 n PRO 48 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1r95 s THR 49 N 1.19 3.31 0.46 3.45 -4.23 -1.26 -4.95 115.64 113.62 1r95 s THR 49 Ca 0.75 0.43 0.33 0.00 -1.18 0.00 0.00 61.69 62.02 1r95 s THR 49 Cb -0.51 -3.23 0.36 0.00 1.34 0.00 0.00 72.50 70.46 1r95 s THR 49 CO 0.32 -0.56 2.17 -0.65 -0.54 0.00 0.00 174.62 175.37 1r95 h PRO 50 N -0.93 0.00 0.00 3.99 0.11 -2.04 -1.00 132.00 132.13 1r95 h PRO 50 Ca -0.46 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.65 1r95 h PRO 50 Cb 1.26 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.37 1r95 h PRO 50 CO 0.60 0.05 -0.01 0.93 -0.21 0.00 0.00 178.00 179.36 1r95 h GLU 51 N 0.00 0.00 -7.21 1.05 3.07 -1.99 -3.47 114.58 106.03 1r95 h GLU 51 Ca -0.00 0.00 -0.48 0.00 -0.50 0.00 0.00 59.36 58.38 1r95 h GLU 51 Cb 0.22 0.00 0.03 0.00 -0.84 0.00 0.00 28.75 28.16 1r95 h GLU 51 CO 0.01 0.01 0.38 -0.51 -1.40 0.00 0.00 179.01 177.50 1r95 s ASP 52 N -5.80 6.46 -0.09 1.42 1.01 -0.38 -2.06 116.67 117.23 1r95 s ASP 52 Ca 0.02 1.58 0.02 0.00 0.71 0.00 0.00 52.55 54.88 1r95 s ASP 52 Cb 0.08 -2.51 -0.02 0.00 1.01 0.00 0.00 42.92 41.49 1r95 s ASP 52 CO 0.57 -0.70 -0.14 -0.63 0.21 0.00 0.00 175.17 174.48 1r95 s ILE 53 N -2.67 3.07 -0.03 0.77 -1.09 0.41 -4.82 121.20 116.84 1r95 s ILE 53 Ca 0.59 -0.69 0.06 0.00 -2.23 0.00 0.00 60.65 58.39 1r95 s ILE 53 Cb -0.11 -2.24 -0.01 0.00 -1.58 0.00 0.00 42.46 38.51 1r95 s ILE 53 CO 0.35 0.56 -0.22 -0.69 -1.23 0.00 0.00 174.94 173.70 1r95 s VAL 54 N -0.19 1.78 0.29 2.92 1.01 -1.26 -1.11 120.40 123.84 1r95 s VAL 54 Ca 0.00 -0.95 -0.05 0.00 0.00 0.00 0.00 61.98 60.98 1r95 s VAL 54 Cb -0.13 -1.49 0.02 0.00 0.00 0.00 0.00 36.38 34.78 1r95 s VAL 54 CO 0.03 0.50 0.46 2.22 0.00 0.00 0.00 175.10 178.32 1r95 n PHE 55 N 2.67 -1.52 -3.87 5.22 1.16 -0.58 -4.93 117.46 115.61 1r95 n PHE 55 Ca -0.16 -1.71 -0.16 0.00 -1.87 0.00 0.00 57.45 53.56 1r95 n PHE 55 Cb 0.52 0.53 -0.16 0.00 -1.61 0.00 0.00 39.48 38.77 1r95 n PHE 55 CO 0.00 0.00 0.00 -2.00 -1.87 0.00 0.00 176.76 172.89 1r95 s GLU 56 N -2.44 0.14 -0.01 3.97 2.12 -1.26 0.15 118.70 121.38 1r95 s GLU 56 Ca 0.19 0.09 0.00 0.00 0.36 0.00 0.00 54.97 55.62 1r95 s GLU 56 Cb -0.02 -0.33 0.01 0.00 0.26 0.00 0.00 34.13 34.05 1r95 s GLU 56 CO 0.14 -0.12 -0.01 0.34 -0.54 0.00 0.00 175.26 175.07 1r95 s ASP 57 N 0.85 0.21 -1.58 -1.70 2.15 -1.07 -4.90 116.67 110.64 1r95 s ASP 57 Ca -0.08 -0.02 -0.09 0.00 0.43 0.00 0.00 52.55 52.80 1r95 s ASP 57 Cb -0.11 -0.06 0.08 0.00 -0.30 0.00 0.00 42.92 42.53 1r95 s ASP 57 CO -0.02 -0.02 0.48 0.29 -0.17 0.00 0.00 175.17 175.73 1r95 n LYS 58 N 3.37 -2.52 -3.90 4.34 4.76 -1.26 -0.73 118.16 122.21 1r95 n LYS 58 Ca -0.17 0.30 -0.28 0.00 -2.87 0.00 0.00 58.31 55.30 1r95 n LYS 58 Cb 0.57 -4.55 -0.01 0.00 -1.84 0.00 0.00 35.03 29.20 1r95 n LYS 58 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1r95 n GLY 59 N -1.82 -0.42 2.89 0.72 0.00 -1.26 -4.99 105.19 100.30 1r95 n GLY 59 Ca -0.14 0.23 -0.23 0.00 0.00 0.00 0.00 46.02 45.87 1r95 n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1r95 s VAL 60 N -3.84 0.71 -0.19 1.61 1.01 0.09 -5.04 120.40 114.76 1r95 s VAL 60 Ca 0.13 -0.16 -0.29 0.00 0.00 0.00 0.00 61.98 61.66 1r95 s VAL 60 Cb -0.05 -0.75 -0.01 0.00 0.00 0.00 0.00 36.38 35.57 1r95 s VAL 60 CO 0.89 0.29 1.27 -0.54 0.00 0.00 0.00 175.10 177.01 1r95 s LYS 61 N 1.33 4.17 -0.22 2.72 -0.14 -1.26 -2.58 119.74 123.75 1r95 s LYS 61 Ca -0.04 1.59 -0.09 0.00 -1.36 0.00 0.00 55.97 56.07 1r95 s LYS 61 Cb -0.14 -3.79 -0.04 0.00 -1.68 0.00 0.00 37.83 32.18 1r95 s LYS 61 CO -0.03 -0.79 0.11 0.08 -0.76 0.00 0.00 175.35 173.97 1r95 s VAL 62 N 3.67 5.01 -0.19 3.17 1.01 0.12 -0.30 120.40 132.89 1r95 s VAL 62 Ca 0.55 0.05 -0.06 0.00 0.00 0.00 0.00 61.98 62.53 1r95 s VAL 62 Cb -0.21 -3.31 -0.03 0.00 0.00 0.00 0.00 36.38 32.83 1r95 s VAL 62 CO 0.16 0.38 0.02 -0.69 0.00 0.00 0.00 175.10 174.98 1r95 s VAL 63 N 0.92 4.24 -0.06 2.92 1.01 0.37 -1.53 120.40 128.26 1r95 s VAL 63 Ca 0.06 -0.22 0.00 0.00 0.00 0.00 0.00 61.98 61.82 1r95 s VAL 63 Cb -0.13 -2.91 0.02 0.00 0.00 0.00 0.00 36.38 33.35 1r95 s VAL 63 CO 0.03 0.43 -0.05 -0.69 0.00 0.00 0.00 175.10 174.83 1r95 s VAL 64 N 0.80 0.64 0.29 2.92 1.01 -0.27 -1.66 120.40 124.13 1r95 s VAL 64 Ca 0.01 -0.12 -0.29 0.00 0.00 0.00 0.00 61.98 61.59 1r95 s VAL 64 Cb -0.14 -0.68 -0.14 0.00 0.00 0.00 0.00 36.38 35.42 1r95 s VAL 64 CO 0.02 0.27 1.14 -0.67 0.00 0.00 0.00 175.10 175.86 1r95 n ASP 65 N 4.44 1.87 -0.31 3.32 -0.08 -1.26 -0.44 116.55 124.08 1r95 n ASP 65 Ca -0.18 1.18 -0.04 0.00 -1.51 0.00 0.00 54.79 54.25 1r95 n ASP 65 Cb 0.51 -1.36 0.08 0.00 2.34 0.00 0.00 41.12 42.69 1r95 n ASP 65 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 1r95 h GLY 66 N 2.42 1.21 2.00 0.27 0.00 -1.73 -1.34 103.07 105.90 1r95 h GLY 66 Ca -0.42 -0.47 -0.01 0.00 0.00 0.00 0.00 47.33 46.42 1r95 h GLY 66 CO 0.63 0.46 -0.06 0.50 0.00 0.00 0.00 176.54 178.07 1r95 h LYS 67 N 1.16 0.00 -0.01 4.80 1.57 -1.90 -2.86 116.57 119.33 1r95 h LYS 67 Ca 0.31 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.09 1r95 h LYS 67 Cb -0.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.21 1r95 h LYS 67 CO -0.06 0.06 -0.12 0.43 -0.57 0.00 0.00 179.45 179.19 1r95 n SER 68 N -3.46 1.45 0.14 0.86 7.64 -0.52 -4.41 113.62 115.33 1r95 n SER 68 Ca -0.02 -1.30 0.01 0.00 1.01 0.00 0.00 58.87 58.57 1r95 n SER 68 Cb 0.19 0.08 0.32 0.00 -1.01 0.00 0.00 64.21 63.79 1r95 n SER 68 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1r95 h LEU 69 N 2.08 0.13 -0.80 -3.43 5.85 -1.41 -2.62 115.31 115.11 1r95 h LEU 69 Ca 0.00 -0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.69 1r95 h LEU 69 Cb 0.55 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.50 1r95 h LEU 69 CO 0.00 0.46 0.53 0.06 -0.34 0.00 0.00 178.44 179.14 1r95 h GLN 70 N 0.11 1.03 -0.09 1.25 3.07 -1.80 -1.91 115.11 116.77 1r95 h GLN 70 Ca 0.01 -0.06 -0.16 0.00 0.09 0.00 0.00 58.65 58.53 1r95 h GLN 70 Cb 0.64 -0.23 -0.01 0.00 0.08 0.00 0.00 27.48 27.96 1r95 h GLN 70 CO 0.05 0.68 -0.63 0.74 0.09 0.00 0.00 178.83 179.77 1r95 h PHE 71 N 1.07 0.43 0.00 0.06 -1.00 -1.79 -3.35 116.94 112.35 1r95 h PHE 71 Ca 0.30 -0.17 0.00 0.00 2.81 0.00 0.00 57.97 60.91 1r95 h PHE 71 Cb -0.10 -0.07 0.00 0.00 3.61 0.00 0.00 35.95 39.38 1r95 h PHE 71 CO -0.02 0.87 -1.20 1.28 -1.61 0.00 0.00 178.31 177.63 1r95 n LEU 72 N -3.88 0.56 -4.70 1.54 4.77 -1.06 -4.92 117.00 109.31 1r95 n LEU 72 Ca -0.03 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.52 1r95 n LEU 72 Cb 0.64 -0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 41.63 1r95 n LEU 72 CO 0.46 0.02 1.35 -0.67 -1.33 0.00 0.00 177.39 177.21 1r95 n ASP 73 N -2.09 3.81 0.00 -1.43 4.64 -0.74 -1.51 116.55 119.23 1r95 n ASP 73 Ca 0.01 1.05 0.00 0.00 -1.38 0.00 0.00 54.79 54.47 1r95 n ASP 73 Cb 0.47 -1.54 0.00 0.00 -1.04 0.00 0.00 41.12 39.01 1r95 n ASP 73 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1r95 n GLY 74 N 3.90 0.73 3.75 0.27 0.00 -0.45 -5.01 105.19 108.38 1r95 n GLY 74 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1r95 n GLY 74 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1r95 s THR 75 N -2.40 2.56 -0.31 2.61 2.01 -0.57 -4.48 115.64 115.06 1r95 s THR 75 Ca 0.00 0.48 -0.03 0.00 0.31 0.00 0.00 61.69 62.44 1r95 s THR 75 Cb 0.00 -3.31 0.05 0.00 0.01 0.00 0.00 72.50 69.25 1r95 s THR 75 CO 0.00 0.08 0.04 -1.58 -0.69 0.00 0.00 174.62 172.46 1r95 s GLN 76 N -0.48 2.51 -0.26 4.92 -0.44 -0.34 -1.57 119.66 123.99 1r95 s GLN 76 Ca 0.59 -1.23 -0.29 0.00 -2.50 0.00 0.00 55.36 51.94 1r95 s GLN 76 Cb -0.43 -3.28 0.01 0.00 -1.64 0.00 0.00 33.01 27.68 1r95 s GLN 76 CO 0.45 -0.63 1.04 -1.17 0.50 0.00 0.00 175.29 175.47 1r95 s LEU 77 N 1.31 4.05 0.30 3.68 2.96 -0.32 -1.21 118.68 129.45 1r95 s LEU 77 Ca -0.04 1.26 0.10 0.00 -0.22 0.00 0.00 54.13 55.23 1r95 s LEU 77 Cb -0.20 -3.52 -0.05 0.00 0.50 0.00 0.00 46.19 42.93 1r95 s LEU 77 CO 0.00 -0.72 -0.03 -0.62 -1.32 0.00 0.00 176.35 173.66 1r95 s ASP 78 N 1.34 4.23 -0.14 3.68 -1.08 0.46 -1.13 116.67 124.02 1r95 s ASP 78 Ca 0.44 -0.86 0.00 0.00 -0.52 0.00 0.00 52.55 51.61 1r95 s ASP 78 Cb -0.14 -0.61 0.03 0.00 -1.46 0.00 0.00 42.92 40.73 1r95 s ASP 78 CO 0.09 -0.10 -0.11 0.12 0.52 0.00 0.00 175.17 175.69 1r95 s PHE 79 N -2.44 1.91 0.12 -5.34 5.36 -1.26 -1.06 117.98 115.28 1r95 s PHE 79 Ca 0.33 -1.08 0.08 0.00 -0.96 0.00 0.00 56.93 55.30 1r95 s PHE 79 Cb -0.04 -1.45 -0.04 0.00 -0.34 0.00 0.00 43.02 41.16 1r95 s PHE 79 CO 0.19 -0.62 -0.19 0.14 -1.46 0.00 0.00 175.22 173.28 1r95 s VAL 80 N 1.57 1.72 -0.25 3.12 -7.23 -0.67 -4.71 120.40 113.95 1r95 s VAL 80 Ca 0.04 -1.68 -0.02 0.00 -1.81 0.00 0.00 61.98 58.51 1r95 s VAL 80 Cb -0.13 -1.65 0.03 0.00 0.56 0.00 0.00 36.38 35.19 1r95 s VAL 80 CO -0.09 -0.17 -0.05 -0.75 -0.31 0.00 0.00 175.10 173.72 1r95 s LYS 81 N -2.25 2.80 -0.26 4.82 2.20 -1.26 -1.40 119.74 124.38 1r95 s LYS 81 Ca 0.10 -1.00 -0.01 0.00 -0.36 0.00 0.00 55.97 54.69 1r95 s LYS 81 Cb -0.08 -3.00 0.08 0.00 -1.51 0.00 0.00 37.83 33.32 1r95 s LYS 81 CO 0.05 -0.42 0.06 -2.00 -0.36 0.00 0.00 175.35 172.69 1r95 s GLU 82 N 1.32 0.75 7.78 4.03 2.56 0.38 -4.99 118.70 130.54 1r95 s GLU 82 Ca -0.00 -0.82 0.00 0.00 0.00 0.00 0.00 54.97 54.15 1r95 s GLU 82 Cb -0.17 -2.05 0.00 0.00 2.00 0.00 0.00 34.13 33.91 1r95 s GLU 82 CO -0.04 -0.84 0.00 0.41 -0.56 0.00 0.00 175.26 174.23 1r95 n GLY 83 N 4.92 2.97 0.54 -1.50 0.00 -1.26 -0.76 105.19 110.09 1r95 n GLY 83 Ca -0.05 -0.22 0.12 0.00 0.00 0.00 0.00 46.02 45.86 1r95 n GLY 83 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1r95 n LEU 84 N 0.00 1.63 -4.54 0.99 7.99 -1.26 -4.90 117.00 116.92 1r95 n LEU 84 Ca 0.00 -0.63 -0.34 0.00 -0.01 0.00 0.00 56.01 55.04 1r95 n LEU 84 Cb 0.00 -0.06 -0.12 0.00 -0.11 0.00 0.00 43.42 43.13 1r95 n LEU 84 CO 0.00 0.31 -0.39 0.20 -1.51 0.00 0.00 177.39 176.01 1r95 s ASN 85 N -1.76 4.57 -0.08 -1.43 0.01 0.06 -5.09 114.94 111.22 1r95 s ASN 85 Ca 0.35 -0.08 -0.03 0.00 -0.71 0.00 0.00 52.86 52.38 1r95 s ASN 85 Cb 0.19 -1.31 0.04 0.00 0.41 0.00 0.00 41.25 40.58 1r95 s ASN 85 CO 0.30 0.30 0.16 -0.70 -1.51 0.00 0.00 177.10 175.65 1r95 s GLU 86 N -0.46 0.07 0.00 -0.60 2.12 -1.26 0.14 118.70 118.71 1r95 s GLU 86 Ca 0.07 0.47 0.00 0.00 0.36 0.00 0.00 54.97 55.87 1r95 s GLU 86 Cb -0.12 -0.21 0.00 0.00 0.26 0.00 0.00 34.13 34.06 1r95 s GLU 86 CO 0.02 -0.23 0.00 0.41 -0.54 0.00 0.00 175.26 174.92 1r95 n GLY 87 N 4.73 -1.29 3.80 -1.50 0.00 -0.50 -5.01 105.19 105.42 1r95 n GLY 87 Ca -0.16 -1.03 -0.34 0.00 0.00 0.00 0.00 46.02 44.49 1r95 n GLY 87 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1r95 s PHE 88 N -2.11 3.01 -0.09 1.61 0.40 -1.26 -1.67 117.98 117.88 1r95 s PHE 88 Ca 0.00 1.56 -0.05 0.00 -0.60 0.00 0.00 56.93 57.85 1r95 s PHE 88 Cb 0.00 -3.05 0.04 0.00 0.51 0.00 0.00 43.02 40.52 1r95 s PHE 88 CO 0.00 -0.86 0.20 0.21 0.70 0.00 0.00 175.22 175.47 1r95 s LYS 89 N -3.38 0.17 -0.14 0.44 2.20 -0.22 -4.91 119.74 113.90 1r95 s LYS 89 Ca 0.66 0.43 -0.05 0.00 -0.36 0.00 0.00 55.97 56.66 1r95 s LYS 89 Cb -0.16 -0.11 -0.04 0.00 -1.51 0.00 0.00 37.83 36.02 1r95 s LYS 89 CO 0.23 -0.14 0.02 -0.06 -0.36 0.00 0.00 175.35 175.04 1r95 s PHE 90 N 1.04 3.19 0.09 4.03 0.40 -1.26 -0.41 117.98 125.06 1r95 s PHE 90 Ca -0.08 0.06 0.07 0.00 -0.60 0.00 0.00 56.93 56.38 1r95 s PHE 90 Cb -0.09 -1.94 -0.03 0.00 0.51 0.00 0.00 43.02 41.46 1r95 s PHE 90 CO -0.06 0.26 -0.19 0.99 0.70 0.00 0.00 175.22 176.92 1r95 s THR 91 N -0.15 1.52 -0.02 0.64 2.01 -0.35 -4.97 115.64 114.33 1r95 s THR 91 Ca 0.05 -1.46 0.00 0.00 0.31 0.00 0.00 61.69 60.60 1r95 s THR 91 Cb -0.12 -1.40 0.03 0.00 0.01 0.00 0.00 72.50 71.01 1r95 s THR 91 CO 0.02 -0.11 0.01 0.21 -0.69 0.00 0.00 174.62 174.06 1r95 s ASN 92 N -1.84 0.25 0.09 3.53 3.84 -1.26 -1.20 114.94 118.36 1r95 s ASN 92 Ca 0.04 -0.00 -0.29 0.00 0.21 0.00 0.00 52.86 52.82 1r95 s ASN 92 Cb -0.10 -0.14 -0.14 0.00 -0.55 0.00 0.00 41.25 40.32 1r95 s ASN 92 CO 0.04 -0.10 1.65 1.55 -2.79 0.00 0.00 177.10 177.45 1r95 h PRO 93 N 7.16 -0.55 -0.88 0.43 0.13 -1.99 -3.23 132.00 133.08 1r95 h PRO 93 Ca -0.43 0.04 0.23 0.00 -0.87 0.00 0.00 66.00 64.97 1r95 h PRO 93 Cb 1.13 0.12 -0.14 0.00 0.13 0.00 0.00 31.00 32.25 1r95 h PRO 93 CO 0.48 -0.36 0.29 -0.91 -0.23 0.00 0.00 178.00 177.27 1r95 h ASN 94 N -0.57 0.11 -3.97 1.44 -0.26 -1.96 -3.41 115.58 106.95 1r95 h ASN 94 Ca -0.02 0.18 -0.47 0.00 -0.56 0.00 0.00 56.30 55.44 1r95 h ASN 94 Cb 0.50 0.22 0.08 0.00 -1.06 0.00 0.00 38.32 38.06 1r95 h ASN 94 CO -0.01 -0.11 0.27 -0.69 -1.06 0.00 0.00 177.43 175.83 1r95 s VAL 95 N -5.91 2.55 0.32 2.81 1.01 -1.22 -5.11 120.40 114.84 1r95 s VAL 95 Ca -0.12 -0.11 -0.09 0.00 0.00 0.00 0.00 61.98 61.66 1r95 s VAL 95 Cb 0.26 -3.11 0.01 0.00 0.00 0.00 0.00 36.38 33.53 1r95 s VAL 95 CO 0.77 -0.13 0.54 -1.59 0.00 0.00 0.00 175.10 174.69 1r95 s LYS 96 N -5.28 1.84 0.00 2.72 -2.85 -1.26 -4.80 119.74 110.11 1r95 s LYS 96 Ca 0.59 -1.50 0.00 0.00 -1.00 0.00 0.00 55.97 54.06 1r95 s LYS 96 Cb -0.11 0.49 0.00 0.00 -2.06 0.00 0.00 37.83 36.15 1r95 s LYS 96 CO 0.46 -0.79 0.00 -3.47 0.10 0.00 0.00 175.35 171.66