#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e5h n SER -5 N 0.00 -4.82 -0.09 1.61 2.88 -1.26 -4.91 113.62 107.03 2e5h n SER -5 Ca 0.00 -0.70 -0.16 0.00 -1.33 0.00 0.00 58.87 56.68 2e5h n SER -5 Cb 0.00 -4.30 -0.10 0.00 -0.75 0.00 0.00 64.21 59.06 2e5h n SER -5 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 2e5h h SER -4 N -2.25 0.00 -0.58 -3.46 4.64 -2.10 -3.46 113.55 106.33 2e5h h SER -4 Ca -0.58 -0.54 -0.02 0.00 -0.47 0.00 0.00 61.79 60.18 2e5h h SER -4 Cb 1.37 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.29 2e5h h SER -4 CO 0.62 1.17 -0.29 -0.83 -0.87 0.00 0.00 176.83 176.63 2e5h s GLY -3 N -4.49 -1.53 -0.21 -0.77 0.00 -1.26 -5.14 107.32 93.92 2e5h s GLY -3 Ca -0.22 0.38 -0.09 0.00 0.00 0.00 0.00 44.72 44.80 2e5h s GLY -3 CO 0.52 4.00 0.10 -0.45 0.00 0.00 0.00 173.10 177.27 2e5h s SER -2 N 1.32 5.78 -0.61 1.64 0.15 -1.26 -4.99 113.70 115.73 2e5h s SER -2 Ca 0.22 0.07 -0.02 0.00 0.70 0.00 0.00 55.95 56.92 2e5h s SER -2 Cb 0.04 -2.01 0.36 0.00 -1.71 0.00 0.00 66.02 62.69 2e5h s SER -2 CO -0.09 0.12 2.08 -1.54 1.20 0.00 0.00 173.24 175.01 2e5h n SER -1 N 3.90 7.35 -2.14 5.45 3.41 -1.26 -4.86 113.62 125.47 2e5h n SER -1 Ca -0.16 -3.61 0.00 0.00 -0.26 0.00 0.00 58.87 54.84 2e5h n SER -1 Cb 0.52 -1.03 0.00 0.00 -0.26 0.00 0.00 64.21 63.44 2e5h n SER -1 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2e5h n GLY 0 N -0.48 0.37 0.43 5.00 0.00 -1.26 -4.96 105.19 104.30 2e5h n GLY 0 Ca 0.54 -1.71 -0.12 0.00 0.00 0.00 0.00 46.02 44.73 2e5h n GLY 0 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2e5h h MET 1 N 0.00 -0.40 -7.18 1.61 1.85 -2.07 -3.41 114.93 105.34 2e5h h MET 1 Ca 0.00 0.03 -0.45 0.00 -0.61 0.00 0.00 59.70 58.67 2e5h h MET 1 Cb 0.00 0.09 0.21 0.00 0.43 0.00 0.00 31.60 32.33 2e5h h MET 1 CO 0.00 -0.26 0.05 -1.54 -0.40 0.00 0.00 176.91 174.76 2e5h s SER 2 N -5.01 1.32 0.00 1.39 1.04 -1.26 -5.01 113.70 106.18 2e5h s SER 2 Ca -0.15 1.59 0.00 0.00 0.48 0.00 0.00 55.95 57.87 2e5h s SER 2 Cb 0.10 -2.31 0.00 0.00 0.10 0.00 0.00 66.02 63.90 2e5h s SER 2 CO 0.63 -4.00 0.00 0.61 0.98 0.00 0.00 173.24 171.46 2e5h n GLY 3 N 0.59 3.76 3.32 7.32 0.00 -1.26 -4.85 105.19 114.07 2e5h n GLY 3 Ca 0.04 -0.69 -0.29 0.00 0.00 0.00 0.00 46.02 45.07 2e5h n GLY 3 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2e5h n GLY 4 N 0.00 -2.50 3.37 -0.02 0.00 -1.26 -5.04 105.19 99.74 2e5h n GLY 4 Ca 0.00 -1.05 -0.21 0.00 0.00 0.00 0.00 46.02 44.76 2e5h n GLY 4 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2e5h s LEU 5 N -4.26 2.52 -0.44 0.99 2.96 -1.26 -4.84 118.68 114.35 2e5h s LEU 5 Ca 0.61 -0.97 -0.01 0.00 -0.22 0.00 0.00 54.13 53.55 2e5h s LEU 5 Cb -0.17 -0.83 -0.01 0.00 0.50 0.00 0.00 46.19 45.68 2e5h s LEU 5 CO 0.63 -0.07 0.37 0.00 -1.32 0.00 0.00 176.35 175.96 2e5h n ALA 6 N -0.20 -0.93 -2.06 5.97 0.00 -1.26 -4.91 120.51 117.12 2e5h n ALA 6 Ca -0.09 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.07 2e5h n ALA 6 Cb 0.59 -1.66 -0.06 0.00 0.00 0.00 0.00 19.45 18.33 2e5h n ALA 6 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2e5h s PRO 7 N -4.19 2.52 -0.05 0.00 0.04 -1.26 -4.92 135.00 127.13 2e5h s PRO 7 Ca 0.06 -0.85 0.04 0.00 0.04 0.00 0.00 61.00 60.29 2e5h s PRO 7 Cb -0.01 -5.18 -0.03 0.00 0.04 0.00 0.00 34.50 29.33 2e5h s PRO 7 CO 0.28 -3.77 -0.16 -1.54 0.04 0.00 0.00 177.00 171.85 2e5h s SER 8 N 7.04 3.89 0.17 6.66 1.04 -0.57 -4.47 113.70 127.46 2e5h s SER 8 Ca 0.69 -0.23 -0.27 0.00 0.48 0.00 0.00 55.95 56.62 2e5h s SER 8 Cb -0.03 -0.77 0.02 0.00 0.10 0.00 0.00 66.02 65.34 2e5h s SER 8 CO 0.08 0.34 1.56 0.50 0.98 0.00 0.00 173.24 176.70 2e5h h LYS 9 N 5.36 -0.19 -0.94 4.02 1.63 -1.92 -0.79 116.57 123.74 2e5h h LYS 9 Ca -0.46 0.01 0.13 0.00 -0.85 0.00 0.00 60.65 59.49 2e5h h LYS 9 Cb 1.15 0.04 -0.15 0.00 -0.60 0.00 0.00 32.23 32.68 2e5h h LYS 9 CO 0.50 -0.13 -0.43 0.66 -3.45 0.00 0.00 179.45 176.60 2e5h h SER 10 N -0.20 -1.58 -3.29 4.20 4.64 -1.85 -3.41 113.55 112.06 2e5h h SER 10 Ca 0.18 0.31 -0.58 0.00 -0.47 0.00 0.00 61.79 61.23 2e5h h SER 10 Cb 0.55 0.78 0.16 0.00 -0.31 0.00 0.00 62.40 63.58 2e5h h SER 10 CO -0.74 -0.28 -0.02 0.41 -0.87 0.00 0.00 176.83 175.33 2e5h n THR 11 N -5.42 3.05 -3.98 2.95 -1.04 -0.30 -3.99 114.28 105.54 2e5h n THR 11 Ca 0.07 -0.50 -0.30 0.00 -2.04 0.00 0.00 64.05 61.28 2e5h n THR 11 Cb 0.37 -1.01 -0.16 0.00 -1.82 0.00 0.00 70.33 67.71 2e5h n THR 11 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2e5h s VAL 12 N -1.53 1.58 -0.67 12.58 1.01 0.16 -3.81 120.40 129.72 2e5h s VAL 12 Ca 0.71 -0.96 -0.27 0.00 0.00 0.00 0.00 61.98 61.47 2e5h s VAL 12 Cb -0.45 -1.66 0.01 0.00 0.00 0.00 0.00 36.38 34.27 2e5h s VAL 12 CO 0.51 0.17 1.53 -0.47 0.00 0.00 0.00 175.10 176.83 2e5h s TYR 13 N 1.43 2.03 -0.00 5.22 6.14 -0.18 -2.08 117.35 129.91 2e5h s TYR 13 Ca -0.01 0.34 0.01 0.00 0.64 0.00 0.00 57.07 58.05 2e5h s TYR 13 Cb -0.16 -4.39 -0.04 0.00 0.42 0.00 0.00 41.96 37.79 2e5h s TYR 13 CO -0.08 -2.16 0.00 0.08 0.64 0.00 0.00 175.55 174.03 2e5h s VAL 14 N 7.09 4.17 0.19 3.14 1.01 -0.41 -0.88 120.40 134.72 2e5h s VAL 14 Ca 0.50 -0.59 0.01 0.00 0.00 0.00 0.00 61.98 61.90 2e5h s VAL 14 Cb -0.10 -2.86 -0.05 0.00 0.00 0.00 0.00 36.38 33.38 2e5h s VAL 14 CO 0.18 0.38 0.04 -0.44 0.00 0.00 0.00 175.10 175.27 2e5h s SER 15 N -1.54 0.99 -1.21 3.32 0.01 0.32 -0.24 113.70 115.36 2e5h s SER 15 Ca 0.19 -1.24 -0.06 0.00 1.31 0.00 0.00 55.95 56.15 2e5h s SER 15 Cb -0.12 0.18 0.01 0.00 0.21 0.00 0.00 66.02 66.30 2e5h s SER 15 CO 0.10 -0.65 0.80 0.59 0.41 0.00 0.00 173.24 174.49 2e5h n ASN 16 N -0.27 -5.57 -4.85 2.44 4.13 -1.26 -2.47 115.26 107.41 2e5h n ASN 16 Ca -0.04 -0.37 -0.36 0.00 1.68 0.00 0.00 54.58 55.49 2e5h n ASN 16 Cb 0.64 -4.28 -0.06 0.00 -1.54 0.00 0.00 39.78 34.55 2e5h n ASN 16 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2e5h s LEU 17 N -6.03 4.38 -1.19 3.41 1.43 -1.17 -4.54 118.68 114.97 2e5h s LEU 17 Ca 0.40 0.97 -0.23 0.00 -1.03 0.00 0.00 54.13 54.24 2e5h s LEU 17 Cb -0.17 -3.01 -0.09 0.00 0.03 0.00 0.00 46.19 42.95 2e5h s LEU 17 CO 0.49 0.18 1.94 -2.16 0.23 0.00 0.00 176.35 177.03 2e5h s PRO 18 N -1.70 2.48 0.57 1.29 0.04 -1.26 -3.77 135.00 132.66 2e5h s PRO 18 Ca 0.33 -1.18 0.43 0.00 0.04 0.00 0.00 61.00 60.62 2e5h s PRO 18 Cb -0.15 -5.25 1.50 0.00 0.04 0.00 0.00 34.50 30.65 2e5h s PRO 18 CO 0.18 -4.01 1.50 0.27 0.04 0.00 0.00 177.00 174.98 2e5h h PHE 19 N 9.71 0.00 -0.97 0.56 -0.00 -1.94 0.86 116.94 125.15 2e5h h PHE 19 Ca 0.22 0.00 0.29 0.00 -0.00 0.00 0.00 57.97 58.48 2e5h h PHE 19 Cb 0.94 0.00 -0.18 0.00 -0.00 0.00 0.00 35.95 36.71 2e5h h PHE 19 CO 1.21 0.00 0.14 0.77 -0.00 0.00 0.00 178.31 180.43 2e5h h SER 20 N 0.00 -0.29 -2.14 -0.68 0.02 -2.04 -3.40 113.55 105.03 2e5h h SER 20 Ca 0.80 0.27 -0.18 0.00 -0.84 0.00 0.00 61.79 61.83 2e5h h SER 20 Cb 3.49 0.42 0.10 0.00 0.14 0.00 0.00 62.40 66.55 2e5h h SER 20 CO -0.01 -0.34 -0.02 0.18 -1.14 0.00 0.00 176.83 175.49 2e5h n LEU 21 N -5.42 0.00 -4.26 5.07 4.77 0.29 -5.07 117.00 112.39 2e5h n LEU 21 Ca 0.25 -0.49 -0.17 0.00 -0.03 0.00 0.00 56.01 55.58 2e5h n LEU 21 Cb 0.84 -0.49 -0.11 0.00 -2.33 0.00 0.00 43.42 41.34 2e5h n LEU 21 CO -0.04 -1.90 -0.44 0.28 -1.33 0.00 0.00 177.39 173.97 2e5h s THR 22 N -1.72 1.34 0.24 -5.08 -1.32 -1.26 -4.99 115.64 102.84 2e5h s THR 22 Ca 0.33 -1.87 0.05 0.00 -1.21 0.00 0.00 61.69 58.99 2e5h s THR 22 Cb -0.05 -1.68 0.29 0.00 -1.51 0.00 0.00 72.50 69.56 2e5h s THR 22 CO 0.27 -0.53 1.14 0.59 -2.21 0.00 0.00 174.62 173.88 2e5h n ASN 23 N 0.22 0.01 -0.07 8.08 4.13 -1.26 0.20 115.26 126.57 2e5h n ASN 23 Ca -0.13 1.22 -0.08 0.00 1.68 0.00 0.00 54.58 57.28 2e5h n ASN 23 Cb 0.58 -0.49 -0.01 0.00 -1.54 0.00 0.00 39.78 38.33 2e5h n ASN 23 CO 0.00 0.00 0.00 0.78 0.28 0.00 0.00 177.26 178.32 2e5h h ASN 24 N 0.00 0.09 0.49 6.41 4.21 -2.00 -1.59 115.58 123.19 2e5h h ASN 24 Ca 0.49 0.03 -0.02 0.00 1.21 0.00 0.00 56.30 58.02 2e5h h ASN 24 Cb 1.11 0.03 -0.02 0.00 -1.12 0.00 0.00 38.32 38.32 2e5h h ASN 24 CO -0.65 0.08 -0.43 0.44 -1.29 0.00 0.00 177.43 175.58 2e5h h ASP 25 N 0.21 -1.17 -0.69 5.81 3.32 0.19 -2.80 116.42 121.29 2e5h h ASP 25 Ca 0.13 0.09 0.14 0.00 0.02 0.00 0.00 57.03 57.41 2e5h h ASP 25 Cb 0.10 0.38 -0.13 0.00 0.22 0.00 0.00 39.33 39.90 2e5h h ASP 25 CO -0.14 -0.59 -0.13 -0.07 -1.72 0.00 0.00 179.24 176.58 2e5h h LEU 26 N -0.91 -0.57 -0.91 1.55 3.38 -1.36 -0.16 115.31 116.33 2e5h h LEU 26 Ca -0.06 0.20 0.14 0.00 0.09 0.00 0.00 57.88 58.25 2e5h h LEU 26 Cb 0.77 0.40 -0.15 0.00 0.09 0.00 0.00 40.66 41.78 2e5h h LEU 26 CO -0.02 -0.21 -0.39 0.22 0.09 0.00 0.00 178.44 178.12 2e5h h TYR 27 N 0.02 -1.12 0.32 1.13 5.03 -1.02 0.39 116.97 121.71 2e5h h TYR 27 Ca 0.34 0.10 -0.02 0.00 2.58 0.00 0.00 58.73 61.74 2e5h h TYR 27 Cb 0.54 0.62 0.00 0.00 1.55 0.00 0.00 36.73 39.45 2e5h h TYR 27 CO -0.52 -0.40 -0.15 0.00 -1.32 0.00 0.00 178.16 175.77 2e5h h ARG 28 N -0.04 -0.41 -0.90 1.82 3.08 -1.04 -0.67 114.38 116.22 2e5h h ARG 28 Ca 0.31 0.03 0.29 0.00 0.07 0.00 0.00 59.98 60.68 2e5h h ARG 28 Cb 0.58 0.09 -0.17 0.00 0.08 0.00 0.00 29.97 30.56 2e5h h ARG 28 CO -0.92 -0.08 0.18 -0.89 -1.07 0.00 0.00 179.97 177.19 2e5h n ILE 29 N -5.09 -0.38 0.04 2.04 5.41 -0.22 0.20 119.36 121.36 2e5h n ILE 29 Ca -0.09 1.92 -0.08 0.00 1.00 0.00 0.00 62.75 65.51 2e5h n ILE 29 Cb 0.27 -2.91 -0.13 0.00 -0.71 0.00 0.00 39.64 36.16 2e5h n ILE 29 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 176.55 176.29 2e5h h PHE 30 N 0.00 0.02 -0.92 1.39 0.04 -0.96 -3.31 116.94 113.20 2e5h h PHE 30 Ca 0.62 -0.01 0.19 0.00 2.80 0.00 0.00 57.97 61.56 2e5h h PHE 30 Cb 1.43 -0.00 -0.08 0.00 2.20 0.00 0.00 35.95 39.50 2e5h h PHE 30 CO -0.30 1.01 0.60 1.03 -0.60 0.00 0.00 178.31 180.04 2e5h h SER 31 N 0.00 0.54 -1.54 2.17 0.87 0.39 -0.05 113.55 115.93 2e5h h SER 31 Ca -0.08 0.05 0.45 0.00 -1.23 0.00 0.00 61.79 60.97 2e5h h SER 31 Cb 1.84 -0.05 -0.06 0.00 -0.44 0.00 0.00 62.40 63.69 2e5h h SER 31 CO 0.12 0.23 1.17 0.07 -0.53 0.00 0.00 176.83 177.88 2e5h h LYS 32 N 0.55 0.00 0.00 2.24 2.10 -1.46 -2.57 116.57 117.43 2e5h h LYS 32 Ca 0.49 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.14 2e5h h LYS 32 Cb 1.01 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.34 2e5h h LYS 32 CO -0.22 0.00 -0.89 0.66 -2.00 0.00 0.00 179.45 177.00 2e5h n TYR 33 N -3.93 0.01 -4.15 0.07 4.01 -0.06 -5.04 117.16 108.07 2e5h n TYR 33 Ca 0.34 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.93 2e5h n TYR 33 Cb 1.65 -0.45 -0.13 0.00 -0.31 0.00 0.00 39.34 40.09 2e5h n TYR 33 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 2e5h s GLY 34 N -4.69 0.37 0.17 2.72 0.00 -0.97 -4.95 107.32 99.97 2e5h s GLY 34 Ca -0.26 -0.44 -0.34 0.00 0.00 0.00 0.00 44.72 43.69 2e5h s GLY 34 CO 0.38 -0.42 1.46 1.17 0.00 0.00 0.00 173.10 175.68 2e5h n LYS 35 N 2.43 1.85 -3.82 2.90 4.81 -1.26 -3.78 118.16 121.28 2e5h n LYS 35 Ca -0.16 0.66 -0.36 0.00 -0.87 0.00 0.00 58.31 57.58 2e5h n LYS 35 Cb 0.57 -2.36 -0.07 0.00 0.02 0.00 0.00 35.03 33.19 2e5h n LYS 35 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2e5h s VAL 36 N 0.51 5.47 -0.16 3.15 1.01 -1.26 -2.08 120.40 127.04 2e5h s VAL 36 Ca 0.77 0.21 0.02 0.00 0.00 0.00 0.00 61.98 62.98 2e5h s VAL 36 Cb -0.74 -3.43 -0.11 0.00 0.00 0.00 0.00 36.38 32.10 2e5h s VAL 36 CO 0.43 0.55 -0.13 0.52 0.00 0.00 0.00 175.10 176.48 2e5h n VAL 37 N 2.57 0.93 -3.87 2.92 0.31 -1.06 -4.90 118.33 115.22 2e5h n VAL 37 Ca -0.18 -0.38 -0.11 0.00 -0.01 0.00 0.00 64.34 63.66 2e5h n VAL 37 Cb 0.54 -1.04 -0.10 0.00 -0.91 0.00 0.00 33.84 32.33 2e5h n VAL 37 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2e5h s LYS 38 N -2.33 0.53 0.15 5.55 -0.14 -1.24 -5.08 119.74 117.18 2e5h s LYS 38 Ca -0.21 -0.47 0.10 0.00 -1.36 0.00 0.00 55.97 54.03 2e5h s LYS 38 Cb 0.05 0.22 -0.04 0.00 -1.68 0.00 0.00 37.83 36.38 2e5h s LYS 38 CO 0.39 -0.13 -0.18 0.08 -0.76 0.00 0.00 175.35 174.75 2e5h s VAL 39 N -1.67 2.75 -0.11 3.17 1.01 -1.26 -1.73 120.40 122.57 2e5h s VAL 39 Ca -0.12 -1.70 -0.09 0.00 0.00 0.00 0.00 61.98 60.06 2e5h s VAL 39 Cb -0.06 -2.30 0.03 0.00 0.00 0.00 0.00 36.38 34.05 2e5h s VAL 39 CO 0.00 -0.01 0.28 -0.89 0.00 0.00 0.00 175.10 174.48 2e5h s THR 40 N -1.42 -0.00 0.02 3.92 2.01 0.86 -4.95 115.64 116.07 2e5h s THR 40 Ca 0.20 0.01 0.03 0.00 0.31 0.00 0.00 61.69 62.25 2e5h s THR 40 Cb -0.09 -0.40 -0.01 0.00 0.01 0.00 0.00 72.50 72.00 2e5h s THR 40 CO 0.11 0.01 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.31 2e5h s ILE 41 N 0.26 0.84 0.76 1.82 1.01 -1.26 0.94 121.20 125.57 2e5h s ILE 41 Ca -0.01 -0.71 -0.10 0.00 0.00 0.00 0.00 60.65 59.83 2e5h s ILE 41 Cb -0.03 -0.75 0.07 0.00 0.01 0.00 0.00 42.46 41.76 2e5h s ILE 41 CO -0.01 0.05 1.11 -0.04 0.00 0.00 0.00 174.94 176.05 2e5h s MET 42 N -0.74 2.08 -0.28 2.79 -1.94 -0.61 -4.88 119.30 115.71 2e5h s MET 42 Ca 0.01 -0.04 -0.13 0.00 -1.71 0.00 0.00 55.69 53.83 2e5h s MET 42 Cb -0.06 -2.04 0.10 0.00 2.01 0.00 0.00 34.83 34.84 2e5h s MET 42 CO 0.00 -1.43 0.66 0.15 -0.01 0.00 0.00 175.02 174.39 2e5h s LYS 43 N -5.43 0.63 1.20 2.03 3.01 -1.26 -4.00 119.74 115.92 2e5h s LYS 43 Ca 0.61 1.32 -0.19 0.00 -1.01 0.00 0.00 55.97 56.71 2e5h s LYS 43 Cb -0.11 0.49 0.28 0.00 -1.01 0.00 0.00 37.83 37.48 2e5h s LYS 43 CO 0.47 -0.18 1.09 0.34 0.51 0.00 0.00 175.35 177.59 2e5h s ASP 44 N 2.26 0.94 -0.13 2.83 2.15 -0.41 -4.84 116.67 119.47 2e5h s ASP 44 Ca -0.08 0.71 -0.14 0.00 0.43 0.00 0.00 52.55 53.48 2e5h s ASP 44 Cb -0.09 -1.02 -0.05 0.00 -0.30 0.00 0.00 42.92 41.47 2e5h s ASP 44 CO -0.19 -4.12 -0.28 0.29 -0.17 0.00 0.00 175.17 170.70 2e5h n LYS 45 N -4.77 0.42 0.36 4.34 5.02 -1.26 -3.55 118.16 118.73 2e5h n LYS 45 Ca 0.12 0.17 -0.17 0.00 -2.02 0.00 0.00 58.31 56.40 2e5h n LYS 45 Cb 0.59 -1.24 -0.09 0.00 -0.02 0.00 0.00 35.03 34.28 2e5h n LYS 45 CO 0.00 0.00 0.00 0.22 -0.52 0.00 0.00 177.40 177.10 2e5h h ASP 46 N -0.79 -0.77 0.08 4.39 3.58 -2.01 -3.28 116.42 117.63 2e5h h ASP 46 Ca -0.05 0.01 -0.24 0.00 0.42 0.00 0.00 57.03 57.17 2e5h h ASP 46 Cb 0.85 0.20 0.02 0.00 1.72 0.00 0.00 39.33 42.12 2e5h h ASP 46 CO -0.03 -0.51 -1.00 0.71 -2.88 0.00 0.00 179.24 175.53 2e5h h THR 47 N -0.96 1.35 -3.33 2.25 1.35 -2.00 -3.48 112.91 108.08 2e5h h THR 47 Ca -0.09 -2.35 -0.12 0.00 -0.55 0.00 0.00 66.41 63.30 2e5h h THR 47 Cb 0.71 2.72 0.06 0.00 -1.73 0.00 0.00 68.15 69.91 2e5h h THR 47 CO 0.15 0.70 -0.28 -1.14 -0.25 0.00 0.00 175.52 174.70 2e5h n ARG 48 N -3.96 -2.43 -4.20 4.72 0.00 -1.23 -4.99 116.66 104.56 2e5h n ARG 48 Ca -0.13 0.31 -0.15 0.00 -0.00 0.00 0.00 57.85 57.88 2e5h n ARG 48 Cb 0.87 -3.73 -0.11 0.00 0.00 0.00 0.00 32.46 29.49 2e5h n ARG 48 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 2e5h s LYS 49 N -4.51 0.93 0.14 -0.14 -0.14 -1.26 -4.75 119.74 110.00 2e5h s LYS 49 Ca 0.00 -1.23 -0.14 0.00 -1.36 0.00 0.00 55.97 53.24 2e5h s LYS 49 Cb -0.00 -0.63 0.00 0.00 -1.68 0.00 0.00 37.83 35.52 2e5h s LYS 49 CO 0.27 0.10 1.61 1.03 -0.76 0.00 0.00 175.35 177.59 2e5h h SER 50 N 3.39 0.73 -1.34 2.83 0.87 -1.92 -1.08 113.55 117.02 2e5h h SER 50 Ca -0.38 -0.28 -0.29 0.00 -1.23 0.00 0.00 61.79 59.62 2e5h h SER 50 Cb 1.19 -0.19 -0.06 0.00 -0.44 0.00 0.00 62.40 62.89 2e5h h SER 50 CO 0.55 0.82 -0.31 0.29 -0.53 0.00 0.00 176.83 177.65 2e5h n LYS 51 N -4.44 -1.06 0.00 2.24 5.02 -1.26 -2.99 118.16 115.67 2e5h n LYS 51 Ca 0.00 0.84 0.00 0.00 -2.02 0.00 0.00 58.31 57.14 2e5h n LYS 51 Cb 0.26 -5.04 0.00 0.00 -0.02 0.00 0.00 35.03 30.24 2e5h n LYS 51 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2e5h n GLY 52 N -1.13 1.14 3.57 0.72 0.00 -1.25 -4.23 105.19 104.01 2e5h n GLY 52 Ca -0.15 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.38 2e5h n GLY 52 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2e5h n VAL 53 N 0.00 0.35 -3.89 1.61 0.31 -1.16 -3.07 118.33 112.49 2e5h n VAL 53 Ca 0.00 -0.25 -0.09 0.00 -0.01 0.00 0.00 64.34 63.99 2e5h n VAL 53 Cb 0.00 -1.92 -0.08 0.00 -0.91 0.00 0.00 33.84 30.93 2e5h n VAL 53 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2e5h s ALA 54 N 6.41 -0.16 -0.12 3.52 0.00 0.67 -1.58 121.76 130.50 2e5h s ALA 54 Ca 1.02 -0.59 0.01 0.00 0.00 0.00 0.00 51.96 52.40 2e5h s ALA 54 Cb -0.69 0.38 -0.01 0.00 0.00 0.00 0.00 23.12 22.80 2e5h s ALA 54 CO 0.47 -0.43 -0.16 -0.06 0.00 0.00 0.00 175.76 175.58 2e5h s PHE 55 N -3.36 2.75 -0.09 0.00 0.40 0.27 -1.28 117.98 116.65 2e5h s PHE 55 Ca 0.01 -0.78 0.00 0.00 -0.60 0.00 0.00 56.93 55.57 2e5h s PHE 55 Cb 0.03 -1.81 -0.03 0.00 0.51 0.00 0.00 43.02 41.72 2e5h s PHE 55 CO -0.08 -0.29 -0.09 0.42 0.70 0.00 0.00 175.22 175.88 2e5h s ILE 56 N 0.39 3.47 -0.19 0.64 -1.09 -0.88 -0.10 121.20 123.44 2e5h s ILE 56 Ca -0.13 -0.54 -0.07 0.00 -2.23 0.00 0.00 60.65 57.68 2e5h s ILE 56 Cb -0.16 -2.43 -0.04 0.00 -1.58 0.00 0.00 42.46 38.25 2e5h s ILE 56 CO 0.06 0.56 0.04 -0.22 -1.23 0.00 0.00 174.94 174.16 2e5h s LEU 57 N -0.34 3.63 0.16 2.97 0.20 -0.70 0.39 118.68 124.99 2e5h s LEU 57 Ca 0.04 -0.01 0.06 0.00 0.69 0.00 0.00 54.13 54.92 2e5h s LEU 57 Cb -0.12 -1.92 -0.04 0.00 -0.43 0.00 0.00 46.19 43.68 2e5h s LEU 57 CO 0.02 0.14 0.03 -0.36 -0.29 0.00 0.00 176.35 175.89 2e5h s PHE 58 N 0.58 2.93 0.12 5.38 0.40 -1.26 -2.57 117.98 123.56 2e5h s PHE 58 Ca 0.02 -0.10 -0.22 0.00 -0.60 0.00 0.00 56.93 56.03 2e5h s PHE 58 Cb -0.13 -1.43 -0.04 0.00 0.51 0.00 0.00 43.02 41.93 2e5h s PHE 58 CO 0.02 0.51 1.68 1.25 0.70 0.00 0.00 175.22 179.38 2e5h h LEU 59 N 2.74 -0.37 -9.64 -0.37 5.85 -1.77 -3.44 115.31 108.30 2e5h h LEU 59 Ca -0.47 0.07 -0.59 0.00 0.84 0.00 0.00 57.88 57.73 2e5h h LEU 59 Cb 1.20 0.18 -0.11 0.00 0.37 0.00 0.00 40.66 42.30 2e5h h LEU 59 CO 0.59 -0.16 -0.60 -0.62 -0.34 0.00 0.00 178.44 177.31 2e5h s ASP 60 N -5.08 4.17 0.09 1.25 2.15 -1.26 -5.05 116.67 112.94 2e5h s ASP 60 Ca -0.14 -1.04 -0.05 0.00 0.43 0.00 0.00 52.55 51.74 2e5h s ASP 60 Cb 0.10 -0.51 -0.22 0.00 -0.30 0.00 0.00 42.92 41.99 2e5h s ASP 60 CO 0.67 -0.29 1.19 0.07 -0.17 0.00 0.00 175.17 176.64 2e5h h LYS 61 N 1.76 0.35 0.11 4.34 2.10 -1.90 -3.29 116.57 120.04 2e5h h LYS 61 Ca -0.43 -0.50 -0.01 0.00 -2.00 0.00 0.00 60.65 57.72 2e5h h LYS 61 Cb 1.25 0.17 0.00 0.00 -0.90 0.00 0.00 32.23 32.75 2e5h h LYS 61 CO 0.69 1.20 -0.05 0.22 -2.00 0.00 0.00 179.45 179.50 2e5h h ASP 62 N 0.14 -0.12 -0.74 7.07 3.58 -1.96 -2.81 116.42 121.58 2e5h h ASP 62 Ca -0.12 -0.03 0.16 0.00 0.42 0.00 0.00 57.03 57.46 2e5h h ASP 62 Cb 1.84 0.03 -0.11 0.00 1.72 0.00 0.00 39.33 42.81 2e5h h ASP 62 CO 0.19 -0.05 0.19 0.77 -2.88 0.00 0.00 179.24 177.46 2e5h h SER 63 N -0.18 0.04 0.23 2.28 4.64 -1.96 -2.21 113.55 116.40 2e5h h SER 63 Ca -0.01 0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 2e5h h SER 63 Cb 0.14 0.19 -0.04 0.00 -0.31 0.00 0.00 62.40 62.38 2e5h h SER 63 CO 0.02 -0.03 -0.48 0.00 -0.87 0.00 0.00 176.83 175.48 2e5h h ALA 64 N 1.61 -1.02 -0.68 5.18 0.00 -1.57 -2.81 119.26 119.97 2e5h h ALA 64 Ca 0.42 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 55.27 2e5h h ALA 64 Cb 0.71 0.81 -0.09 0.00 0.00 0.00 0.00 17.79 19.22 2e5h h ALA 64 CO -0.50 -1.10 -0.39 1.04 0.00 0.00 0.00 179.25 178.30 2e5h n GLN 65 N -5.21 -0.29 -0.18 0.00 6.02 -0.84 -0.58 117.38 116.31 2e5h n GLN 65 Ca -0.09 1.04 -0.05 0.00 -0.01 0.00 0.00 57.00 57.89 2e5h n GLN 65 Cb 0.39 -1.52 -0.04 0.00 1.02 0.00 0.00 30.24 30.08 2e5h n GLN 65 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 2e5h n ASN 66 N -4.87 -0.46 -0.22 1.08 2.85 -1.06 -0.32 115.26 112.26 2e5h n ASN 66 Ca 0.02 1.32 0.01 0.00 -0.11 0.00 0.00 54.58 55.83 2e5h n ASN 66 Cb 0.19 -0.37 0.13 0.00 1.24 0.00 0.00 39.78 40.97 2e5h n ASN 66 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2e5h h THR 68 N 0.42 0.00 0.00 0.00 2.02 0.12 0.15 112.91 115.62 2e5h h THR 68 Ca 0.34 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.41 2e5h h THR 68 Cb 0.45 0.36 -0.02 0.00 -1.74 0.00 0.00 68.15 67.20 2e5h h THR 68 CO -0.34 0.00 -1.48 -1.14 0.37 0.00 0.00 175.52 172.93 2e5h n ARG 69 N -2.26 2.33 -0.02 6.66 0.63 0.67 -3.82 116.66 120.86 2e5h n ARG 69 Ca -0.01 -0.02 -0.13 0.00 -0.92 0.00 0.00 57.85 56.77 2e5h n ARG 69 Cb 0.37 -1.19 -0.09 0.00 0.45 0.00 0.00 32.46 32.00 2e5h n ARG 69 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2e5h h ALA 70 N 0.43 0.02 0.00 5.13 0.00 0.20 -3.30 119.26 121.75 2e5h h ALA 70 Ca -0.16 -0.24 -0.25 0.00 0.00 0.00 0.00 54.91 54.26 2e5h h ALA 70 Cb 1.26 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.00 2e5h h ALA 70 CO 0.01 -0.23 -1.32 -0.84 0.00 0.00 0.00 179.25 176.86 2e5h h ILE 71 N -0.42 1.32 -2.75 0.00 3.07 -1.33 -3.45 117.51 113.96 2e5h h ILE 71 Ca 0.00 -3.09 -0.55 0.00 1.55 0.00 0.00 64.86 62.77 2e5h h ILE 71 Cb 0.48 2.66 0.07 0.00 -0.27 0.00 0.00 36.82 39.76 2e5h h ILE 71 CO 0.00 0.76 0.83 -3.20 -1.05 0.00 0.00 178.15 175.50 2e5h n ASN 72 N -3.22 3.47 -3.26 2.16 2.85 -1.24 -2.01 115.26 114.00 2e5h n ASN 72 Ca -0.08 1.11 -0.20 0.00 -0.11 0.00 0.00 54.58 55.30 2e5h n ASN 72 Cb 0.99 -1.51 0.07 0.00 1.24 0.00 0.00 39.78 40.57 2e5h n ASN 72 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 2e5h n ASN 73 N 2.91 -5.08 -3.94 1.20 4.13 -1.25 -4.86 115.26 108.38 2e5h n ASN 73 Ca 0.13 -0.50 -0.09 0.00 1.68 0.00 0.00 54.58 55.80 2e5h n ASN 73 Cb 0.33 -4.59 -0.09 0.00 -1.54 0.00 0.00 39.78 33.89 2e5h n ASN 73 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 2e5h s LYS 74 N -5.97 0.61 -0.30 3.52 2.47 -0.85 -5.08 119.74 114.15 2e5h s LYS 74 Ca 0.41 -0.81 -0.12 0.00 -1.56 0.00 0.00 55.97 53.89 2e5h s LYS 74 Cb -0.18 0.24 -0.04 0.00 -1.46 0.00 0.00 37.83 36.39 2e5h s LYS 74 CO 0.66 -0.15 0.23 -0.65 0.16 0.00 0.00 175.35 175.59 2e5h s GLN 75 N -2.82 3.84 -0.09 4.03 -0.21 -1.26 -2.19 119.66 120.96 2e5h s GLN 75 Ca -0.03 -0.36 0.03 0.00 0.02 0.00 0.00 55.36 55.02 2e5h s GLN 75 Cb 0.00 -3.70 0.01 0.00 1.00 0.00 0.00 33.01 30.32 2e5h s GLN 75 CO -0.06 -0.27 -0.18 -0.51 -2.12 0.00 0.00 175.29 172.16 2e5h s LEU 76 N 1.80 1.84 -1.50 2.90 1.02 -1.06 -4.71 118.68 118.96 2e5h s LEU 76 Ca 0.08 -0.43 -0.04 0.00 0.02 0.00 0.00 54.13 53.75 2e5h s LEU 76 Cb -0.16 -1.12 0.02 0.00 0.02 0.00 0.00 46.19 44.94 2e5h s LEU 76 CO 0.11 0.08 0.42 0.49 0.02 0.00 0.00 176.35 177.46 2e5h n PHE 77 N 3.80 -1.71 -2.91 0.29 3.01 -1.26 -2.46 117.46 116.22 2e5h n PHE 77 Ca -0.21 0.37 -0.12 0.00 1.01 0.00 0.00 57.45 58.51 2e5h n PHE 77 Cb 0.52 -3.96 0.06 0.00 -0.01 0.00 0.00 39.48 36.09 2e5h n PHE 77 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2e5h n GLY 78 N -1.30 -0.35 3.23 1.37 0.00 -1.26 -4.99 105.19 101.89 2e5h n GLY 78 Ca -0.12 0.13 0.04 0.00 0.00 0.00 0.00 46.02 46.06 2e5h n GLY 78 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2e5h s ARG 79 N -4.54 0.18 -0.64 1.61 1.70 -1.03 -5.09 118.95 111.13 2e5h s ARG 79 Ca 0.15 0.39 -0.26 0.00 -0.47 0.00 0.00 55.73 55.54 2e5h s ARG 79 Cb -0.02 0.23 -0.12 0.00 -0.57 0.00 0.00 34.95 34.47 2e5h s ARG 79 CO 0.53 -0.13 2.43 0.28 -1.08 0.00 0.00 175.30 177.34 2e5h n VAL 80 N 5.13 -0.05 -2.58 4.99 0.31 -1.26 -2.56 118.33 122.30 2e5h n VAL 80 Ca -0.08 -0.64 -0.41 0.00 -0.01 0.00 0.00 64.34 63.21 2e5h n VAL 80 Cb 0.54 -2.26 -0.04 0.00 -0.91 0.00 0.00 33.84 31.17 2e5h n VAL 80 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 2e5h s ILE 81 N 12.22 3.98 -0.21 2.52 1.01 -0.93 -4.75 121.20 135.05 2e5h s ILE 81 Ca 1.01 1.76 -0.03 0.00 0.00 0.00 0.00 60.65 63.39 2e5h s ILE 81 Cb -0.29 -4.12 -0.01 0.00 0.01 0.00 0.00 42.46 38.06 2e5h s ILE 81 CO 0.24 0.32 -0.06 -0.54 0.00 0.00 0.00 174.94 174.90 2e5h s LYS 82 N -0.51 3.35 0.14 2.79 -0.14 -1.03 -3.80 119.74 120.54 2e5h s LYS 82 Ca 0.47 -0.64 0.08 0.00 -1.36 0.00 0.00 55.97 54.52 2e5h s LYS 82 Cb -0.28 -2.94 -0.04 0.00 -1.68 0.00 0.00 37.83 32.89 2e5h s LYS 82 CO 0.34 -0.15 -0.10 0.00 -0.76 0.00 0.00 175.35 174.68 2e5h s ALA 83 N 1.34 2.93 -0.28 5.17 0.00 -1.26 -0.52 121.76 129.14 2e5h s ALA 83 Ca 0.04 -1.36 -0.21 0.00 0.00 0.00 0.00 51.96 50.44 2e5h s ALA 83 Cb -0.14 -0.81 0.13 0.00 0.00 0.00 0.00 23.12 22.30 2e5h s ALA 83 CO -0.03 0.56 0.98 -1.54 0.00 0.00 0.00 175.76 175.72 2e5h s SER 84 N -2.50 -0.52 -0.32 0.00 1.04 -0.06 -4.88 113.70 106.46 2e5h s SER 84 Ca 0.23 0.91 -0.28 0.00 0.48 0.00 0.00 55.95 57.28 2e5h s SER 84 Cb -0.10 1.06 -0.06 0.00 0.10 0.00 0.00 66.02 67.02 2e5h s SER 84 CO 0.14 -0.15 2.29 -0.38 0.98 0.00 0.00 173.24 176.12 2e5h n ILE 85 N 2.99 0.19 -1.82 -1.02 2.08 -1.26 -1.01 119.36 119.51 2e5h n ILE 85 Ca -0.16 -0.54 -0.34 0.00 0.56 0.00 0.00 62.75 62.27 2e5h n ILE 85 Cb 0.57 -2.53 -0.04 0.00 -0.75 0.00 0.00 39.64 36.89 2e5h n ILE 85 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2e5h s ALA 86 N 9.45 1.77 0.00 -1.39 0.00 -1.25 -4.89 121.76 125.45 2e5h s ALA 86 Ca 1.01 -0.53 0.00 0.00 0.00 0.00 0.00 51.96 52.45 2e5h s ALA 86 Cb -0.35 -4.38 0.00 0.00 0.00 0.00 0.00 23.12 18.40 2e5h s ALA 86 CO 0.34 -4.42 0.01 0.44 0.00 0.00 0.00 175.76 172.14