#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j26 s SER 2 N 0.00 -0.03 0.14 1.61 0.15 -1.26 -5.19 113.70 109.12 1j26 s SER 2 Ca 0.00 -0.81 -0.25 0.00 0.70 0.00 0.00 55.95 55.59 1j26 s SER 2 Cb 0.00 0.48 0.07 0.00 -1.71 0.00 0.00 66.02 64.85 1j26 s SER 2 CO 0.00 -0.95 0.98 -0.44 1.20 0.00 0.00 173.24 174.04 1j26 s SER 3 N -2.96 -0.17 0.00 5.45 0.01 -1.26 -5.18 113.70 109.60 1j26 s SER 3 Ca 0.16 -0.38 0.00 0.00 1.31 0.00 0.00 55.95 57.04 1j26 s SER 3 Cb 0.02 0.47 0.00 0.00 0.21 0.00 0.00 66.02 66.72 1j26 s SER 3 CO 0.00 -0.86 0.00 0.61 0.41 0.00 0.00 173.24 173.40 1j26 n GLY 4 N -0.47 3.12 3.18 3.44 0.00 -1.26 -5.15 105.19 108.04 1j26 n GLY 4 Ca -0.06 -0.90 0.01 0.00 0.00 0.00 0.00 46.02 45.07 1j26 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1j26 s SER 5 N 0.00 -1.07 -0.46 1.61 0.01 -1.26 -5.10 113.70 107.43 1j26 s SER 5 Ca 0.00 0.87 0.09 0.00 1.31 0.00 0.00 55.95 58.22 1j26 s SER 5 Cb 0.00 2.00 0.32 0.00 0.21 0.00 0.00 66.02 68.55 1j26 s SER 5 CO 0.00 -0.26 0.77 -0.24 0.41 0.00 0.00 173.24 173.92 1j26 n SER 6 N 5.42 2.14 -4.70 2.44 2.88 -1.26 -5.07 113.62 115.47 1j26 n SER 6 Ca -0.03 -3.21 -0.36 0.00 -1.33 0.00 0.00 58.87 53.93 1j26 n SER 6 Cb 0.51 -0.61 -0.08 0.00 -0.75 0.00 0.00 64.21 63.28 1j26 n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1j26 s GLY 7 N -2.58 2.08 -0.29 0.46 0.00 -1.26 -4.71 107.32 101.03 1j26 s GLY 7 Ca 0.42 -0.65 -0.25 0.00 0.00 0.00 0.00 44.72 44.24 1j26 s GLY 7 CO -0.10 0.41 0.43 1.18 0.00 0.00 0.00 173.10 175.02 1j26 n GLU 8 N 3.91 -1.25 -2.19 2.90 1.02 -1.26 -4.80 120.64 118.97 1j26 n GLU 8 Ca -0.13 0.95 -0.31 0.00 -0.02 0.00 0.00 57.16 57.65 1j26 n GLU 8 Cb 0.52 -1.33 -0.05 0.00 -0.02 0.00 0.00 31.44 30.56 1j26 n GLU 8 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1j26 s HIS 9 N -0.99 2.11 -0.60 -0.32 2.46 -1.26 -4.21 115.29 112.49 1j26 s HIS 9 Ca 0.25 0.03 -0.22 0.00 0.47 0.00 0.00 55.06 55.60 1j26 s HIS 9 Cb -0.03 -4.19 0.03 0.00 -0.13 0.00 0.00 32.58 28.26 1j26 s HIS 9 CO 0.56 -1.47 0.64 0.00 -2.47 0.00 0.00 174.74 172.00 1j26 n ALA 10 N 12.86 -2.54 -1.22 1.58 0.00 -1.26 -4.92 120.51 125.00 1j26 n ALA 10 Ca 0.44 0.16 -0.35 0.00 0.00 0.00 0.00 53.44 53.69 1j26 n ALA 10 Cb 0.47 -1.76 0.10 0.00 0.00 0.00 0.00 19.45 18.26 1j26 n ALA 10 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1j26 n LYS 11 N -1.15 0.32 -4.10 0.00 4.81 -1.26 -5.07 118.16 111.71 1j26 n LYS 11 Ca -0.15 0.17 -0.10 0.00 -0.87 0.00 0.00 58.31 57.36 1j26 n LYS 11 Cb 0.67 -2.26 -0.09 0.00 0.02 0.00 0.00 35.03 33.37 1j26 n LYS 11 CO 0.00 0.00 0.00 1.14 1.17 0.00 0.00 177.40 179.71 1j26 s GLN 12 N -3.61 1.13 0.38 1.64 -2.07 -1.26 -5.17 119.66 110.70 1j26 s GLN 12 Ca 0.72 -1.42 0.00 0.00 -1.82 0.00 0.00 55.36 52.84 1j26 s GLN 12 Cb -0.32 0.31 0.00 0.00 -1.09 0.00 0.00 33.01 31.91 1j26 s GLN 12 CO 0.52 -0.38 0.00 0.00 -1.32 0.00 0.00 175.29 174.11 1j26 n ALA 13 N -0.21 -3.64 -1.71 2.60 0.00 -1.26 -4.71 120.51 111.59 1j26 n ALA 13 Ca -0.03 0.53 -0.17 0.00 0.00 0.00 0.00 53.44 53.76 1j26 n ALA 13 Cb 0.64 -1.30 -0.08 0.00 0.00 0.00 0.00 19.45 18.71 1j26 n ALA 13 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1j26 s SER 14 N -6.73 4.03 0.00 0.00 1.04 -1.26 -4.67 113.70 106.11 1j26 s SER 14 Ca 0.00 -0.57 0.04 0.00 0.48 0.00 0.00 55.95 55.89 1j26 s SER 14 Cb 0.00 -2.57 -0.00 0.00 0.10 0.00 0.00 66.02 63.55 1j26 s SER 14 CO 0.00 -3.93 0.39 -1.20 0.98 0.00 0.00 173.24 169.48 1j26 n SER 15 N 17.90 0.75 0.00 7.02 7.64 -1.26 -4.74 113.62 140.93 1j26 n SER 15 Ca 0.44 -0.88 0.00 0.00 1.01 0.00 0.00 58.87 59.44 1j26 n SER 15 Cb 0.45 0.48 0.00 0.00 -1.01 0.00 0.00 64.21 64.14 1j26 n SER 15 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1j26 n TYR 16 N -0.41 0.00 -2.48 1.43 4.11 -1.26 -5.07 117.16 113.47 1j26 n TYR 16 Ca 0.01 0.00 -0.04 0.00 -0.00 0.00 0.00 57.90 57.88 1j26 n TYR 16 Cb 0.07 -0.21 -0.03 0.00 -0.00 0.00 0.00 39.34 39.17 1j26 n TYR 16 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.86 175.97 1j26 n ILE 17 N -1.14-13.01 -2.59 -3.48 2.08 -1.26 -4.94 119.36 95.02 1j26 n ILE 17 Ca 0.00 2.90 -0.42 0.00 0.56 0.00 0.00 62.75 65.79 1j26 n ILE 17 Cb 0.00 -6.36 -0.03 0.00 -0.75 0.00 0.00 39.64 32.50 1j26 n ILE 17 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 1j26 s PRO 18 N -0.67 3.33 0.39 0.38 0.04 -1.26 -4.90 135.00 132.31 1j26 s PRO 18 Ca -0.19 -0.06 0.11 0.00 0.04 0.00 0.00 61.00 60.91 1j26 s PRO 18 Cb 0.01 -4.11 0.92 0.00 0.04 0.00 0.00 34.50 31.36 1j26 s PRO 18 CO 0.51 -1.92 1.92 -0.07 0.04 0.00 0.00 177.00 177.49 1j26 h LEU 19 N 12.43 0.52 -0.06 -3.56 3.38 -1.95 -1.28 115.31 124.80 1j26 h LEU 19 Ca -0.27 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1j26 h LEU 19 Cb 1.05 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.72 1j26 h LEU 19 CO 1.23 0.29 0.00 -0.67 0.09 0.00 0.00 178.44 179.38 1j26 n ASP 20 N -4.50 0.09 0.09 -0.43 2.03 -1.26 -1.88 116.55 110.69 1j26 n ASP 20 Ca 0.14 0.52 0.12 0.00 0.52 0.00 0.00 54.79 56.08 1j26 n ASP 20 Cb 0.42 -0.54 0.11 0.00 -0.72 0.00 0.00 41.12 40.39 1j26 n ASP 20 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 1j26 h ARG 21 N 0.00 0.00 -6.59 -0.67 3.08 -1.64 -3.48 114.38 105.08 1j26 h ARG 21 Ca 0.00 0.00 -0.45 0.00 0.07 0.00 0.00 59.98 59.60 1j26 h ARG 21 Cb 0.36 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.44 1j26 h ARG 21 CO 0.00 0.00 -0.16 -0.51 -1.07 0.00 0.00 179.97 178.23 1j26 s LEU 22 N -4.77 3.36 -0.76 3.04 1.43 -0.79 -4.89 118.68 115.31 1j26 s LEU 22 Ca 0.04 -0.58 -0.02 0.00 -1.03 0.00 0.00 54.13 52.54 1j26 s LEU 22 Cb 0.11 -2.19 0.19 0.00 0.03 0.00 0.00 46.19 44.33 1j26 s LEU 22 CO 0.74 -1.09 0.61 -0.55 0.23 0.00 0.00 176.35 176.29 1j26 s SER 23 N -4.51 5.56 0.09 2.29 0.15 0.65 -4.99 113.70 112.94 1j26 s SER 23 Ca 0.59 -3.35 -0.30 0.00 0.70 0.00 0.00 55.95 53.58 1j26 s SER 23 Cb -0.08 -1.86 -0.06 0.00 -1.71 0.00 0.00 66.02 62.31 1j26 s SER 23 CO 0.36 -0.26 1.15 -0.63 1.20 0.00 0.00 173.24 175.07 1j26 s ILE 24 N -0.79 4.05 -0.12 6.45 1.09 -1.26 -1.14 121.20 129.49 1j26 s ILE 24 Ca 0.23 1.55 -0.04 0.00 -1.10 0.00 0.00 60.65 61.29 1j26 s ILE 24 Cb -0.13 -3.99 0.05 0.00 -1.06 0.00 0.00 42.46 37.33 1j26 s ILE 24 CO -0.09 0.16 0.07 -0.55 -0.10 0.00 0.00 174.94 174.44 1j26 s SER 25 N 0.71 1.86 0.19 3.58 0.15 0.11 -4.99 113.70 115.30 1j26 s SER 25 Ca 0.55 -0.32 -0.18 0.00 0.70 0.00 0.00 55.95 56.70 1j26 s SER 25 Cb -0.29 -0.23 -0.08 0.00 -1.71 0.00 0.00 66.02 63.72 1j26 s SER 25 CO 0.31 -0.30 0.66 -0.31 1.20 0.00 0.00 173.24 174.80 1j26 s TYR 26 N 2.13 3.65 0.34 3.44 2.02 -1.26 -0.51 117.35 127.16 1j26 s TYR 26 Ca 0.03 1.28 -0.04 0.00 -0.37 0.00 0.00 57.07 57.97 1j26 s TYR 26 Cb -0.14 -2.53 0.02 0.00 -0.40 0.00 0.00 41.96 38.90 1j26 s TYR 26 CO -0.06 0.38 0.52 0.00 -1.57 0.00 0.00 175.55 174.81 1j26 n ARG 28 N -0.54 0.00 -2.65 0.00 0.63 -1.26 -1.06 116.66 111.78 1j26 n ARG 28 Ca -0.01 0.06 -0.02 0.00 -0.92 0.00 0.00 57.85 56.95 1j26 n ARG 28 Cb 0.55 -0.78 0.09 0.00 0.45 0.00 0.00 32.46 32.77 1j26 n ARG 28 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 1j26 n SER 29 N -0.67 -1.02 0.12 6.15 3.41 -1.26 -2.97 113.62 117.38 1j26 n SER 29 Ca 0.00 -1.53 0.10 0.00 -0.26 0.00 0.00 58.87 57.18 1j26 n SER 29 Cb 0.00 1.01 0.48 0.00 -0.26 0.00 0.00 64.21 65.44 1j26 n SER 29 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1j26 n SER 30 N 0.30 0.51 -2.90 4.04 7.64 -1.26 -4.63 113.62 117.31 1j26 n SER 30 Ca -0.13 0.68 0.00 0.00 1.01 0.00 0.00 58.87 60.44 1j26 n SER 30 Cb 0.74 -0.77 0.00 0.00 -1.01 0.00 0.00 64.21 63.17 1j26 n SER 30 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1j26 n GLY 31 N -0.73 0.28 3.75 0.23 0.00 -1.26 -5.02 105.19 102.43 1j26 n GLY 31 Ca 0.00 -1.56 -0.36 0.00 0.00 0.00 0.00 46.02 44.10 1j26 n GLY 31 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1j26 s PRO 32 N 0.11 2.78 -0.03 1.61 0.04 -1.26 -4.97 135.00 133.28 1j26 s PRO 32 Ca 0.00 1.86 0.11 0.00 0.04 0.00 0.00 61.00 63.01 1j26 s PRO 32 Cb 0.00 -1.90 0.19 0.00 0.04 0.00 0.00 34.50 32.83 1j26 s PRO 32 CO 0.00 -1.36 1.10 0.41 0.04 0.00 0.00 177.00 177.18 1j26 n GLY 33 N 0.56 0.83 2.14 0.56 0.00 -1.26 -4.90 105.19 103.11 1j26 n GLY 33 Ca 0.14 -0.34 -0.26 0.00 0.00 0.00 0.00 46.02 45.56 1j26 n GLY 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j26 n GLY 34 N 0.04 6.27 2.52 -0.02 0.00 -1.26 -4.66 105.19 108.07 1j26 n GLY 34 Ca -0.14 -2.62 -0.24 0.00 0.00 0.00 0.00 46.02 43.01 1j26 n GLY 34 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1j26 s GLN 35 N -3.64 0.73 0.00 1.61 -1.52 -1.26 -4.94 119.66 110.64 1j26 s GLN 35 Ca 0.53 -1.49 0.00 0.00 -1.95 0.00 0.00 55.36 52.44 1j26 s GLN 35 Cb 0.42 -1.13 0.00 0.00 -0.22 0.00 0.00 33.01 32.08 1j26 s GLN 35 CO -0.00 -1.28 0.00 0.09 -0.25 0.00 0.00 175.29 173.85 1j26 n ASN 36 N 3.58 0.00 -2.14 5.90 3.02 -1.26 -4.86 115.26 119.50 1j26 n ASN 36 Ca 0.19 0.00 -0.18 0.00 -0.03 0.00 0.00 54.58 54.56 1j26 n ASN 36 Cb 0.44 -1.18 -0.07 0.00 -0.61 0.00 0.00 39.78 38.36 1j26 n ASN 36 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1j26 n VAL 37 N -2.00 3.00 0.05 2.41 0.31 -1.26 -4.44 118.33 116.39 1j26 n VAL 37 Ca 0.00 -2.05 -0.02 0.00 -0.01 0.00 0.00 64.34 62.27 1j26 n VAL 37 Cb 0.00 -1.67 -0.01 0.00 -0.91 0.00 0.00 33.84 31.25 1j26 n VAL 37 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 1j26 h ASN 38 N 2.55 -0.10 0.00 4.52 4.21 -1.89 -3.41 115.58 121.46 1j26 h ASN 38 Ca 0.27 0.00 -0.04 0.00 1.21 0.00 0.00 56.30 57.74 1j26 h ASN 38 Cb 1.04 0.03 -0.01 0.00 -1.12 0.00 0.00 38.32 38.26 1j26 h ASN 38 CO 0.56 -0.06 -1.53 2.29 -1.29 0.00 0.00 177.43 177.40 1j26 n LYS 39 N -2.40 0.79 -2.07 0.81 -0.00 -1.26 -4.97 118.16 109.07 1j26 n LYS 39 Ca -0.01 -0.08 -0.32 0.00 -0.00 0.00 0.00 58.31 57.90 1j26 n LYS 39 Cb 0.05 -1.25 -0.04 0.00 -0.00 0.00 0.00 35.03 33.78 1j26 n LYS 39 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1j26 s VAL 40 N -2.62 3.42 -1.20 0.58 1.01 -1.26 -4.85 120.40 115.47 1j26 s VAL 40 Ca -0.04 -0.13 -0.19 0.00 0.00 0.00 0.00 61.98 61.62 1j26 s VAL 40 Cb 0.06 -4.02 0.08 0.00 0.00 0.00 0.00 36.38 32.50 1j26 s VAL 40 CO 0.43 -0.97 1.61 0.20 0.00 0.00 0.00 175.10 176.37 1j26 s ASN 41 N 7.92 6.77 -0.34 3.32 0.02 -1.26 -4.73 114.94 126.64 1j26 s ASN 41 Ca 0.68 -2.24 -0.01 0.00 -1.02 0.00 0.00 52.86 50.27 1j26 s ASN 41 Cb -0.09 -2.55 0.12 0.00 0.02 0.00 0.00 41.25 38.75 1j26 s ASN 41 CO 0.08 -1.21 0.16 -0.44 0.02 0.00 0.00 177.10 175.72 1j26 s SER 42 N 4.25 3.50 0.11 -1.22 0.01 -1.18 -4.75 113.70 114.42 1j26 s SER 42 Ca 0.50 -1.85 0.05 0.00 1.31 0.00 0.00 55.95 55.96 1j26 s SER 42 Cb 0.02 -0.59 -0.04 0.00 0.21 0.00 0.00 66.02 65.62 1j26 s SER 42 CO 0.02 -0.37 -0.13 -0.75 0.41 0.00 0.00 173.24 172.42 1j26 s LYS 43 N 1.41 0.94 -0.17 12.44 2.36 -0.23 -4.53 119.74 131.96 1j26 s LYS 43 Ca 0.13 -1.17 -0.01 0.00 -2.55 0.00 0.00 55.97 52.37 1j26 s LYS 43 Cb -0.20 -0.78 0.05 0.00 -1.05 0.00 0.00 37.83 35.85 1j26 s LYS 43 CO -0.17 0.15 -0.02 0.00 1.55 0.00 0.00 175.35 176.85 1j26 s ALA 44 N -2.10 1.32 -0.22 3.13 0.00 -1.25 -1.16 121.76 121.49 1j26 s ALA 44 Ca 0.06 -0.77 -0.04 0.00 0.00 0.00 0.00 51.96 51.21 1j26 s ALA 44 Cb -0.05 -1.13 -0.01 0.00 0.00 0.00 0.00 23.12 21.93 1j26 s ALA 44 CO 0.02 -0.89 -0.02 -2.00 0.00 0.00 0.00 175.76 172.87 1j26 s GLU 45 N 1.70 3.46 -0.12 0.00 2.12 0.34 -1.73 118.70 124.47 1j26 s GLU 45 Ca 0.00 -0.59 0.02 0.00 0.36 0.00 0.00 54.97 54.77 1j26 s GLU 45 Cb -0.16 -3.06 -0.00 0.00 0.26 0.00 0.00 34.13 31.17 1j26 s GLU 45 CO -0.07 -0.14 -0.20 0.54 -0.54 0.00 0.00 175.26 174.85 1j26 s VAL 46 N 1.37 2.38 0.09 3.70 0.11 -1.22 0.05 120.40 126.88 1j26 s VAL 46 Ca 0.04 -0.89 0.06 0.00 -2.93 0.00 0.00 61.98 58.26 1j26 s VAL 46 Cb -0.14 -1.95 -0.04 0.00 -1.53 0.00 0.00 36.38 32.71 1j26 s VAL 46 CO -0.01 0.54 -0.05 -0.60 -3.33 0.00 0.00 175.10 171.66 1j26 s ARG 47 N 0.46 2.38 -0.06 1.54 3.52 -0.29 -3.34 118.95 123.17 1j26 s ARG 47 Ca -0.14 -0.90 -0.13 0.00 -0.13 0.00 0.00 55.73 54.44 1j26 s ARG 47 Cb -0.17 -2.44 0.02 0.00 -1.56 0.00 0.00 34.95 30.80 1j26 s ARG 47 CO 0.06 0.53 0.30 -0.59 -0.81 0.00 0.00 175.30 174.79 1j26 s PHE 48 N -1.25 -0.23 -0.38 5.12 -0.71 -0.62 -0.25 117.98 119.67 1j26 s PHE 48 Ca 0.23 0.48 -0.28 0.00 -1.04 0.00 0.00 56.93 56.32 1j26 s PHE 48 Cb -0.11 0.09 -0.03 0.00 -1.21 0.00 0.00 43.02 41.76 1j26 s PHE 48 CO 0.16 -0.29 1.95 -1.58 -1.34 0.00 0.00 175.22 174.12 1j26 s HIS 49 N -0.70 1.59 0.25 3.49 5.65 -1.26 -0.72 115.29 123.58 1j26 s HIS 49 Ca -0.08 0.75 -0.04 0.00 0.25 0.00 0.00 55.06 55.94 1j26 s HIS 49 Cb -0.04 -4.02 0.28 0.00 -1.18 0.00 0.00 32.58 27.62 1j26 s HIS 49 CO 0.02 -2.97 1.78 1.25 -0.65 0.00 0.00 174.74 174.17 1j26 h LEU 50 N 15.10 0.90 -0.40 8.88 7.12 -1.85 -2.59 115.31 142.48 1j26 h LEU 50 Ca -0.32 -0.17 -0.03 0.00 0.13 0.00 0.00 57.88 57.49 1j26 h LEU 50 Cb 1.19 -0.24 -0.02 0.00 -0.53 0.00 0.00 40.66 41.07 1j26 h LEU 50 CO 1.07 0.87 0.15 0.00 -0.13 0.00 0.00 178.44 180.40 1j26 h ALA 51 N 1.24 0.52 0.00 1.25 0.00 -1.90 -0.87 119.26 119.50 1j26 h ALA 51 Ca 0.20 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1j26 h ALA 51 Cb 0.33 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1j26 h ALA 51 CO -0.00 0.13 0.00 0.43 0.00 0.00 0.00 179.25 179.81 1j26 n SER 52 N -4.64 0.37 -3.82 0.00 7.64 -1.11 -4.42 113.62 107.64 1j26 n SER 52 Ca -0.00 -1.54 -0.42 0.00 1.01 0.00 0.00 58.87 57.92 1j26 n SER 52 Cb 0.15 -0.18 0.00 0.00 -1.01 0.00 0.00 64.21 63.17 1j26 n SER 52 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1j26 n ALA 53 N -0.21 5.40 0.58 -0.43 0.00 -0.33 -4.74 120.51 120.77 1j26 n ALA 53 Ca 0.00 -4.06 0.05 0.00 0.00 0.00 0.00 53.44 49.43 1j26 n ALA 53 Cb 0.09 -3.31 0.28 0.00 0.00 0.00 0.00 19.45 16.51 1j26 n ALA 53 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1j26 n ASP 54 N 5.27 0.00 -0.39 0.00 8.00 -1.26 -0.88 116.55 127.29 1j26 n ASP 54 Ca 0.47 -0.18 0.13 0.00 0.71 0.00 0.00 54.79 55.92 1j26 n ASP 54 Cb 0.38 -0.08 0.37 0.00 -0.02 0.00 0.00 41.12 41.77 1j26 n ASP 54 CO 0.00 0.00 0.00 -2.67 -0.39 0.00 0.00 177.20 174.14 1j26 n TRP 55 N -1.08 0.00 -4.15 1.24 4.27 -1.26 -4.91 117.44 111.55 1j26 n TRP 55 Ca 0.07 0.00 -0.28 0.00 -3.89 0.00 0.00 57.50 53.39 1j26 n TRP 55 Cb 0.05 -0.06 -0.08 0.00 -1.36 0.00 0.00 31.31 29.86 1j26 n TRP 55 CO 0.00 0.00 0.00 0.42 -2.29 0.00 0.00 177.69 175.82 1j26 s ILE 56 N -2.30 3.98 0.34 -1.67 1.01 -0.06 -5.06 121.20 117.43 1j26 s ILE 56 Ca 0.28 -1.14 -0.29 0.00 0.00 0.00 0.00 60.65 59.50 1j26 s ILE 56 Cb 0.20 -2.95 -0.11 0.00 0.01 0.00 0.00 42.46 39.61 1j26 s ILE 56 CO 0.45 0.02 1.47 -1.61 0.00 0.00 0.00 174.94 175.27 1j26 s GLU 57 N -2.61 4.18 0.29 2.79 2.02 -1.26 -4.85 118.70 119.25 1j26 s GLU 57 Ca 0.27 2.48 0.02 0.00 0.02 0.00 0.00 54.97 57.75 1j26 s GLU 57 Cb -0.11 -3.01 0.58 0.00 0.10 0.00 0.00 34.13 31.69 1j26 s GLU 57 CO 0.19 -0.47 1.83 1.49 0.02 0.00 0.00 175.26 178.32 1j26 h GLU 58 N 3.66 0.94 0.00 1.61 4.81 -1.98 0.29 114.58 123.91 1j26 h GLU 58 Ca -0.49 -0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 58.61 1j26 h GLU 58 Cb 1.23 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 30.39 1j26 h GLU 58 CO 0.69 0.62 -0.33 -1.00 -0.73 0.00 0.00 179.01 178.26 1j26 h PRO 59 N 0.97 0.00 -0.04 0.92 0.13 -1.98 -2.42 132.00 129.59 1j26 h PRO 59 Ca 0.51 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 65.42 1j26 h PRO 59 Cb 0.54 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.68 1j26 h PRO 59 CO -0.28 0.33 -0.84 0.28 -0.23 0.00 0.00 178.00 177.27 1j26 h VAL 60 N 0.00 1.32 -0.00 1.56 2.07 -1.54 -1.93 116.25 117.73 1j26 h VAL 60 Ca -0.00 -2.11 0.03 0.00 0.82 0.00 0.00 66.70 65.43 1j26 h VAL 60 Cb 0.93 2.35 -0.05 0.00 -1.52 0.00 0.00 31.29 32.99 1j26 h VAL 60 CO 0.04 0.65 -0.37 0.03 0.02 0.00 0.00 177.57 177.94 1j26 h ARG 61 N 0.27 -0.51 0.00 1.57 3.08 -0.29 -0.55 114.38 117.95 1j26 h ARG 61 Ca -0.09 0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.99 1j26 h ARG 61 Cb 1.50 0.12 0.00 0.00 0.08 0.00 0.00 29.97 31.66 1j26 h ARG 61 CO 0.17 -0.34 0.00 0.00 -1.07 0.00 0.00 179.97 178.73 1j26 n GLN 62 N -5.44 0.09 0.08 0.04 10.64 -0.93 -1.06 117.38 120.81 1j26 n GLN 62 Ca -0.05 0.28 -0.03 0.00 -1.83 0.00 0.00 57.00 55.36 1j26 n GLN 62 Cb 0.35 -1.66 -0.02 0.00 -0.86 0.00 0.00 30.24 28.06 1j26 n GLN 62 CO 0.00 0.00 0.00 0.87 -1.83 0.00 0.00 177.06 176.10 1j26 h LYS 63 N 0.00 -0.22 -1.10 2.61 6.56 -0.31 -3.31 116.57 120.81 1j26 h LYS 63 Ca 0.00 0.01 0.30 0.00 -1.06 0.00 0.00 60.65 59.91 1j26 h LYS 63 Cb 0.36 0.05 -0.09 0.00 -0.57 0.00 0.00 32.23 31.98 1j26 h LYS 63 CO 0.00 -0.15 0.72 0.82 -2.06 0.00 0.00 179.45 178.79 1j26 h ILE 64 N -0.33 0.45 -0.99 1.86 5.03 -0.75 0.64 117.51 123.42 1j26 h ILE 64 Ca -0.02 -0.10 0.14 0.00 -0.12 0.00 0.00 64.86 64.75 1j26 h ILE 64 Cb 0.17 0.14 -0.09 0.00 -3.03 0.00 0.00 36.82 34.02 1j26 h ILE 64 CO 0.04 0.05 0.62 0.00 -0.68 0.00 0.00 178.15 178.18 1j26 h ALA 65 N 1.58 1.59 0.00 1.87 0.00 -1.22 -2.50 119.26 120.59 1j26 h ALA 65 Ca 0.62 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.56 1j26 h ALA 65 Cb 1.77 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.39 1j26 h ALA 65 CO -0.26 0.14 -0.35 1.28 0.00 0.00 0.00 179.25 180.06 1j26 n LEU 66 N -4.63 0.71 0.01 0.00 4.77 0.92 -4.18 117.00 114.60 1j26 n LEU 66 Ca 0.19 0.12 0.04 0.00 -0.03 0.00 0.00 56.01 56.33 1j26 n LEU 66 Cb 0.41 -0.55 0.43 0.00 -2.33 0.00 0.00 43.42 41.37 1j26 n LEU 66 CO 0.27 -0.43 1.15 0.74 -1.33 0.00 0.00 177.39 177.79 1j26 h THR 67 N -0.35 1.11 -0.18 -5.08 2.02 -0.05 -1.69 112.91 108.69 1j26 h THR 67 Ca 0.00 -0.20 -0.04 0.00 0.77 0.00 0.00 66.41 66.93 1j26 h THR 67 Cb 0.35 0.53 -0.03 0.00 -1.74 0.00 0.00 68.15 67.26 1j26 h THR 67 CO 0.00 0.10 -0.07 1.41 0.37 0.00 0.00 175.52 177.33 1j26 n HIS 68 N -4.47 0.60 0.03 3.16 8.25 -0.95 -4.71 115.22 117.14 1j26 n HIS 68 Ca 0.03 -1.16 0.18 0.00 -0.26 0.00 0.00 57.72 56.52 1j26 n HIS 68 Cb 0.06 -0.30 0.68 0.00 1.12 0.00 0.00 29.99 31.55 1j26 n HIS 68 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 1j26 h LYS 69 N 1.00 0.01 -0.00 -0.41 3.64 -1.20 0.34 116.57 119.94 1j26 h LYS 69 Ca 0.05 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.41 1j26 h LYS 69 Cb 1.32 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.14 1j26 h LYS 69 CO 0.18 0.01 -0.09 -0.97 -2.27 0.00 0.00 179.45 176.30 1j26 h ASN 70 N 0.01 0.00 1.85 4.20 -0.73 -1.84 -0.78 115.58 118.29 1j26 h ASN 70 Ca 0.22 -0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.39 1j26 h ASN 70 Cb 0.86 -0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.45 1j26 h ASN 70 CO -0.00 0.10 0.00 0.11 -0.37 0.00 0.00 177.43 177.26 1j26 h LYS 71 N 0.00 0.00 -6.93 6.67 1.79 -1.21 -3.45 116.57 113.44 1j26 h LYS 71 Ca -0.00 0.00 -0.49 0.00 -2.18 0.00 0.00 60.65 57.98 1j26 h LYS 71 Cb 0.17 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 30.84 1j26 h LYS 71 CO 0.01 0.00 0.42 0.42 -1.08 0.00 0.00 179.45 179.23 1j26 s ILE 72 N -3.19 3.67 0.00 1.86 1.01 -0.30 -0.43 121.20 123.81 1j26 s ILE 72 Ca 0.08 1.35 0.00 0.00 0.00 0.00 0.00 60.65 62.08 1j26 s ILE 72 Cb 0.07 -3.73 0.00 0.00 0.01 0.00 0.00 42.46 38.80 1j26 s ILE 72 CO 0.65 0.08 0.00 -0.46 0.00 0.00 0.00 174.94 175.21 1j26 n ASN 73 N 0.17 0.00 0.00 3.58 0.23 -0.96 -4.89 115.26 113.39 1j26 n ASN 73 Ca 0.04 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.09 1j26 n ASN 73 Cb 0.49 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.19 1j26 n ASN 73 CO 0.00 0.00 0.00 1.17 -0.93 0.00 0.00 177.26 177.50 1j26 n LYS 74 N 0.00 0.45 0.29 -3.83 3.00 -1.26 -4.92 118.16 111.89 1j26 n LYS 74 Ca 0.00 0.00 0.18 0.00 -0.00 0.00 0.00 58.31 58.49 1j26 n LYS 74 Cb 0.00 -0.56 0.84 0.00 0.00 0.00 0.00 35.03 35.31 1j26 n LYS 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1j26 h ALA 75 N 0.00 1.05 0.00 3.14 0.00 -2.02 -3.45 119.26 117.98 1j26 h ALA 75 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1j26 h ALA 75 Cb 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1j26 h ALA 75 CO 0.00 0.04 0.00 0.41 0.00 0.00 0.00 179.25 179.70 1j26 n GLY 76 N -0.40 0.62 3.72 0.00 0.00 -1.26 -5.07 105.19 102.80 1j26 n GLY 76 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 1j26 n GLY 76 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1j26 s GLU 77 N -0.89 4.47 -0.20 1.61 2.02 -1.26 -2.55 118.70 121.89 1j26 s GLU 77 Ca 0.00 1.01 -0.22 0.00 0.02 0.00 0.00 54.97 55.78 1j26 s GLU 77 Cb 0.00 -3.43 -0.02 0.00 0.10 0.00 0.00 34.13 30.78 1j26 s GLU 77 CO 0.00 0.10 0.69 -1.17 0.02 0.00 0.00 175.26 174.90 1j26 s LEU 78 N 0.63 4.13 -0.19 1.80 2.96 0.10 -2.26 118.68 125.85 1j26 s LEU 78 Ca 0.40 0.90 0.00 0.00 -0.22 0.00 0.00 54.13 55.21 1j26 s LEU 78 Cb -0.19 -2.98 0.05 0.00 0.50 0.00 0.00 46.19 43.56 1j26 s LEU 78 CO 0.21 -0.33 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.15 1j26 s VAL 79 N 2.13 1.33 -0.03 1.68 1.01 0.42 -1.58 120.40 125.36 1j26 s VAL 79 Ca 0.31 -0.86 0.02 0.00 0.00 0.00 0.00 61.98 61.45 1j26 s VAL 79 Cb -0.16 -1.51 0.01 0.00 0.00 0.00 0.00 36.38 34.73 1j26 s VAL 79 CO 0.10 0.08 -0.06 -1.48 0.00 0.00 0.00 175.10 173.75 1j26 s LEU 80 N 1.52 1.61 0.02 3.92 2.34 -1.21 -4.60 118.68 122.29 1j26 s LEU 80 Ca -0.01 -0.13 -0.05 0.00 0.06 0.00 0.00 54.13 54.00 1j26 s LEU 80 Cb -0.16 -0.42 -0.05 0.00 -0.56 0.00 0.00 46.19 45.00 1j26 s LEU 80 CO -0.08 0.01 0.25 0.42 -1.06 0.00 0.00 176.35 175.89 1j26 s THR 81 N 0.46 5.33 -0.06 5.48 -4.23 -1.26 -3.42 115.64 117.95 1j26 s THR 81 Ca -0.06 0.01 -0.02 0.00 -1.18 0.00 0.00 61.69 60.44 1j26 s THR 81 Cb -0.10 -3.57 0.04 0.00 1.34 0.00 0.00 72.50 70.21 1j26 s THR 81 CO 0.00 0.30 0.13 -0.55 -0.54 0.00 0.00 174.62 173.96 1j26 s SER 82 N -1.91 0.23 0.08 3.99 0.15 -0.71 -5.01 113.70 110.51 1j26 s SER 82 Ca 0.29 0.25 -0.25 0.00 0.70 0.00 0.00 55.95 56.95 1j26 s SER 82 Cb -0.13 0.15 0.07 0.00 -1.71 0.00 0.00 66.02 64.40 1j26 s SER 82 CO 0.19 -0.18 0.60 -1.83 1.20 0.00 0.00 173.24 173.22 1j26 s GLU 83 N 1.52 1.17 0.00 5.44 1.03 -1.26 -3.77 118.70 122.83 1j26 s GLU 83 Ca -0.05 -0.22 0.00 0.00 0.03 0.00 0.00 54.97 54.73 1j26 s GLU 83 Cb -0.12 0.54 0.00 0.00 -0.80 0.00 0.00 34.13 33.75 1j26 s GLU 83 CO -0.05 -0.46 0.00 0.43 -1.33 0.00 0.00 175.26 173.85 1j26 n SER 84 N 0.13 0.00 -4.98 0.83 7.64 -1.26 -5.06 113.62 110.92 1j26 n SER 84 Ca -0.18 0.00 -0.20 0.00 1.01 0.00 0.00 58.87 59.50 1j26 n SER 84 Cb 0.62 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.84 1j26 n SER 84 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1j26 s SER 85 N -0.77 5.50 0.49 6.43 0.01 -1.26 -4.92 113.70 119.18 1j26 s SER 85 Ca 0.00 -0.10 0.28 0.00 1.31 0.00 0.00 55.95 57.44 1j26 s SER 85 Cb 0.00 -0.92 1.10 0.00 0.21 0.00 0.00 66.02 66.41 1j26 s SER 85 CO 0.00 -0.93 1.89 0.08 0.41 0.00 0.00 173.24 174.69 1j26 h ARG 86 N 0.33 0.00 -7.53 12.44 0.11 -1.94 -3.45 114.38 114.35 1j26 h ARG 86 Ca -0.42 0.00 -0.45 0.00 0.10 0.00 0.00 59.98 59.21 1j26 h ARG 86 Cb 1.28 0.00 0.14 0.00 1.11 0.00 0.00 29.97 32.51 1j26 h ARG 86 CO 0.51 0.11 0.29 0.71 0.10 0.00 0.00 179.97 181.69 1j26 s TYR 87 N -3.65 2.07 0.00 4.08 2.02 -1.26 -4.75 117.35 115.86 1j26 s TYR 87 Ca 0.01 0.72 0.00 0.00 -0.37 0.00 0.00 57.07 57.43 1j26 s TYR 87 Cb 0.09 -3.51 0.00 0.00 -0.40 0.00 0.00 41.96 38.14 1j26 s TYR 87 CO 0.60 -2.64 0.00 1.04 -1.57 0.00 0.00 175.55 172.97 1j26 n GLN 88 N -3.92 0.00 -0.38 -0.62 3.00 -1.26 -4.32 117.38 109.88 1j26 n GLN 88 Ca 0.09 0.02 0.32 0.00 -0.01 0.00 0.00 57.00 57.41 1j26 n GLN 88 Cb 0.59 -0.18 0.58 0.00 0.00 0.00 0.00 30.24 31.24 1j26 n GLN 88 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.06 177.41 1j26 h PHE 89 N 0.00 0.72 0.10 1.08 3.57 -1.97 -1.28 116.94 119.16 1j26 h PHE 89 Ca 0.00 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.54 1j26 h PHE 89 Cb 0.00 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.54 1j26 h PHE 89 CO 0.00 -0.26 -0.15 -0.09 -2.23 0.00 0.00 178.31 175.57 1j26 h ARG 90 N 0.14 -0.30 -0.20 1.11 9.65 -1.98 0.40 114.38 123.19 1j26 h ARG 90 Ca 0.80 0.02 -0.03 0.00 -1.10 0.00 0.00 59.98 59.67 1j26 h ARG 90 Cb 2.21 0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 30.86 1j26 h ARG 90 CO -0.56 -0.20 -0.00 -0.91 2.80 0.00 0.00 179.97 181.10 1j26 h ASN 91 N -0.31 0.36 -0.87 -3.80 2.35 -1.44 -2.38 115.58 109.48 1j26 h ASN 91 Ca 0.02 -0.31 0.16 0.00 -0.55 0.00 0.00 56.30 55.62 1j26 h ASN 91 Cb 0.32 -0.10 -0.07 0.00 0.05 0.00 0.00 38.32 38.53 1j26 h ASN 91 CO -0.08 0.58 0.57 0.25 -1.65 0.00 0.00 177.43 177.10 1j26 h LEU 92 N 0.12 0.56 -0.62 1.61 7.12 -1.34 -1.67 115.31 121.10 1j26 h LEU 92 Ca 0.06 0.04 -0.15 0.00 0.13 0.00 0.00 57.88 57.96 1j26 h LEU 92 Cb 0.40 -0.07 -0.02 0.00 -0.53 0.00 0.00 40.66 40.44 1j26 h LEU 92 CO 0.01 0.27 -0.69 0.00 -0.13 0.00 0.00 178.44 177.90 1j26 h ALA 93 N 1.61 0.85 -0.61 1.25 0.00 0.28 -1.25 119.26 121.39 1j26 h ALA 93 Ca 0.45 -0.62 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 1j26 h ALA 93 Cb 0.85 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1j26 h ALA 93 CO -0.19 0.85 0.03 1.49 0.00 0.00 0.00 179.25 181.42 1j26 h GLU 94 N 0.02 1.05 -0.19 0.00 4.81 -0.84 -1.31 114.58 118.12 1j26 h GLU 94 Ca -0.01 -0.31 0.05 0.00 -0.13 0.00 0.00 59.36 58.95 1j26 h GLU 94 Cb 1.22 -0.11 -0.05 0.00 0.63 0.00 0.00 28.75 30.45 1j26 h GLU 94 CO 0.09 1.01 -0.10 0.00 -0.73 0.00 0.00 179.01 179.28 1j26 h LEU 96 N -0.09 0.01 -0.40 0.00 3.38 -1.08 -1.20 115.31 115.92 1j26 h LEU 96 Ca 0.11 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1j26 h LEU 96 Cb 0.25 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1j26 h LEU 96 CO -0.25 0.19 0.19 -0.61 0.09 0.00 0.00 178.44 178.05 1j26 h GLN 97 N 0.01 0.58 -0.22 1.13 5.75 -0.01 -2.11 115.11 120.24 1j26 h GLN 97 Ca -0.00 -0.09 -0.21 0.00 -0.15 0.00 0.00 58.65 58.21 1j26 h GLN 97 Cb 0.32 -0.10 0.01 0.00 1.07 0.00 0.00 27.48 28.77 1j26 h GLN 97 CO 0.02 0.51 -0.67 0.87 -2.65 0.00 0.00 178.83 176.91 1j26 h LYS 98 N 0.51 0.84 -0.81 1.69 1.57 -0.09 -0.58 116.57 119.70 1j26 h LYS 98 Ca 0.14 -0.61 0.19 0.00 -1.87 0.00 0.00 60.65 58.50 1j26 h LYS 98 Cb 0.12 0.10 -0.14 0.00 0.08 0.00 0.00 32.23 32.39 1j26 h LYS 98 CO -0.02 1.23 0.01 0.82 -0.57 0.00 0.00 179.45 180.92 1j26 h ILE 99 N 0.61 0.27 -0.48 1.86 2.04 -1.24 0.42 117.51 120.99 1j26 h ILE 99 Ca -0.02 -0.03 -0.09 0.00 1.00 0.00 0.00 64.86 65.72 1j26 h ILE 99 Cb 1.29 0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 37.53 1j26 h ILE 99 CO 0.14 0.02 -0.06 0.03 0.00 0.00 0.00 178.15 178.28 1j26 h ARG 100 N 0.09 0.84 0.08 2.37 3.08 -0.78 -1.84 114.38 118.22 1j26 h ARG 100 Ca 0.45 -0.26 -0.00 0.00 0.07 0.00 0.00 59.98 60.24 1j26 h ARG 100 Cb 0.83 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.80 1j26 h ARG 100 CO -0.72 0.88 -0.04 0.38 -1.07 0.00 0.00 179.97 179.40 1j26 h ASP 101 N 0.77 -0.09 -0.46 7.04 3.04 0.75 -1.02 116.42 126.45 1j26 h ASP 101 Ca 0.14 -0.17 -0.04 0.00 -3.24 0.00 0.00 57.03 53.72 1j26 h ASP 101 Cb 0.54 0.02 -0.02 0.00 -1.04 0.00 0.00 39.33 38.83 1j26 h ASP 101 CO 0.03 0.12 0.14 0.24 -2.04 0.00 0.00 179.24 177.73 1j26 h MET 102 N -0.29 0.78 -0.10 4.15 2.86 -0.21 0.16 114.93 122.28 1j26 h MET 102 Ca -0.01 -0.15 -0.10 0.00 -2.06 0.00 0.00 59.70 57.38 1j26 h MET 102 Cb 0.25 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 31.79 1j26 h MET 102 CO 0.02 0.69 -0.33 0.82 1.06 0.00 0.00 176.91 179.18 1j26 h ILE 103 N 0.76 1.40 -0.00 -1.22 2.04 -1.35 -2.37 117.51 116.76 1j26 h ILE 103 Ca 0.17 -1.67 0.02 0.00 1.00 0.00 0.00 64.86 64.38 1j26 h ILE 103 Cb 0.25 2.20 -0.02 0.00 -0.74 0.00 0.00 36.82 38.51 1j26 h ILE 103 CO -0.01 0.49 -0.09 0.00 0.00 0.00 0.00 178.15 178.54 1j26 h ALA 104 N 0.48 -0.10 -0.32 1.87 0.00 -0.64 -1.84 119.26 118.71 1j26 h ALA 104 Ca -0.01 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 1j26 h ALA 104 Cb 0.95 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1j26 h ALA 104 CO 0.07 -0.59 -0.25 1.05 0.00 0.00 0.00 179.25 179.53 1j26 h GLU 105 N -0.16 0.63 0.00 0.00 4.11 -0.75 -2.08 114.58 116.33 1j26 h GLU 105 Ca 0.04 -0.25 -0.04 0.00 0.07 0.00 0.00 59.36 59.17 1j26 h GLU 105 Cb 0.21 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1j26 h GLU 105 CO -0.10 0.83 -0.18 0.00 0.07 0.00 0.00 179.01 179.63 1j26 h ALA 106 N 1.17 1.16 -0.18 1.06 0.00 -1.30 -2.73 119.26 118.45 1j26 h ALA 106 Ca 0.08 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 1j26 h ALA 106 Cb 0.73 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 1j26 h ALA 106 CO 0.06 0.23 -0.20 1.03 0.00 0.00 0.00 179.25 180.37 1j26 h SER 107 N 0.00 0.48 -0.51 0.00 0.87 -0.64 -3.43 113.55 110.33 1j26 h SER 107 Ca -0.00 -0.49 0.00 0.00 -1.23 0.00 0.00 61.79 60.07 1j26 h SER 107 Cb 0.54 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.36 1j26 h SER 107 CO 0.02 0.88 0.00 0.61 -0.53 0.00 0.00 176.83 177.81 1j26 n GLY 108 N 0.23 0.07 3.63 5.77 0.00 -1.03 -4.99 105.19 108.87 1j26 n GLY 108 Ca -0.06 -1.73 -0.43 0.00 0.00 0.00 0.00 46.02 43.80 1j26 n GLY 108 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1j26 s PRO 109 N 0.84 3.81 -0.18 1.61 0.04 -1.26 -5.00 135.00 134.87 1j26 s PRO 109 Ca 0.00 1.55 -0.04 0.00 0.04 0.00 0.00 61.00 62.55 1j26 s PRO 109 Cb 0.00 -4.00 0.06 0.00 0.04 0.00 0.00 34.50 30.60 1j26 s PRO 109 CO 0.00 -1.27 0.08 0.45 0.04 0.00 0.00 177.00 176.29 1j26 s SER 110 N 3.94 2.50 1.05 6.66 0.15 -1.26 -4.97 113.70 121.77 1j26 s SER 110 Ca 0.68 -0.67 -0.15 0.00 0.70 0.00 0.00 55.95 56.51 1j26 s SER 110 Cb -0.23 -0.34 0.21 0.00 -1.71 0.00 0.00 66.02 63.96 1j26 s SER 110 CO 0.28 -0.34 1.12 -0.44 1.20 0.00 0.00 173.24 175.06 1j26 s SER 111 N 2.06 2.27 0.00 5.45 0.01 -1.26 -5.08 113.70 117.16 1j26 s SER 111 Ca 0.01 0.91 0.00 0.00 1.31 0.00 0.00 55.95 58.18 1j26 s SER 111 Cb -0.16 -1.40 0.00 0.00 0.21 0.00 0.00 66.02 64.67 1j26 s SER 111 CO -0.09 -3.32 0.00 0.61 0.41 0.00 0.00 173.24 170.85