#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ab2 n SER 2 N 0.00 1.52 -4.52 1.61 7.64 -1.26 -4.93 113.62 113.68 1ab2 n SER 2 Ca 0.00 0.23 -0.38 0.00 1.01 0.00 0.00 58.87 59.74 1ab2 n SER 2 Cb 0.00 -0.54 -0.10 0.00 -1.01 0.00 0.00 64.21 62.56 1ab2 n SER 2 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ab2 n GLY 3 N 2.47 -0.22 0.00 0.23 0.00 -1.25 -3.07 105.19 103.35 1ab2 n GLY 3 Ca -0.07 0.90 0.00 0.00 0.00 0.00 0.00 46.02 46.85 1ab2 n GLY 3 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ab2 n ASN 4 N 12.67 0.00 0.11 1.61 5.15 -1.26 -4.64 115.26 128.91 1ab2 n ASN 4 Ca 0.54 0.00 -0.13 0.00 -0.60 0.00 0.00 54.58 54.39 1ab2 n ASN 4 Cb 0.25 0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.44 1ab2 n ASN 4 CO 0.00 0.00 0.00 0.77 1.40 0.00 0.00 177.26 179.43 1ab2 h SER 5 N 0.00 -0.87 -0.12 1.20 4.64 -1.92 -2.15 113.55 114.33 1ab2 h SER 5 Ca 0.00 0.10 -0.36 0.00 -0.47 0.00 0.00 61.79 61.06 1ab2 h SER 5 Cb 0.00 0.33 -0.05 0.00 -0.31 0.00 0.00 62.40 62.37 1ab2 h SER 5 CO 0.00 -0.39 0.93 0.18 -0.87 0.00 0.00 176.83 176.68 1ab2 n LEU 6 N -5.41 6.40 -3.33 5.97 4.77 -1.26 -4.75 117.00 119.40 1ab2 n LEU 6 Ca -0.06 -3.63 -0.34 0.00 -0.03 0.00 0.00 56.01 51.94 1ab2 n LEU 6 Cb 0.32 -1.44 -0.02 0.00 -2.33 0.00 0.00 43.42 39.94 1ab2 n LEU 6 CO 0.23 1.82 2.92 -0.62 -1.33 0.00 0.00 177.39 180.41 1ab2 n GLU 7 N 2.64 2.95 0.00 3.23 -0.58 -0.81 -4.54 120.64 123.54 1ab2 n GLU 7 Ca 0.54 -1.97 0.00 0.00 -0.42 0.00 0.00 57.16 55.31 1ab2 n GLU 7 Cb 0.68 -2.74 0.00 0.00 -0.57 0.00 0.00 31.44 28.81 1ab2 n GLU 7 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1ab2 n LYS 8 N 4.25 0.00 -1.18 3.49 0.00 -1.25 -4.92 118.16 118.55 1ab2 n LYS 8 Ca 0.63 0.00 -0.22 0.00 0.00 0.00 0.00 58.31 58.72 1ab2 n LYS 8 Cb 0.22 0.00 0.17 0.00 0.00 0.00 0.00 35.03 35.42 1ab2 n LYS 8 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1ab2 n HIS 9 N 0.00 -3.87 0.69 5.64 8.25 -1.26 -4.89 115.22 119.78 1ab2 n HIS 9 Ca 0.00 -0.83 -0.02 0.00 -0.26 0.00 0.00 57.72 56.61 1ab2 n HIS 9 Cb 0.00 -0.81 0.04 0.00 1.12 0.00 0.00 29.99 30.34 1ab2 n HIS 9 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1ab2 n SER 10 N -3.95 2.64 -0.12 0.41 7.64 -1.26 -2.43 113.62 116.54 1ab2 n SER 10 Ca 0.12 -2.20 0.00 0.00 1.01 0.00 0.00 58.87 57.80 1ab2 n SER 10 Cb 0.44 -0.54 0.00 0.00 -1.01 0.00 0.00 64.21 63.10 1ab2 n SER 10 CO 0.00 0.00 0.00 -2.67 -3.01 0.00 0.00 175.04 169.36 1ab2 n TRP 11 N 0.20 0.00 -4.00 1.43 4.27 -1.26 -0.35 117.44 117.73 1ab2 n TRP 11 Ca 0.07 0.00 -0.31 0.00 -3.89 0.00 0.00 57.50 53.37 1ab2 n TRP 11 Cb 0.58 0.03 -0.15 0.00 -1.36 0.00 0.00 31.31 30.41 1ab2 n TRP 11 CO 0.00 0.00 0.00 -0.47 -2.29 0.00 0.00 177.69 174.93 1ab2 s TYR 12 N 0.00 3.50 -0.24 -2.67 5.04 -1.02 -4.31 117.35 117.65 1ab2 s TYR 12 Ca 0.00 -2.79 0.05 0.00 -2.44 0.00 0.00 57.07 51.89 1ab2 s TYR 12 Cb 0.00 -2.68 0.12 0.00 0.35 0.00 0.00 41.96 39.75 1ab2 s TYR 12 CO 0.00 -0.93 1.09 -2.39 -1.34 0.00 0.00 175.55 171.98 1ab2 n HIS 13 N 4.33 0.15 0.00 4.97 1.44 -1.26 -3.79 115.22 121.05 1ab2 n HIS 13 Ca 0.01 -0.57 0.00 0.00 -2.01 0.00 0.00 57.72 55.15 1ab2 n HIS 13 Cb 0.42 -0.07 0.00 0.00 0.12 0.00 0.00 29.99 30.46 1ab2 n HIS 13 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1ab2 n GLY 14 N -0.36 0.86 3.70 -1.39 0.00 -1.26 -3.96 105.19 102.78 1ab2 n GLY 14 Ca 0.05 -2.30 -0.42 0.00 0.00 0.00 0.00 46.02 43.35 1ab2 n GLY 14 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ab2 s PRO 15 N -0.96 4.41 -0.19 1.61 0.04 -1.26 -4.82 135.00 133.82 1ab2 s PRO 15 Ca 0.00 1.71 0.01 0.00 0.04 0.00 0.00 61.00 62.76 1ab2 s PRO 15 Cb 0.00 -3.44 0.03 0.00 0.04 0.00 0.00 34.50 31.13 1ab2 s PRO 15 CO 0.00 -0.32 -0.16 0.54 0.04 0.00 0.00 177.00 177.09 1ab2 s VAL 16 N 1.54 1.95 0.31 -0.36 0.11 -1.22 -4.98 120.40 117.76 1ab2 s VAL 16 Ca 0.57 -1.03 -0.29 0.00 -2.93 0.00 0.00 61.98 58.29 1ab2 s VAL 16 Cb -0.27 -1.86 -0.12 0.00 -1.53 0.00 0.00 36.38 32.60 1ab2 s VAL 16 CO 0.26 0.37 1.49 -1.20 -3.33 0.00 0.00 175.10 172.69 1ab2 n SER 17 N 4.62 3.46 -0.30 3.54 7.64 -1.26 -4.58 113.62 126.75 1ab2 n SER 17 Ca -0.18 1.17 0.28 0.00 1.01 0.00 0.00 58.87 61.16 1ab2 n SER 17 Cb 0.48 -1.55 0.64 0.00 -1.01 0.00 0.00 64.21 62.77 1ab2 n SER 17 CO 0.00 0.00 0.00 0.08 -3.01 0.00 0.00 175.04 172.11 1ab2 h ARG 18 N 3.90 0.17 0.66 1.43 0.11 -1.97 1.52 114.38 120.20 1ab2 h ARG 18 Ca -0.47 -0.01 -0.03 0.00 0.10 0.00 0.00 59.98 59.56 1ab2 h ARG 18 Cb 1.25 -0.04 0.01 0.00 1.11 0.00 0.00 29.97 32.29 1ab2 h ARG 18 CO 0.72 0.12 -0.32 -0.91 0.10 0.00 0.00 179.97 179.68 1ab2 h ASN 19 N 0.18 -0.75 0.44 0.08 4.21 -2.00 -2.30 115.58 115.44 1ab2 h ASN 19 Ca 0.55 0.01 -0.01 0.00 1.21 0.00 0.00 56.30 58.06 1ab2 h ASN 19 Cb 1.82 0.19 -0.00 0.00 -1.12 0.00 0.00 38.32 39.21 1ab2 h ASN 19 CO -0.14 -0.37 -0.06 0.00 -1.29 0.00 0.00 177.43 175.58 1ab2 h ALA 20 N -1.14 1.14 -0.04 -0.83 0.00 -1.42 -2.17 119.26 114.80 1ab2 h ALA 20 Ca -0.09 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1ab2 h ALA 20 Cb 0.70 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1ab2 h ALA 20 CO 0.15 0.07 0.00 0.00 0.00 0.00 0.00 179.25 179.47 1ab2 n ALA 21 N -2.18 -0.48 0.14 0.00 0.00 0.50 0.22 120.51 118.70 1ab2 n ALA 21 Ca -0.01 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.61 1ab2 n ALA 21 Cb 0.21 0.00 0.77 0.00 0.00 0.00 0.00 19.45 20.43 1ab2 n ALA 21 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1ab2 h GLU 22 N 0.00 0.00 0.00 0.00 4.11 -1.36 0.39 114.58 117.72 1ab2 h GLU 22 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1ab2 h GLU 22 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1ab2 h GLU 22 CO 0.00 0.00 0.00 0.98 0.07 0.00 0.00 179.01 180.06 1ab2 n TYR 23 N -3.94 0.00 0.33 2.06 9.36 -0.82 -3.64 117.16 120.51 1ab2 n TYR 23 Ca 0.04 0.00 0.15 0.00 3.32 0.00 0.00 57.90 61.42 1ab2 n TYR 23 Cb 0.44 -0.48 0.81 0.00 -0.63 0.00 0.00 39.34 39.49 1ab2 n TYR 23 CO 0.00 0.00 0.00 1.25 0.22 0.00 0.00 176.86 178.33 1ab2 h LEU 24 N 0.00 0.00 -9.56 2.98 6.46 0.28 -3.42 115.31 112.05 1ab2 h LEU 24 Ca 0.00 0.00 -0.59 0.00 -0.12 0.00 0.00 57.88 57.17 1ab2 h LEU 24 Cb 0.00 0.00 0.13 0.00 -0.73 0.00 0.00 40.66 40.06 1ab2 h LEU 24 CO 0.00 0.00 0.05 -0.11 -0.62 0.00 0.00 178.44 177.76 1ab2 n LEU 25 N -2.92 2.01 0.00 2.25 7.94 0.13 -4.93 117.00 121.48 1ab2 n LEU 25 Ca -0.02 1.03 0.00 0.00 -1.11 0.00 0.00 56.01 55.91 1ab2 n LEU 25 Cb 0.39 -1.30 0.00 0.00 0.53 0.00 0.00 43.42 43.04 1ab2 n LEU 25 CO 0.14 -1.75 0.00 -1.20 -1.11 0.00 0.00 177.39 173.47 1ab2 n SER 26 N 0.73 0.00 0.00 1.96 7.64 -1.26 -5.00 113.62 117.68 1ab2 n SER 26 Ca 0.10 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.98 1ab2 n SER 26 Cb 0.38 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.58 1ab2 n SER 26 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1ab2 n SER 27 N 0.00 0.00 -3.53 6.43 3.41 -1.26 -5.09 113.62 113.58 1ab2 n SER 27 Ca 0.00 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.32 1ab2 n SER 27 Cb 0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 63.81 1ab2 n SER 27 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1ab2 s GLY 28 N 0.00 0.69 0.04 5.00 0.00 -1.26 -4.29 107.32 107.50 1ab2 s GLY 28 Ca 0.00 -1.44 0.00 0.00 0.00 0.00 0.00 44.72 43.28 1ab2 s GLY 28 CO 0.00 2.03 0.01 0.29 0.00 0.00 0.00 173.10 175.42 1ab2 n ILE 29 N 4.76 0.00 1.14 0.90 -5.35 -1.26 -4.99 119.36 114.56 1ab2 n ILE 29 Ca 0.01 -0.18 0.10 0.00 -0.27 0.00 0.00 62.75 62.41 1ab2 n ILE 29 Cb 0.40 -0.05 0.57 0.00 -1.74 0.00 0.00 39.64 38.82 1ab2 n ILE 29 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 1ab2 n ASN 30 N -1.19 0.00 0.00 7.28 0.23 -1.26 -4.57 115.26 115.75 1ab2 n ASN 30 Ca -0.01 -0.28 0.00 0.00 -0.53 0.00 0.00 54.58 53.76 1ab2 n ASN 30 Cb 0.05 -0.17 0.00 0.00 -2.08 0.00 0.00 39.78 37.58 1ab2 n ASN 30 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1ab2 n GLY 31 N 0.43 3.61 2.96 4.83 0.00 -1.26 -4.98 105.19 110.79 1ab2 n GLY 31 Ca 0.12 -0.67 -0.16 0.00 0.00 0.00 0.00 46.02 45.31 1ab2 n GLY 31 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ab2 s SER 32 N 0.00 0.65 0.36 1.61 1.04 -1.02 -4.20 113.70 112.14 1ab2 s SER 32 Ca 0.00 -0.10 0.09 0.00 0.48 0.00 0.00 55.95 56.42 1ab2 s SER 32 Cb 0.00 -0.07 -0.07 0.00 0.10 0.00 0.00 66.02 65.98 1ab2 s SER 32 CO 0.00 0.07 -0.03 -0.36 0.98 0.00 0.00 173.24 173.90 1ab2 s PHE 33 N -0.13 2.48 -0.18 5.02 0.40 -1.26 0.48 117.98 124.79 1ab2 s PHE 33 Ca 0.02 -0.53 -0.04 0.00 -0.60 0.00 0.00 56.93 55.77 1ab2 s PHE 33 Cb -0.02 -1.54 0.09 0.00 0.51 0.00 0.00 43.02 42.06 1ab2 s PHE 33 CO -0.00 0.50 0.31 -0.51 0.70 0.00 0.00 175.22 176.22 1ab2 s LEU 34 N -3.68 -0.41 0.39 -0.37 1.43 0.55 -4.89 118.68 111.69 1ab2 s LEU 34 Ca 0.34 0.42 -0.27 0.00 -1.03 0.00 0.00 54.13 53.59 1ab2 s LEU 34 Cb 0.04 0.86 -0.10 0.00 0.03 0.00 0.00 46.19 47.02 1ab2 s LEU 34 CO 0.18 -0.27 1.36 0.54 0.23 0.00 0.00 176.35 178.39 1ab2 s VAL 35 N 2.47 2.45 0.44 -1.59 0.11 -1.26 0.78 120.40 123.80 1ab2 s VAL 35 Ca 0.05 0.42 0.00 0.00 -2.93 0.00 0.00 61.98 59.52 1ab2 s VAL 35 Cb -0.14 -3.26 0.00 0.00 -1.53 0.00 0.00 36.38 31.46 1ab2 s VAL 35 CO -0.12 0.08 0.02 0.54 -3.33 0.00 0.00 175.10 172.29 1ab2 n ARG 36 N 0.33 0.92 -1.54 1.54 5.12 0.31 -3.41 116.66 119.93 1ab2 n ARG 36 Ca 0.02 -3.21 0.00 0.00 -1.93 0.00 0.00 57.85 52.73 1ab2 n ARG 36 Cb 0.42 0.83 0.00 0.00 -1.16 0.00 0.00 32.46 32.55 1ab2 n ARG 36 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1ab2 n GLU 37 N -1.13 1.34 -1.70 5.56 1.02 -1.26 -2.83 120.64 121.64 1ab2 n GLU 37 Ca -0.17 0.00 -0.66 0.00 -0.02 0.00 0.00 57.16 56.31 1ab2 n GLU 37 Cb 0.56 0.00 -0.10 0.00 -0.02 0.00 0.00 31.44 31.88 1ab2 n GLU 37 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1ab2 n SER 38 N -1.48 1.01 -3.97 1.62 2.88 0.54 -3.44 113.62 110.79 1ab2 n SER 38 Ca 0.00 1.18 -0.31 0.00 -1.33 0.00 0.00 58.87 58.41 1ab2 n SER 38 Cb 0.00 -0.89 -0.10 0.00 -0.75 0.00 0.00 64.21 62.47 1ab2 n SER 38 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1ab2 n GLU 39 N 3.56 2.18 0.00 -1.46 4.07 -1.26 -4.66 120.64 123.07 1ab2 n GLU 39 Ca 0.29 -4.50 0.00 0.00 -0.06 0.00 0.00 57.16 52.89 1ab2 n GLU 39 Cb -0.03 -2.34 0.00 0.00 -0.06 0.00 0.00 31.44 29.01 1ab2 n GLU 39 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 1ab2 n SER 40 N 2.04 0.00 -3.99 4.31 2.88 -1.26 -5.02 113.62 112.59 1ab2 n SER 40 Ca 0.21 0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 57.49 1ab2 n SER 40 Cb 0.36 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.65 1ab2 n SER 40 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1ab2 s SER 41 N -0.10 2.04 -0.33 -3.46 1.04 -1.26 -5.10 113.70 106.53 1ab2 s SER 41 Ca 0.00 -0.33 -0.29 0.00 0.48 0.00 0.00 55.95 55.81 1ab2 s SER 41 Cb 0.00 -0.88 0.00 0.00 0.10 0.00 0.00 66.02 65.24 1ab2 s SER 41 CO 0.00 -0.03 1.37 -2.16 0.98 0.00 0.00 173.24 173.41 1ab2 s PRO 42 N 1.11 3.78 0.00 4.02 0.04 -1.26 -2.73 135.00 139.96 1ab2 s PRO 42 Ca -0.06 1.18 0.00 0.00 0.04 0.00 0.00 61.00 62.16 1ab2 s PRO 42 Cb -0.14 -3.95 0.00 0.00 0.04 0.00 0.00 34.50 30.45 1ab2 s PRO 42 CO -0.02 -1.30 0.00 0.41 0.04 0.00 0.00 177.00 176.13 1ab2 n GLY 43 N 4.62 0.74 3.84 0.56 0.00 -1.26 -5.09 105.19 108.61 1ab2 n GLY 43 Ca 0.16 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.96 1ab2 n GLY 43 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ab2 s GLN 44 N 0.00 2.83 0.11 1.61 -0.21 -1.10 -4.96 119.66 117.93 1ab2 s GLN 44 Ca 0.00 -1.17 0.06 0.00 0.02 0.00 0.00 55.36 54.27 1ab2 s GLN 44 Cb 0.00 -2.52 -0.04 0.00 1.00 0.00 0.00 33.01 31.45 1ab2 s GLN 44 CO 0.00 0.25 -0.15 0.50 -2.12 0.00 0.00 175.29 173.78 1ab2 s ARG 45 N -3.92 0.98 0.29 2.91 3.00 -1.26 0.20 118.95 121.16 1ab2 s ARG 45 Ca 0.37 -1.16 0.02 0.00 -1.00 0.00 0.00 55.73 53.96 1ab2 s ARG 45 Cb -0.07 -0.92 -0.05 0.00 0.00 0.00 0.00 34.95 33.91 1ab2 s ARG 45 CO 0.26 0.19 0.09 -1.54 0.00 0.00 0.00 175.30 174.29 1ab2 s SER 46 N -2.24 1.73 0.06 -2.12 1.04 -1.13 -2.56 113.70 108.49 1ab2 s SER 46 Ca 0.06 -1.40 0.02 0.00 0.48 0.00 0.00 55.95 55.11 1ab2 s SER 46 Cb -0.07 0.10 -0.03 0.00 0.10 0.00 0.00 66.02 66.12 1ab2 s SER 46 CO 0.03 -0.70 -0.07 -0.51 0.98 0.00 0.00 173.24 172.96 1ab2 s ILE 47 N -3.55 0.57 -0.04 -1.02 1.10 -0.80 0.12 121.20 117.58 1ab2 s ILE 47 Ca 0.37 -1.31 0.03 0.00 -0.51 0.00 0.00 60.65 59.23 1ab2 s ILE 47 Cb 0.08 -0.89 0.00 0.00 0.15 0.00 0.00 42.46 41.80 1ab2 s ILE 47 CO 0.15 -0.52 -0.13 -0.55 -2.11 0.00 0.00 174.94 171.78 1ab2 s SER 48 N -1.97 1.71 -0.00 4.50 0.15 0.23 -1.86 113.70 116.46 1ab2 s SER 48 Ca -0.04 -0.28 0.06 0.00 0.70 0.00 0.00 55.95 56.39 1ab2 s SER 48 Cb -0.06 -0.52 -0.02 0.00 -1.71 0.00 0.00 66.02 63.71 1ab2 s SER 48 CO -0.01 0.10 -0.19 -0.76 1.20 0.00 0.00 173.24 173.58 1ab2 s LEU 49 N 0.20 2.06 -0.09 3.45 1.02 -0.09 0.20 118.68 125.44 1ab2 s LEU 49 Ca -0.05 -0.38 0.01 0.00 0.02 0.00 0.00 54.13 53.73 1ab2 s LEU 49 Cb -0.11 -0.97 -0.02 0.00 0.02 0.00 0.00 46.19 45.11 1ab2 s LEU 49 CO 0.02 0.22 -0.12 -0.60 0.02 0.00 0.00 176.35 175.88 1ab2 s ARG 50 N -0.60 2.98 0.00 1.70 6.06 1.72 -0.06 118.95 130.76 1ab2 s ARG 50 Ca 0.07 -0.66 0.00 0.00 -2.50 0.00 0.00 55.73 52.65 1ab2 s ARG 50 Cb -0.08 -2.55 0.00 0.00 0.06 0.00 0.00 34.95 32.38 1ab2 s ARG 50 CO -0.00 0.44 0.00 0.66 -2.50 0.00 0.00 175.30 173.89 1ab2 n TYR 51 N 2.88 0.00 -0.51 5.12 4.02 0.54 -2.44 117.16 126.77 1ab2 n TYR 51 Ca -0.18 0.00 -0.06 0.00 -0.01 0.00 0.00 57.90 57.65 1ab2 n TYR 51 Cb 0.53 0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 39.76 1ab2 n TYR 51 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 1ab2 n GLU 52 N 0.00 1.01 0.00 -0.72 0.00 -1.26 -3.61 120.64 116.06 1ab2 n GLU 52 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 57.16 56.66 1ab2 n GLU 52 Cb 0.00 -1.74 0.00 0.00 0.00 0.00 0.00 31.44 29.70 1ab2 n GLU 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1ab2 n GLY 53 N 2.72 0.78 3.55 8.31 0.00 -1.26 -5.03 105.19 114.26 1ab2 n GLY 53 Ca 0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.90 1ab2 n GLY 53 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ab2 s ARG 54 N -0.57 2.83 -0.16 1.61 6.06 -1.24 -5.07 118.95 122.40 1ab2 s ARG 54 Ca 0.00 -0.58 -0.02 0.00 -2.50 0.00 0.00 55.73 52.64 1ab2 s ARG 54 Cb 0.00 -2.59 -0.01 0.00 0.06 0.00 0.00 34.95 32.41 1ab2 s ARG 54 CO 0.00 0.60 -0.09 0.08 -2.50 0.00 0.00 175.30 173.39 1ab2 s VAL 55 N -0.63 3.28 0.10 7.11 1.01 -1.26 0.20 120.40 130.21 1ab2 s VAL 55 Ca 0.09 -0.56 0.09 0.00 0.00 0.00 0.00 61.98 61.60 1ab2 s VAL 55 Cb -0.11 -2.42 -0.04 0.00 0.00 0.00 0.00 36.38 33.80 1ab2 s VAL 55 CO 0.02 0.49 -0.21 -0.31 0.00 0.00 0.00 175.10 175.09 1ab2 s TYR 56 N 0.69 2.47 -0.19 5.22 2.02 0.91 -5.00 117.35 123.47 1ab2 s TYR 56 Ca -0.05 -0.30 -0.00 0.00 -0.37 0.00 0.00 57.07 56.35 1ab2 s TYR 56 Cb -0.15 -1.35 0.05 0.00 -0.40 0.00 0.00 41.96 40.11 1ab2 s TYR 56 CO 0.02 0.32 -0.04 -1.01 -1.57 0.00 0.00 175.55 173.27 1ab2 s HIS 57 N -1.05 1.87 -0.24 2.71 3.76 -1.26 -0.91 115.29 120.17 1ab2 s HIS 57 Ca 0.16 -1.30 -0.05 0.00 -0.15 0.00 0.00 55.06 53.72 1ab2 s HIS 57 Cb -0.10 -1.38 -0.01 0.00 1.11 0.00 0.00 32.58 32.20 1ab2 s HIS 57 CO 0.07 -0.67 -0.00 -0.47 -0.85 0.00 0.00 174.74 172.82 1ab2 s TYR 58 N 1.58 3.02 0.35 1.40 5.04 -0.78 -5.00 117.35 122.95 1ab2 s TYR 58 Ca -0.02 -0.88 -0.26 0.00 -2.44 0.00 0.00 57.07 53.47 1ab2 s TYR 58 Cb -0.17 -2.15 -0.09 0.00 0.35 0.00 0.00 41.96 39.90 1ab2 s TYR 58 CO -0.07 -0.53 1.02 1.03 -1.34 0.00 0.00 175.55 175.67 1ab2 s ARG 59 N 1.50 4.40 0.49 4.97 0.52 -1.26 -1.91 118.95 127.67 1ab2 s ARG 59 Ca 0.05 1.51 -0.22 0.00 -0.52 0.00 0.00 55.73 56.56 1ab2 s ARG 59 Cb -0.15 -2.77 -0.07 0.00 0.52 0.00 0.00 34.95 32.49 1ab2 s ARG 59 CO -0.01 0.07 1.15 0.42 0.02 0.00 0.00 175.30 176.95 1ab2 s ILE 60 N -1.53 3.13 -0.17 1.52 -1.09 -1.06 -4.94 121.20 117.06 1ab2 s ILE 60 Ca 0.52 0.79 -0.02 0.00 -2.23 0.00 0.00 60.65 59.71 1ab2 s ILE 60 Cb -0.23 -3.37 -0.01 0.00 -1.58 0.00 0.00 42.46 37.27 1ab2 s ILE 60 CO 0.29 -0.07 -0.09 0.21 -1.23 0.00 0.00 174.94 174.06 1ab2 s ASN 61 N -1.52 4.20 0.10 3.58 2.47 -1.26 -4.95 114.94 117.57 1ab2 s ASN 61 Ca 0.67 -0.33 0.06 0.00 0.42 0.00 0.00 52.86 53.68 1ab2 s ASN 61 Cb -0.27 -1.68 -0.04 0.00 -1.45 0.00 0.00 41.25 37.81 1ab2 s ASN 61 CO 0.32 0.09 -0.05 -0.89 -3.72 0.00 0.00 177.10 172.85 1ab2 s THR 62 N 0.81 3.69 -1.47 -5.21 2.01 -1.26 0.08 115.64 114.29 1ab2 s THR 62 Ca -0.03 -1.16 0.03 0.00 0.31 0.00 0.00 61.69 60.84 1ab2 s THR 62 Cb -0.15 -2.76 0.13 0.00 0.01 0.00 0.00 72.50 69.74 1ab2 s THR 62 CO 0.01 0.09 0.92 0.00 -0.69 0.00 0.00 174.62 174.96 1ab2 n ALA 63 N 0.56 2.60 0.00 7.40 0.00 -0.82 -4.84 120.51 125.41 1ab2 n ALA 63 Ca -0.12 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.04 1ab2 n ALA 63 Cb 0.52 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.97 1ab2 n ALA 63 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ab2 n SER 64 N -0.01 0.00 0.20 0.00 2.88 -1.26 -4.71 113.62 110.72 1ab2 n SER 64 Ca 0.05 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.46 1ab2 n SER 64 Cb 0.25 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.64 1ab2 n SER 64 CO 0.00 0.00 0.00 -2.24 -1.23 0.00 0.00 175.04 171.57 1ab2 h ASP 65 N 0.00 -0.46 0.00 -3.46 3.04 -2.03 -3.48 116.42 110.03 1ab2 h ASP 65 Ca 0.00 -0.12 0.00 0.00 -3.24 0.00 0.00 57.03 53.67 1ab2 h ASP 65 Cb 0.00 0.12 0.00 0.00 -1.04 0.00 0.00 39.33 38.41 1ab2 h ASP 65 CO 0.00 -0.07 0.00 0.61 -2.04 0.00 0.00 179.24 177.74 1ab2 n GLY 66 N -0.24 0.85 3.63 7.15 0.00 -1.26 -5.14 105.19 110.17 1ab2 n GLY 66 Ca -0.10 -0.06 -0.41 0.00 0.00 0.00 0.00 46.02 45.46 1ab2 n GLY 66 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ab2 n LYS 67 N 0.00 1.41 -3.58 1.61 5.02 -1.26 -4.76 118.16 116.60 1ab2 n LYS 67 Ca 0.00 0.51 -0.40 0.00 -2.02 0.00 0.00 58.31 56.40 1ab2 n LYS 67 Cb 0.00 -2.14 -0.11 0.00 -0.02 0.00 0.00 35.03 32.76 1ab2 n LYS 67 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1ab2 s LEU 68 N -1.00 4.59 -0.27 -0.35 1.43 0.68 -1.94 118.68 121.82 1ab2 s LEU 68 Ca 0.65 -0.76 -0.01 0.00 -1.03 0.00 0.00 54.13 52.98 1ab2 s LEU 68 Cb -0.52 -2.06 0.08 0.00 0.03 0.00 0.00 46.19 43.72 1ab2 s LEU 68 CO 0.56 -0.32 0.07 -0.72 0.23 0.00 0.00 176.35 176.16 1ab2 s TYR 69 N 1.62 1.49 -0.51 0.29 1.13 0.11 0.11 117.35 121.59 1ab2 s TYR 69 Ca 0.04 -1.42 0.23 0.00 -1.41 0.00 0.00 57.07 54.50 1ab2 s TYR 69 Cb -0.18 -1.45 0.96 0.00 -1.10 0.00 0.00 41.96 40.18 1ab2 s TYR 69 CO 0.08 -0.78 1.69 0.28 -2.51 0.00 0.00 175.55 174.30 1ab2 n VAL 70 N 4.92 0.86 -3.76 -3.49 0.31 -1.22 -4.55 118.33 111.40 1ab2 n VAL 70 Ca -0.05 0.26 -0.12 0.00 -0.01 0.00 0.00 64.34 64.41 1ab2 n VAL 70 Cb 0.44 -1.18 -0.12 0.00 -0.91 0.00 0.00 33.84 32.06 1ab2 n VAL 70 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1ab2 s SER 71 N -4.13 -0.26 0.09 4.52 0.15 -1.17 -4.73 113.70 108.17 1ab2 s SER 71 Ca 0.04 0.51 0.05 0.00 0.70 0.00 0.00 55.95 57.25 1ab2 s SER 71 Cb 0.09 0.45 0.27 0.00 -1.71 0.00 0.00 66.02 65.13 1ab2 s SER 71 CO 0.37 -0.13 1.08 -1.20 1.20 0.00 0.00 173.24 174.56 1ab2 n SER 72 N 3.65 0.13 0.02 5.45 7.64 -1.26 0.15 113.62 129.40 1ab2 n SER 72 Ca -0.20 0.49 0.11 0.00 1.01 0.00 0.00 58.87 60.28 1ab2 n SER 72 Cb 0.55 -0.49 -0.07 0.00 -1.01 0.00 0.00 64.21 63.19 1ab2 n SER 72 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1ab2 n GLU 73 N -1.63 0.42 -3.72 1.43 0.28 -1.26 -4.83 120.64 111.33 1ab2 n GLU 73 Ca -0.00 -0.06 -0.24 0.00 -0.16 0.00 0.00 57.16 56.69 1ab2 n GLU 73 Cb 0.11 -1.58 -0.17 0.00 1.43 0.00 0.00 31.44 31.23 1ab2 n GLU 73 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 1ab2 s SER 74 N -4.17 2.00 0.04 -1.84 0.01 0.40 -5.13 113.70 105.01 1ab2 s SER 74 Ca -0.00 -0.34 0.07 0.00 1.31 0.00 0.00 55.95 56.98 1ab2 s SER 74 Cb 0.14 -0.41 -0.02 0.00 0.21 0.00 0.00 66.02 65.93 1ab2 s SER 74 CO 0.85 -0.26 -0.19 -0.13 0.41 0.00 0.00 173.24 173.93 1ab2 s ARG 75 N 1.99 1.29 0.26 12.44 0.52 -1.25 -3.02 118.95 131.18 1ab2 s ARG 75 Ca 0.03 -0.87 0.02 0.00 -0.52 0.00 0.00 55.73 54.39 1ab2 s ARG 75 Cb -0.14 -1.37 -0.04 0.00 0.52 0.00 0.00 34.95 33.92 1ab2 s ARG 75 CO -0.06 0.35 0.15 -0.06 0.02 0.00 0.00 175.30 175.69 1ab2 s PHE 76 N -0.77 1.44 -0.01 -0.53 0.08 0.30 -4.93 117.98 113.56 1ab2 s PHE 76 Ca 0.06 -1.36 0.01 0.00 0.12 0.00 0.00 56.93 55.76 1ab2 s PHE 76 Cb -0.08 -0.74 -0.02 0.00 -0.57 0.00 0.00 43.02 41.60 1ab2 s PHE 76 CO 0.01 -0.56 0.01 0.09 -0.10 0.00 0.00 175.22 174.67 1ab2 n ASN 77 N -0.65 4.62 -4.52 1.36 3.02 -1.26 0.25 115.26 118.07 1ab2 n ASN 77 Ca 0.02 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.23 1ab2 n ASN 77 Cb 0.65 0.61 -0.12 0.00 -0.61 0.00 0.00 39.78 40.31 1ab2 n ASN 77 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1ab2 s THR 78 N -2.05 3.50 0.14 3.41 2.01 -1.26 -4.67 115.64 116.73 1ab2 s THR 78 Ca -0.01 -0.54 -0.26 0.00 0.31 0.00 0.00 61.69 61.19 1ab2 s THR 78 Cb 0.01 -2.44 -0.01 0.00 0.01 0.00 0.00 72.50 70.07 1ab2 s THR 78 CO 0.06 0.57 1.60 0.17 -0.69 0.00 0.00 174.62 176.34 1ab2 h LEU 79 N 5.65 -1.09 -0.31 4.42 -0.00 -1.97 -0.81 115.31 121.21 1ab2 h LEU 79 Ca -0.43 0.16 0.06 0.00 -0.00 0.00 0.00 57.88 57.68 1ab2 h LEU 79 Cb 1.18 0.47 -0.08 0.00 -0.00 0.00 0.00 40.66 42.22 1ab2 h LEU 79 CO 0.54 -0.36 -0.41 0.00 -0.00 0.00 0.00 178.44 178.21 1ab2 h ALA 80 N 0.44 -0.45 -0.84 0.17 0.00 -1.98 0.12 119.26 116.73 1ab2 h ALA 80 Ca 0.11 0.04 0.21 0.00 0.00 0.00 0.00 54.91 55.27 1ab2 h ALA 80 Cb 0.56 0.82 -0.15 0.00 0.00 0.00 0.00 17.79 19.02 1ab2 h ALA 80 CO -0.41 -0.86 0.03 0.93 0.00 0.00 0.00 179.25 178.94 1ab2 h GLU 81 N -0.37 0.09 0.40 0.00 4.39 -1.71 1.88 114.58 119.27 1ab2 h GLU 81 Ca 0.12 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.80 1ab2 h GLU 81 Cb 0.59 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.21 1ab2 h GLU 81 CO -0.51 0.06 -0.28 1.25 -1.16 0.00 0.00 179.01 178.38 1ab2 h LEU 82 N 0.09 -0.71 -1.03 1.33 6.46 0.52 -1.69 115.31 120.28 1ab2 h LEU 82 Ca 0.48 0.05 0.03 0.00 -0.12 0.00 0.00 57.88 58.32 1ab2 h LEU 82 Cb 0.90 0.22 -0.05 0.00 -0.73 0.00 0.00 40.66 41.00 1ab2 h LEU 82 CO -0.74 -0.43 0.65 1.62 -0.62 0.00 0.00 178.44 178.92 1ab2 h VAL 83 N -0.67 1.21 -0.49 1.05 3.04 0.11 0.25 116.25 120.76 1ab2 h VAL 83 Ca -0.04 -0.44 0.10 0.00 -1.01 0.00 0.00 66.70 65.31 1ab2 h VAL 83 Cb 0.56 -0.20 -0.10 0.00 -2.01 0.00 0.00 31.29 29.54 1ab2 h VAL 83 CO 0.02 0.24 -0.22 -0.74 -1.01 0.00 0.00 177.57 175.86 1ab2 h HIS 84 N 1.29 -0.56 -0.24 3.17 2.76 0.34 2.35 115.15 124.26 1ab2 h HIS 84 Ca 0.38 0.05 -0.19 0.00 -2.20 0.00 0.00 60.37 58.42 1ab2 h HIS 84 Cb -0.06 0.32 0.00 0.00 1.55 0.00 0.00 27.41 29.22 1ab2 h HIS 84 CO -0.00 -0.30 -0.58 1.25 -1.30 0.00 0.00 177.93 177.00 1ab2 h HIS 85 N -0.11 1.04 0.00 5.26 -0.00 -0.68 -2.51 115.15 118.15 1ab2 h HIS 85 Ca 0.23 -0.40 0.00 0.00 -0.00 0.00 0.00 60.37 60.20 1ab2 h HIS 85 Cb 0.47 -0.19 0.00 0.00 -0.00 0.00 0.00 27.41 27.69 1ab2 h HIS 85 CO -0.50 1.22 0.00 0.72 -0.00 0.00 0.00 177.93 179.37 1ab2 n HIS 86 N -4.04 0.00 0.02 5.26 -0.00 0.83 0.23 115.22 117.52 1ab2 n HIS 86 Ca -0.05 0.00 0.02 0.00 -0.00 0.00 0.00 57.72 57.68 1ab2 n HIS 86 Cb 0.64 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.54 1ab2 n HIS 86 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1ab2 n SER 87 N -0.65 0.61 0.00 0.41 2.88 0.77 -3.82 113.62 113.82 1ab2 n SER 87 Ca 0.06 0.26 0.00 0.00 -1.33 0.00 0.00 58.87 57.87 1ab2 n SER 87 Cb 0.03 0.59 0.00 0.00 -0.75 0.00 0.00 64.21 64.08 1ab2 n SER 87 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1ab2 n THR 88 N -2.75 0.00 -3.62 2.46 -2.24 -1.02 -4.72 114.28 102.40 1ab2 n THR 88 Ca -0.11 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.39 1ab2 n THR 88 Cb 0.81 -0.60 -0.12 0.00 -2.10 0.00 0.00 70.33 68.32 1ab2 n THR 88 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1ab2 s VAL 89 N -1.89 1.25 -0.69 2.28 1.01 0.14 -5.02 120.40 117.47 1ab2 s VAL 89 Ca 0.00 -2.92 -0.24 0.00 0.00 0.00 0.00 61.98 58.82 1ab2 s VAL 89 Cb 0.00 -1.85 -0.20 0.00 0.00 0.00 0.00 36.38 34.33 1ab2 s VAL 89 CO 0.00 -1.06 1.87 0.00 0.00 0.00 0.00 175.10 175.91 1ab2 n ALA 90 N 2.96 2.48 0.42 5.51 0.00 -1.25 -4.00 120.51 126.64 1ab2 n ALA 90 Ca 0.19 -3.11 0.07 0.00 0.00 0.00 0.00 53.44 50.60 1ab2 n ALA 90 Cb 0.40 -3.63 0.32 0.00 0.00 0.00 0.00 19.45 16.54 1ab2 n ALA 90 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1ab2 n ASP 91 N 9.27 0.15 0.01 0.00 5.68 -1.26 -4.10 116.55 126.29 1ab2 n ASP 91 Ca 0.48 0.54 0.00 0.00 -0.50 0.00 0.00 54.79 55.31 1ab2 n ASP 91 Cb 0.42 -0.57 0.00 0.00 -1.14 0.00 0.00 41.12 39.83 1ab2 n ASP 91 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ab2 n GLY 92 N -0.18 0.08 3.77 6.12 0.00 -1.26 -4.73 105.19 108.98 1ab2 n GLY 92 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 1ab2 n GLY 92 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ab2 s LEU 93 N -5.26 4.47 0.00 0.99 1.43 -1.26 -4.98 118.68 114.07 1ab2 s LEU 93 Ca 0.00 2.56 0.00 0.00 -1.03 0.00 0.00 54.13 55.66 1ab2 s LEU 93 Cb 0.00 -3.64 0.00 0.00 0.03 0.00 0.00 46.19 42.58 1ab2 s LEU 93 CO 0.00 -0.41 0.35 0.00 0.23 0.00 0.00 176.35 176.52 1ab2 n ILE 94 N 0.95 0.00 -1.64 -0.59 3.06 -1.26 -4.55 119.36 115.33 1ab2 n ILE 94 Ca -0.00 0.85 -0.30 0.00 -2.50 0.00 0.00 62.75 60.80 1ab2 n ILE 94 Cb 0.43 -1.65 0.07 0.00 0.54 0.00 0.00 39.64 39.03 1ab2 n ILE 94 CO 0.00 0.00 0.00 0.28 -2.50 0.00 0.00 176.55 174.33 1ab2 s THR 95 N -0.71 3.31 -0.23 9.51 -1.32 -1.26 -4.77 115.64 120.17 1ab2 s THR 95 Ca 0.00 0.42 -0.05 0.00 -1.21 0.00 0.00 61.69 60.85 1ab2 s THR 95 Cb 0.00 -3.23 -0.02 0.00 -1.51 0.00 0.00 72.50 67.74 1ab2 s THR 95 CO 0.00 -0.55 0.00 0.42 -2.21 0.00 0.00 174.62 172.28 1ab2 s THR 96 N -3.19 3.78 0.04 5.08 -4.23 -1.26 -4.88 115.64 110.97 1ab2 s THR 96 Ca 0.60 -0.36 -0.23 0.00 -1.18 0.00 0.00 61.69 60.52 1ab2 s THR 96 Cb -0.13 -2.74 -0.12 0.00 1.34 0.00 0.00 72.50 70.85 1ab2 s THR 96 CO 0.54 0.40 0.58 0.00 -0.54 0.00 0.00 174.62 175.59 1ab2 n LEU 97 N 4.76 -0.25 -2.81 4.79 -0.00 -1.25 -4.86 117.00 117.38 1ab2 n LEU 97 Ca -0.17 0.74 -0.01 0.00 -0.00 0.00 0.00 56.01 56.56 1ab2 n LEU 97 Cb 0.51 -0.59 0.05 0.00 -0.00 0.00 0.00 43.42 43.38 1ab2 n LEU 97 CO 0.30 -1.43 -0.02 1.57 -0.00 0.00 0.00 177.39 177.81 1ab2 n HIS 98 N 0.67 1.27 -2.69 1.47 -0.00 -1.26 -4.87 115.22 109.82 1ab2 n HIS 98 Ca 0.12 -2.19 -0.07 0.00 0.46 0.00 0.00 57.72 56.04 1ab2 n HIS 98 Cb 0.08 -0.24 0.06 0.00 -0.12 0.00 0.00 29.99 29.77 1ab2 n HIS 98 CO 0.00 0.00 0.00 0.98 0.46 0.00 0.00 176.34 177.78 1ab2 n TYR 99 N -0.56 -0.01 -0.31 1.57 9.36 -1.26 -4.58 117.16 121.37 1ab2 n TYR 99 Ca 0.08 -2.44 0.00 0.00 3.32 0.00 0.00 57.90 58.86 1ab2 n TYR 99 Cb 0.80 0.28 0.00 0.00 -0.63 0.00 0.00 39.34 39.80 1ab2 n TYR 99 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1ab2 n PRO 100 N -0.33 0.75 -2.54 2.98 -0.04 -1.26 -4.55 135.00 130.01 1ab2 n PRO 100 Ca 0.04 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.07 1ab2 n PRO 100 Cb 0.83 -1.13 -0.02 0.00 -0.04 0.00 0.00 33.50 33.14 1ab2 n PRO 100 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ab2 s ALA 101 N 0.49 3.33 -0.43 0.55 0.00 0.52 -4.49 121.76 121.72 1ab2 s ALA 101 Ca 0.00 -0.13 -0.29 0.00 0.00 0.00 0.00 51.96 51.54 1ab2 s ALA 101 Cb 0.00 -3.79 0.01 0.00 0.00 0.00 0.00 23.12 19.34 1ab2 s ALA 101 CO 0.00 -1.85 1.42 -1.25 0.00 0.00 0.00 175.76 174.08 1ab2 s PRO 102 N 4.12 3.52 0.27 0.00 0.04 -0.94 -4.22 135.00 137.80 1ab2 s PRO 102 Ca 0.50 0.87 0.02 0.00 0.04 0.00 0.00 61.00 62.43 1ab2 s PRO 102 Cb -0.12 -4.04 -0.03 0.00 0.04 0.00 0.00 34.50 30.34 1ab2 s PRO 102 CO 0.23 -1.63 0.43 -1.59 0.04 0.00 0.00 177.00 174.48 1ab2 s LYS 103 N 5.05 3.47 -0.20 4.56 0.00 -1.26 -5.05 119.74 126.31 1ab2 s LYS 103 Ca 0.60 -0.52 -0.17 0.00 0.00 0.00 0.00 55.97 55.88 1ab2 s LYS 103 Cb -0.13 -2.80 -0.07 0.00 0.00 0.00 0.00 37.83 34.83 1ab2 s LYS 103 CO 0.32 0.32 -0.33 0.54 0.00 0.00 0.00 175.35 176.20 1ab2 n ARG 104 N -1.38 0.54 0.00 1.78 3.00 -1.26 -4.99 116.66 114.34 1ab2 n ARG 104 Ca -0.07 0.25 0.00 0.00 -0.01 0.00 0.00 57.85 58.02 1ab2 n ARG 104 Cb 0.56 -1.46 0.00 0.00 0.00 0.00 0.00 32.46 31.56 1ab2 n ARG 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1ab2 n GLY 105 N 1.43 3.80 3.17 -0.13 0.00 -1.26 -4.64 105.19 107.56 1ab2 n GLY 105 Ca -0.22 -0.22 -0.34 0.00 0.00 0.00 0.00 46.02 45.23 1ab2 n GLY 105 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1ab2 s ILE 106 N 0.00 2.86 0.02 -0.61 1.10 -1.26 -5.00 121.20 118.31 1ab2 s ILE 106 Ca 0.00 -1.27 -0.22 0.00 -0.51 0.00 0.00 60.65 58.65 1ab2 s ILE 106 Cb 0.00 -2.57 -0.12 0.00 0.15 0.00 0.00 42.46 39.91 1ab2 s ILE 106 CO 0.00 0.02 1.10 1.12 -2.11 0.00 0.00 174.94 175.07 1ab2 h HIS 107 N 7.98 -0.74 0.00 3.50 2.07 -2.05 -3.45 115.15 122.46 1ab2 h HIS 107 Ca -0.25 -0.02 0.00 0.00 -2.85 0.00 0.00 60.37 57.25 1ab2 h HIS 107 Cb 1.08 0.24 0.00 0.00 2.57 0.00 0.00 27.41 31.30 1ab2 h HIS 107 CO 0.60 -0.46 0.00 -2.13 -3.07 0.00 0.00 177.93 172.88 1ab2 n ARG 108 N -4.60 0.00 0.00 5.12 3.00 -1.26 -5.24 116.66 113.69 1ab2 n ARG 108 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.75 1ab2 n ARG 108 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.77 1ab2 n ARG 108 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38