#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d89 s SER 2 N 0.00 4.51 0.19 1.61 0.01 -1.26 -5.01 113.70 113.75 2d89 s SER 2 Ca 0.00 -1.61 -0.25 0.00 1.31 0.00 0.00 55.95 55.40 2d89 s SER 2 Cb 0.00 -1.55 0.06 0.00 0.21 0.00 0.00 66.02 64.74 2d89 s SER 2 CO 0.00 -0.25 1.55 -1.28 0.41 0.00 0.00 173.24 173.67 2d89 h SER 3 N 7.74 -1.83 0.00 2.44 0.87 -2.05 -3.47 113.55 117.25 2d89 h SER 3 Ca -0.15 0.32 0.00 0.00 -1.23 0.00 0.00 61.79 60.73 2d89 h SER 3 Cb 1.04 0.86 0.00 0.00 -0.44 0.00 0.00 62.40 63.86 2d89 h SER 3 CO 0.47 -0.26 0.00 0.61 -0.53 0.00 0.00 176.83 177.12 2d89 n GLY 4 N -1.35 -0.51 3.24 5.77 0.00 -1.26 -5.07 105.19 106.01 2d89 n GLY 4 Ca 0.05 -0.95 -0.43 0.00 0.00 0.00 0.00 46.02 44.70 2d89 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d89 s SER 5 N -4.00 5.94 -0.18 1.61 0.01 -1.26 -4.90 113.70 110.93 2d89 s SER 5 Ca 0.00 -2.08 -0.20 0.00 1.31 0.00 0.00 55.95 54.98 2d89 s SER 5 Cb 0.00 -2.08 -0.22 0.00 0.21 0.00 0.00 66.02 63.93 2d89 s SER 5 CO 0.00 -0.69 0.35 0.28 0.41 0.00 0.00 173.24 173.59 2d89 h SER 6 N 8.34 0.10 -1.93 2.44 0.02 -2.01 -3.51 113.55 116.99 2d89 h SER 6 Ca -0.17 -0.66 0.00 0.00 -0.84 0.00 0.00 61.79 60.12 2d89 h SER 6 Cb 1.06 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.57 2d89 h SER 6 CO 0.88 1.49 0.00 0.61 -1.14 0.00 0.00 176.83 178.67 2d89 n GLY 7 N 1.55 0.94 3.56 -3.77 0.00 -1.26 -5.01 105.19 101.19 2d89 n GLY 7 Ca -0.28 -1.93 -0.30 0.00 0.00 0.00 0.00 46.02 43.51 2d89 n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2d89 s PRO 8 N -1.83 2.58 0.34 1.61 0.04 -1.26 -4.58 135.00 131.89 2d89 s PRO 8 Ca 0.00 -0.02 -0.00 0.00 0.04 0.00 0.00 61.00 61.02 2d89 s PRO 8 Cb 0.00 -4.86 -0.04 0.00 0.04 0.00 0.00 34.50 29.65 2d89 s PRO 8 CO 0.00 -3.18 0.55 -0.80 0.04 0.00 0.00 177.00 173.60 2d89 s ASN 9 N 8.06 6.31 -0.85 6.66 0.01 -1.26 -4.94 114.94 128.93 2d89 s ASN 9 Ca 0.69 0.48 -0.21 0.00 -0.71 0.00 0.00 52.86 53.11 2d89 s ASN 9 Cb -0.08 -2.04 -0.21 0.00 0.41 0.00 0.00 41.25 39.32 2d89 s ASN 9 CO 0.06 -0.28 2.38 0.00 -1.51 0.00 0.00 177.10 177.75 2d89 n ALA 10 N -1.66 0.68 -4.36 0.60 0.00 -1.26 -2.30 120.51 112.21 2d89 n ALA 10 Ca -0.04 -0.91 -0.38 0.00 0.00 0.00 0.00 53.44 52.11 2d89 n ALA 10 Cb 0.56 -2.78 -0.08 0.00 0.00 0.00 0.00 19.45 17.15 2d89 n ALA 10 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2d89 n SER 11 N 12.20 -0.95 0.00 0.00 7.64 -1.26 -4.72 113.62 126.52 2d89 n SER 11 Ca 0.56 -1.20 0.00 0.00 1.01 0.00 0.00 58.87 59.24 2d89 n SER 11 Cb 0.27 -1.52 0.00 0.00 -1.01 0.00 0.00 64.21 61.95 2d89 n SER 11 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 2d89 n GLN 12 N -4.05 2.20 -0.26 1.43 7.27 -0.97 -4.69 117.38 118.31 2d89 n GLN 12 Ca -0.01 0.00 -0.07 0.00 0.07 0.00 0.00 57.00 56.99 2d89 n GLN 12 Cb 0.50 -0.92 0.05 0.00 2.41 0.00 0.00 30.24 32.28 2d89 n GLN 12 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 2d89 h SER 13 N 0.00 1.04 0.63 1.69 4.64 -1.81 -2.66 113.55 117.08 2d89 h SER 13 Ca 0.00 -0.20 -0.03 0.00 -0.47 0.00 0.00 61.79 61.09 2d89 h SER 13 Cb 0.83 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.64 2d89 h SER 13 CO 0.00 0.97 -0.44 0.25 -0.87 0.00 0.00 176.83 176.74 2d89 h LEU 14 N 1.06 -1.13 -2.08 5.97 5.85 -1.87 0.79 115.31 123.90 2d89 h LEU 14 Ca 0.23 0.07 0.02 0.00 0.84 0.00 0.00 57.88 59.04 2d89 h LEU 14 Cb 0.29 0.34 -0.00 0.00 0.37 0.00 0.00 40.66 41.66 2d89 h LEU 14 CO -0.01 -0.64 0.32 0.25 -0.34 0.00 0.00 178.44 178.02 2d89 h LEU 15 N -1.01 0.00 0.02 2.25 5.85 -1.83 0.21 115.31 120.80 2d89 h LEU 15 Ca -0.08 0.00 -0.31 0.00 0.84 0.00 0.00 57.88 58.33 2d89 h LEU 15 Cb 0.83 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.81 2d89 h LEU 15 CO 0.05 0.00 -1.81 0.52 -0.34 0.00 0.00 178.44 176.86 2d89 n VAL 16 N -3.04 1.63 -0.11 1.05 0.31 -0.59 -3.26 118.33 114.32 2d89 n VAL 16 Ca -0.01 -0.77 -0.10 0.00 -0.01 0.00 0.00 64.34 63.45 2d89 n VAL 16 Cb 0.39 -1.14 -0.03 0.00 -0.91 0.00 0.00 33.84 32.15 2d89 n VAL 16 CO 0.00 0.00 0.00 -0.25 -1.32 0.00 0.00 176.83 175.26 2d89 h TRP 17 N 0.01 0.57 -0.04 3.52 7.01 0.38 0.62 115.95 128.03 2d89 h TRP 17 Ca -0.33 -0.08 -0.14 0.00 2.11 0.00 0.00 58.89 60.45 2d89 h TRP 17 Cb 2.03 -0.16 -0.01 0.00 -2.10 0.00 0.00 29.16 28.92 2d89 h TRP 17 CO 0.02 0.62 -0.61 0.00 -2.79 0.00 0.00 178.44 175.67 2d89 h LYS 19 N 0.10 0.00 -0.01 0.00 1.57 -1.50 -2.85 116.57 113.88 2d89 h LYS 19 Ca -0.01 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2d89 h LYS 19 Cb 1.09 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.41 2d89 h LYS 19 CO 0.09 0.97 -0.01 1.49 -0.57 0.00 0.00 179.45 181.42 2d89 h GLU 20 N 0.00 0.02 0.00 3.15 4.81 0.34 0.64 114.58 123.54 2d89 h GLU 20 Ca -0.03 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.15 2d89 h GLU 20 Cb 1.79 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 31.16 2d89 h GLU 20 CO 0.13 0.47 -0.21 -0.39 -0.73 0.00 0.00 179.01 178.28 2d89 h VAL 21 N -0.44 0.69 -0.41 0.32 -1.51 -1.58 -2.53 116.25 110.78 2d89 h VAL 21 Ca 0.00 -0.91 -0.07 0.00 -1.23 0.00 0.00 66.70 64.49 2d89 h VAL 21 Cb 0.47 1.58 -0.04 0.00 -2.13 0.00 0.00 31.29 31.16 2d89 h VAL 21 CO 0.00 0.21 0.05 0.35 -1.23 0.00 0.00 177.57 176.95 2d89 n THR 22 N -3.61 2.53 -0.07 7.19 -2.24 -1.08 -4.58 114.28 112.42 2d89 n THR 22 Ca -0.01 -1.90 0.01 0.00 -2.27 0.00 0.00 64.05 59.88 2d89 n THR 22 Cb 0.35 -0.29 0.30 0.00 -2.10 0.00 0.00 70.33 68.59 2d89 n THR 22 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 2d89 h LYS 23 N 2.14 0.68 -1.61 -0.78 2.10 -0.41 -2.76 116.57 115.94 2d89 h LYS 23 Ca 0.09 -0.09 -0.70 0.00 -2.00 0.00 0.00 60.65 57.95 2d89 h LYS 23 Cb 1.74 -0.13 -0.32 0.00 -0.90 0.00 0.00 32.23 32.62 2d89 h LYS 23 CO 0.39 0.56 0.49 0.09 -2.00 0.00 0.00 179.45 178.98 2d89 n ASN 24 N -4.36 6.75 -4.79 7.07 5.03 -1.26 -4.99 115.26 118.71 2d89 n ASN 24 Ca 0.04 -3.80 -0.33 0.00 0.87 0.00 0.00 54.58 51.36 2d89 n ASN 24 Cb 0.14 -0.86 -0.07 0.00 -1.02 0.00 0.00 39.78 37.97 2d89 n ASN 24 CO 0.00 0.00 0.00 -0.31 -1.83 0.00 0.00 177.26 175.12 2d89 s TYR 25 N -3.88 1.76 -0.11 3.10 1.51 -1.04 -5.15 117.35 113.54 2d89 s TYR 25 Ca 0.53 -0.99 0.02 0.00 -1.01 0.00 0.00 57.07 55.63 2d89 s TYR 25 Cb 0.44 -1.60 0.01 0.00 -0.11 0.00 0.00 41.96 40.70 2d89 s TYR 25 CO -0.26 0.17 -0.19 1.03 -1.11 0.00 0.00 175.55 175.19 2d89 s ARG 26 N -3.92 2.60 -0.59 -0.62 3.00 -1.26 -4.70 118.95 113.47 2d89 s ARG 26 Ca 0.03 -0.71 -0.01 0.00 0.00 0.00 0.00 55.73 55.04 2d89 s ARG 26 Cb 0.00 -2.11 0.00 0.00 0.00 0.00 0.00 34.95 32.84 2d89 s ARG 26 CO 0.02 0.01 0.09 0.41 0.00 0.00 0.00 175.30 175.83 2d89 n GLY 27 N 4.00 0.15 2.96 -3.53 0.00 -1.26 -5.00 105.19 102.51 2d89 n GLY 27 Ca -0.20 -0.53 -0.30 0.00 0.00 0.00 0.00 46.02 44.99 2d89 n GLY 27 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2d89 s VAL 28 N -2.53 2.79 -0.61 1.61 1.01 -1.26 -4.95 120.40 116.46 2d89 s VAL 28 Ca 0.05 -3.50 0.04 0.00 0.00 0.00 0.00 61.98 58.57 2d89 s VAL 28 Cb -0.02 -2.89 0.15 0.00 0.00 0.00 0.00 36.38 33.61 2d89 s VAL 28 CO 0.06 -0.85 0.37 -0.75 0.00 0.00 0.00 175.10 173.93 2d89 s LYS 29 N -0.53 2.23 -0.88 2.72 2.20 -1.26 -4.98 119.74 119.23 2d89 s LYS 29 Ca 0.19 -2.94 -0.23 0.00 -0.36 0.00 0.00 55.97 52.63 2d89 s LYS 29 Cb -0.21 -3.39 -0.15 0.00 -1.51 0.00 0.00 37.83 32.57 2d89 s LYS 29 CO -0.04 -1.19 1.91 -0.89 -0.36 0.00 0.00 175.35 174.78 2d89 n ILE 30 N 2.63 1.62 0.05 5.43 -0.00 -1.26 -4.58 119.36 123.26 2d89 n ILE 30 Ca 0.11 -1.54 -0.08 0.00 -0.00 0.00 0.00 62.75 61.24 2d89 n ILE 30 Cb 0.33 -2.22 -0.13 0.00 -0.00 0.00 0.00 39.64 37.63 2d89 n ILE 30 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2d89 h THR 31 N 5.27 1.56 -4.82 1.39 1.03 -1.95 -3.48 112.91 111.91 2d89 h THR 31 Ca 0.31 -3.27 -0.49 0.00 -0.01 0.00 0.00 66.41 62.95 2d89 h THR 31 Cb 0.79 2.79 -0.12 0.00 -1.07 0.00 0.00 68.15 70.54 2d89 h THR 31 CO 1.64 0.90 -0.46 0.59 -0.01 0.00 0.00 175.52 178.18 2d89 n ASN 32 N -3.33 -0.20 -0.55 0.00 3.02 -1.26 -5.06 115.26 107.89 2d89 n ASN 32 Ca -0.04 -3.15 0.06 0.00 -0.03 0.00 0.00 54.58 51.42 2d89 n ASN 32 Cb 0.97 1.48 0.19 0.00 -0.61 0.00 0.00 39.78 41.81 2d89 n ASN 32 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 2d89 n PHE 33 N -0.70 0.32 0.00 3.10 3.72 -1.26 -4.44 117.46 118.20 2d89 n PHE 33 Ca 0.04 -1.25 0.00 0.00 -0.05 0.00 0.00 57.45 56.19 2d89 n PHE 33 Cb 0.60 -0.26 0.00 0.00 -0.94 0.00 0.00 39.48 38.87 2d89 n PHE 33 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 2d89 n THR 34 N -1.15 0.00 -0.03 4.37 -2.24 -1.26 -4.39 114.28 109.57 2d89 n THR 34 Ca 0.21 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.84 2d89 n THR 34 Cb 0.76 -0.70 -0.11 0.00 -2.10 0.00 0.00 70.33 68.18 2d89 n THR 34 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 2d89 h THR 35 N 0.00 1.53 -0.46 4.28 1.35 -1.88 0.00 112.91 117.73 2d89 h THR 35 Ca 0.00 -1.86 0.13 0.00 -0.55 0.00 0.00 66.41 64.13 2d89 h THR 35 Cb 0.00 2.69 -0.02 0.00 -1.73 0.00 0.00 68.15 69.09 2d89 h THR 35 CO 0.00 0.51 0.86 -1.28 -0.25 0.00 0.00 175.52 175.36 2d89 h SER 36 N -0.48 0.00 0.00 5.36 0.87 -1.91 0.63 113.55 118.02 2d89 h SER 36 Ca -0.02 0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.45 2d89 h SER 36 Cb 0.95 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.89 2d89 h SER 36 CO 0.04 0.00 -1.55 0.79 -0.53 0.00 0.00 176.83 175.58 2d89 n TRP 37 N -3.07 0.00 -0.32 2.24 7.02 -1.20 -4.40 117.44 117.71 2d89 n TRP 37 Ca 0.10 0.00 0.08 0.00 -1.02 0.00 0.00 57.50 56.66 2d89 n TRP 37 Cb 1.02 -0.35 0.18 0.00 -2.42 0.00 0.00 31.31 29.74 2d89 n TRP 37 CO 0.00 0.00 0.00 -2.13 -2.02 0.00 0.00 177.69 173.54 2d89 n ARG 38 N -2.10 -0.08 -0.07 -0.99 0.63 0.22 0.78 116.66 115.05 2d89 n ARG 38 Ca -0.09 1.37 -0.12 0.00 -0.92 0.00 0.00 57.85 58.10 2d89 n ARG 38 Cb 0.54 -2.10 -0.05 0.00 0.45 0.00 0.00 32.46 31.30 2d89 n ARG 38 CO 0.00 0.00 0.00 -2.95 -2.51 0.00 0.00 177.63 172.17 2d89 h ASN 39 N 0.00 0.40 0.00 6.15 7.08 -1.82 -3.46 115.58 123.93 2d89 h ASN 39 Ca 0.47 -0.35 0.00 0.00 -3.08 0.00 0.00 56.30 53.34 2d89 h ASN 39 Cb 0.83 -0.11 0.00 0.00 -2.08 0.00 0.00 38.32 36.97 2d89 h ASN 39 CO -0.89 0.65 0.00 0.61 -2.08 0.00 0.00 177.43 175.72 2d89 n GLY 40 N -0.20 1.96 0.07 9.14 0.00 0.23 -4.04 105.19 112.35 2d89 n GLY 40 Ca -0.04 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.97 2d89 n GLY 40 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2d89 h LEU 41 N 0.00 -0.06 -1.74 0.99 3.38 -1.79 -3.15 115.31 112.94 2d89 h LEU 41 Ca 0.00 0.00 0.25 0.00 0.09 0.00 0.00 57.88 58.22 2d89 h LEU 41 Cb 0.00 0.02 -0.06 0.00 0.09 0.00 0.00 40.66 40.71 2d89 h LEU 41 CO 0.00 0.36 0.64 0.28 0.09 0.00 0.00 178.44 179.82 2d89 h SER 42 N -0.89 0.20 -0.28 -0.43 0.02 -1.92 0.27 113.55 110.53 2d89 h SER 42 Ca -0.01 0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 60.94 2d89 h SER 42 Cb 0.06 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 2d89 h SER 42 CO 0.01 0.07 0.08 -0.26 -1.14 0.00 0.00 176.83 175.59 2d89 h PHE 43 N 0.19 0.46 -0.04 3.45 0.04 -1.92 -1.22 116.94 117.90 2d89 h PHE 43 Ca 0.47 -0.05 -0.22 0.00 2.80 0.00 0.00 57.97 60.97 2d89 h PHE 43 Cb 1.53 -0.13 0.01 0.00 2.20 0.00 0.00 35.95 39.55 2d89 h PHE 43 CO -0.00 0.50 -0.89 0.00 -0.60 0.00 0.00 178.31 177.32 2d89 h ALA 45 N 0.69 0.33 0.74 0.00 0.00 -0.50 -0.05 119.26 120.47 2d89 h ALA 45 Ca -0.07 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 2d89 h ALA 45 Cb 1.52 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 2d89 h ALA 45 CO 0.16 -0.18 -0.48 0.82 0.00 0.00 0.00 179.25 179.58 2d89 h ILE 46 N 0.34 0.05 -0.13 0.00 2.04 -1.28 0.11 117.51 118.64 2d89 h ILE 46 Ca 0.09 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.99 2d89 h ILE 46 Cb -0.01 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.11 2d89 h ILE 46 CO -0.02 0.00 0.14 0.25 0.00 0.00 0.00 178.15 178.52 2d89 h LEU 47 N -1.15 0.00 0.00 1.44 5.85 -1.51 0.19 115.31 120.13 2d89 h LEU 47 Ca -0.10 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.60 2d89 h LEU 47 Cb 0.93 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.96 2d89 h LEU 47 CO 0.09 0.00 -0.27 -0.74 -0.34 0.00 0.00 178.44 177.17 2d89 h HIS 48 N 0.00 0.00 0.66 1.25 2.76 -0.28 -2.48 115.15 117.06 2d89 h HIS 48 Ca 0.06 0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.20 2d89 h HIS 48 Cb 0.35 0.00 0.01 0.00 1.55 0.00 0.00 27.41 29.32 2d89 h HIS 48 CO 0.00 0.11 -0.32 1.25 -1.30 0.00 0.00 177.93 177.68 2d89 h HIS 49 N 0.00 -0.82 -0.19 5.26 -0.00 0.20 -0.66 115.15 118.95 2d89 h HIS 49 Ca -0.01 -0.02 -0.16 0.00 -0.00 0.00 0.00 60.37 60.18 2d89 h HIS 49 Cb 1.09 0.27 0.00 0.00 -0.00 0.00 0.00 27.41 28.78 2d89 h HIS 49 CO 0.00 -0.49 -0.51 0.74 -0.00 0.00 0.00 177.93 177.68 2d89 h PHE 50 N -1.19 0.88 -2.66 5.26 0.04 -1.68 -3.39 116.94 114.20 2d89 h PHE 50 Ca -0.09 -0.34 -0.60 0.00 2.80 0.00 0.00 57.97 59.74 2d89 h PHE 50 Cb 0.70 -0.15 -0.39 0.00 2.20 0.00 0.00 35.95 38.30 2d89 h PHE 50 CO 0.00 1.13 -0.83 0.50 -0.60 0.00 0.00 178.31 178.51 2d89 s ARG 51 N -3.95 1.22 0.00 1.51 6.06 -0.93 -4.95 118.95 117.91 2d89 s ARG 51 Ca -0.12 -2.21 0.16 0.00 -2.50 0.00 0.00 55.73 51.06 2d89 s ARG 51 Cb 0.08 -1.96 0.91 0.00 0.06 0.00 0.00 34.95 34.03 2d89 s ARG 51 CO 0.85 -1.30 1.35 -0.35 -2.50 0.00 0.00 175.30 173.36 2d89 n PRO 52 N 3.00 0.45 -0.59 5.12 -0.04 -0.25 -2.16 135.00 140.52 2d89 n PRO 52 Ca 0.21 0.02 0.10 0.00 -0.04 0.00 0.00 63.50 63.79 2d89 n PRO 52 Cb 0.41 -1.50 0.35 0.00 -0.04 0.00 0.00 33.50 32.73 2d89 n PRO 52 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2d89 n ASP 53 N -1.04 4.68 -0.05 3.54 2.03 -1.26 -4.19 116.55 120.26 2d89 n ASP 53 Ca 0.11 -2.41 -0.03 0.00 0.52 0.00 0.00 54.79 52.98 2d89 n ASP 53 Cb 0.06 -0.57 -0.11 0.00 -0.72 0.00 0.00 41.12 39.78 2d89 n ASP 53 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2d89 n LEU 54 N 1.15 0.00 0.00 -2.67 4.77 -0.92 -5.04 117.00 114.29 2d89 n LEU 54 Ca 0.26 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 56.06 2d89 n LEU 54 Cb 0.87 0.26 -0.05 0.00 -2.33 0.00 0.00 43.42 42.17 2d89 n LEU 54 CO 0.23 0.26 -0.12 -0.38 -1.33 0.00 0.00 177.39 176.05 2d89 n ILE 55 N -2.39 0.00 -1.38 -0.08 -0.00 -1.26 -4.92 119.36 109.32 2d89 n ILE 55 Ca -0.18 -1.53 0.05 0.00 -0.00 0.00 0.00 62.75 61.09 2d89 n ILE 55 Cb 0.81 0.48 0.20 0.00 -0.00 0.00 0.00 39.64 41.13 2d89 n ILE 55 CO 0.00 0.00 0.00 -0.67 -0.00 0.00 0.00 176.55 175.88 2d89 n ASP 56 N -1.57 2.26 0.33 4.38 2.03 -1.26 -4.74 116.55 117.98 2d89 n ASP 56 Ca -0.06 -3.60 0.13 0.00 0.52 0.00 0.00 54.79 51.77 2d89 n ASP 56 Cb 0.40 -0.54 0.68 0.00 -0.72 0.00 0.00 41.12 40.94 2d89 n ASP 56 CO 0.00 0.00 0.00 0.22 -1.92 0.00 0.00 177.20 175.50 2d89 h TYR 57 N 0.85 0.00 -0.09 -0.67 5.03 -1.90 0.29 116.97 120.48 2d89 h TYR 57 Ca 0.06 0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.35 2d89 h TYR 57 Cb 1.21 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 39.49 2d89 h TYR 57 CO 0.63 0.00 -0.02 1.57 -1.32 0.00 0.00 178.16 179.02 2d89 h LYS 58 N 0.00 0.13 -0.23 1.82 2.10 -1.92 -2.98 116.57 115.49 2d89 h LYS 58 Ca 0.00 -0.02 -0.21 0.00 -2.00 0.00 0.00 60.65 58.43 2d89 h LYS 58 Cb 0.89 -0.03 -0.29 0.00 -0.90 0.00 0.00 32.23 31.91 2d89 h LYS 58 CO -0.00 0.17 -0.86 0.45 -2.00 0.00 0.00 179.45 177.20 2d89 n SER 59 N -4.43 2.05 -3.97 7.07 2.88 0.99 -5.08 113.62 113.12 2d89 n SER 59 Ca -0.01 -2.87 -0.19 0.00 -1.33 0.00 0.00 58.87 54.47 2d89 n SER 59 Cb 0.15 -0.41 0.10 0.00 -0.75 0.00 0.00 64.21 63.30 2d89 n SER 59 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2d89 n LEU 60 N -0.41 0.00 -3.50 2.46 4.77 -0.98 -5.09 117.00 114.25 2d89 n LEU 60 Ca 0.17 -1.63 -0.09 0.00 -0.03 0.00 0.00 56.01 54.44 2d89 n LEU 60 Cb 0.91 -0.54 -0.02 0.00 -2.33 0.00 0.00 43.42 41.44 2d89 n LEU 60 CO 0.06 -0.92 0.66 0.20 -1.33 0.00 0.00 177.39 176.07 2d89 s ASN 61 N -4.28 -0.38 0.00 -1.43 0.02 -1.26 -5.01 114.94 102.60 2d89 s ASN 61 Ca 0.53 -0.00 0.11 0.00 -1.02 0.00 0.00 52.86 52.47 2d89 s ASN 61 Cb -0.03 0.40 0.63 0.00 0.02 0.00 0.00 41.25 42.27 2d89 s ASN 61 CO 0.35 -0.65 1.06 -0.81 0.02 0.00 0.00 177.10 177.07 2d89 n PRO 62 N -0.26 0.49 0.04 -0.60 -0.04 -1.26 -2.56 135.00 130.81 2d89 n PRO 62 Ca -0.09 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.50 2d89 n PRO 62 Cb 0.62 -1.34 0.53 0.00 -0.04 0.00 0.00 33.50 33.28 2d89 n PRO 62 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2d89 n GLN 63 N -0.84 0.10 -3.86 0.54 -0.00 -1.26 -4.64 117.38 107.42 2d89 n GLN 63 Ca 0.08 0.08 -0.36 0.00 -0.00 0.00 0.00 57.00 56.80 2d89 n GLN 63 Cb 0.04 -1.61 -0.13 0.00 -0.00 0.00 0.00 30.24 28.53 2d89 n GLN 63 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 2d89 s ASP 64 N -3.56 4.82 -0.21 2.61 1.01 -1.06 -4.96 116.67 115.32 2d89 s ASP 64 Ca 0.13 -0.92 -0.14 0.00 0.71 0.00 0.00 52.55 52.33 2d89 s ASP 64 Cb 0.17 -1.77 -0.08 0.00 1.01 0.00 0.00 42.92 42.24 2d89 s ASP 64 CO 0.56 -0.20 -0.32 -0.38 0.21 0.00 0.00 175.17 175.04 2d89 n ILE 65 N 4.75 1.41 0.06 0.77 5.41 -1.26 -3.81 119.36 126.69 2d89 n ILE 65 Ca -0.15 -0.12 -0.07 0.00 1.00 0.00 0.00 62.75 63.42 2d89 n ILE 65 Cb 0.46 -2.03 0.09 0.00 -0.71 0.00 0.00 39.64 37.46 2d89 n ILE 65 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 2d89 h LYS 66 N -0.89 0.35 0.27 0.38 3.64 -1.80 -3.04 116.57 115.46 2d89 h LYS 66 Ca -0.35 -0.24 -0.01 0.00 -1.27 0.00 0.00 60.65 58.78 2d89 h LYS 66 Cb 1.26 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 2d89 h LYS 66 CO -0.21 0.84 -0.13 1.49 -2.27 0.00 0.00 179.45 179.17 2d89 h GLU 67 N 0.26 -0.35 -0.97 1.90 4.81 -1.90 -2.35 114.58 115.98 2d89 h GLU 67 Ca -0.01 0.02 0.18 0.00 -0.13 0.00 0.00 59.36 59.43 2d89 h GLU 67 Cb 1.12 0.08 -0.18 0.00 0.63 0.00 0.00 28.75 30.40 2d89 h GLU 67 CO 0.10 -0.23 -0.28 -0.91 -0.73 0.00 0.00 179.01 176.96 2d89 h ASN 68 N -0.90 -1.04 0.75 1.04 4.21 -1.68 0.23 115.58 118.20 2d89 h ASN 68 Ca -0.04 0.30 -0.04 0.00 1.21 0.00 0.00 56.30 57.73 2d89 h ASN 68 Cb 0.28 0.64 0.01 0.00 -1.12 0.00 0.00 38.32 38.12 2d89 h ASN 68 CO 0.06 -0.31 -0.36 0.78 -1.29 0.00 0.00 177.43 176.30 2d89 h ASN 69 N -0.00 -0.86 -0.90 5.81 2.35 -1.64 -2.96 115.58 117.38 2d89 h ASN 69 Ca 0.44 0.02 0.23 0.00 -0.55 0.00 0.00 56.30 56.43 2d89 h ASN 69 Cb 0.68 0.22 -0.16 0.00 0.05 0.00 0.00 38.32 39.11 2d89 h ASN 69 CO -0.99 -0.57 0.03 0.50 -1.65 0.00 0.00 177.43 174.75 2d89 h LYS 70 N -1.08 0.06 0.06 0.81 1.63 -0.49 0.28 116.57 117.84 2d89 h LYS 70 Ca -0.10 -0.00 0.02 0.00 -0.85 0.00 0.00 60.65 59.72 2d89 h LYS 70 Cb 0.79 -0.01 -0.05 0.00 -0.60 0.00 0.00 32.23 32.35 2d89 h LYS 70 CO 0.17 0.04 -0.44 0.87 -3.45 0.00 0.00 179.45 176.65 2d89 h LYS 71 N 0.07 -0.61 0.12 1.90 1.57 -0.88 -2.56 116.57 116.17 2d89 h LYS 71 Ca 0.53 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.35 2d89 h LYS 71 Cb 1.02 0.14 -0.03 0.00 0.08 0.00 0.00 32.23 33.44 2d89 h LYS 71 CO -0.81 -0.40 -0.33 0.00 -0.57 0.00 0.00 179.45 177.34 2d89 h ALA 72 N -0.16 -0.86 -1.65 3.86 0.00 -0.82 -0.45 119.26 119.18 2d89 h ALA 72 Ca 0.03 -0.08 0.48 0.00 0.00 0.00 0.00 54.91 55.34 2d89 h ALA 72 Cb 0.68 0.70 -0.07 0.00 0.00 0.00 0.00 17.79 19.10 2d89 h ALA 72 CO -0.29 -0.93 1.27 0.66 0.00 0.00 0.00 179.25 179.96 2d89 n TYR 73 N -4.31 0.00 0.01 0.00 4.01 -0.76 0.21 117.16 116.33 2d89 n TYR 73 Ca -0.06 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.51 2d89 n TYR 73 Cb 0.26 -0.41 -0.12 0.00 -0.31 0.00 0.00 39.34 38.76 2d89 n TYR 73 CO 0.00 0.00 0.00 0.22 -0.46 0.00 0.00 176.86 176.62 2d89 h ASP 74 N 0.00 0.44 -0.18 7.72 1.82 -0.68 -1.01 116.42 124.53 2d89 h ASP 74 Ca 0.78 -0.83 -0.19 0.00 -0.39 0.00 0.00 57.03 56.41 2d89 h ASP 74 Cb 3.32 -0.14 0.00 0.00 0.68 0.00 0.00 39.33 43.20 2d89 h ASP 74 CO -0.01 1.22 -0.60 1.23 -1.61 0.00 0.00 179.24 179.47 2d89 h GLY 75 N -0.28 0.87 0.64 -0.78 0.00 0.30 -0.97 103.07 102.84 2d89 h GLY 75 Ca -0.08 -1.06 -0.10 0.00 0.00 0.00 0.00 47.33 46.09 2d89 h GLY 75 CO 0.11 0.95 -0.36 0.74 0.00 0.00 0.00 176.54 177.98 2d89 h PHE 76 N 0.59 0.43 0.00 5.60 0.04 -0.82 -3.21 116.94 119.57 2d89 h PHE 76 Ca -0.00 -0.21 -0.03 0.00 2.80 0.00 0.00 57.97 60.53 2d89 h PHE 76 Cb 1.20 -0.06 -0.00 0.00 2.20 0.00 0.00 35.95 39.29 2d89 h PHE 76 CO 0.07 0.98 -0.15 0.00 -0.60 0.00 0.00 178.31 178.62 2d89 h ALA 77 N 0.35 1.10 -0.61 2.45 0.00 -1.25 -2.58 119.26 118.72 2d89 h ALA 77 Ca -0.04 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.77 2d89 h ALA 77 Cb 1.06 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 2d89 h ALA 77 CO 0.07 0.18 0.38 0.77 0.00 0.00 0.00 179.25 180.65 2d89 h SER 78 N 0.00 0.62 0.18 0.00 0.02 -1.17 -2.46 113.55 110.74 2d89 h SER 78 Ca -0.00 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.77 2d89 h SER 78 Cb 0.54 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 62.95 2d89 h SER 78 CO 0.02 0.43 -0.69 0.16 -1.14 0.00 0.00 176.83 175.61 2d89 h ILE 79 N 0.74 1.36 0.00 3.27 3.07 -1.62 -3.47 117.51 120.87 2d89 h ILE 79 Ca 0.25 -2.05 0.00 0.00 1.55 0.00 0.00 64.86 64.61 2d89 h ILE 79 Cb 0.02 2.03 0.00 0.00 -0.27 0.00 0.00 36.82 38.60 2d89 h ILE 79 CO -0.10 0.62 0.00 0.61 -1.05 0.00 0.00 178.15 178.23 2d89 n GLY 80 N 0.49 0.14 3.13 0.16 0.00 -0.93 -5.12 105.19 103.06 2d89 n GLY 80 Ca -0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.60 2d89 n GLY 80 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2d89 s ILE 81 N -0.27 3.77 0.10 -0.61 1.01 -0.98 -4.99 121.20 119.24 2d89 s ILE 81 Ca 0.00 -2.56 -0.29 0.00 0.00 0.00 0.00 60.65 57.80 2d89 s ILE 81 Cb 0.00 -3.48 -0.16 0.00 0.01 0.00 0.00 42.46 38.83 2d89 s ILE 81 CO 0.00 -0.83 0.65 -1.20 0.00 0.00 0.00 174.94 173.56 2d89 n SER 82 N 3.97 -0.64 -4.51 3.58 7.64 -1.26 -3.78 113.62 118.62 2d89 n SER 82 Ca 0.04 0.99 -0.43 0.00 1.01 0.00 0.00 58.87 60.48 2d89 n SER 82 Cb 0.40 -0.81 -0.04 0.00 -1.01 0.00 0.00 64.21 62.74 2d89 n SER 82 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2d89 s ARG 83 N -0.51 3.28 -0.16 1.43 0.52 -1.26 -4.89 118.95 117.37 2d89 s ARG 83 Ca 0.65 -0.39 -0.17 0.00 -0.52 0.00 0.00 55.73 55.30 2d89 s ARG 83 Cb -0.93 -4.09 -0.15 0.00 0.52 0.00 0.00 34.95 30.30 2d89 s ARG 83 CO 0.49 -1.55 0.26 -0.07 0.02 0.00 0.00 175.30 174.45 2d89 h LEU 84 N 11.04 0.00 -9.96 2.53 3.38 -1.98 -3.47 115.31 116.85 2d89 h LEU 84 Ca -0.27 -0.46 -0.49 0.00 0.09 0.00 0.00 57.88 56.76 2d89 h LEU 84 Cb 1.07 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.80 2d89 h LEU 84 CO 1.10 1.03 0.18 -0.22 0.09 0.00 0.00 178.44 180.62 2d89 s LEU 85 N -8.16 4.15 0.07 1.67 2.96 -1.26 -5.08 118.68 113.03 2d89 s LEU 85 Ca -0.18 1.47 0.04 0.00 -0.22 0.00 0.00 54.13 55.24 2d89 s LEU 85 Cb 0.02 -4.02 -0.04 0.00 0.50 0.00 0.00 46.19 42.64 2d89 s LEU 85 CO 0.44 -0.15 -0.01 -1.61 -1.32 0.00 0.00 176.35 173.70 2d89 s GLU 86 N -2.62 2.56 0.03 1.98 0.41 -1.26 -5.04 118.70 114.76 2d89 s GLU 86 Ca 0.52 -0.80 -0.21 0.00 -0.41 0.00 0.00 54.97 54.07 2d89 s GLU 86 Cb -0.13 -2.54 -0.15 0.00 -1.78 0.00 0.00 34.13 29.53 2d89 s GLU 86 CO 0.18 0.56 1.34 -1.00 -0.49 0.00 0.00 175.26 175.85 2d89 h PRO 87 N 3.72 0.32 0.79 0.39 0.13 -1.92 -3.23 132.00 132.19 2d89 h PRO 87 Ca -0.48 -0.17 -0.04 0.00 -0.87 0.00 0.00 66.00 64.44 2d89 h PRO 87 Cb 1.17 0.01 0.01 0.00 0.13 0.00 0.00 31.00 32.31 2d89 h PRO 87 CO 0.58 0.71 -0.38 1.03 -0.23 0.00 0.00 178.00 179.71 2d89 h SER 88 N -0.07 -0.90 -0.72 1.44 0.87 -1.91 -3.11 113.55 109.15 2d89 h SER 88 Ca 0.02 0.03 0.19 0.00 -1.23 0.00 0.00 61.79 60.81 2d89 h SER 88 Cb 0.65 0.23 -0.13 0.00 -0.44 0.00 0.00 62.40 62.71 2d89 h SER 88 CO 0.03 -0.55 -0.00 -0.90 -0.53 0.00 0.00 176.83 174.89 2d89 n ASP 89 N -5.39 -0.10 -0.21 6.23 5.68 -1.25 0.21 116.55 121.72 2d89 n ASP 89 Ca -0.13 1.23 0.02 0.00 -0.50 0.00 0.00 54.79 55.40 2d89 n ASP 89 Cb 0.42 -0.44 0.13 0.00 -1.14 0.00 0.00 41.12 40.08 2d89 n ASP 89 CO 0.00 0.00 0.00 0.24 -1.33 0.00 0.00 177.20 176.11 2d89 h MET 90 N 0.00 0.28 -0.17 0.11 2.86 -1.56 -1.67 114.93 114.79 2d89 h MET 90 Ca 0.43 -0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 58.01 2d89 h MET 90 Cb 0.87 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.47 2d89 h MET 90 CO -0.68 0.19 -0.05 0.28 1.06 0.00 0.00 176.91 177.70 2d89 h VAL 91 N 0.29 1.29 -0.12 -2.22 2.07 0.24 -3.30 116.25 114.51 2d89 h VAL 91 Ca 0.34 -1.03 0.02 0.00 0.82 0.00 0.00 66.70 66.85 2d89 h VAL 91 Cb 0.51 1.63 -0.04 0.00 -1.52 0.00 0.00 31.29 31.87 2d89 h VAL 91 CO -0.41 0.31 -0.33 -0.07 0.02 0.00 0.00 177.57 177.08 2d89 h LEU 92 N 0.04 -1.07-10.74 2.57 3.38 -0.50 -3.42 115.31 105.56 2d89 h LEU 92 Ca 0.04 0.13 -0.45 0.00 0.09 0.00 0.00 57.88 57.69 2d89 h LEU 92 Cb 0.50 0.42 0.14 0.00 0.09 0.00 0.00 40.66 41.81 2d89 h LEU 92 CO 0.02 -0.28 0.41 -1.48 0.09 0.00 0.00 178.44 177.20 2d89 s LEU 93 N -8.28 2.59 -0.08 1.67 0.05 -0.70 -5.05 118.68 108.87 2d89 s LEU 93 Ca -0.09 0.48 -0.05 0.00 0.05 0.00 0.00 54.13 54.52 2d89 s LEU 93 Cb 0.04 -2.69 -0.02 0.00 -2.05 0.00 0.00 46.19 41.48 2d89 s LEU 93 CO 0.37 -2.44 -0.09 0.00 -0.55 0.00 0.00 176.35 173.64 2d89 h ALA 94 N -1.44 0.00 -3.28 1.48 0.00 -1.83 -3.46 119.26 110.74 2d89 h ALA 94 Ca -0.45 -0.34 -0.66 0.00 0.00 0.00 0.00 54.91 53.46 2d89 h ALA 94 Cb 1.27 0.26 -0.28 0.00 0.00 0.00 0.00 17.79 19.05 2d89 h ALA 94 CO 0.49 0.26 -0.77 0.42 0.00 0.00 0.00 179.25 179.65 2d89 s ILE 95 N -1.71 2.97 0.59 0.00 -1.09 -1.26 -5.00 121.20 115.71 2d89 s ILE 95 Ca -0.08 -0.68 -0.17 0.00 -2.23 0.00 0.00 60.65 57.49 2d89 s ILE 95 Cb 0.01 -2.25 -0.03 0.00 -1.58 0.00 0.00 42.46 38.61 2d89 s ILE 95 CO 0.11 0.52 1.12 -2.16 -1.23 0.00 0.00 174.94 173.30 2d89 s PRO 96 N 0.48 3.11 -0.61 2.79 0.04 -1.26 -4.92 135.00 134.62 2d89 s PRO 96 Ca -0.10 1.51 -0.26 0.00 0.04 0.00 0.00 61.00 62.19 2d89 s PRO 96 Cb -0.16 -1.98 -0.02 0.00 0.04 0.00 0.00 34.50 32.38 2d89 s PRO 96 CO 0.04 -1.03 1.89 -0.51 0.04 0.00 0.00 177.00 177.44 2d89 s ASP 97 N -2.13 5.23 0.29 6.66 1.11 -1.26 -4.75 116.67 121.82 2d89 s ASP 97 Ca 0.70 0.36 -0.01 0.00 0.18 0.00 0.00 52.55 53.79 2d89 s ASP 97 Cb -0.22 -2.53 0.65 0.00 1.07 0.00 0.00 42.92 41.89 2d89 s ASP 97 CO 0.33 -2.41 1.51 1.17 1.18 0.00 0.00 175.17 176.96 2d89 n LYS 98 N 9.18 -0.08 -0.11 8.23 4.81 -1.26 0.51 118.16 139.44 2d89 n LYS 98 Ca 0.21 1.46 -0.05 0.00 -0.87 0.00 0.00 58.31 59.06 2d89 n LYS 98 Cb 0.52 -2.28 0.01 0.00 0.02 0.00 0.00 35.03 33.30 2d89 n LYS 98 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 2d89 h LEU 99 N 0.00 -0.55 0.00 3.14 3.38 -1.88 -0.75 115.31 118.65 2d89 h LEU 99 Ca 0.55 0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.66 2d89 h LEU 99 Cb 1.06 0.31 0.00 0.00 0.09 0.00 0.00 40.66 42.12 2d89 h LEU 99 CO -0.93 -0.19 0.00 0.41 0.09 0.00 0.00 178.44 177.82 2d89 n THR 100 N -5.35 0.00 -0.35 0.22 -1.04 0.18 -1.87 114.28 106.08 2d89 n THR 100 Ca 0.02 1.38 -0.07 0.00 -2.04 0.00 0.00 64.05 63.33 2d89 n THR 100 Cb 0.26 -2.34 -0.06 0.00 -1.82 0.00 0.00 70.33 66.37 2d89 n THR 100 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 2d89 n VAL 101 N -1.70 -0.54 -0.24 12.58 0.31 -0.92 0.69 118.33 128.51 2d89 n VAL 101 Ca 0.00 2.01 0.02 0.00 -0.01 0.00 0.00 64.34 66.36 2d89 n VAL 101 Cb 0.00 -2.52 0.11 0.00 -0.91 0.00 0.00 33.84 30.51 2d89 n VAL 101 CO 0.00 0.00 0.00 0.24 -1.32 0.00 0.00 176.83 175.75 2d89 h MET 102 N 0.00 0.04 -0.74 5.55 2.07 -1.15 0.57 114.93 121.27 2d89 h MET 102 Ca 0.17 -0.00 0.15 0.00 -2.07 0.00 0.00 59.70 57.95 2d89 h MET 102 Cb 0.38 -0.01 -0.05 0.00 -1.87 0.00 0.00 31.60 30.05 2d89 h MET 102 CO -0.80 0.02 0.50 1.15 1.07 0.00 0.00 176.91 178.85 2d89 h THR 103 N 0.04 0.78 0.02 2.22 2.02 0.10 -1.40 112.91 116.69 2d89 h THR 103 Ca 0.36 -0.12 -0.16 0.00 0.77 0.00 0.00 66.41 67.27 2d89 h THR 103 Cb 0.59 0.39 0.01 0.00 -1.74 0.00 0.00 68.15 67.41 2d89 h THR 103 CO -0.69 0.06 -0.62 0.22 0.37 0.00 0.00 175.52 174.86 2d89 h TYR 104 N 0.35 0.58 -0.22 3.16 3.20 0.66 -3.31 116.97 121.39 2d89 h TYR 104 Ca 0.36 -0.33 0.05 0.00 3.14 0.00 0.00 58.73 61.95 2d89 h TYR 104 Cb 0.90 -0.06 -0.06 0.00 1.54 0.00 0.00 36.73 39.05 2d89 h TYR 104 CO -0.00 1.17 -0.14 -0.07 -1.64 0.00 0.00 178.16 177.48 2d89 h LEU 105 N -0.17 -0.44 -1.30 2.82 3.38 -0.03 -0.90 115.31 118.66 2d89 h LEU 105 Ca -0.08 0.10 0.30 0.00 0.09 0.00 0.00 57.88 58.29 2d89 h LEU 105 Cb 1.35 0.23 -0.11 0.00 0.09 0.00 0.00 40.66 42.23 2d89 h LEU 105 CO 0.12 -0.17 0.69 1.88 0.09 0.00 0.00 178.44 181.05 2d89 h TYR 106 N -0.12 0.69 0.80 1.13 0.05 -1.45 -0.50 116.97 117.57 2d89 h TYR 106 Ca 0.12 0.03 -0.04 0.00 0.05 0.00 0.00 58.73 58.89 2d89 h TYR 106 Cb 0.31 -0.19 0.01 0.00 1.01 0.00 0.00 36.73 37.86 2d89 h TYR 106 CO -0.30 -0.01 -0.38 1.96 -1.05 0.00 0.00 178.16 178.37 2d89 h GLN 107 N 0.34 -1.03 0.19 4.88 1.08 -1.25 0.51 115.11 119.83 2d89 h GLN 107 Ca 0.66 0.07 0.01 0.00 -1.45 0.00 0.00 58.65 57.94 2d89 h GLN 107 Cb 1.71 0.23 -0.04 0.00 -0.05 0.00 0.00 27.48 29.33 2d89 h GLN 107 CO -0.37 -0.69 -0.41 0.82 -0.95 0.00 0.00 178.83 177.23 2d89 h ILE 108 N -1.15 0.17 -0.82 2.54 5.03 -1.11 0.72 117.51 122.88 2d89 h ILE 108 Ca -0.11 0.00 0.17 0.00 -0.12 0.00 0.00 64.86 64.80 2d89 h ILE 108 Cb 0.82 0.17 -0.06 0.00 -3.03 0.00 0.00 36.82 34.72 2d89 h ILE 108 CO 0.18 0.00 0.54 -0.09 -0.68 0.00 0.00 178.15 178.10 2d89 h ARG 109 N -0.69 0.43 0.37 2.37 1.12 -1.20 0.54 114.38 117.31 2d89 h ARG 109 Ca 0.01 -0.03 -0.02 0.00 -1.11 0.00 0.00 59.98 58.83 2d89 h ARG 109 Cb 0.69 -0.10 0.00 0.00 -0.01 0.00 0.00 29.97 30.56 2d89 h ARG 109 CO -0.20 0.28 -0.18 0.00 -3.11 0.00 0.00 179.97 176.77 2d89 h ALA 110 N 1.63 -0.49 0.03 2.80 0.00 0.27 0.20 119.26 123.70 2d89 h ALA 110 Ca 0.41 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 55.15 2d89 h ALA 110 Cb 0.95 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 2d89 h ALA 110 CO -0.15 -0.57 -0.14 0.45 0.00 0.00 0.00 179.25 178.84 2d89 h HIS 111 N -0.90 -0.36 -0.65 0.00 3.86 -0.30 -2.66 115.15 114.14 2d89 h HIS 111 Ca -0.05 0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.14 2d89 h HIS 111 Cb 0.54 0.16 -0.03 0.00 1.06 0.00 0.00 27.41 29.14 2d89 h HIS 111 CO 0.03 -0.21 0.30 0.74 0.86 0.00 0.00 177.93 179.65 2d89 h PHE 112 N -0.25 0.95 -3.77 2.45 -1.00 -1.00 -3.43 116.94 110.89 2d89 h PHE 112 Ca 0.04 -0.05 -0.27 0.00 2.81 0.00 0.00 57.97 60.49 2d89 h PHE 112 Cb 0.30 -0.29 -0.29 0.00 3.61 0.00 0.00 35.95 39.28 2d89 h PHE 112 CO -0.18 0.72 -0.73 0.45 -1.61 0.00 0.00 178.31 176.95 2d89 s SER 113 N -6.08 0.25 0.49 2.17 0.15 0.71 -5.08 113.70 106.31 2d89 s SER 113 Ca -0.13 -0.03 0.06 0.00 0.70 0.00 0.00 55.95 56.55 2d89 s SER 113 Cb 0.14 -0.04 0.03 0.00 -1.71 0.00 0.00 66.02 64.44 2d89 s SER 113 CO 0.80 0.01 0.67 -0.55 1.20 0.00 0.00 173.24 175.37 2d89 s SER 114 N 0.07 5.41 0.00 5.45 0.15 -1.22 -3.35 113.70 120.22 2d89 s SER 114 Ca -0.00 -0.39 0.00 0.00 0.70 0.00 0.00 55.95 56.25 2d89 s SER 114 Cb -0.02 -0.52 0.00 0.00 -1.71 0.00 0.00 66.02 63.77 2d89 s SER 114 CO -0.00 -1.00 0.00 0.61 1.20 0.00 0.00 173.24 174.05 2d89 n GLY 115 N -2.08 1.55 3.77 9.45 0.00 -1.26 -5.00 105.19 111.63 2d89 n GLY 115 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 2d89 n GLY 115 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2d89 s PRO 116 N 0.36 2.83 -1.13 1.61 0.04 -1.26 -4.91 135.00 132.54 2d89 s PRO 116 Ca 0.00 1.40 -0.22 0.00 0.04 0.00 0.00 61.00 62.22 2d89 s PRO 116 Cb 0.00 -1.95 -0.00 0.00 0.04 0.00 0.00 34.50 32.58 2d89 s PRO 116 CO 0.00 -1.23 1.77 -1.54 0.04 0.00 0.00 177.00 176.04 2d89 s SER 117 N -2.54 5.91 0.00 6.66 1.04 -1.26 -4.82 113.70 118.68 2d89 s SER 117 Ca 0.67 -1.65 -0.05 0.00 0.48 0.00 0.00 55.95 55.40 2d89 s SER 117 Cb -0.21 -2.58 -0.22 0.00 0.10 0.00 0.00 66.02 63.12 2d89 s SER 117 CO 0.41 -2.11 3.24 -1.54 0.98 0.00 0.00 173.24 174.22 2d89 n SER 118 N 11.34 5.00 -0.48 7.02 3.41 -1.26 -5.30 113.62 133.35 2d89 n SER 118 Ca 0.42 -2.42 0.14 0.00 -0.26 0.00 0.00 58.87 56.76 2d89 n SER 118 Cb 0.47 -1.31 0.53 0.00 -0.26 0.00 0.00 64.21 63.64 2d89 n SER 118 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49