#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sip s GLN 2 N 0.00 1.20 -0.27 -0.52 0.74 -1.26 -5.11 119.66 114.44 1sip s GLN 2 Ca 0.00 -0.52 -0.03 0.00 0.05 0.00 0.00 55.36 54.86 1sip s GLN 2 Cb 0.00 0.55 0.03 0.00 1.10 0.00 0.00 33.01 34.68 1sip s GLN 2 CO 0.00 -0.50 -0.01 -0.06 -0.55 0.00 0.00 175.29 174.17 1sip s PHE 3 N -3.66 3.13 0.11 1.67 0.40 -1.26 -5.14 117.98 113.24 1sip s PHE 3 Ca 0.01 -1.48 -0.02 0.00 -0.60 0.00 0.00 56.93 54.84 1sip s PHE 3 Cb -0.00 -2.12 -0.05 0.00 0.51 0.00 0.00 43.02 41.36 1sip s PHE 3 CO -0.12 -0.71 0.30 -1.54 0.70 0.00 0.00 175.22 173.86 1sip s SER 4 N 1.35 6.42 -0.39 1.36 1.04 -1.26 -5.01 113.70 117.22 1sip s SER 4 Ca -0.01 0.41 -0.01 0.00 0.48 0.00 0.00 55.95 56.83 1sip s SER 4 Cb -0.18 -2.02 0.30 0.00 0.10 0.00 0.00 66.02 64.23 1sip s SER 4 CO -0.02 0.09 1.94 0.18 0.98 0.00 0.00 173.24 176.41 1sip n LEU 5 N 0.06 6.52 0.10 2.42 4.77 -1.26 -4.23 117.00 125.39 1sip n LEU 5 Ca -0.04 -3.42 0.05 0.00 -0.03 0.00 0.00 56.01 52.58 1sip n LEU 5 Cb 0.52 -0.98 -0.00 0.00 -2.33 0.00 0.00 43.42 40.63 1sip n LEU 5 CO 0.50 1.21 0.12 -0.50 -1.33 0.00 0.00 177.39 177.39 1sip h TRP 6 N 1.43 0.00 -3.02 -1.77 4.06 -2.06 -3.45 115.95 111.14 1sip h TRP 6 Ca 0.38 0.00 -0.53 0.00 2.06 0.00 0.00 58.89 60.80 1sip h TRP 6 Cb 1.12 0.00 -0.16 0.00 -1.00 0.00 0.00 29.16 29.12 1sip h TRP 6 CO 0.97 0.32 -0.77 1.03 -3.56 0.00 0.00 178.44 176.44 1sip s ARG 7 N -3.09 1.37 0.19 0.49 0.52 -1.26 -5.11 118.95 112.05 1sip s ARG 7 Ca 0.01 -1.52 -0.32 0.00 -0.52 0.00 0.00 55.73 53.38 1sip s ARG 7 Cb 0.08 -1.38 -0.12 0.00 0.52 0.00 0.00 34.95 34.06 1sip s ARG 7 CO 0.77 0.27 1.74 1.03 0.02 0.00 0.00 175.30 179.13 1sip s ARG 8 N -3.11 4.13 -1.26 3.54 0.52 -1.26 -4.82 118.95 116.69 1sip s ARG 8 Ca 0.20 2.60 -0.20 0.00 -0.52 0.00 0.00 55.73 57.81 1sip s ARG 8 Cb -0.04 -3.19 0.02 0.00 0.52 0.00 0.00 34.95 32.26 1sip s ARG 8 CO 0.08 -0.77 1.80 -2.14 0.02 0.00 0.00 175.30 174.29 1sip s PRO 9 N 1.51 3.52 -0.00 3.54 0.02 -1.26 -4.97 135.00 137.36 1sip s PRO 9 Ca 0.76 -1.73 0.00 0.00 0.02 0.00 0.00 61.00 60.06 1sip s PRO 9 Cb -0.49 -5.45 -0.04 0.00 0.02 0.00 0.00 34.50 28.55 1sip s PRO 9 CO 0.33 -2.79 0.04 0.08 -0.33 0.00 0.00 177.00 174.33 1sip s VAL 10 N 6.34 4.45 0.22 3.83 1.01 -1.26 -0.64 120.40 134.35 1sip s VAL 10 Ca 0.58 -0.50 -0.10 0.00 0.00 0.00 0.00 61.98 61.96 1sip s VAL 10 Cb 0.02 -3.01 -0.01 0.00 0.00 0.00 0.00 36.38 33.38 1sip s VAL 10 CO 0.09 0.36 0.38 0.68 0.00 0.00 0.00 175.10 176.62 1sip s VAL 11 N -1.14 0.02 -0.24 2.92 -7.23 -0.01 -4.96 120.40 109.75 1sip s VAL 11 Ca 0.21 -1.47 -0.08 0.00 -1.81 0.00 0.00 61.98 58.83 1sip s VAL 11 Cb -0.12 -2.15 -0.04 0.00 0.56 0.00 0.00 36.38 34.64 1sip s VAL 11 CO 0.12 -0.07 0.10 -0.89 -0.31 0.00 0.00 175.10 174.06 1sip s THR 12 N -4.02 4.71 0.13 5.32 2.01 -1.26 0.71 115.64 123.24 1sip s THR 12 Ca 0.23 -0.04 0.09 0.00 0.31 0.00 0.00 61.69 62.28 1sip s THR 12 Cb 0.01 -3.20 -0.04 0.00 0.01 0.00 0.00 72.50 69.29 1sip s THR 12 CO 0.07 0.34 -0.22 0.00 -0.69 0.00 0.00 174.62 174.12 1sip s ALA 13 N 1.40 2.03 -0.33 7.40 0.00 0.20 -4.62 121.76 127.84 1sip s ALA 13 Ca 0.06 -1.39 -0.08 0.00 0.00 0.00 0.00 51.96 50.55 1sip s ALA 13 Cb -0.15 -0.26 0.02 0.00 0.00 0.00 0.00 23.12 22.73 1sip s ALA 13 CO 0.05 0.37 0.13 -1.01 0.00 0.00 0.00 175.76 175.31 1sip s HIS 14 N -1.40 3.21 -0.38 0.00 3.76 -0.45 0.92 115.29 120.95 1sip s HIS 14 Ca 0.11 -1.03 -0.14 0.00 -0.15 0.00 0.00 55.06 53.85 1sip s HIS 14 Cb -0.09 -2.33 0.00 0.00 1.11 0.00 0.00 32.58 31.28 1sip s HIS 14 CO 0.06 -0.62 0.28 0.42 -0.85 0.00 0.00 174.74 174.03 1sip s ILE 15 N 1.50 5.26 -1.25 0.60 -1.09 0.95 -1.58 121.20 125.60 1sip s ILE 15 Ca 0.02 -0.46 -0.02 0.00 -2.23 0.00 0.00 60.65 57.96 1sip s ILE 15 Cb -0.18 -3.85 0.00 0.00 -1.58 0.00 0.00 42.46 36.86 1sip s ILE 15 CO 0.04 -0.19 0.99 -0.62 -1.23 0.00 0.00 174.94 173.94 1sip n GLU 16 N 5.16 -6.61 -0.54 2.79 -0.58 0.13 -2.07 120.64 118.92 1sip n GLU 16 Ca -0.11 0.81 0.00 0.00 -0.42 0.00 0.00 57.16 57.44 1sip n GLU 16 Cb 0.48 -5.78 0.00 0.00 -0.57 0.00 0.00 31.44 25.57 1sip n GLU 16 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1sip n GLY 17 N -1.34 0.19 3.87 0.62 0.00 -1.26 -4.99 105.19 102.29 1sip n GLY 17 Ca -0.24 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.43 1sip n GLY 17 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1sip s GLN 18 N -0.77 3.69 -0.12 1.61 -2.07 -0.88 -5.00 119.66 116.12 1sip s GLN 18 Ca 0.00 0.10 -0.10 0.00 -1.82 0.00 0.00 55.36 53.54 1sip s GLN 18 Cb 0.00 -3.10 -0.05 0.00 -1.09 0.00 0.00 33.01 28.78 1sip s GLN 18 CO 0.00 0.65 0.22 -1.25 -1.32 0.00 0.00 175.29 173.59 1sip s PRO 19 N -1.57 3.82 0.04 9.60 0.04 -1.26 -0.04 135.00 145.63 1sip s PRO 19 Ca 0.27 0.01 0.03 0.00 0.04 0.00 0.00 61.00 61.35 1sip s PRO 19 Cb -0.14 -3.28 -0.02 0.00 0.04 0.00 0.00 34.50 31.10 1sip s PRO 19 CO 0.15 0.58 -0.10 0.08 0.04 0.00 0.00 177.00 177.75 1sip s VAL 20 N -0.52 0.72 -0.30 -0.36 1.01 0.26 -4.95 120.40 116.26 1sip s VAL 20 Ca 0.16 -0.96 -0.19 0.00 0.00 0.00 0.00 61.98 60.99 1sip s VAL 20 Cb -0.13 -0.71 -0.01 0.00 0.00 0.00 0.00 36.38 35.52 1sip s VAL 20 CO 0.05 -0.20 0.58 -1.61 0.00 0.00 0.00 175.10 173.92 1sip s GLU 21 N -1.28 3.90 0.08 2.72 2.02 -1.26 0.62 118.70 125.50 1sip s GLU 21 Ca -0.05 0.23 0.09 0.00 0.02 0.00 0.00 54.97 55.27 1sip s GLU 21 Cb -0.08 -3.72 -0.03 0.00 0.10 0.00 0.00 34.13 30.40 1sip s GLU 21 CO 0.01 -0.52 -0.25 0.14 0.02 0.00 0.00 175.26 174.66 1sip s VAL 22 N 2.49 2.01 -0.23 2.63 -7.23 0.22 -4.51 120.40 115.79 1sip s VAL 22 Ca 0.23 -1.48 -0.13 0.00 -1.81 0.00 0.00 61.98 58.79 1sip s VAL 22 Cb -0.15 -1.76 -0.04 0.00 0.56 0.00 0.00 36.38 34.98 1sip s VAL 22 CO 0.11 0.19 0.28 -0.22 -0.31 0.00 0.00 175.10 175.15 1sip s LEU 23 N -1.56 4.11 -0.14 1.32 2.96 0.54 -0.83 118.68 125.08 1sip s LEU 23 Ca 0.11 0.28 -0.29 0.00 -0.22 0.00 0.00 54.13 54.00 1sip s LEU 23 Cb -0.10 -2.30 -0.02 0.00 0.50 0.00 0.00 46.19 44.26 1sip s LEU 23 CO 0.03 -0.03 1.37 -0.76 -1.32 0.00 0.00 176.35 175.65 1sip s LEU 24 N 1.35 4.20 -0.29 -0.68 1.43 0.19 -2.03 118.68 122.85 1sip s LEU 24 Ca 0.13 1.82 -0.02 0.00 -1.03 0.00 0.00 54.13 55.03 1sip s LEU 24 Cb -0.14 -3.54 0.09 0.00 0.03 0.00 0.00 46.19 42.63 1sip s LEU 24 CO 0.07 -0.82 0.09 -0.62 0.23 0.00 0.00 176.35 175.30 1sip s ASP 25 N 2.40 3.77 0.62 2.29 2.15 -0.58 -4.82 116.67 122.50 1sip s ASP 25 Ca 0.60 -1.44 0.34 0.00 0.43 0.00 0.00 52.55 52.48 1sip s ASP 25 Cb -0.25 -0.74 1.96 0.00 -0.30 0.00 0.00 42.92 43.59 1sip s ASP 25 CO 0.19 -0.40 2.24 0.71 -0.17 0.00 0.00 175.17 177.74 1sip h THR 26 N 6.48 0.33 -0.10 1.71 1.35 -1.92 -1.50 112.91 119.26 1sip h THR 26 Ca -0.15 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.71 1sip h THR 26 Cb 1.03 0.94 0.00 0.00 -1.73 0.00 0.00 68.15 68.40 1sip h THR 26 CO 0.44 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.32 1sip n GLY 27 N -1.26 -0.12 3.58 5.82 0.00 -1.26 -4.75 105.19 107.20 1sip n GLY 27 Ca -0.02 -0.34 -0.32 0.00 0.00 0.00 0.00 46.02 45.34 1sip n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sip s ALA 28 N -1.88 2.98 -0.06 4.61 0.00 -0.57 -4.99 121.76 121.85 1sip s ALA 28 Ca 0.33 -1.02 -0.25 0.00 0.00 0.00 0.00 51.96 51.03 1sip s ALA 28 Cb 0.17 -1.11 -0.25 0.00 0.00 0.00 0.00 23.12 21.93 1sip s ALA 28 CO 0.27 0.61 0.98 -0.44 0.00 0.00 0.00 175.76 177.18 1sip h ASP 29 N 4.62 0.23 -0.49 0.00 3.32 -1.88 0.40 116.42 122.62 1sip h ASP 29 Ca -0.48 -0.82 -0.58 0.00 0.02 0.00 0.00 57.03 55.17 1sip h ASP 29 Cb 1.17 -0.07 -0.04 0.00 0.22 0.00 0.00 39.33 40.61 1sip h ASP 29 CO 0.53 1.02 -0.26 -1.81 -1.72 0.00 0.00 179.24 177.00 1sip s ASP 30 N -6.38 4.67 -0.18 6.45 1.01 -1.26 -2.71 116.67 118.27 1sip s ASP 30 Ca -0.16 -1.24 0.01 0.00 0.71 0.00 0.00 52.55 51.87 1sip s ASP 30 Cb 0.00 0.51 0.02 0.00 1.01 0.00 0.00 42.92 44.46 1sip s ASP 30 CO 0.75 -1.19 -0.20 -0.44 0.21 0.00 0.00 175.17 174.29 1sip s SER 31 N -4.36 3.12 -0.08 0.27 0.01 -1.26 -2.73 113.70 108.66 1sip s SER 31 Ca 0.37 -0.64 0.03 0.00 1.31 0.00 0.00 55.95 57.01 1sip s SER 31 Cb -0.03 -1.47 0.01 0.00 0.21 0.00 0.00 66.02 64.74 1sip s SER 31 CO 0.23 0.00 -0.18 -0.63 0.41 0.00 0.00 173.24 173.07 1sip s ILE 32 N 1.26 1.59 0.23 1.44 1.09 -0.84 -0.98 121.20 125.00 1sip s ILE 32 Ca 0.04 -0.75 0.07 0.00 -1.10 0.00 0.00 60.65 58.92 1sip s ILE 32 Cb -0.13 -1.40 -0.05 0.00 -1.06 0.00 0.00 42.46 39.82 1sip s ILE 32 CO -0.12 0.46 -0.11 0.68 -0.10 0.00 0.00 174.94 175.74 1sip s VAL 33 N 0.48 1.69 0.21 2.92 -7.23 -0.99 0.72 120.40 118.20 1sip s VAL 33 Ca -0.16 -2.18 0.01 0.00 -1.81 0.00 0.00 61.98 57.84 1sip s VAL 33 Cb -0.17 -2.18 -0.05 0.00 0.56 0.00 0.00 36.38 34.55 1sip s VAL 33 CO 0.06 -0.50 0.06 0.28 -0.31 0.00 0.00 175.10 174.69 1sip s THR 34 N -3.00 0.52 0.00 5.32 -1.32 -1.26 -2.03 115.64 113.87 1sip s THR 34 Ca 0.25 -1.99 0.00 0.00 -1.21 0.00 0.00 61.69 58.74 1sip s THR 34 Cb 0.01 -2.38 0.00 0.00 -1.51 0.00 0.00 72.50 68.62 1sip s THR 34 CO 0.08 -0.22 0.00 0.61 -2.21 0.00 0.00 174.62 172.88 1sip n GLY 35 N -0.33 1.98 3.36 6.08 0.00 -1.26 -5.02 105.19 110.00 1sip n GLY 35 Ca -0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.71 1sip n GLY 35 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1sip s ILE 36 N -2.33 2.12 -0.35 -0.61 -4.36 -1.26 -5.12 121.20 109.30 1sip s ILE 36 Ca 0.00 -1.67 -0.15 0.00 -0.26 0.00 0.00 60.65 58.58 1sip s ILE 36 Cb 0.00 -1.88 -0.01 0.00 1.25 0.00 0.00 42.46 41.82 1sip s ILE 36 CO 0.00 0.09 0.34 -0.70 0.24 0.00 0.00 174.94 174.91 1sip s GLU 37 N -1.93 3.49 0.00 0.37 2.12 -1.26 -4.97 118.70 116.52 1sip s GLU 37 Ca 0.12 -0.52 0.22 0.00 0.36 0.00 0.00 54.97 55.16 1sip s GLU 37 Cb -0.10 -3.82 0.01 0.00 0.26 0.00 0.00 34.13 30.48 1sip s GLU 37 CO 0.05 -0.54 1.08 1.28 -0.54 0.00 0.00 175.26 176.59 1sip n LEU 38 N 5.32 1.31 0.00 2.70 4.77 -1.26 -5.08 117.00 124.77 1sip n LEU 38 Ca -0.10 -0.52 0.00 0.00 -0.03 0.00 0.00 56.01 55.36 1sip n LEU 38 Cb 0.49 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 1sip n LEU 38 CO 0.40 0.28 0.00 0.61 -1.33 0.00 0.00 177.39 177.35 1sip n GLY 39 N 1.46 -2.58 0.26 -0.72 0.00 -1.26 -4.78 105.19 97.58 1sip n GLY 39 Ca 0.07 -2.07 0.10 0.00 0.00 0.00 0.00 46.02 44.12 1sip n GLY 39 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1sip h PRO 40 N 0.00 0.00 -3.83 1.61 0.13 -2.04 -3.41 132.00 124.47 1sip h PRO 40 Ca 0.00 0.00 -0.76 0.00 -0.87 0.00 0.00 66.00 64.37 1sip h PRO 40 Cb 0.00 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 30.96 1sip h PRO 40 CO 0.00 0.06 1.73 0.72 -0.23 0.00 0.00 178.00 180.29 1sip n HIS 41 N -4.16 3.53 -3.99 1.56 8.25 -1.26 -4.97 115.22 114.17 1sip n HIS 41 Ca -0.03 -2.96 -0.08 0.00 -0.26 0.00 0.00 57.72 54.39 1sip n HIS 41 Cb 0.15 -1.97 -0.10 0.00 1.12 0.00 0.00 29.99 29.19 1sip n HIS 41 CO 0.00 0.00 0.00 1.52 0.64 0.00 0.00 176.34 178.50 1sip s TYR 42 N 0.50 0.33 -0.19 4.41 1.13 -1.26 -4.68 117.35 117.58 1sip s TYR 42 Ca 0.40 -0.74 -0.08 0.00 -1.41 0.00 0.00 57.07 55.23 1sip s TYR 42 Cb 0.05 -0.24 -0.04 0.00 -1.10 0.00 0.00 41.96 40.63 1sip s TYR 42 CO 0.01 -0.37 0.09 0.99 -2.51 0.00 0.00 175.55 173.76 1sip s THR 43 N -3.11 5.03 0.78 -3.49 2.01 -0.75 -4.89 115.64 111.21 1sip s THR 43 Ca -0.01 0.05 -0.11 0.00 0.31 0.00 0.00 61.69 61.93 1sip s THR 43 Cb 0.02 -3.28 0.06 0.00 0.01 0.00 0.00 72.50 69.30 1sip s THR 43 CO -0.07 0.45 1.09 -2.84 -0.69 0.00 0.00 174.62 172.55 1sip s PRO 44 N 0.42 2.26 0.08 4.92 0.02 -1.26 0.82 135.00 142.26 1sip s PRO 44 Ca 0.05 0.72 0.02 0.00 0.02 0.00 0.00 61.00 61.81 1sip s PRO 44 Cb -0.12 -1.93 -0.01 0.00 0.02 0.00 0.00 34.50 32.46 1sip s PRO 44 CO -0.00 -1.52 0.07 1.63 -0.33 0.00 0.00 177.00 176.85 1sip n LYS 45 N -3.37 0.10 -3.30 5.54 5.02 0.52 -4.77 118.16 117.90 1sip n LYS 45 Ca 0.07 -0.80 -0.04 0.00 -2.02 0.00 0.00 58.31 55.52 1sip n LYS 45 Cb 0.56 0.66 -0.06 0.00 -0.02 0.00 0.00 35.03 36.17 1sip n LYS 45 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1sip s ILE 46 N -2.34 -0.75 0.06 -0.18 -1.09 -1.24 -2.76 121.20 112.90 1sip s ILE 46 Ca 0.10 -0.03 0.03 0.00 -2.23 0.00 0.00 60.65 58.51 1sip s ILE 46 Cb 0.00 -0.88 -0.04 0.00 -1.58 0.00 0.00 42.46 39.97 1sip s ILE 46 CO 0.07 -0.07 0.03 -0.69 -1.23 0.00 0.00 174.94 173.05 1sip s VAL 47 N 2.67 4.23 -0.18 2.92 1.01 0.28 -4.87 120.40 126.46 1sip s VAL 47 Ca 0.15 -0.80 -0.07 0.00 0.00 0.00 0.00 61.98 61.26 1sip s VAL 47 Cb -0.15 -2.99 -0.04 0.00 0.00 0.00 0.00 36.38 33.20 1sip s VAL 47 CO -0.18 0.20 0.05 -0.83 0.00 0.00 0.00 175.10 174.34 1sip s GLY 48 N -2.11 1.86 0.00 4.51 0.00 -1.26 0.26 107.32 110.58 1sip s GLY 48 Ca 0.25 -0.79 0.00 0.00 0.00 0.00 0.00 44.72 44.18 1sip s GLY 48 CO 0.17 0.07 0.00 0.61 0.00 0.00 0.00 173.10 173.96 1sip n GLY 49 N 3.65 5.92 3.44 0.20 0.00 0.22 -4.97 105.19 113.65 1sip n GLY 49 Ca -0.17 -1.91 -0.44 0.00 0.00 0.00 0.00 46.02 43.50 1sip n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sip s ILE 50 N -0.28 4.74 0.00 -0.61 1.01 -1.26 -3.21 121.20 121.59 1sip s ILE 50 Ca 0.00 -1.45 0.00 0.00 0.00 0.00 0.00 60.65 59.20 1sip s ILE 50 Cb 0.00 -4.73 0.00 0.00 0.01 0.00 0.00 42.46 37.74 1sip s ILE 50 CO 0.00 -1.45 0.00 0.61 0.00 0.00 0.00 174.94 174.10 1sip n GLY 51 N 5.37 0.25 0.00 6.18 0.00 -1.26 -5.09 105.19 110.64 1sip n GLY 51 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1sip n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sip n GLY 52 N 0.00 0.01 3.35 -0.02 0.00 -1.20 -5.13 105.19 102.20 1sip n GLY 52 Ca 0.00 -1.48 -0.23 0.00 0.00 0.00 0.00 46.02 44.30 1sip n GLY 52 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1sip s PHE 53 N -2.85 1.94 0.22 1.61 -0.71 -1.26 0.71 117.98 117.64 1sip s PHE 53 Ca 0.00 -0.44 0.05 0.00 -1.04 0.00 0.00 56.93 55.50 1sip s PHE 53 Cb 0.00 -0.97 -0.05 0.00 -1.21 0.00 0.00 43.02 40.79 1sip s PHE 53 CO 0.00 0.36 -0.04 0.96 -1.34 0.00 0.00 175.22 175.16 1sip s ILE 54 N -1.86 1.21 -0.27 -4.49 -4.36 0.14 -4.89 121.20 106.69 1sip s ILE 54 Ca 0.16 -2.07 -0.23 0.00 -0.26 0.00 0.00 60.65 58.26 1sip s ILE 54 Cb -0.07 -2.24 -0.01 0.00 1.25 0.00 0.00 42.46 41.40 1sip s ILE 54 CO 0.07 -0.43 0.74 0.20 0.24 0.00 0.00 174.94 175.76 1sip s ASN 55 N -3.30 6.68 0.19 4.36 0.01 -1.26 0.10 114.94 121.71 1sip s ASN 55 Ca 0.26 0.78 0.04 0.00 -0.71 0.00 0.00 52.86 53.22 1sip s ASN 55 Cb 0.04 -2.39 -0.05 0.00 0.41 0.00 0.00 41.25 39.27 1sip s ASN 55 CO 0.07 -0.49 -0.04 0.42 -1.51 0.00 0.00 177.10 175.55 1sip s THR 56 N 2.74 1.05 -0.31 1.60 -4.23 -1.11 -4.31 115.64 111.07 1sip s THR 56 Ca 0.31 -2.04 -0.07 0.00 -1.18 0.00 0.00 61.69 58.71 1sip s THR 56 Cb -0.15 -2.12 0.02 0.00 1.34 0.00 0.00 72.50 71.59 1sip s THR 56 CO 0.09 -0.51 0.09 -0.54 -0.54 0.00 0.00 174.62 173.21 1sip s LYS 57 N -3.82 2.91 -0.24 3.99 1.02 -0.61 0.19 119.74 123.19 1sip s LYS 57 Ca 0.23 -0.98 -0.18 0.00 0.02 0.00 0.00 55.97 55.07 1sip s LYS 57 Cb 0.04 -3.40 -0.03 0.00 -0.52 0.00 0.00 37.83 33.92 1sip s LYS 57 CO 0.05 -0.53 0.50 -2.00 -0.92 0.00 0.00 175.35 172.45 1sip s GLU 58 N 1.46 4.11 -0.14 1.68 2.12 0.24 -0.31 118.70 127.87 1sip s GLU 58 Ca 0.01 0.32 0.01 0.00 0.36 0.00 0.00 54.97 55.66 1sip s GLU 58 Cb -0.18 -3.62 -0.01 0.00 0.26 0.00 0.00 34.13 30.59 1sip s GLU 58 CO 0.02 -0.26 -0.15 0.71 -0.54 0.00 0.00 175.26 175.04 1sip s TYR 59 N 2.01 2.77 0.22 5.30 2.02 -0.86 -1.81 117.35 126.99 1sip s TYR 59 Ca 0.21 -0.84 0.08 0.00 -0.37 0.00 0.00 57.07 56.15 1sip s TYR 59 Cb -0.15 -1.84 -0.04 0.00 -0.40 0.00 0.00 41.96 39.52 1sip s TYR 59 CO 0.09 -0.34 0.01 0.15 -1.57 0.00 0.00 175.55 173.89 1sip s LYS 60 N 0.53 2.39 -1.45 -0.62 1.02 -1.26 -1.33 119.74 119.02 1sip s LYS 60 Ca -0.10 -1.25 -0.07 0.00 0.02 0.00 0.00 55.97 54.58 1sip s LYS 60 Cb -0.16 -2.28 0.01 0.00 -0.52 0.00 0.00 37.83 34.88 1sip s LYS 60 CO 0.04 0.41 0.24 0.09 -0.92 0.00 0.00 175.35 175.21 1sip n ASN 61 N -0.56 -0.41 -4.75 2.83 4.13 -1.20 -4.92 115.26 110.38 1sip n ASN 61 Ca -0.08 -1.21 -0.40 0.00 1.68 0.00 0.00 54.58 54.57 1sip n ASN 61 Cb 0.57 -2.00 -0.05 0.00 -1.54 0.00 0.00 39.78 36.76 1sip n ASN 61 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1sip s VAL 62 N -4.11 4.63 -0.24 2.41 1.01 -0.65 -4.68 120.40 118.77 1sip s VAL 62 Ca 0.10 1.74 -0.25 0.00 0.00 0.00 0.00 61.98 63.57 1sip s VAL 62 Cb -0.05 -4.16 -0.00 0.00 0.00 0.00 0.00 36.38 32.16 1sip s VAL 62 CO 0.97 0.37 0.85 -0.70 0.00 0.00 0.00 175.10 176.59 1sip s GLU 63 N -0.18 4.20 -0.09 2.72 2.12 -1.26 -1.25 118.70 124.95 1sip s GLU 63 Ca 0.40 0.99 0.03 0.00 0.36 0.00 0.00 54.97 56.75 1sip s GLU 63 Cb -0.21 -3.64 0.00 0.00 0.26 0.00 0.00 34.13 30.54 1sip s GLU 63 CO 0.25 -0.51 -0.20 0.42 -0.54 0.00 0.00 175.26 174.68 1sip s ILE 64 N 2.82 1.77 -0.15 -3.70 1.01 0.01 0.20 121.20 123.15 1sip s ILE 64 Ca 0.36 -0.85 0.02 0.00 0.00 0.00 0.00 60.65 60.18 1sip s ILE 64 Cb -0.15 -1.55 0.01 0.00 0.01 0.00 0.00 42.46 40.77 1sip s ILE 64 CO 0.08 0.50 -0.20 -1.83 0.00 0.00 0.00 174.94 173.48 1sip s GLU 65 N 0.48 3.07 -0.29 2.79 -1.05 -0.61 -0.98 118.70 122.10 1sip s GLU 65 Ca -0.17 -0.83 -0.16 0.00 -0.15 0.00 0.00 54.97 53.67 1sip s GLU 65 Cb -0.17 -2.49 0.13 0.00 -0.44 0.00 0.00 34.13 31.16 1sip s GLU 65 CO 0.07 -0.02 0.91 0.54 0.95 0.00 0.00 175.26 177.71 1sip s VAL 66 N 0.85 -0.06 -1.11 1.83 0.11 -0.07 -1.34 120.40 120.61 1sip s VAL 66 Ca -0.06 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 58.99 1sip s VAL 66 Cb -0.15 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.70 1sip s VAL 66 CO -0.02 0.00 0.00 0.18 -3.33 0.00 0.00 175.10 171.93 1sip n LEU 67 N 3.95 -1.51 -0.70 2.54 4.77 -1.26 -3.24 117.00 121.55 1sip n LEU 67 Ca -0.18 0.02 -0.06 0.00 -0.03 0.00 0.00 56.01 55.76 1sip n LEU 67 Cb 0.57 -1.97 -0.00 0.00 -2.33 0.00 0.00 43.42 39.69 1sip n LEU 67 CO 0.01 -0.19 -0.08 0.61 -1.33 0.00 0.00 177.39 176.41 1sip n GLY 68 N -1.05 0.12 3.14 -0.72 0.00 -1.26 -5.02 105.19 100.40 1sip n GLY 68 Ca -0.15 -0.63 -0.23 0.00 0.00 0.00 0.00 46.02 45.01 1sip n GLY 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sip s LYS 69 N -4.29 1.18 -0.23 1.61 1.02 -1.20 -5.12 119.74 112.70 1sip s LYS 69 Ca 0.00 -0.64 -0.04 0.00 0.02 0.00 0.00 55.97 55.31 1sip s LYS 69 Cb 0.00 -1.17 -0.01 0.00 -0.52 0.00 0.00 37.83 36.14 1sip s LYS 69 CO 0.00 0.31 -0.02 1.03 -0.92 0.00 0.00 175.35 175.75 1sip s ARG 70 N -0.63 3.33 0.10 1.68 0.52 -1.26 -0.90 118.95 121.79 1sip s ARG 70 Ca 0.05 -0.66 0.05 0.00 -0.52 0.00 0.00 55.73 54.65 1sip s ARG 70 Cb -0.07 -3.07 -0.03 0.00 0.52 0.00 0.00 34.95 32.30 1sip s ARG 70 CO 0.00 -0.24 -0.13 -1.50 0.02 0.00 0.00 175.30 173.45 1sip s ILE 71 N 1.48 1.17 -0.08 1.52 2.07 -0.15 -5.01 121.20 122.20 1sip s ILE 71 Ca 0.05 -1.59 0.03 0.00 -1.41 0.00 0.00 60.65 57.73 1sip s ILE 71 Cb -0.15 -1.37 -0.02 0.00 0.13 0.00 0.00 42.46 41.06 1sip s ILE 71 CO -0.02 -0.40 -0.18 -0.13 -1.91 0.00 0.00 174.94 172.30 1sip s ARG 72 N -2.46 2.86 0.04 3.50 3.00 -1.26 -0.81 118.95 123.81 1sip s ARG 72 Ca 0.05 -0.76 -0.27 0.00 0.00 0.00 0.00 55.73 54.75 1sip s ARG 72 Cb -0.06 -2.40 0.09 0.00 0.00 0.00 0.00 34.95 32.59 1sip s ARG 72 CO 0.02 0.38 1.22 0.20 0.00 0.00 0.00 175.30 177.12 1sip s GLY 73 N -0.12 -0.11 0.00 -3.53 0.00 -0.38 -4.86 107.32 98.32 1sip s GLY 73 Ca -0.03 0.04 -0.24 0.00 0.00 0.00 0.00 44.72 44.50 1sip s GLY 73 CO 0.04 3.92 0.74 -1.59 0.00 0.00 0.00 173.10 176.21 1sip s THR 74 N -2.14 4.86 0.04 0.90 2.01 -1.26 -1.64 115.64 118.40 1sip s THR 74 Ca 0.25 1.56 0.05 0.00 0.31 0.00 0.00 61.69 63.86 1sip s THR 74 Cb -0.00 -4.09 -0.02 0.00 0.01 0.00 0.00 72.50 68.40 1sip s THR 74 CO 0.00 0.32 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.49 1sip s ILE 75 N 0.26 1.04 0.10 1.82 -1.09 -0.44 -4.76 121.20 118.13 1sip s ILE 75 Ca 0.38 -1.02 0.04 0.00 -2.23 0.00 0.00 60.65 57.82 1sip s ILE 75 Cb -0.19 -0.96 -0.04 0.00 -1.58 0.00 0.00 42.46 39.69 1sip s ILE 75 CO 0.21 -0.05 0.06 -0.04 -1.23 0.00 0.00 174.94 173.88 1sip s MET 76 N -1.22 2.76 0.03 2.79 -1.94 -0.15 -2.03 119.30 119.54 1sip s MET 76 Ca 0.00 -0.77 0.08 0.00 -1.71 0.00 0.00 55.69 53.29 1sip s MET 76 Cb -0.08 -2.65 -0.03 0.00 2.01 0.00 0.00 34.83 34.09 1sip s MET 76 CO 0.01 0.54 -0.23 0.99 -0.01 0.00 0.00 175.02 176.33 1sip s THR 77 N -1.41 2.39 -2.43 2.05 2.01 0.57 -2.34 115.64 116.47 1sip s THR 77 Ca 0.28 -1.25 0.00 0.00 0.31 0.00 0.00 61.69 61.03 1sip s THR 77 Cb -0.12 -1.94 0.00 0.00 0.01 0.00 0.00 72.50 70.45 1sip s THR 77 CO 0.21 0.40 0.00 0.61 -0.69 0.00 0.00 174.62 175.15 1sip n GLY 78 N 1.82 -0.97 1.79 4.40 0.00 -0.86 -1.57 105.19 109.81 1sip n GLY 78 Ca -0.17 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 44.92 1sip n GLY 78 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1sip n ASP 79 N 0.82 0.00 -4.70 1.61 2.03 -1.26 -4.27 116.55 110.79 1sip n ASP 79 Ca 0.00 -0.65 -0.39 0.00 0.52 0.00 0.00 54.79 54.27 1sip n ASP 79 Cb 0.00 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.34 1sip n ASP 79 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1sip s THR 80 N 1.50 5.12 0.41 5.18 -1.32 -1.26 -4.93 115.64 120.34 1sip s THR 80 Ca 0.00 1.06 0.09 0.00 -1.21 0.00 0.00 61.69 61.63 1sip s THR 80 Cb 0.00 -3.88 0.22 0.00 -1.51 0.00 0.00 72.50 67.33 1sip s THR 80 CO 0.00 0.25 2.00 1.55 -2.21 0.00 0.00 174.62 176.21 1sip h PRO 81 N 7.02 0.36 -4.40 7.08 0.13 -1.98 -3.43 132.00 136.77 1sip h PRO 81 Ca -0.38 -0.05 -0.32 0.00 -0.87 0.00 0.00 66.00 64.39 1sip h PRO 81 Cb 1.17 -0.07 -0.27 0.00 0.13 0.00 0.00 31.00 31.96 1sip h PRO 81 CO 0.75 0.34 -0.75 -1.50 -0.23 0.00 0.00 178.00 176.61 1sip s ILE 82 N -5.11 0.47 -0.02 -3.56 2.07 -1.26 -5.13 121.20 108.66 1sip s ILE 82 Ca -0.07 -0.43 -0.30 0.00 -1.41 0.00 0.00 60.65 58.45 1sip s ILE 82 Cb 0.16 -0.43 -0.03 0.00 0.13 0.00 0.00 42.46 42.30 1sip s ILE 82 CO 0.73 0.01 1.00 0.20 -1.91 0.00 0.00 174.94 174.97 1sip s ASN 83 N -0.45 7.32 0.06 4.50 0.01 -1.26 -4.85 114.94 120.27 1sip s ASN 83 Ca -0.00 1.66 0.08 0.00 -0.71 0.00 0.00 52.86 53.89 1sip s ASN 83 Cb -0.04 -2.57 -0.03 0.00 0.41 0.00 0.00 41.25 39.02 1sip s ASN 83 CO -0.00 -0.31 -0.23 0.27 -1.51 0.00 0.00 177.10 175.31 1sip s ILE 84 N 1.23 1.89 -0.38 0.60 -4.36 0.22 -0.34 121.20 120.06 1sip s ILE 84 Ca 0.52 -1.36 -0.11 0.00 -0.26 0.00 0.00 60.65 59.44 1sip s ILE 84 Cb -0.21 -1.64 0.04 0.00 1.25 0.00 0.00 42.46 41.90 1sip s ILE 84 CO 0.26 0.22 0.22 -0.36 0.24 0.00 0.00 174.94 175.51 1sip s PHE 85 N -0.87 3.26 0.45 1.37 0.40 -0.86 -1.98 117.98 119.75 1sip s PHE 85 Ca 0.09 -1.08 -0.08 0.00 -0.60 0.00 0.00 56.93 55.27 1sip s PHE 85 Cb -0.09 -2.54 0.10 0.00 0.51 0.00 0.00 43.02 41.00 1sip s PHE 85 CO 0.03 -0.69 0.61 0.41 0.70 0.00 0.00 175.22 176.27 1sip n GLY 86 N 4.98 -1.30 0.31 4.36 0.00 -1.11 -1.53 105.19 110.91 1sip n GLY 86 Ca -0.12 -1.69 0.19 0.00 0.00 0.00 0.00 46.02 44.41 1sip n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1sip h ARG 87 N 0.00 0.00 -0.50 1.61 3.08 -0.17 -3.19 114.38 115.21 1sip h ARG 87 Ca -0.20 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.74 1sip h ARG 87 Cb 0.54 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.58 1sip h ARG 87 CO 0.14 0.02 -0.14 -2.95 -1.07 0.00 0.00 179.97 175.97 1sip h ASN 88 N 0.00 0.96 0.61 7.04 -1.07 -1.75 -2.82 115.58 118.55 1sip h ASN 88 Ca -0.00 -0.32 -0.28 0.00 0.07 0.00 0.00 56.30 55.77 1sip h ASN 88 Cb 0.21 -0.26 -0.03 0.00 -2.07 0.00 0.00 38.32 36.16 1sip h ASN 88 CO 0.00 1.09 -1.47 -0.07 0.07 0.00 0.00 177.43 177.05 1sip h LEU 89 N 0.85 0.13 -0.55 6.14 4.07 -1.87 -3.37 115.31 120.71 1sip h LEU 89 Ca 0.13 -0.20 -0.15 0.00 0.08 0.00 0.00 57.88 57.74 1sip h LEU 89 Cb 0.69 -0.04 -0.02 0.00 1.08 0.00 0.00 40.66 42.36 1sip h LEU 89 CO 0.05 1.17 -0.73 -0.07 -1.08 0.00 0.00 178.44 177.78 1sip h LEU 90 N 0.02 0.01 0.02 1.67 3.38 -1.58 -2.72 115.31 116.11 1sip h LEU 90 Ca -0.20 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.76 1sip h LEU 90 Cb 1.95 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.69 1sip h LEU 90 CO 0.12 0.73 -0.01 0.71 0.09 0.00 0.00 178.44 180.08 1sip h THR 91 N 0.01 1.25 -0.64 0.22 1.35 -1.68 0.33 112.91 113.73 1sip h THR 91 Ca -0.01 -0.83 0.13 0.00 -0.55 0.00 0.00 66.41 65.15 1sip h THR 91 Cb 1.29 1.81 -0.10 0.00 -1.73 0.00 0.00 68.15 69.41 1sip h THR 91 CO 0.10 0.21 0.07 0.00 -0.25 0.00 0.00 175.52 175.64 1sip h ALA 92 N 0.58 0.71 0.00 6.62 0.00 -1.72 -2.26 119.26 123.20 1sip h ALA 92 Ca -0.00 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1sip h ALA 92 Cb 0.37 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1sip h ALA 92 CO 0.00 -0.37 0.00 1.28 0.00 0.00 0.00 179.25 180.17 1sip n LEU 93 N -5.23 0.02 -1.95 0.00 4.77 -1.03 -4.92 117.00 108.68 1sip n LEU 93 Ca 0.10 0.50 -0.08 0.00 -0.03 0.00 0.00 56.01 56.51 1sip n LEU 93 Cb 0.38 -0.50 0.04 0.00 -2.33 0.00 0.00 43.42 41.00 1sip n LEU 93 CO 0.12 -0.19 0.06 0.61 -1.33 0.00 0.00 177.39 176.66 1sip n GLY 94 N 0.40 0.18 3.70 -0.72 0.00 -0.85 -5.04 105.19 102.87 1sip n GLY 94 Ca 0.04 -0.25 -0.31 0.00 0.00 0.00 0.00 46.02 45.51 1sip n GLY 94 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1sip s MET 95 N -4.88 2.65 0.08 1.61 -1.94 0.11 -5.03 119.30 111.90 1sip s MET 95 Ca 0.08 -0.78 0.04 0.00 -1.71 0.00 0.00 55.69 53.32 1sip s MET 95 Cb -0.03 -2.60 -0.03 0.00 2.01 0.00 0.00 34.83 34.18 1sip s MET 95 CO 0.31 0.56 -0.11 -1.54 -0.01 0.00 0.00 175.02 174.22 1sip s SER 96 N -2.22 1.41 -0.45 3.03 1.04 -1.26 -4.68 113.70 110.58 1sip s SER 96 Ca 0.26 -0.69 -0.10 0.00 0.48 0.00 0.00 55.95 55.89 1sip s SER 96 Cb -0.12 -0.01 0.09 0.00 0.10 0.00 0.00 66.02 66.09 1sip s SER 96 CO 0.18 -0.19 0.31 -0.22 0.98 0.00 0.00 173.24 174.31 1sip s LEU 97 N -2.03 5.42 0.01 2.42 2.96 -1.26 -5.08 118.68 121.12 1sip s LEU 97 Ca -0.00 -1.60 -0.06 0.00 -0.22 0.00 0.00 54.13 52.25 1sip s LEU 97 Cb -0.07 -2.03 -0.05 0.00 0.50 0.00 0.00 46.19 44.54 1sip s LEU 97 CO 0.01 -0.61 0.26 0.20 -1.32 0.00 0.00 176.35 174.89 1sip s ASN 98 N 2.41 6.48 0.00 3.68 0.02 -1.26 -5.31 114.94 120.96 1sip s ASN 98 Ca 0.04 0.53 0.00 0.00 -1.02 0.00 0.00 52.86 52.41 1sip s ASN 98 Cb -0.24 -2.08 0.00 0.00 0.02 0.00 0.00 41.25 38.95 1sip s ASN 98 CO 0.02 0.25 0.00 2.22 0.02 0.00 0.00 177.10 179.61