#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gic s VAL 17 N 0.00 1.30 -1.51 1.39 -7.23 -0.73 -1.79 120.40 111.83 3gic s VAL 17 Ca 0.00 -0.75 -0.06 0.00 -1.81 0.00 0.00 61.98 59.36 3gic s VAL 17 Cb 0.00 -1.09 0.01 0.00 0.56 0.00 0.00 36.38 35.86 3gic s VAL 17 CO 0.00 0.33 0.75 -0.62 -0.31 0.00 0.00 175.10 175.25 3gic n GLU 18 N 2.57 -5.60 -0.69 4.82 -0.58 -1.26 -1.81 120.64 118.09 3gic n GLU 18 Ca -0.15 0.88 0.00 0.00 -0.42 0.00 0.00 57.16 57.47 3gic n GLU 18 Cb 0.54 -5.78 0.00 0.00 -0.57 0.00 0.00 31.44 25.63 3gic n GLU 18 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3gic n GLY 19 N -1.63 1.22 3.39 0.62 0.00 -1.26 -4.11 105.19 103.42 3gic n GLY 19 Ca -0.08 -2.01 -0.20 0.00 0.00 0.00 0.00 46.02 43.73 3gic n GLY 19 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gic s SER 20 N -1.00 2.21 0.11 1.61 1.04 -0.78 -4.90 113.70 112.00 3gic s SER 20 Ca 0.00 -1.28 -0.31 0.00 0.48 0.00 0.00 55.95 54.84 3gic s SER 20 Cb 0.00 -0.06 -0.09 0.00 0.10 0.00 0.00 66.02 65.97 3gic s SER 20 CO 0.00 -0.52 1.58 -1.81 0.98 0.00 0.00 173.24 173.47 3gic s ASP 21 N -3.40 6.63 0.66 7.02 1.01 -1.26 -0.76 116.67 126.57 3gic s ASP 21 Ca 0.32 2.50 -0.15 0.00 0.71 0.00 0.00 52.55 55.93 3gic s ASP 21 Cb 0.06 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 41.42 3gic s ASP 21 CO 0.12 -0.83 1.13 0.00 0.21 0.00 0.00 175.17 175.80 3gic s ALA 22 N 1.83 2.44 0.43 5.23 0.00 0.28 -4.80 121.76 127.16 3gic s ALA 22 Ca 0.71 0.62 -0.10 0.00 0.00 0.00 0.00 51.96 53.19 3gic s ALA 22 Cb -0.41 -3.34 -0.06 0.00 0.00 0.00 0.00 23.12 19.31 3gic s ALA 22 CO 0.31 -1.32 0.78 -1.21 0.00 0.00 0.00 175.76 174.33 3gic s GLU 23 N -3.99 3.73 0.20 0.00 2.02 -1.26 -4.85 118.70 114.54 3gic s GLU 23 Ca 0.69 0.44 -0.33 0.00 0.02 0.00 0.00 54.97 55.79 3gic s GLU 23 Cb -0.22 -2.37 -0.13 0.00 0.10 0.00 0.00 34.13 31.51 3gic s GLU 23 CO 0.41 -0.09 1.64 -0.89 0.02 0.00 0.00 175.26 176.35 3gic n ILE 24 N -1.52 0.14 -0.95 -1.63 5.41 -1.26 -1.98 119.36 117.58 3gic n ILE 24 Ca 0.02 -0.04 0.00 0.00 1.00 0.00 0.00 62.75 63.74 3gic n ILE 24 Cb 0.54 -1.79 0.00 0.00 -0.71 0.00 0.00 39.64 37.68 3gic n ILE 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3gic n GLY 25 N 3.50 0.73 0.16 7.39 0.00 -1.26 -4.93 105.19 110.78 3gic n GLY 25 Ca 0.15 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.20 3gic n GLY 25 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 3gic h MET 26 N 2.04 0.00 -2.07 1.61 -1.53 -1.77 -3.35 114.93 109.86 3gic h MET 26 Ca 0.00 0.00 -0.57 0.00 -3.44 0.00 0.00 59.70 55.69 3gic h MET 26 Cb 0.00 0.00 -0.40 0.00 -0.55 0.00 0.00 31.60 30.65 3gic h MET 26 CO 0.00 0.50 -0.99 0.43 0.14 0.00 0.00 176.91 176.99 3gic n SER 27 N -3.45 0.90 0.00 1.39 7.64 -1.26 -4.97 113.62 113.86 3gic n SER 27 Ca 0.00 -2.83 0.11 0.00 1.01 0.00 0.00 58.87 57.16 3gic n SER 27 Cb 0.63 -0.64 0.57 0.00 -1.01 0.00 0.00 64.21 63.76 3gic n SER 27 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 3gic n PRO 28 N 1.38 0.27 0.00 1.43 -0.04 -1.26 -1.40 135.00 135.38 3gic n PRO 28 Ca 0.23 0.07 0.13 0.00 -0.04 0.00 0.00 63.50 63.90 3gic n PRO 28 Cb 0.50 -1.50 0.45 0.00 -0.04 0.00 0.00 33.50 32.91 3gic n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 3gic n TRP 29 N -1.32 0.00 -1.96 0.54 2.14 -0.88 -1.65 117.44 114.30 3gic n TRP 29 Ca 0.10 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.25 3gic n TRP 29 Cb 0.20 -0.15 -0.03 0.00 -0.81 0.00 0.00 31.31 30.52 3gic n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 3gic s GLN 30 N -2.51 4.23 -0.02 -2.67 2.00 -0.49 -0.78 119.66 119.41 3gic s GLN 30 Ca 0.25 2.34 0.05 0.00 -2.00 0.00 0.00 55.36 56.00 3gic s GLN 30 Cb 0.19 -3.15 -0.01 0.00 0.80 0.00 0.00 33.01 30.85 3gic s GLN 30 CO 0.51 -0.56 -0.17 0.08 -0.50 0.00 0.00 175.29 174.64 3gic s VAL 31 N 0.90 1.39 -0.19 1.34 1.01 -0.21 -4.05 120.40 120.58 3gic s VAL 31 Ca 0.68 -0.73 -0.05 0.00 0.00 0.00 0.00 61.98 61.87 3gic s VAL 31 Cb -0.43 -1.16 -0.03 0.00 0.00 0.00 0.00 36.38 34.76 3gic s VAL 31 CO 0.34 0.39 0.00 -0.04 0.00 0.00 0.00 175.10 175.79 3gic s MET 32 N -0.28 3.65 -0.24 2.72 1.00 -0.24 -0.99 119.30 124.90 3gic s MET 32 Ca 0.04 -0.51 -0.10 0.00 0.00 0.00 0.00 55.69 55.11 3gic s MET 32 Cb -0.08 -3.07 -0.05 0.00 0.00 0.00 0.00 34.83 31.63 3gic s MET 32 CO 0.00 0.05 0.16 -1.17 0.00 0.00 0.00 175.02 174.06 3gic s LEU 33 N 0.89 4.10 0.04 -0.03 2.96 -0.15 -1.39 118.68 125.10 3gic s LEU 33 Ca 0.01 0.10 0.09 0.00 -0.22 0.00 0.00 54.13 54.11 3gic s LEU 33 Cb -0.14 -2.10 -0.03 0.00 0.50 0.00 0.00 46.19 44.42 3gic s LEU 33 CO 0.02 0.06 -0.26 -0.36 -1.32 0.00 0.00 176.35 174.49 3gic s PHE 34 N 1.09 2.33 0.28 5.38 0.08 -0.01 -0.38 117.98 126.74 3gic s PHE 34 Ca 0.07 -0.41 -0.29 0.00 0.12 0.00 0.00 56.93 56.42 3gic s PHE 34 Cb -0.14 -1.40 -0.09 0.00 -0.57 0.00 0.00 43.02 40.82 3gic s PHE 34 CO 0.05 0.11 1.14 0.50 -0.10 0.00 0.00 175.22 176.91 3gic s ARG 35 N -1.17 4.59 -0.01 0.44 3.52 0.05 -1.66 118.95 124.70 3gic s ARG 35 Ca 0.12 1.87 -0.23 0.00 -0.13 0.00 0.00 55.73 57.35 3gic s ARG 35 Cb -0.10 -3.18 -0.19 0.00 -1.56 0.00 0.00 34.95 29.92 3gic s ARG 35 CO 0.02 0.13 1.23 0.87 -0.81 0.00 0.00 175.30 176.74 3gic h LYS 36 N 3.92 0.18 -2.89 5.12 1.57 -1.39 -2.79 116.57 120.29 3gic h LYS 36 Ca -0.47 -0.12 -0.33 0.00 -1.87 0.00 0.00 60.65 57.87 3gic h LYS 36 Cb 1.21 0.01 -0.37 0.00 0.08 0.00 0.00 32.23 33.17 3gic h LYS 36 CO 0.68 0.70 -0.65 -1.12 -0.57 0.00 0.00 179.45 178.48 3gic s SER 36 N -6.02 1.23 0.58 0.86 0.01 -1.26 -2.54 113.70 106.56 3gic s SER 36 Ca -0.15 -0.01 -0.17 0.00 1.31 0.00 0.00 55.95 56.92 3gic s SER 36 Cb 0.03 0.23 -0.04 0.00 0.21 0.00 0.00 66.02 66.44 3gic s SER 36 CO 0.72 -0.29 1.07 -2.16 0.41 0.00 0.00 173.24 172.99 3gic s PRO 37 N 2.28 3.33 -0.02 12.44 0.04 -1.26 -5.04 135.00 146.76 3gic s PRO 37 Ca 0.04 1.33 -0.30 0.00 0.04 0.00 0.00 61.00 62.11 3gic s PRO 37 Cb -0.14 -2.03 -0.08 0.00 0.04 0.00 0.00 34.50 32.30 3gic s PRO 37 CO -0.08 -0.82 1.93 -0.65 0.04 0.00 0.00 177.00 177.42 3gic s GLN 38 N -3.79 4.02 -0.15 4.56 -1.52 -1.05 -4.72 119.66 117.00 3gic s GLN 38 Ca 0.66 2.44 -0.17 0.00 -1.95 0.00 0.00 55.36 56.34 3gic s GLN 38 Cb -0.18 -4.15 0.04 0.00 -0.22 0.00 0.00 33.01 28.50 3gic s GLN 38 CO 0.33 -1.08 0.47 -1.83 -0.25 0.00 0.00 175.29 172.93 3gic s GLU 39 N 4.61 0.59 0.00 2.91 -1.05 -1.05 -4.98 118.70 119.73 3gic s GLU 39 Ca 0.87 0.55 -0.30 0.00 -0.15 0.00 0.00 54.97 55.93 3gic s GLU 39 Cb -0.39 0.29 -0.05 0.00 -0.44 0.00 0.00 34.13 33.53 3gic s GLU 39 CO 0.38 -0.09 1.37 -1.17 0.95 0.00 0.00 175.26 176.70 3gic s LEU 40 N 0.01 4.32 -0.24 1.83 2.96 -1.26 -0.77 118.68 125.52 3gic s LEU 40 Ca -0.02 2.09 -0.03 0.00 -0.22 0.00 0.00 54.13 55.94 3gic s LEU 40 Cb -0.03 -3.56 -0.14 0.00 0.50 0.00 0.00 46.19 42.96 3gic s LEU 40 CO 0.02 -0.69 -0.25 0.18 -1.32 0.00 0.00 176.35 174.29 3gic n LEU 41 N 5.20 2.55 -3.68 -0.68 4.77 0.49 -4.92 117.00 120.74 3gic n LEU 41 Ca 0.13 0.02 -0.06 0.00 -0.03 0.00 0.00 56.01 56.07 3gic n LEU 41 Cb 0.44 -0.78 -0.02 0.00 -2.33 0.00 0.00 43.42 40.73 3gic n LEU 41 CO 0.58 0.76 0.61 0.00 -1.33 0.00 0.00 177.39 178.01 3gic s GLY 43 N -2.82 1.76 0.05 0.00 0.00 0.85 -0.97 107.32 106.19 3gic s GLY 43 Ca 0.09 -1.70 -0.27 0.00 0.00 0.00 0.00 44.72 42.84 3gic s GLY 43 CO -0.01 -1.09 1.20 0.00 0.00 0.00 0.00 173.10 173.19 3gic s ALA 44 N -3.25 -2.11 0.01 3.20 0.00 -0.16 -3.23 121.76 116.22 3gic s ALA 44 Ca 0.68 0.09 0.00 0.00 0.00 0.00 0.00 51.96 52.73 3gic s ALA 44 Cb -0.05 0.71 -0.01 0.00 0.00 0.00 0.00 23.12 23.77 3gic s ALA 44 CO 0.46 -1.10 -0.02 -1.54 0.00 0.00 0.00 175.76 173.56 3gic s SER 45 N -3.44 0.19 -0.32 0.00 1.04 -0.05 -1.04 113.70 110.08 3gic s SER 45 Ca 0.22 -0.27 -0.21 0.00 0.48 0.00 0.00 55.95 56.17 3gic s SER 45 Cb 0.00 0.05 -0.00 0.00 0.10 0.00 0.00 66.02 66.16 3gic s SER 45 CO 0.00 -0.15 0.68 -0.22 0.98 0.00 0.00 173.24 174.53 3gic s LEU 46 N -0.78 4.16 0.00 2.42 2.96 0.04 -0.49 118.68 126.98 3gic s LEU 46 Ca -0.08 0.40 0.12 0.00 -0.22 0.00 0.00 54.13 54.35 3gic s LEU 46 Cb -0.05 -2.88 -0.11 0.00 0.50 0.00 0.00 46.19 43.64 3gic s LEU 46 CO -0.00 -0.56 0.53 2.30 -1.32 0.00 0.00 176.35 177.30 3gic n ILE 47 N 5.51 0.00 -3.73 6.68 -5.35 -0.62 -1.87 119.36 119.98 3gic n ILE 47 Ca 0.00 -0.24 -0.05 0.00 -0.27 0.00 0.00 62.75 62.19 3gic n ILE 47 Cb 0.49 1.02 0.02 0.00 -1.74 0.00 0.00 39.64 39.43 3gic n ILE 47 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 3gic n SER 48 N -1.13 -1.74 0.02 7.28 3.41 -1.19 -4.75 113.62 115.52 3gic n SER 48 Ca 0.03 -2.10 0.08 0.00 -0.26 0.00 0.00 58.87 56.62 3gic n SER 48 Cb 0.19 2.87 0.35 0.00 -0.26 0.00 0.00 64.21 67.36 3gic n SER 48 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3gic n ASP 49 N -1.34 0.10 0.00 4.04 3.85 -1.26 -3.59 116.55 118.35 3gic n ASP 49 Ca -0.05 0.52 0.00 0.00 -0.71 0.00 0.00 54.79 54.55 3gic n ASP 49 Cb 0.50 -0.54 0.00 0.00 -1.35 0.00 0.00 41.12 39.72 3gic n ASP 49 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 3gic n ARG 50 N -1.61 2.81 -5.16 0.11 1.74 -1.26 -0.73 116.66 112.56 3gic n ARG 50 Ca 0.04 -0.08 -0.30 0.00 -0.77 0.00 0.00 57.85 56.73 3gic n ARG 50 Cb 0.19 -0.43 -0.17 0.00 -1.02 0.00 0.00 32.46 31.03 3gic n ARG 50 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 3gic s TRP 51 N -0.42 2.31 -0.06 -1.55 0.52 -1.24 -0.50 118.94 118.00 3gic s TRP 51 Ca 0.00 -0.76 0.04 0.00 0.02 0.00 0.00 56.10 55.40 3gic s TRP 51 Cb 0.00 -1.53 0.00 0.00 -1.15 0.00 0.00 33.47 30.79 3gic s TRP 51 CO 0.00 -0.26 -0.17 0.08 0.02 0.00 0.00 176.95 176.62 3gic s VAL 52 N 0.02 1.44 -0.12 4.03 1.01 -0.11 -1.59 120.40 125.08 3gic s VAL 52 Ca -0.08 -0.69 -0.06 0.00 0.00 0.00 0.00 61.98 61.15 3gic s VAL 52 Cb -0.14 -1.25 -0.04 0.00 0.00 0.00 0.00 36.38 34.94 3gic s VAL 52 CO 0.05 0.42 0.10 -0.22 0.00 0.00 0.00 175.10 175.45 3gic s LEU 53 N 0.25 4.16 0.00 3.92 2.96 0.36 -0.87 118.68 129.46 3gic s LEU 53 Ca -0.09 0.36 -0.02 0.00 -0.22 0.00 0.00 54.13 54.17 3gic s LEU 53 Cb -0.14 -2.00 0.01 0.00 0.50 0.00 0.00 46.19 44.56 3gic s LEU 53 CO 0.04 0.38 0.23 1.07 -1.32 0.00 0.00 176.35 176.74 3gic n THR 54 N 2.15 0.00 -3.22 3.68 5.66 -0.45 -0.87 114.28 121.23 3gic n THR 54 Ca -0.19 -0.70 -0.36 0.00 -3.05 0.00 0.00 64.05 59.75 3gic n THR 54 Cb 0.54 0.46 -0.06 0.00 -1.55 0.00 0.00 70.33 69.72 3gic n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3gic s ALA 55 N -1.98 3.49 0.34 1.79 0.00 -1.25 -1.11 121.76 123.03 3gic s ALA 55 Ca 0.11 0.02 0.02 0.00 0.00 0.00 0.00 51.96 52.11 3gic s ALA 55 Cb -0.01 -2.68 0.60 0.00 0.00 0.00 0.00 23.12 21.03 3gic s ALA 55 CO 0.08 0.39 1.97 0.00 0.00 0.00 0.00 175.76 178.20 3gic h ALA 56 N 3.48 1.48 0.00 0.00 0.00 -1.69 -2.52 119.26 120.01 3gic h ALA 56 Ca -0.48 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.35 3gic h ALA 56 Cb 1.19 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.74 3gic h ALA 56 CO 0.65 0.44 0.00 -2.39 0.00 0.00 0.00 179.25 177.95 3gic n HIS 57 N -4.40 0.76 0.25 0.00 1.44 -1.26 -0.83 115.22 111.17 3gic n HIS 57 Ca 0.06 0.32 0.13 0.00 -2.01 0.00 0.00 57.72 56.22 3gic n HIS 57 Cb 0.09 -1.02 0.55 0.00 0.12 0.00 0.00 29.99 29.72 3gic n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3gic n LEU 59 N -3.25 0.00 -3.54 0.00 4.77 -0.09 -4.97 117.00 109.93 3gic n LEU 59 Ca 0.00 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.78 3gic n LEU 59 Cb 0.38 0.12 -0.14 0.00 -2.33 0.00 0.00 43.42 41.44 3gic n LEU 59 CO 0.31 0.12 -0.24 -0.22 -1.33 0.00 0.00 177.39 176.02 3gic s LEU 60 N -4.26 0.03 0.15 2.23 2.96 -0.01 -1.52 118.68 118.26 3gic s LEU 60 Ca -0.03 -0.30 -0.14 0.00 -0.22 0.00 0.00 54.13 53.44 3gic s LEU 60 Cb 0.02 0.19 0.02 0.00 0.50 0.00 0.00 46.19 46.91 3gic s LEU 60 CO 0.23 -0.33 0.38 -0.47 -1.32 0.00 0.00 176.35 174.84 3gic s TYR 60 N 2.27 0.01 0.00 5.38 5.04 0.34 -4.16 117.35 126.22 3gic s TYR 60 Ca 0.05 -0.37 0.00 0.00 -2.44 0.00 0.00 57.07 54.32 3gic s TYR 60 Cb -0.16 0.18 0.00 0.00 0.35 0.00 0.00 41.96 42.33 3gic s TYR 60 CO -0.11 -0.75 0.00 -2.30 -1.34 0.00 0.00 175.55 171.06 3gic n PRO 60 N -0.23 0.00 -0.63 4.97 -0.02 -1.26 -2.27 135.00 135.55 3gic n PRO 60 Ca -0.12 0.00 0.08 0.00 -2.02 0.00 0.00 63.50 61.44 3gic n PRO 60 Cb 0.63 0.00 0.33 0.00 -0.02 0.00 0.00 33.50 34.44 3gic n PRO 60 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 3gic n TRP 60 N 0.00 1.45 -2.96 6.00 8.01 -1.26 -4.95 117.44 123.73 3gic n TRP 60 Ca 0.00 -0.73 -0.22 0.00 -1.31 0.00 0.00 57.50 55.25 3gic n TRP 60 Cb 0.00 -0.34 0.03 0.00 -2.01 0.00 0.00 31.31 28.99 3gic n TRP 60 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.69 173.21 3gic n ASP 60 N 0.39 -5.99 -4.41 -0.99 4.64 -1.18 -4.96 116.55 104.05 3gic n ASP 60 Ca 0.24 -0.26 -0.38 0.00 -1.38 0.00 0.00 54.79 53.01 3gic n ASP 60 Cb 0.97 -4.82 -0.12 0.00 -1.04 0.00 0.00 41.12 36.10 3gic n ASP 60 CO 0.00 0.00 0.00 -0.75 -0.82 0.00 0.00 177.20 175.63 3gic s LYS 60 N -5.63 3.33 -0.49 -0.67 2.20 -0.96 -4.97 119.74 112.55 3gic s LYS 60 Ca 0.28 -0.70 0.06 0.00 -0.36 0.00 0.00 55.97 55.25 3gic s LYS 60 Cb -0.12 -3.44 0.21 0.00 -1.51 0.00 0.00 37.83 32.97 3gic s LYS 60 CO 0.34 -0.37 0.75 -1.71 -0.36 0.00 0.00 175.35 174.00 3gic n ASN 60 N 4.93 -2.88 -4.77 1.43 5.15 -1.25 -0.51 115.26 117.37 3gic n ASN 60 Ca -0.15 -3.01 -0.38 0.00 -0.60 0.00 0.00 54.58 50.44 3gic n ASN 60 Cb 0.49 1.50 -0.04 0.00 -0.53 0.00 0.00 39.78 41.21 3gic n ASN 60 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 3gic s PHE 60 N 0.65 3.31 0.42 1.20 0.08 -0.58 -5.03 117.98 118.03 3gic s PHE 60 Ca 0.31 1.64 0.08 0.00 0.12 0.00 0.00 56.93 59.08 3gic s PHE 60 Cb 0.09 -3.25 0.00 0.00 -0.57 0.00 0.00 43.02 39.29 3gic s PHE 60 CO -0.14 -0.80 0.53 0.95 -0.10 0.00 0.00 175.22 175.66 3gic s THR 60 N -1.43 2.92 0.28 0.64 -4.23 -1.26 -4.97 115.64 107.59 3gic s THR 60 Ca 0.53 -1.08 -0.01 0.00 -1.18 0.00 0.00 61.69 59.96 3gic s THR 60 Cb -0.28 -3.00 0.28 0.00 1.34 0.00 0.00 72.50 70.84 3gic s THR 60 CO 0.35 0.00 1.88 -0.33 -0.54 0.00 0.00 174.62 175.97 3gic h GLU 61 N 0.73 1.07 0.00 3.99 3.07 -1.93 -1.88 114.58 119.63 3gic h GLU 61 Ca -0.40 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.39 3gic h GLU 61 Cb 1.28 -0.24 0.00 0.00 -0.84 0.00 0.00 28.75 28.95 3gic h GLU 61 CO 0.48 0.71 0.00 0.09 -1.40 0.00 0.00 179.01 178.89 3gic n ASN 62 N -4.53 0.00 0.07 1.42 5.03 -1.26 -2.79 115.26 113.20 3gic n ASN 62 Ca 0.16 -0.13 0.13 0.00 0.87 0.00 0.00 54.58 55.61 3gic n ASN 62 Cb 0.23 -0.26 0.36 0.00 -1.02 0.00 0.00 39.78 39.09 3gic n ASN 62 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 3gic n ASP 63 N -1.26 0.65 -4.29 6.41 8.00 -0.71 -4.92 116.55 120.44 3gic n ASP 63 Ca 0.12 0.38 -0.17 0.00 0.71 0.00 0.00 54.79 55.83 3gic n ASP 63 Cb 0.19 -0.42 -0.10 0.00 -0.02 0.00 0.00 41.12 40.77 3gic n ASP 63 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3gic s LEU 64 N -4.14 2.51 0.12 0.64 1.43 -1.12 -1.01 118.68 117.11 3gic s LEU 64 Ca 0.10 -0.96 -0.08 0.00 -1.03 0.00 0.00 54.13 52.15 3gic s LEU 64 Cb 0.14 -0.55 -0.01 0.00 0.03 0.00 0.00 46.19 45.81 3gic s LEU 64 CO 0.63 -0.21 0.22 -1.48 0.23 0.00 0.00 176.35 175.74 3gic s LEU 65 N -3.03 1.24 0.11 1.79 0.05 -0.67 -4.41 118.68 113.77 3gic s LEU 65 Ca 0.17 -0.78 0.09 0.00 0.05 0.00 0.00 54.13 53.66 3gic s LEU 65 Cb -0.01 1.06 -0.04 0.00 -2.05 0.00 0.00 46.19 45.16 3gic s LEU 65 CO 0.04 -0.80 -0.22 0.68 -0.55 0.00 0.00 176.35 175.49 3gic s VAL 66 N -3.92 1.85 -0.05 1.48 -7.23 -0.39 -0.83 120.40 111.33 3gic s VAL 66 Ca 0.11 -1.60 0.06 0.00 -1.81 0.00 0.00 61.98 58.75 3gic s VAL 66 Cb 0.04 -1.67 -0.02 0.00 0.56 0.00 0.00 36.38 35.30 3gic s VAL 66 CO -0.06 -0.02 -0.23 -0.13 -0.31 0.00 0.00 175.10 174.36 3gic s ARG 67 N -1.94 2.42 0.02 4.82 0.52 -0.49 -1.13 118.95 123.18 3gic s ARG 67 Ca 0.08 -0.87 0.05 0.00 -0.52 0.00 0.00 55.73 54.47 3gic s ARG 67 Cb -0.10 -2.17 -0.02 0.00 0.52 0.00 0.00 34.95 33.18 3gic s ARG 67 CO 0.05 0.47 -0.14 0.42 0.02 0.00 0.00 175.30 176.12 3gic s ILE 68 N -0.39 1.14 0.00 1.52 1.01 0.10 -1.08 121.20 123.49 3gic s ILE 68 Ca 0.03 -0.89 0.00 0.00 0.00 0.00 0.00 60.65 59.80 3gic s ILE 68 Cb -0.12 -1.00 0.00 0.00 0.01 0.00 0.00 42.46 41.35 3gic s ILE 68 CO 0.02 0.11 0.00 0.61 0.00 0.00 0.00 174.94 175.67 3gic n GLY 69 N 2.15 0.55 3.79 6.18 0.00 -1.26 -0.75 105.19 115.86 3gic n GLY 69 Ca -0.17 -0.33 -0.38 0.00 0.00 0.00 0.00 46.02 45.14 3gic n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gic s LYS 70 N -0.71 4.43 -0.08 1.61 1.02 -1.26 -4.33 119.74 120.41 3gic s LYS 70 Ca 0.00 1.05 -0.04 0.00 0.02 0.00 0.00 55.97 57.00 3gic s LYS 70 Cb 0.00 -3.03 -0.04 0.00 -0.52 0.00 0.00 37.83 34.24 3gic s LYS 70 CO 0.00 0.46 -0.11 1.58 -0.92 0.00 0.00 175.35 176.36 3gic n HIS 71 N 1.08 0.00 -3.51 3.18 -0.00 -1.26 -4.91 115.22 109.81 3gic n HIS 71 Ca -0.03 0.00 -0.37 0.00 -0.00 0.00 0.00 57.72 57.31 3gic n HIS 71 Cb 0.50 -0.30 -0.06 0.00 -0.00 0.00 0.00 29.99 30.12 3gic n HIS 71 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 3gic s SER 72 N -5.67 6.60 0.26 0.26 0.15 -1.26 -0.26 113.70 113.78 3gic s SER 72 Ca -0.12 0.71 -0.00 0.00 0.70 0.00 0.00 55.95 57.24 3gic s SER 72 Cb 0.04 -2.22 0.35 0.00 -1.71 0.00 0.00 66.02 62.49 3gic s SER 72 CO 0.15 0.17 1.73 -0.09 1.20 0.00 0.00 173.24 176.40 3gic h ARG 73 N 5.92 0.65 0.00 5.44 2.43 -1.43 -3.35 114.38 124.05 3gic h ARG 73 Ca -0.46 -0.22 0.00 0.00 -0.81 0.00 0.00 59.98 58.50 3gic h ARG 73 Cb 1.19 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.68 3gic h ARG 73 CO 0.70 0.77 -1.00 0.25 -1.51 0.00 0.00 179.97 179.17 3gic n THR 74 N -4.16 0.00 -3.66 0.20 -2.24 -1.26 -4.95 114.28 98.20 3gic n THR 74 Ca 0.01 -0.25 -0.36 0.00 -2.27 0.00 0.00 64.05 61.19 3gic n THR 74 Cb 0.36 0.60 -0.08 0.00 -2.10 0.00 0.00 70.33 69.11 3gic n THR 74 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3gic s ARG 75 N -2.33 4.20 0.08 -0.78 3.52 -1.26 -5.07 118.95 117.31 3gic s ARG 75 Ca -0.00 -0.10 -0.30 0.00 -0.13 0.00 0.00 55.73 55.19 3gic s ARG 75 Cb 0.07 -3.42 -0.06 0.00 -1.56 0.00 0.00 34.95 29.98 3gic s ARG 75 CO 0.40 0.29 1.16 -0.47 -0.81 0.00 0.00 175.30 175.87 3gic s TYR 76 N 0.37 3.49 -0.75 5.12 5.04 -1.26 -4.66 117.35 124.68 3gic s TYR 76 Ca 0.11 1.40 -0.05 0.00 -2.44 0.00 0.00 57.07 56.09 3gic s TYR 76 Cb -0.12 -3.37 0.19 0.00 0.35 0.00 0.00 41.96 39.02 3gic s TYR 76 CO 0.00 -1.03 0.62 -1.21 -1.34 0.00 0.00 175.55 172.59 3gic s GLU 77 N 0.76 3.03 0.20 4.97 2.02 -1.26 -5.05 118.70 123.37 3gic s GLU 77 Ca 0.56 -2.74 -0.33 0.00 0.02 0.00 0.00 54.97 52.49 3gic s GLU 77 Cb -0.29 -3.97 -0.13 0.00 0.10 0.00 0.00 34.13 29.85 3gic s GLU 77 CO 0.30 -1.22 1.62 -2.13 0.02 0.00 0.00 175.26 173.85 3gic n ARG 77 N 3.26 2.44 -0.82 1.61 0.63 -1.26 -1.53 116.66 120.98 3gic n ARG 77 Ca 0.13 0.88 0.00 0.00 -0.92 0.00 0.00 57.85 57.94 3gic n ARG 77 Cb 0.40 -2.67 0.00 0.00 0.45 0.00 0.00 32.46 30.64 3gic n ARG 77 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 3gic n ASN 78 N 3.37 -1.54 0.02 6.15 3.02 -1.26 -4.76 115.26 120.26 3gic n ASN 78 Ca 0.15 0.00 -0.01 0.00 -0.03 0.00 0.00 54.58 54.69 3gic n ASN 78 Cb 0.32 -1.58 -0.00 0.00 -0.61 0.00 0.00 39.78 37.91 3gic n ASN 78 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 3gic n ILE 79 N -2.16 1.19 -2.56 2.41 5.41 -0.63 -5.03 119.36 118.00 3gic n ILE 79 Ca 0.00 0.34 -0.36 0.00 1.00 0.00 0.00 62.75 63.73 3gic n ILE 79 Cb 0.09 -1.68 -0.04 0.00 -0.71 0.00 0.00 39.64 37.30 3gic n ILE 79 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 3gic s GLU 80 N -2.07 4.18 0.05 0.38 -1.05 -0.58 -4.77 118.70 114.83 3gic s GLU 80 Ca -0.05 1.50 0.06 0.00 -0.15 0.00 0.00 54.97 56.33 3gic s GLU 80 Cb 0.01 -2.54 -0.02 0.00 -0.44 0.00 0.00 34.13 31.14 3gic s GLU 80 CO 0.07 -0.13 -0.17 0.15 0.95 0.00 0.00 175.26 176.13 3gic s LYS 81 N -2.51 1.07 -0.06 -4.83 -0.14 0.07 -4.95 119.74 108.40 3gic s LYS 81 Ca 0.58 -0.87 0.03 0.00 -1.36 0.00 0.00 55.97 54.35 3gic s LYS 81 Cb -0.22 -1.14 -0.02 0.00 -1.68 0.00 0.00 37.83 34.77 3gic s LYS 81 CO 0.27 0.28 -0.15 -1.50 -0.76 0.00 0.00 175.35 173.49 3gic s ILE 82 N -0.91 2.98 -0.02 2.17 2.07 -1.26 -0.73 121.20 125.51 3gic s ILE 82 Ca 0.03 -0.75 0.03 0.00 -1.41 0.00 0.00 60.65 58.56 3gic s ILE 82 Cb -0.09 -2.17 -0.00 0.00 0.13 0.00 0.00 42.46 40.33 3gic s ILE 82 CO 0.02 0.58 -0.10 -0.44 -1.91 0.00 0.00 174.94 173.09 3gic s SER 83 N -0.56 1.26 0.66 4.50 0.01 -0.29 -5.00 113.70 114.29 3gic s SER 83 Ca 0.08 -0.19 -0.06 0.00 1.31 0.00 0.00 55.95 57.09 3gic s SER 83 Cb -0.11 -0.22 0.05 0.00 0.21 0.00 0.00 66.02 65.94 3gic s SER 83 CO 0.01 0.11 0.96 -0.04 0.41 0.00 0.00 173.24 174.69 3gic s MET 84 N -0.08 2.39 -0.15 12.44 1.00 -1.26 -1.26 119.30 132.39 3gic s MET 84 Ca 0.01 -0.26 -0.04 0.00 0.00 0.00 0.00 55.69 55.40 3gic s MET 84 Cb -0.06 -2.23 -0.03 0.00 0.00 0.00 0.00 34.83 32.51 3gic s MET 84 CO -0.00 -1.06 -0.01 -0.51 0.00 0.00 0.00 175.02 173.44 3gic s LEU 85 N -5.14 3.43 -0.04 -0.03 1.43 -1.26 -1.32 118.68 115.75 3gic s LEU 85 Ca 0.58 -0.04 -0.16 0.00 -1.03 0.00 0.00 54.13 53.48 3gic s LEU 85 Cb -0.11 -1.83 -0.32 0.00 0.03 0.00 0.00 46.19 43.97 3gic s LEU 85 CO 0.44 0.20 0.80 -0.08 0.23 0.00 0.00 176.35 177.94 3gic h GLU 86 N 6.48 0.38 -2.20 1.70 4.81 -0.53 -3.43 114.58 121.78 3gic h GLU 86 Ca -0.35 -0.66 -0.07 0.00 -0.13 0.00 0.00 59.36 58.16 3gic h GLU 86 Cb 1.18 0.24 -0.21 0.00 0.63 0.00 0.00 28.75 30.60 3gic h GLU 86 CO 0.64 1.31 0.06 0.21 -0.73 0.00 0.00 179.01 180.50 3gic s LYS 87 N -2.52 0.83 -0.10 1.92 2.47 -1.19 -4.96 119.74 116.19 3gic s LYS 87 Ca -0.14 0.62 -0.01 0.00 -1.56 0.00 0.00 55.97 54.88 3gic s LYS 87 Cb 0.04 0.40 -0.03 0.00 -1.46 0.00 0.00 37.83 36.78 3gic s LYS 87 CO 0.86 -0.17 -0.05 0.42 0.16 0.00 0.00 175.35 176.56 3gic s ILE 88 N -0.24 3.79 -0.16 5.43 1.01 -1.26 -0.47 121.20 129.30 3gic s ILE 88 Ca -0.04 -0.43 -0.00 0.00 0.00 0.00 0.00 60.65 60.18 3gic s ILE 88 Cb -0.03 -2.59 0.04 0.00 0.01 0.00 0.00 42.46 39.88 3gic s ILE 88 CO 0.04 0.56 -0.06 -0.31 0.00 0.00 0.00 174.94 175.17 3gic s TYR 89 N -0.36 1.71 -0.10 3.97 1.51 0.62 -5.00 117.35 119.70 3gic s TYR 89 Ca 0.05 -1.04 -0.06 0.00 -1.01 0.00 0.00 57.07 55.01 3gic s TYR 89 Cb -0.12 -1.32 -0.04 0.00 -0.11 0.00 0.00 41.96 40.36 3gic s TYR 89 CO 0.02 -0.60 0.15 0.42 -1.11 0.00 0.00 175.55 174.42 3gic s ILE 90 N 1.63 5.48 0.12 2.71 1.01 -1.26 -0.65 121.20 130.23 3gic s ILE 90 Ca 0.02 0.13 -0.34 0.00 0.00 0.00 0.00 60.65 60.46 3gic s ILE 90 Cb -0.15 -3.42 -0.14 0.00 0.01 0.00 0.00 42.46 38.77 3gic s ILE 90 CO -0.08 0.56 1.63 1.57 0.00 0.00 0.00 174.94 178.62 3gic n HIS 91 N 1.79 2.27 0.28 3.97 -0.00 -1.01 -4.85 115.22 117.68 3gic n HIS 91 Ca -0.18 0.22 0.13 0.00 -0.00 0.00 0.00 57.72 57.89 3gic n HIS 91 Cb 0.55 -2.56 0.60 0.00 -0.00 0.00 0.00 29.99 28.57 3gic n HIS 91 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 3gic h PRO 92 N 6.47 0.00 -0.40 1.57 0.13 -1.94 -1.89 132.00 135.95 3gic h PRO 92 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3gic h PRO 92 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 3gic h PRO 92 CO 0.90 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 179.21 3gic n ARG 93 N -2.37 3.03 -1.69 0.86 1.74 -1.26 -4.98 116.66 111.99 3gic n ARG 93 Ca 0.00 -2.43 -0.51 0.00 -0.77 0.00 0.00 57.85 54.14 3gic n ARG 93 Cb 0.14 -1.54 -0.05 0.00 -1.02 0.00 0.00 32.46 29.99 3gic n ARG 93 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 3gic n TYR 94 N 0.43 2.26 -3.40 -1.55 9.36 -0.71 -4.69 117.16 118.87 3gic n TYR 94 Ca 0.17 0.13 -0.43 0.00 3.32 0.00 0.00 57.90 61.09 3gic n TYR 94 Cb 0.63 -2.62 -0.02 0.00 -0.63 0.00 0.00 39.34 36.71 3gic n TYR 94 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 3gic s ASN 95 N 3.98 6.99 0.35 2.98 3.84 -0.18 -4.85 114.94 128.05 3gic s ASN 95 Ca 0.94 -3.54 0.18 0.00 0.21 0.00 0.00 52.86 50.66 3gic s ASN 95 Cb -0.79 -2.15 0.46 0.00 -0.55 0.00 0.00 41.25 38.22 3gic s ASN 95 CO 0.55 -0.29 1.62 4.11 -2.79 0.00 0.00 177.10 180.31 3gic h TRP 96 N 6.63 0.00 -0.41 0.43 5.08 -1.90 0.17 115.95 125.95 3gic h TRP 96 Ca 0.17 0.00 -0.02 0.00 1.08 0.00 0.00 58.89 60.12 3gic h TRP 96 Cb 0.88 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 27.02 3gic h TRP 96 CO 0.77 0.40 0.19 0.00 -1.28 0.00 0.00 178.44 178.52 3gic h ARG 97 N 0.00 0.59 0.00 0.12 3.08 -2.00 -3.43 114.38 112.73 3gic h ARG 97 Ca -0.00 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 59.95 3gic h ARG 97 Cb 1.08 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.03 3gic h ARG 97 CO 0.05 0.53 -0.10 -0.85 -1.07 0.00 0.00 179.97 178.53 3gic n GLU 97 N -4.67 0.05 0.00 0.04 0.28 -1.24 -4.96 120.64 110.15 3gic n GLU 97 Ca 0.00 0.02 0.00 0.00 -0.16 0.00 0.00 57.16 57.02 3gic n GLU 97 Cb 0.12 -0.39 0.00 0.00 1.43 0.00 0.00 31.44 32.60 3gic n GLU 97 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 3gic n ASN 98 N -2.81 1.04 -2.70 -1.84 0.23 -1.23 -4.94 115.26 103.00 3gic n ASN 98 Ca -0.01 -1.31 -0.22 0.00 -0.53 0.00 0.00 54.58 52.51 3gic n ASN 98 Cb 0.05 0.00 0.01 0.00 -2.08 0.00 0.00 39.78 37.77 3gic n ASN 98 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 3gic n LEU 99 N -0.16 -2.31 -4.76 -4.53 4.32 0.58 -4.97 117.00 105.17 3gic n LEU 99 Ca 0.00 -0.15 -0.40 0.00 -0.02 0.00 0.00 56.01 55.44 3gic n LEU 99 Cb 0.17 -2.97 0.02 0.00 -1.62 0.00 0.00 43.42 39.03 3gic n LEU 99 CO 0.00 0.00 1.07 -0.62 -1.22 0.00 0.00 177.39 176.63 3gic s ASP 100 N -2.37 5.78 -1.31 -1.43 2.15 -1.24 -2.84 116.67 115.41 3gic s ASP 100 Ca 0.15 2.94 -0.03 0.00 0.43 0.00 0.00 52.55 56.04 3gic s ASP 100 Cb -0.07 -2.65 0.01 0.00 -0.30 0.00 0.00 42.92 39.91 3gic s ASP 100 CO 0.18 -1.25 0.93 0.54 -0.17 0.00 0.00 175.17 175.41 3gic n ARG 101 N -0.29 -6.15 -2.57 4.34 1.74 -1.26 -1.01 116.66 111.45 3gic n ARG 101 Ca 0.06 0.74 -0.43 0.00 -0.77 0.00 0.00 57.85 57.45 3gic n ARG 101 Cb 0.42 -5.59 -0.00 0.00 -1.02 0.00 0.00 32.46 26.26 3gic n ARG 101 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3gic s ASP 102 N -4.04 6.80 -0.10 0.55 2.15 -1.13 -4.18 116.67 116.71 3gic s ASP 102 Ca 0.19 -2.37 -0.12 0.00 0.43 0.00 0.00 52.55 50.68 3gic s ASP 102 Cb -0.09 -2.58 0.03 0.00 -0.30 0.00 0.00 42.92 39.98 3gic s ASP 102 CO 0.77 -1.21 0.33 -0.51 -0.17 0.00 0.00 175.17 174.38 3gic s ILE 103 N 4.34 0.01 0.02 4.11 2.07 -1.26 -3.83 121.20 126.67 3gic s ILE 103 Ca 0.54 -0.09 -0.12 0.00 -1.41 0.00 0.00 60.65 59.56 3gic s ILE 103 Cb 0.04 -0.50 0.01 0.00 0.13 0.00 0.00 42.46 42.14 3gic s ILE 103 CO 0.07 -0.05 0.25 0.00 -1.91 0.00 0.00 174.94 173.30 3gic s ALA 104 N -0.11 -0.57 0.04 1.50 0.00 -0.27 -2.39 121.76 119.96 3gic s ALA 104 Ca -0.03 -0.02 0.07 0.00 0.00 0.00 0.00 51.96 51.98 3gic s ALA 104 Cb -0.03 0.23 -0.03 0.00 0.00 0.00 0.00 23.12 23.29 3gic s ALA 104 CO 0.01 -0.34 -0.17 -0.51 0.00 0.00 0.00 175.76 174.76 3gic s LEU 105 N -1.83 2.69 -0.08 0.00 1.43 0.17 -1.34 118.68 119.72 3gic s LEU 105 Ca -0.08 -0.40 0.01 0.00 -1.03 0.00 0.00 54.13 52.63 3gic s LEU 105 Cb -0.03 -1.56 0.02 0.00 0.03 0.00 0.00 46.19 44.65 3gic s LEU 105 CO -0.01 0.25 -0.11 -0.04 0.23 0.00 0.00 176.35 176.67 3gic s MET 106 N -1.51 1.64 -0.15 1.70 -1.94 -0.05 -0.28 119.30 118.72 3gic s MET 106 Ca 0.15 -0.36 -0.16 0.00 -1.71 0.00 0.00 55.69 53.62 3gic s MET 106 Cb -0.11 -1.46 -0.04 0.00 2.01 0.00 0.00 34.83 35.23 3gic s MET 106 CO 0.06 -0.07 0.37 0.21 -0.01 0.00 0.00 175.02 175.58 3gic s LYS 107 N 1.01 4.28 0.41 2.03 2.20 0.38 -0.94 119.74 129.12 3gic s LYS 107 Ca -0.08 0.24 -0.23 0.00 -0.36 0.00 0.00 55.97 55.53 3gic s LYS 107 Cb -0.15 -3.44 -0.09 0.00 -1.51 0.00 0.00 37.83 32.64 3gic s LYS 107 CO -0.00 0.18 1.04 -0.51 -0.36 0.00 0.00 175.35 175.69 3gic s LEU 108 N 0.61 4.10 0.30 5.43 1.43 0.34 0.11 118.68 131.00 3gic s LEU 108 Ca 0.20 1.99 0.01 0.00 -1.03 0.00 0.00 54.13 55.30 3gic s LEU 108 Cb -0.14 -4.25 0.48 0.00 0.03 0.00 0.00 46.19 42.31 3gic s LEU 108 CO 0.07 -0.50 1.85 0.11 0.23 0.00 0.00 176.35 178.10 3gic h LYS 109 N 2.36 0.73 -4.40 1.70 1.57 -1.49 -3.40 116.57 113.65 3gic h LYS 109 Ca -0.48 -0.15 -0.23 0.00 -1.87 0.00 0.00 60.65 57.92 3gic h LYS 109 Cb 1.21 -0.11 -0.20 0.00 0.08 0.00 0.00 32.23 33.21 3gic h LYS 109 CO 0.62 0.68 -0.72 0.15 -0.57 0.00 0.00 179.45 179.61 3gic s LYS 110 N -5.16 0.52 0.56 3.15 -0.14 -1.26 -4.92 119.74 112.47 3gic s LYS 110 Ca -0.09 -0.82 -0.21 0.00 -1.36 0.00 0.00 55.97 53.49 3gic s LYS 110 Cb 0.16 -0.14 -0.04 0.00 -1.68 0.00 0.00 37.83 36.12 3gic s LYS 110 CO 0.79 0.00 1.27 -1.25 -0.76 0.00 0.00 175.35 175.40 3gic s PRO 111 N -1.99 3.13 0.17 -1.68 0.04 -1.26 -4.88 135.00 128.53 3gic s PRO 111 Ca -0.08 2.00 -0.16 0.00 0.04 0.00 0.00 61.00 62.81 3gic s PRO 111 Cb -0.07 -2.13 -0.07 0.00 0.04 0.00 0.00 34.50 32.26 3gic s PRO 111 CO -0.01 -1.12 0.60 0.54 0.04 0.00 0.00 177.00 177.04 3gic s VAL 112 N -1.45 4.77 0.02 -0.36 0.11 0.09 -5.01 120.40 118.56 3gic s VAL 112 Ca 0.73 0.97 -0.29 0.00 -2.93 0.00 0.00 61.98 60.46 3gic s VAL 112 Cb -0.35 -3.77 -0.04 0.00 -1.53 0.00 0.00 36.38 30.69 3gic s VAL 112 CO 0.40 0.23 0.92 0.00 -3.33 0.00 0.00 175.10 173.32 3gic s ALA 113 N -1.48 3.22 0.57 1.54 0.00 -1.26 -4.79 121.76 119.56 3gic s ALA 113 Ca 0.39 0.47 -0.17 0.00 0.00 0.00 0.00 51.96 52.65 3gic s ALA 113 Cb -0.15 -3.25 -0.05 0.00 0.00 0.00 0.00 23.12 19.67 3gic s ALA 113 CO 0.20 -0.15 1.07 -0.06 0.00 0.00 0.00 175.76 176.81 3gic s PHE 114 N 0.70 2.92 0.00 0.00 0.08 -1.26 -4.86 117.98 115.56 3gic s PHE 114 Ca 0.48 1.53 0.00 0.00 0.12 0.00 0.00 56.93 59.06 3gic s PHE 114 Cb -0.21 -3.06 0.00 0.00 -0.57 0.00 0.00 43.02 39.18 3gic s PHE 114 CO 0.27 -1.15 0.00 -1.13 -0.10 0.00 0.00 175.22 173.10 3gic n SER 115 N -1.77 0.00 0.30 1.36 3.41 -0.25 -4.94 113.62 111.73 3gic n SER 115 Ca 0.09 -0.95 0.18 0.00 -0.26 0.00 0.00 58.87 57.92 3gic n SER 115 Cb 0.52 0.00 0.91 0.00 -0.26 0.00 0.00 64.21 65.39 3gic n SER 115 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3gic h ASP 116 N 0.00 0.00 -0.00 4.04 3.32 -2.00 -3.13 116.42 118.64 3gic h ASP 116 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3gic h ASP 116 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3gic h ASP 116 CO 0.00 0.04 -0.49 -1.22 -1.72 0.00 0.00 179.24 175.85 3gic n TYR 117 N -3.35 0.00 -3.76 4.55 4.01 -1.26 -4.77 117.16 112.58 3gic n TYR 117 Ca -0.02 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.46 3gic n TYR 117 Cb 0.18 0.00 -0.17 0.00 -0.31 0.00 0.00 39.34 39.04 3gic n TYR 117 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3gic s ILE 118 N -2.03 0.51 -0.27 -0.72 1.01 -1.18 -4.23 121.20 114.28 3gic s ILE 118 Ca 0.07 -0.34 -0.24 0.00 0.00 0.00 0.00 60.65 60.15 3gic s ILE 118 Cb 0.10 -0.88 0.08 0.00 0.01 0.00 0.00 42.46 41.77 3gic s ILE 118 CO 0.46 -0.03 0.77 -2.28 0.00 0.00 0.00 174.94 173.86 3gic s HIS 119 N 1.88 -0.77 0.47 3.97 2.46 -0.66 -1.09 115.29 121.56 3gic s HIS 119 Ca 0.01 1.82 -0.20 0.00 0.47 0.00 0.00 55.06 57.17 3gic s HIS 119 Cb -0.15 0.33 -0.09 0.00 -0.13 0.00 0.00 32.58 32.53 3gic s HIS 119 CO -0.07 -0.37 0.99 -1.25 -2.47 0.00 0.00 174.74 171.57 3gic s PRO 120 N 0.52 3.98 0.30 2.88 0.04 -1.26 -2.08 135.00 139.38 3gic s PRO 120 Ca -0.01 1.18 -0.06 0.00 0.04 0.00 0.00 61.00 62.15 3gic s PRO 120 Cb -0.05 -2.13 -0.06 0.00 0.04 0.00 0.00 34.50 32.30 3gic s PRO 120 CO -0.03 -0.26 0.59 0.54 0.04 0.00 0.00 177.00 177.88 3gic s VAL 121 N -2.20 4.98 0.34 -0.36 0.11 -0.78 -4.91 120.40 117.58 3gic s VAL 121 Ca 0.63 0.19 -0.20 0.00 -2.93 0.00 0.00 61.98 59.67 3gic s VAL 121 Cb -0.12 -3.72 -0.10 0.00 -1.53 0.00 0.00 36.38 30.91 3gic s VAL 121 CO 0.20 -0.33 0.85 0.00 -3.33 0.00 0.00 175.10 172.48 3gic s LEU 123 N -2.70 4.33 0.45 0.00 1.43 -1.26 -0.51 118.68 120.42 3gic s LEU 123 Ca 0.54 1.45 -0.23 0.00 -1.03 0.00 0.00 54.13 54.87 3gic s LEU 123 Cb -0.12 -3.64 -0.08 0.00 0.03 0.00 0.00 46.19 42.38 3gic s LEU 123 CO 0.18 0.02 1.15 -2.16 0.23 0.00 0.00 176.35 175.77 3gic s PRO 124 N -2.01 3.79 0.66 1.29 0.04 -1.26 -4.88 135.00 132.63 3gic s PRO 124 Ca 0.44 1.75 0.01 0.00 0.04 0.00 0.00 61.00 63.24 3gic s PRO 124 Cb -0.17 -2.42 0.10 0.00 0.04 0.00 0.00 34.50 32.06 3gic s PRO 124 CO 0.21 -0.52 0.91 0.16 0.04 0.00 0.00 177.00 177.81 3gic s ASP 125 N -1.38 4.67 0.14 6.66 1.47 -1.26 -4.87 116.67 122.10 3gic s ASP 125 Ca 0.63 -0.38 -0.17 0.00 1.18 0.00 0.00 52.55 53.81 3gic s ASP 125 Cb -0.28 -0.14 -0.01 0.00 -0.34 0.00 0.00 42.92 42.16 3gic s ASP 125 CO 0.34 -1.62 1.79 -0.09 0.68 0.00 0.00 175.17 176.27 3gic h ARG 126 N -0.28 0.47 -0.24 2.11 2.43 -1.98 -2.85 114.38 114.04 3gic h ARG 126 Ca -0.36 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 58.68 3gic h ARG 126 Cb 1.28 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.71 3gic h ARG 126 CO 0.43 0.33 -0.24 1.05 -1.51 0.00 0.00 179.97 180.03 3gic h GLU 127 N 0.48 0.45 -0.96 0.20 4.11 -2.04 -0.00 114.58 116.81 3gic h GLU 127 Ca 0.13 -0.16 0.00 0.00 0.07 0.00 0.00 59.36 59.40 3gic h GLU 127 Cb -0.03 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.19 3gic h GLU 127 CO -0.03 0.66 0.00 2.41 0.07 0.00 0.00 179.01 182.13 3gic n THR 128 N -4.13 0.19 0.00 -1.06 -1.04 -1.08 -1.16 114.28 105.99 3gic n THR 128 Ca -0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3gic n THR 128 Cb 0.39 -0.44 0.00 0.00 -1.82 0.00 0.00 70.33 68.47 3gic n THR 128 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3gic n ALA 129 N 0.53 0.00 -0.00 2.41 0.00 -0.02 -0.98 120.51 122.46 3gic n ALA 129 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.26 3gic n ALA 129 Cb 0.15 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.51 3gic n ALA 129 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3gic h SER 129 N 0.00 0.76 0.08 0.00 0.87 -1.39 -3.39 113.55 110.48 3gic h SER 129 Ca 0.00 -0.69 -0.24 0.00 -1.23 0.00 0.00 61.79 59.63 3gic h SER 129 Cb 0.00 -0.23 -0.04 0.00 -0.44 0.00 0.00 62.40 61.69 3gic h SER 129 CO 0.00 1.33 -2.16 0.18 -0.53 0.00 0.00 176.83 175.65 3gic n LEU 129 N -4.06 0.11 -4.26 2.23 4.77 -0.15 -4.73 117.00 110.90 3gic n LEU 129 Ca -0.09 0.05 -0.43 0.00 -0.03 0.00 0.00 56.01 55.51 3gic n LEU 129 Cb 0.72 0.30 0.00 0.00 -2.33 0.00 0.00 43.42 42.12 3gic n LEU 129 CO 0.50 0.32 1.96 0.18 -1.33 0.00 0.00 177.39 179.02 3gic n LEU 130 N -2.63 5.68 -4.02 2.23 4.32 -1.26 -4.84 117.00 116.48 3gic n LEU 130 Ca -0.22 -4.23 -0.16 0.00 -0.02 0.00 0.00 56.01 51.38 3gic n LEU 130 Cb 0.95 -1.65 -0.13 0.00 -1.62 0.00 0.00 43.42 40.97 3gic n LEU 130 CO 0.44 0.70 -0.41 -1.10 -1.22 0.00 0.00 177.39 175.79 3gic s GLN 131 N 2.67 0.55 0.26 3.23 -0.21 -1.26 -4.96 119.66 119.94 3gic s GLN 131 Ca 0.47 -0.45 -0.31 0.00 0.02 0.00 0.00 55.36 55.10 3gic s GLN 131 Cb 0.05 -0.47 -0.12 0.00 1.00 0.00 0.00 33.01 33.47 3gic s GLN 131 CO 0.01 0.12 1.57 0.00 -2.12 0.00 0.00 175.29 174.87 3gic n ALA 132 N 2.35 2.17 0.00 6.09 0.00 -1.26 -2.03 120.51 127.83 3gic n ALA 132 Ca -0.17 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.66 3gic n ALA 132 Cb 0.57 -2.42 0.00 0.00 0.00 0.00 0.00 19.45 17.60 3gic n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gic n GLY 133 N 2.48 3.17 3.75 0.00 0.00 0.42 -4.94 105.19 110.07 3gic n GLY 133 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 3gic n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gic s TYR 134 N -2.87 3.41 -0.05 1.61 1.51 -0.86 -4.57 117.35 115.53 3gic s TYR 134 Ca 0.00 1.50 -0.10 0.00 -1.01 0.00 0.00 57.07 57.46 3gic s TYR 134 Cb 0.00 -3.43 -0.05 0.00 -0.11 0.00 0.00 41.96 38.37 3gic s TYR 134 CO 0.00 -1.13 0.27 0.15 -1.11 0.00 0.00 175.55 173.73 3gic s LYS 135 N -0.87 3.65 0.47 -0.62 1.02 -1.26 -0.67 119.74 121.46 3gic s LYS 135 Ca 0.50 0.09 0.00 0.00 0.02 0.00 0.00 55.97 56.58 3gic s LYS 135 Cb -0.34 -3.17 -0.00 0.00 -0.52 0.00 0.00 37.83 33.80 3gic s LYS 135 CO 0.41 0.72 0.01 0.41 -0.92 0.00 0.00 175.35 175.97 3gic n GLY 136 N 1.73 3.60 3.10 -3.33 0.00 -0.10 -4.84 105.19 105.35 3gic n GLY 136 Ca -0.16 -2.35 -0.23 0.00 0.00 0.00 0.00 46.02 43.28 3gic n GLY 136 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3gic s ARG 137 N -3.68 1.28 0.03 1.61 3.52 0.25 -0.42 118.95 121.54 3gic s ARG 137 Ca 0.01 -0.50 0.07 0.00 -0.13 0.00 0.00 55.73 55.17 3gic s ARG 137 Cb 0.00 -1.20 -0.02 0.00 -1.56 0.00 0.00 34.95 32.17 3gic s ARG 137 CO 0.01 0.26 -0.20 0.08 -0.81 0.00 0.00 175.30 174.64 3gic s VAL 138 N -0.16 1.63 0.09 7.11 1.01 -0.50 -0.96 120.40 128.62 3gic s VAL 138 Ca 0.02 -1.11 0.05 0.00 0.00 0.00 0.00 61.98 60.94 3gic s VAL 138 Cb -0.07 -1.41 -0.03 0.00 0.00 0.00 0.00 36.38 34.87 3gic s VAL 138 CO 0.00 0.26 -0.13 0.28 0.00 0.00 0.00 175.10 175.51 3gic s THR 139 N -0.72 1.13 0.00 3.92 -1.32 -1.26 -1.44 115.64 115.95 3gic s THR 139 Ca 0.07 -1.44 0.00 0.00 -1.21 0.00 0.00 61.69 59.11 3gic s THR 139 Cb -0.09 -1.21 0.00 0.00 -1.51 0.00 0.00 72.50 69.69 3gic s THR 139 CO 0.01 -0.32 0.00 0.61 -2.21 0.00 0.00 174.62 172.71 3gic n GLY 140 N 1.01 -0.80 3.89 6.08 0.00 -0.91 -4.85 105.19 109.60 3gic n GLY 140 Ca -0.19 -0.99 -0.29 0.00 0.00 0.00 0.00 46.02 44.54 3gic n GLY 140 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3gic s TRP 141 N -2.00 3.49 -0.81 1.61 0.51 -1.26 0.36 118.94 120.85 3gic s TRP 141 Ca 0.00 0.95 -0.24 0.00 -2.12 0.00 0.00 56.10 54.69 3gic s TRP 141 Cb 0.00 -2.37 -0.16 0.00 -0.81 0.00 0.00 33.47 30.13 3gic s TRP 141 CO 0.00 -0.12 2.39 0.41 -0.51 0.00 0.00 176.95 179.12 3gic n GLY 142 N -1.50 -0.18 2.55 0.98 0.00 -1.26 -1.38 105.19 104.39 3gic n GLY 142 Ca 0.02 0.29 -0.15 0.00 0.00 0.00 0.00 46.02 46.18 3gic n GLY 142 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3gic n ASN 143 N 17.22 3.69 0.00 1.61 2.85 -0.74 -1.69 115.26 138.20 3gic n ASN 143 Ca 0.49 -2.18 0.00 0.00 -0.11 0.00 0.00 54.58 52.78 3gic n ASN 143 Cb 0.40 -0.91 0.00 0.00 1.24 0.00 0.00 39.78 40.51 3gic n ASN 143 CO 0.00 0.00 0.00 -0.11 -2.11 0.00 0.00 177.26 175.04 3gic n LEU 144 N 3.85 0.03 -0.84 1.20 0.00 -1.26 -4.68 117.00 115.30 3gic n LEU 144 Ca 0.33 -0.04 0.11 0.00 0.00 0.00 0.00 56.01 56.40 3gic n LEU 144 Cb 0.21 0.00 -0.03 0.00 0.00 0.00 0.00 43.42 43.60 3gic n LEU 144 CO 0.53 0.01 -0.20 1.17 0.00 0.00 0.00 177.39 178.90 3gic n LYS 145 N -0.02 -1.74 0.00 1.96 4.81 -0.68 -5.10 118.16 117.39 3gic n LYS 145 Ca 0.00 1.21 0.00 0.00 -0.87 0.00 0.00 58.31 58.65 3gic n LYS 145 Cb 0.13 -2.10 0.00 0.00 0.02 0.00 0.00 35.03 33.08 3gic n LYS 145 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3gic n GLY 150 N -3.14 -0.15 1.60 3.14 0.00 -1.26 -5.00 105.19 100.38 3gic n GLY 150 Ca -0.01 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.67 3gic n GLY 150 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3gic n GLN 151 N 0.00 0.00 0.28 1.61 -0.06 -1.26 -5.00 117.38 112.94 3gic n GLN 151 Ca 0.00 0.00 -0.14 0.00 -2.00 0.00 0.00 57.00 54.86 3gic n GLN 151 Cb 0.00 0.00 -0.08 0.00 -4.06 0.00 0.00 30.24 26.10 3gic n GLN 151 CO 0.00 0.00 0.00 -1.00 -0.20 0.00 0.00 177.06 175.86 3gic h PRO 152 N 0.00 -0.70 -6.26 3.69 0.13 -2.04 -3.46 132.00 123.37 3gic h PRO 152 Ca 0.00 0.05 -0.07 0.00 -0.87 0.00 0.00 66.00 65.10 3gic h PRO 152 Cb 0.00 0.16 0.00 0.00 0.13 0.00 0.00 31.00 31.29 3gic h PRO 152 CO 0.00 -0.39 -1.03 0.43 -0.23 0.00 0.00 178.00 176.78 3gic n SER 153 N -5.30 -6.54 -4.95 1.44 7.64 -1.26 -4.42 113.62 100.23 3gic n SER 153 Ca -0.11 0.40 -0.23 0.00 1.01 0.00 0.00 58.87 59.94 3gic n SER 153 Cb 0.33 -2.05 0.01 0.00 -1.01 0.00 0.00 64.21 61.49 3gic n SER 153 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 3gic s VAL 154 N -1.19 3.96 0.17 0.44 -7.23 -1.26 -1.37 120.40 113.91 3gic s VAL 154 Ca 0.08 -0.48 -0.33 0.00 -1.81 0.00 0.00 61.98 59.44 3gic s VAL 154 Cb -0.01 -3.47 -0.16 0.00 0.56 0.00 0.00 36.38 33.30 3gic s VAL 154 CO 0.26 -0.33 1.05 -0.11 -0.31 0.00 0.00 175.10 175.66 3gic n LEU 155 N -2.10 1.00 -4.75 1.32 7.94 0.64 -4.44 117.00 116.61 3gic n LEU 155 Ca 0.02 1.15 -0.26 0.00 -1.11 0.00 0.00 56.01 55.80 3gic n LEU 155 Cb 0.58 -1.15 -0.06 0.00 0.53 0.00 0.00 43.42 43.31 3gic n LEU 155 CO 0.48 -1.60 -0.26 -1.10 -1.11 0.00 0.00 177.39 173.80 3gic s GLN 156 N -0.51 2.73 -0.00 1.96 -1.52 0.16 -0.56 119.66 121.91 3gic s GLN 156 Ca 0.73 -0.97 0.04 0.00 -1.95 0.00 0.00 55.36 53.22 3gic s GLN 156 Cb -0.90 -2.54 -0.01 0.00 -0.22 0.00 0.00 33.01 29.34 3gic s GLN 156 CO 0.54 0.47 -0.13 0.54 -0.25 0.00 0.00 175.29 176.45 3gic s VAL 157 N -1.77 1.05 0.01 1.09 0.11 0.06 -2.14 120.40 118.81 3gic s VAL 157 Ca 0.30 -0.63 0.03 0.00 -2.93 0.00 0.00 61.98 58.75 3gic s VAL 157 Cb -0.10 -0.89 -0.01 0.00 -1.53 0.00 0.00 36.38 33.85 3gic s VAL 157 CO 0.22 0.25 -0.08 0.68 -3.33 0.00 0.00 175.10 172.84 3gic s VAL 158 N -0.39 0.63 -0.14 2.04 -7.23 -0.52 -1.86 120.40 112.93 3gic s VAL 158 Ca 0.05 -0.49 -0.00 0.00 -1.81 0.00 0.00 61.98 59.72 3gic s VAL 158 Cb -0.05 -0.56 -0.01 0.00 0.56 0.00 0.00 36.38 36.32 3gic s VAL 158 CO -0.00 0.07 -0.14 0.20 -0.31 0.00 0.00 175.10 174.92 3gic s ASN 159 N -0.47 3.85 -0.02 4.85 0.02 -1.26 -1.41 114.94 120.50 3gic s ASN 159 Ca 0.01 -0.40 0.02 0.00 -1.02 0.00 0.00 52.86 51.48 3gic s ASN 159 Cb -0.04 -1.59 0.00 0.00 0.02 0.00 0.00 41.25 39.64 3gic s ASN 159 CO -0.00 0.12 -0.09 -0.76 0.02 0.00 0.00 177.10 176.39 3gic s LEU 160 N 0.59 1.81 0.29 0.60 1.43 0.44 -4.92 118.68 118.92 3gic s LEU 160 Ca -0.08 -0.18 -0.28 0.00 -1.03 0.00 0.00 54.13 52.55 3gic s LEU 160 Cb -0.16 -0.54 -0.09 0.00 0.03 0.00 0.00 46.19 45.43 3gic s LEU 160 CO 0.03 0.07 0.97 -2.16 0.23 0.00 0.00 176.35 175.49 3gic s PRO 161 N 0.16 4.68 0.26 1.29 0.04 -1.26 -0.92 135.00 139.24 3gic s PRO 161 Ca -0.02 1.48 -0.30 0.00 0.04 0.00 0.00 61.00 62.20 3gic s PRO 161 Cb -0.08 -3.04 -0.10 0.00 0.04 0.00 0.00 34.50 31.32 3gic s PRO 161 CO 0.00 0.34 1.39 0.42 0.04 0.00 0.00 177.00 179.20 3gic s ILE 162 N -1.36 2.74 -0.00 0.56 1.01 0.15 -0.78 121.20 123.51 3gic s ILE 162 Ca 0.46 0.64 -0.06 0.00 0.00 0.00 0.00 60.65 61.69 3gic s ILE 162 Cb -0.24 -3.41 -0.05 0.00 0.01 0.00 0.00 42.46 38.77 3gic s ILE 162 CO 0.30 0.11 0.24 -0.69 0.00 0.00 0.00 174.94 174.91 3gic s VAL 163 N -0.26 5.34 0.28 2.92 1.01 0.03 -0.44 120.40 129.29 3gic s VAL 163 Ca 0.57 0.11 -0.30 0.00 0.00 0.00 0.00 61.98 62.36 3gic s VAL 163 Cb -0.41 -3.55 -0.13 0.00 0.00 0.00 0.00 36.38 32.29 3gic s VAL 163 CO 0.45 0.37 1.36 -0.62 0.00 0.00 0.00 175.10 176.67 3gic n GLU 164 N 1.14 2.10 -0.22 2.72 -0.58 -1.26 -4.64 120.64 119.89 3gic n GLU 164 Ca -0.12 0.74 0.01 0.00 -0.42 0.00 0.00 57.16 57.37 3gic n GLU 164 Cb 0.53 -2.37 0.12 0.00 -0.57 0.00 0.00 31.44 29.15 3gic n GLU 164 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 3gic h ARG 165 N 3.55 0.48 -0.52 3.49 2.43 -1.96 -1.06 114.38 120.79 3gic h ARG 165 Ca -0.45 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 58.63 3gic h ARG 165 Cb 1.28 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.69 3gic h ARG 165 CO 0.70 0.32 0.10 -1.35 -1.51 0.00 0.00 179.97 178.24 3gic h PRO 166 N 0.50 0.81 -0.61 0.20 0.11 -1.99 -0.10 132.00 130.91 3gic h PRO 166 Ca 0.33 -0.17 -0.06 0.00 0.11 0.00 0.00 66.00 66.20 3gic h PRO 166 Cb 0.38 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.35 3gic h PRO 166 CO -0.29 0.75 0.13 0.28 -0.21 0.00 0.00 178.00 178.66 3gic h VAL 167 N 0.78 1.25 -0.05 3.15 2.07 -1.74 -0.71 116.25 121.00 3gic h VAL 167 Ca 0.17 -0.94 -0.10 0.00 0.82 0.00 0.00 66.70 66.66 3gic h VAL 167 Cb 0.32 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 3gic h VAL 167 CO 0.00 0.35 -0.41 0.00 0.02 0.00 0.00 177.57 177.53 3gic h LYS 169 N 0.09 0.77 0.00 0.00 3.64 -0.63 -3.27 116.57 117.18 3gic h LYS 169 Ca 0.01 -0.40 0.00 0.00 -1.27 0.00 0.00 60.65 58.99 3gic h LYS 169 Cb 0.77 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.60 3gic h LYS 169 CO 0.06 1.02 0.00 -0.44 -2.27 0.00 0.00 179.45 177.82 3gic h ASP 170 N 0.54 0.00 0.71 4.20 3.32 -0.98 -3.21 116.42 121.01 3gic h ASP 170 Ca 0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.11 3gic h ASP 170 Cb 0.87 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.42 3gic h ASP 170 CO 0.07 0.00 -0.21 -1.54 -1.72 0.00 0.00 179.24 175.84 3gic n SER 171 N -2.53 0.27 -3.97 6.45 3.41 -1.02 -4.90 113.62 111.32 3gic n SER 171 Ca 0.03 0.04 -0.09 0.00 -0.26 0.00 0.00 58.87 58.59 3gic n SER 171 Cb 0.33 -0.14 -0.11 0.00 -0.26 0.00 0.00 64.21 64.03 3gic n SER 171 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3gic s THR 172 N -2.92 0.11 0.33 6.66 -1.32 -1.21 -4.73 115.64 112.55 3gic s THR 172 Ca 0.15 -0.88 0.12 0.00 -1.21 0.00 0.00 61.69 59.87 3gic s THR 172 Cb 0.19 -0.28 0.04 0.00 -1.51 0.00 0.00 72.50 70.94 3gic s THR 172 CO 0.59 -0.48 1.73 0.03 -2.21 0.00 0.00 174.62 174.28 3gic h ARG 173 N 4.63 0.00 -7.09 7.08 3.08 -1.90 -3.47 114.38 116.70 3gic h ARG 173 Ca -0.32 0.00 -0.51 0.00 0.07 0.00 0.00 59.98 59.22 3gic h ARG 173 Cb 1.21 0.00 0.08 0.00 0.08 0.00 0.00 29.97 31.34 3gic h ARG 173 CO 0.41 0.48 0.44 0.96 -1.07 0.00 0.00 179.97 181.19 3gic s ILE 174 N -3.93 3.05 -0.60 2.04 -4.36 -1.26 -4.95 121.20 111.19 3gic s ILE 174 Ca -0.02 0.65 -0.27 0.00 -0.26 0.00 0.00 60.65 60.75 3gic s ILE 174 Cb 0.14 -3.25 0.03 0.00 1.25 0.00 0.00 42.46 40.62 3gic s ILE 174 CO 0.74 -0.15 1.15 -0.60 0.24 0.00 0.00 174.94 176.32 3gic s ARG 175 N -3.32 3.43 0.37 0.37 3.52 -1.26 -5.01 118.95 117.05 3gic s ARG 175 Ca 0.74 0.06 -0.24 0.00 -0.13 0.00 0.00 55.73 56.16 3gic s ARG 175 Cb -0.25 -4.05 -0.10 0.00 -1.56 0.00 0.00 34.95 28.99 3gic s ARG 175 CO 0.29 -1.71 0.97 0.96 -0.81 0.00 0.00 175.30 175.00 3gic s ILE 176 N 4.84 4.16 0.39 4.11 -4.36 -1.26 -4.85 121.20 124.23 3gic s ILE 176 Ca 0.39 1.61 0.08 0.00 -0.26 0.00 0.00 60.65 62.47 3gic s ILE 176 Cb -0.09 -3.81 -0.06 0.00 1.25 0.00 0.00 42.46 39.75 3gic s ILE 176 CO 0.23 -0.03 0.09 0.42 0.24 0.00 0.00 174.94 175.89 3gic s THR 177 N -1.80 2.31 -0.09 8.37 -4.23 -1.26 -5.01 115.64 113.93 3gic s THR 177 Ca 0.56 -1.84 0.27 0.00 -1.18 0.00 0.00 61.69 59.50 3gic s THR 177 Cb -0.16 -2.95 0.28 0.00 1.34 0.00 0.00 72.50 71.01 3gic s THR 177 CO 0.21 -0.05 1.83 0.44 -0.54 0.00 0.00 174.62 176.51 3gic h ASP 178 N 1.61 0.00 -0.03 3.99 3.32 -2.03 -2.24 116.42 121.04 3gic h ASP 178 Ca -0.43 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.62 3gic h ASP 178 Cb 1.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.80 3gic h ASP 178 CO 0.72 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.83 3gic n ASN 179 N -2.48 0.31 -4.24 6.45 3.02 -1.26 -4.80 115.26 112.25 3gic n ASN 179 Ca -0.01 -1.47 -0.21 0.00 -0.03 0.00 0.00 54.58 52.86 3gic n ASN 179 Cb 0.12 -0.02 -0.12 0.00 -0.61 0.00 0.00 39.78 39.15 3gic n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 3gic s MET 180 N -1.96 1.00 0.28 3.52 -1.94 -0.84 -0.62 119.30 118.74 3gic s MET 180 Ca 0.29 -1.10 0.02 0.00 -1.71 0.00 0.00 55.69 53.19 3gic s MET 180 Cb 0.14 -1.12 -0.04 0.00 2.01 0.00 0.00 34.83 35.81 3gic s MET 180 CO 0.22 0.25 0.12 -0.59 -0.01 0.00 0.00 175.02 175.02 3gic s PHE 181 N -1.33 1.56 0.10 -0.03 -0.12 -0.34 -4.81 117.98 113.02 3gic s PHE 181 Ca 0.04 -1.27 0.10 0.00 -0.05 0.00 0.00 56.93 55.75 3gic s PHE 181 Cb -0.09 -0.88 -0.04 0.00 -0.63 0.00 0.00 43.02 41.38 3gic s PHE 181 CO 0.03 -0.42 -0.24 0.00 -0.05 0.00 0.00 175.22 174.54 3gic s ALA 183 N -1.01 -0.42 0.00 0.00 0.00 -0.90 -0.79 121.76 118.64 3gic s ALA 183 Ca 0.14 -0.18 0.00 0.00 0.00 0.00 0.00 51.96 51.92 3gic s ALA 183 Cb -0.10 0.25 0.00 0.00 0.00 0.00 0.00 23.12 23.27 3gic s ALA 183 CO 0.06 -0.34 0.00 0.41 0.00 0.00 0.00 175.76 175.89 3gic n GLY 184 N 0.81 3.60 3.88 0.00 0.00 0.04 -2.98 105.19 110.54 3gic n GLY 184 Ca -0.19 -1.58 -0.30 0.00 0.00 0.00 0.00 46.02 43.95 3gic n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gic s TYR 184 N -2.00 3.48 0.71 1.61 2.02 -1.26 -4.47 117.35 117.44 3gic s TYR 184 Ca 0.00 1.05 -0.15 0.00 -0.37 0.00 0.00 57.07 57.60 3gic s TYR 184 Cb 0.00 -2.45 0.03 0.00 -0.40 0.00 0.00 41.96 39.14 3gic s TYR 184 CO 0.00 -0.14 1.18 0.15 -1.57 0.00 0.00 175.55 175.17 3gic s LYS 185 N -3.93 2.31 0.25 -0.62 3.01 -1.26 -4.93 119.74 114.57 3gic s LYS 185 Ca 0.51 1.65 -0.04 0.00 -1.01 0.00 0.00 55.97 57.08 3gic s LYS 185 Cb -0.10 -1.87 0.48 0.00 -1.01 0.00 0.00 37.83 35.33 3gic s LYS 185 CO 0.32 -1.68 1.71 -1.00 0.51 0.00 0.00 175.35 175.21 3gic h PRO 186 N -0.23 0.37 0.00 -1.68 0.13 -1.94 -1.79 132.00 126.86 3gic h PRO 186 Ca -0.47 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3gic h PRO 186 Cb 1.28 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3gic h PRO 186 CO 0.51 0.24 0.00 -0.40 -0.23 0.00 0.00 178.00 178.12 3gic n ASP 186 N -5.06 0.00 -1.07 1.44 3.85 -1.26 -4.90 116.55 109.56 3gic n ASP 186 Ca 0.15 -0.13 0.00 0.00 -0.71 0.00 0.00 54.79 54.10 3gic n ASP 186 Cb 0.45 -0.18 0.00 0.00 -1.35 0.00 0.00 41.12 40.04 3gic n ASP 186 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.20 177.40 3gic n GLU 186 N -1.18 0.00 0.02 0.11 2.13 -0.67 -5.04 120.64 116.02 3gic n GLU 186 Ca 0.08 0.36 -0.03 0.00 0.66 0.00 0.00 57.16 58.22 3gic n GLU 186 Cb 0.09 -0.71 -0.02 0.00 0.27 0.00 0.00 31.44 31.07 3gic n GLU 186 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 3gic h GLY 186 N 0.00 -0.18 0.00 8.31 0.00 -1.91 -3.49 103.07 105.80 3gic h GLY 186 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.40 3gic h GLY 186 CO 0.00 -0.07 0.00 0.28 0.00 0.00 0.00 176.54 176.75 3gic n LYS 186 N -4.89 0.23 -0.34 4.80 5.02 -1.26 -5.10 118.16 116.62 3gic n LYS 186 Ca -0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 3gic n LYS 186 Cb 0.09 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.10 3gic n LYS 186 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 3gic n ARG 187 N 0.00 0.00 -2.14 1.97 3.00 -1.26 -4.83 116.66 113.39 3gic n ARG 187 Ca 0.00 -0.25 -0.34 0.00 -0.00 0.00 0.00 57.85 57.26 3gic n ARG 187 Cb 0.00 -0.15 0.01 0.00 0.00 0.00 0.00 32.46 32.32 3gic n ARG 187 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 3gic s GLY 188 N -0.20 2.34 0.02 5.14 0.00 -1.26 -4.63 107.32 108.73 3gic s GLY 188 Ca 0.00 0.58 -0.28 0.00 0.00 0.00 0.00 44.72 45.03 3gic s GLY 188 CO 0.00 0.92 0.79 -0.35 0.00 0.00 0.00 173.10 174.46 3gic s ASP 189 N -2.31 -0.46 0.40 1.64 -1.08 -0.75 -4.67 116.67 109.43 3gic s ASP 189 Ca 0.67 0.15 -0.22 0.00 -0.52 0.00 0.00 52.55 52.63 3gic s ASP 189 Cb -0.19 0.46 -0.11 0.00 -1.46 0.00 0.00 42.92 41.62 3gic s ASP 189 CO 0.32 -0.68 0.94 0.00 0.52 0.00 0.00 175.17 176.26 3gic s ALA 190 N -2.79 3.09 0.30 3.66 0.00 -1.26 -1.77 121.76 122.99 3gic s ALA 190 Ca 0.01 0.42 0.01 0.00 0.00 0.00 0.00 51.96 52.39 3gic s ALA 190 Cb -0.01 -3.15 0.01 0.00 0.00 0.00 0.00 23.12 19.97 3gic s ALA 190 CO -0.06 0.15 0.04 0.00 0.00 0.00 0.00 175.76 175.89 3gic h GLU 192 N 0.00 0.15 0.00 0.00 4.81 -1.09 -1.74 114.58 116.72 3gic h GLU 192 Ca -0.24 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.98 3gic h GLU 192 Cb 0.75 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.10 3gic h GLU 192 CO 0.40 0.10 0.00 0.78 -0.73 0.00 0.00 179.01 179.56 3gic h GLY 193 N 0.16 0.00 1.35 1.92 0.00 -1.87 -2.51 103.07 102.12 3gic h GLY 193 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.56 3gic h GLY 193 CO -0.35 0.00 -0.54 -0.55 0.00 0.00 0.00 176.54 175.09 3gic h ASP 194 N 0.00 0.00 -2.21 0.19 3.32 -1.66 -3.17 116.42 112.89 3gic h ASP 194 Ca 0.00 -0.10 -0.62 0.00 0.02 0.00 0.00 57.03 56.33 3gic h ASP 194 Cb 0.18 0.00 0.11 0.00 0.22 0.00 0.00 39.33 39.84 3gic h ASP 194 CO 0.00 0.05 0.02 -1.20 -1.72 0.00 0.00 179.24 176.39 3gic n SER 195 N -2.40 0.87 0.00 6.45 7.64 -0.95 -1.29 113.62 123.94 3gic n SER 195 Ca 0.03 1.17 0.00 0.00 1.01 0.00 0.00 58.87 61.08 3gic n SER 195 Cb 0.48 -1.23 0.00 0.00 -1.01 0.00 0.00 64.21 62.45 3gic n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3gic n GLY 196 N 1.36 3.19 3.80 0.23 0.00 0.21 -0.11 105.19 113.88 3gic n GLY 196 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 3gic n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gic s GLY 197 N -2.16 1.59 0.30 -0.02 0.00 -0.41 -3.29 107.32 103.33 3gic s GLY 197 Ca 0.00 -0.43 -0.18 0.00 0.00 0.00 0.00 44.72 44.11 3gic s GLY 197 CO 0.00 0.08 0.78 2.56 0.00 0.00 0.00 173.10 176.52 3gic s PRO 198 N -5.26 4.18 -0.34 2.90 0.04 -1.26 -0.97 135.00 134.28 3gic s PRO 198 Ca 0.63 0.87 -0.07 0.00 0.04 0.00 0.00 61.00 62.46 3gic s PRO 198 Cb -0.14 -2.59 0.03 0.00 0.04 0.00 0.00 34.50 31.84 3gic s PRO 198 CO 0.53 0.23 0.12 0.12 0.04 0.00 0.00 177.00 178.03 3gic s PHE 199 N -1.81 3.24 0.17 0.56 2.19 -0.33 -4.32 117.98 117.68 3gic s PHE 199 Ca 0.51 -1.31 0.08 0.00 0.33 0.00 0.00 56.93 56.54 3gic s PHE 199 Cb -0.13 -2.30 -0.04 0.00 -1.31 0.00 0.00 43.02 39.24 3gic s PHE 199 CO 0.19 -0.70 -0.05 0.14 1.83 0.00 0.00 175.22 176.62 3gic s VAL 200 N 1.43 3.44 0.03 3.12 -7.23 -0.13 -1.01 120.40 120.05 3gic s VAL 200 Ca -0.01 -1.54 0.02 0.00 -1.81 0.00 0.00 61.98 58.64 3gic s VAL 200 Cb -0.19 -2.71 -0.02 0.00 0.56 0.00 0.00 36.38 34.01 3gic s VAL 200 CO 0.03 -0.10 -0.06 -0.04 -0.31 0.00 0.00 175.10 174.62 3gic s MET 201 N -2.86 0.44 -0.23 4.82 -1.94 -0.04 -0.58 119.30 118.91 3gic s MET 201 Ca 0.26 -0.60 -0.09 0.00 -1.71 0.00 0.00 55.69 53.56 3gic s MET 201 Cb -0.09 -0.21 -0.04 0.00 2.01 0.00 0.00 34.83 36.49 3gic s MET 201 CO 0.17 0.04 0.11 0.21 -0.01 0.00 0.00 175.02 175.53 3gic s LYS 202 N -1.24 3.90 -0.13 2.03 2.20 -1.26 -0.77 119.74 124.46 3gic s LYS 202 Ca -0.09 -0.36 -0.29 0.00 -0.36 0.00 0.00 55.97 54.87 3gic s LYS 202 Cb -0.08 -3.39 -0.02 0.00 -1.51 0.00 0.00 37.83 32.83 3gic s LYS 202 CO 0.00 0.02 1.21 0.45 -0.36 0.00 0.00 175.35 176.68 3gic s SER 203 N 1.10 7.00 0.38 1.43 0.15 0.25 -4.89 113.70 119.13 3gic s SER 203 Ca 0.05 1.71 0.28 0.00 0.70 0.00 0.00 55.95 58.69 3gic s SER 203 Cb -0.14 -2.55 1.15 0.00 -1.71 0.00 0.00 66.02 62.77 3gic s SER 203 CO 0.04 -0.68 1.83 1.55 1.20 0.00 0.00 173.24 177.18 3gic h PRO 204 N 7.84 0.00 -0.22 5.44 0.13 -1.96 0.02 132.00 143.24 3gic h PRO 204 Ca -0.29 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.69 3gic h PRO 204 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 3gic h PRO 204 CO 0.93 0.00 -0.46 0.35 -0.23 0.00 0.00 178.00 178.59 3gic h PHE 204 N 0.00 0.90 0.00 1.56 3.04 -1.97 -3.38 116.94 117.10 3gic h PHE 204 Ca 0.00 -0.33 0.00 0.00 3.98 0.00 0.00 57.97 61.62 3gic h PHE 204 Cb 0.42 -0.17 0.00 0.00 2.56 0.00 0.00 35.95 38.77 3gic h PHE 204 CO 0.00 1.12 0.00 0.27 -2.02 0.00 0.00 178.31 177.68 3gic n ASN 204 N -4.16 1.04 -0.08 0.41 2.04 -1.21 -5.02 115.26 108.27 3gic n ASN 204 Ca -0.05 -1.42 -0.01 0.00 -0.44 0.00 0.00 54.58 52.65 3gic n ASN 204 Cb 0.58 0.00 -0.00 0.00 -2.53 0.00 0.00 39.78 37.82 3gic n ASN 204 CO 0.00 0.00 0.00 -3.20 -0.44 0.00 0.00 177.26 173.62 3gic n ASN 205 N -0.21 -4.05 -4.86 0.53 5.15 -0.01 -5.00 115.26 106.81 3gic n ASN 205 Ca 0.00 0.03 -0.31 0.00 -0.60 0.00 0.00 54.58 53.69 3gic n ASN 205 Cb 0.27 -1.64 -0.05 0.00 -0.53 0.00 0.00 39.78 37.83 3gic n ASN 205 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 3gic s ARG 206 N -0.98 3.23 -0.08 1.20 0.52 -1.24 -4.84 118.95 116.76 3gic s ARG 206 Ca 0.00 -0.51 -0.20 0.00 -0.52 0.00 0.00 55.73 54.50 3gic s ARG 206 Cb 0.00 -2.93 -0.04 0.00 0.52 0.00 0.00 34.95 32.50 3gic s ARG 206 CO 0.00 0.60 0.56 -1.58 0.02 0.00 0.00 175.30 174.91 3gic s TRP 207 N -1.43 3.57 -0.03 -0.53 0.52 -1.26 -0.58 118.94 119.19 3gic s TRP 207 Ca 0.32 1.06 0.07 0.00 0.02 0.00 0.00 56.10 57.56 3gic s TRP 207 Cb -0.13 -2.63 -0.02 0.00 -1.15 0.00 0.00 33.47 29.55 3gic s TRP 207 CO 0.24 0.20 -0.25 0.71 0.02 0.00 0.00 176.95 177.87 3gic s TYR 208 N 0.46 2.29 -0.60 -1.98 2.02 0.05 -2.25 117.35 117.33 3gic s TYR 208 Ca 0.30 -0.54 -0.24 0.00 -0.37 0.00 0.00 57.07 56.22 3gic s TYR 208 Cb -0.17 -1.49 0.05 0.00 -0.40 0.00 0.00 41.96 39.95 3gic s TYR 208 CO 0.14 -0.11 1.00 -1.14 -1.57 0.00 0.00 175.55 173.87 3gic s GLN 209 N -0.40 3.26 0.06 -0.62 0.74 0.33 -0.86 119.66 122.17 3gic s GLN 209 Ca 0.04 -0.39 0.15 0.00 0.05 0.00 0.00 55.36 55.21 3gic s GLN 209 Cb -0.11 -4.11 -0.14 0.00 1.10 0.00 0.00 33.01 29.74 3gic s GLN 209 CO 0.01 -1.66 0.86 0.52 -0.55 0.00 0.00 175.29 174.47 3gic h MET 210 N 9.47 0.00 -4.31 1.67 2.86 -1.40 -3.38 114.93 119.84 3gic h MET 210 Ca -0.27 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.23 3gic h MET 210 Cb 1.07 0.00 -0.15 0.00 0.06 0.00 0.00 31.60 32.58 3gic h MET 210 CO 1.14 0.38 -0.68 0.20 1.06 0.00 0.00 176.91 179.01 3gic s GLY 211 N -4.83 0.52 -0.11 8.32 0.00 -0.83 -1.65 107.32 108.74 3gic s GLY 211 Ca -0.03 -1.23 0.02 0.00 0.00 0.00 0.00 44.72 43.48 3gic s GLY 211 CO 0.81 -1.34 -0.19 -0.42 0.00 0.00 0.00 173.10 171.96 3gic s ILE 212 N -3.86 2.53 0.06 0.90 1.01 -0.84 -1.19 121.20 119.81 3gic s ILE 212 Ca 0.08 -0.85 -0.30 0.00 0.00 0.00 0.00 60.65 59.57 3gic s ILE 212 Cb 0.07 -2.02 -0.09 0.00 0.01 0.00 0.00 42.46 40.43 3gic s ILE 212 CO -0.09 0.54 1.95 0.52 0.00 0.00 0.00 174.94 177.86 3gic n VAL 213 N 3.52 0.69 -0.54 2.92 0.31 -0.15 -0.69 118.33 124.39 3gic n VAL 213 Ca -0.19 -0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.02 3gic n VAL 213 Cb 0.53 -2.28 0.00 0.00 -0.91 0.00 0.00 33.84 31.18 3gic n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 3gic n SER 214 N 7.13 0.00 -4.75 4.52 2.88 -0.41 -0.62 113.62 122.37 3gic n SER 214 Ca 0.20 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.32 3gic n SER 214 Cb 0.40 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.84 3gic n SER 214 CO 0.00 0.00 0.00 0.86 -1.23 0.00 0.00 175.04 174.67 3gic s TRP 215 N 3.41 2.89 -0.04 0.66 -0.11 -1.26 -4.62 118.94 119.87 3gic s TRP 215 Ca 0.00 0.93 -0.12 0.00 1.22 0.00 0.00 56.10 58.13 3gic s TRP 215 Cb 0.00 -3.93 0.02 0.00 -1.50 0.00 0.00 33.47 28.06 3gic s TRP 215 CO 0.00 -3.06 0.28 0.20 -4.62 0.00 0.00 176.95 169.74 3gic s GLY 216 N 0.39 -0.14 -0.20 5.86 0.00 -1.26 -4.59 107.32 107.37 3gic s GLY 216 Ca 0.61 0.39 -0.00 0.00 0.00 0.00 0.00 44.72 45.71 3gic s GLY 216 CO 0.46 0.21 -0.14 -0.54 0.00 0.00 0.00 173.10 173.09 3gic s GLU 217 N -0.95 2.97 5.56 2.90 2.02 -1.26 -4.29 118.70 125.64 3gic s GLU 217 Ca -0.10 -0.86 0.00 0.00 0.02 0.00 0.00 54.97 54.03 3gic s GLU 217 Cb -0.05 -2.74 0.00 0.00 0.10 0.00 0.00 34.13 31.44 3gic s GLU 217 CO 0.03 -0.27 0.00 0.41 0.02 0.00 0.00 175.26 175.45 3gic n GLY 219 N 4.64 3.02 2.57 -1.39 0.00 -1.26 -2.82 105.19 109.95 3gic n GLY 219 Ca -0.19 -0.21 -0.17 0.00 0.00 0.00 0.00 46.02 45.45 3gic n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gic s ASP 221 N -3.35 4.91 -0.05 0.00 1.01 -1.13 -4.84 116.67 113.23 3gic s ASP 221 Ca 0.37 -1.04 0.08 0.00 0.71 0.00 0.00 52.55 52.67 3gic s ASP 221 Cb 0.43 -1.77 -0.12 0.00 1.01 0.00 0.00 42.92 42.46 3gic s ASP 221 CO -0.06 -0.23 0.10 0.54 0.21 0.00 0.00 175.17 175.73 3gic n ARG 221 N 4.73 1.66 -0.65 8.23 1.74 -1.26 -4.56 116.66 126.54 3gic n ARG 221 Ca -0.14 -0.04 0.00 0.00 -0.77 0.00 0.00 57.85 56.90 3gic n ARG 221 Cb 0.45 -1.22 0.00 0.00 -1.02 0.00 0.00 32.46 30.68 3gic n ARG 221 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3gic n ASP 222 N -2.11 -1.38 0.00 0.55 3.85 -1.26 -2.54 116.55 113.66 3gic n ASP 222 Ca -0.09 0.22 0.00 0.00 -0.71 0.00 0.00 54.79 54.22 3gic n ASP 222 Cb 0.55 -0.35 0.00 0.00 -1.35 0.00 0.00 41.12 39.97 3gic n ASP 222 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3gic n GLY 223 N 1.41 2.70 3.93 6.12 0.00 -1.26 -5.01 105.19 113.09 3gic n GLY 223 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 3gic n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gic s LYS 224 N -0.00 2.53 0.12 1.61 1.02 -1.05 -4.91 119.74 119.05 3gic s LYS 224 Ca 0.00 -1.56 0.09 0.00 0.02 0.00 0.00 55.97 54.53 3gic s LYS 224 Cb 0.00 -2.46 -0.04 0.00 -0.52 0.00 0.00 37.83 34.82 3gic s LYS 224 CO 0.00 -0.36 -0.23 0.71 -0.92 0.00 0.00 175.35 174.56 3gic s TYR 225 N -2.51 1.98 0.43 3.18 2.02 -1.26 -4.88 117.35 116.31 3gic s TYR 225 Ca 0.50 -0.41 -0.24 0.00 -0.37 0.00 0.00 57.07 56.55 3gic s TYR 225 Cb -0.05 -1.06 -0.08 0.00 -0.40 0.00 0.00 41.96 40.37 3gic s TYR 225 CO 0.30 0.28 1.16 0.20 -1.57 0.00 0.00 175.55 175.91 3gic s GLY 226 N -2.09 2.80 0.09 0.71 0.00 -1.16 -4.89 107.32 102.78 3gic s GLY 226 Ca 0.11 0.93 0.03 0.00 0.00 0.00 0.00 44.72 45.78 3gic s GLY 226 CO 0.05 1.40 0.13 -1.36 0.00 0.00 0.00 173.10 173.33 3gic s PHE 227 N -1.51 3.28 -0.02 1.90 0.40 -1.26 -2.11 117.98 118.67 3gic s PHE 227 Ca 0.61 0.11 0.01 0.00 -0.60 0.00 0.00 56.93 57.06 3gic s PHE 227 Cb -0.29 -1.64 0.01 0.00 0.51 0.00 0.00 43.02 41.61 3gic s PHE 227 CO 0.36 0.54 -0.05 0.71 0.70 0.00 0.00 175.22 177.48 3gic s TYR 228 N -1.49 0.54 0.10 0.36 1.51 0.95 -1.29 117.35 118.02 3gic s TYR 228 Ca 0.31 -0.11 -0.31 0.00 -1.01 0.00 0.00 57.07 55.96 3gic s TYR 228 Cb -0.12 -0.41 -0.07 0.00 -0.11 0.00 0.00 41.96 41.25 3gic s TYR 228 CO 0.24 -0.06 1.30 0.99 -1.11 0.00 0.00 175.55 176.90 3gic s THR 229 N 0.24 3.62 -0.77 -0.71 2.01 0.14 -1.20 115.64 118.97 3gic s THR 229 Ca -0.03 1.17 -0.26 0.00 0.31 0.00 0.00 61.69 62.89 3gic s THR 229 Cb -0.06 -3.75 0.02 0.00 0.01 0.00 0.00 72.50 68.72 3gic s THR 229 CO -0.00 0.10 1.42 -2.28 -0.69 0.00 0.00 174.62 173.16 3gic s HIS 230 N 1.01 2.21 0.17 4.92 2.46 0.21 -1.98 115.29 124.29 3gic s HIS 230 Ca 0.61 -0.03 -0.13 0.00 0.47 0.00 0.00 55.06 55.99 3gic s HIS 230 Cb -0.34 -4.54 0.07 0.00 -0.13 0.00 0.00 32.58 27.65 3gic s HIS 230 CO 0.30 -2.08 1.78 0.28 -2.47 0.00 0.00 174.74 172.55 3gic h VAL 231 N 6.32 1.19 -0.59 0.89 2.07 -1.60 -2.73 116.25 121.79 3gic h VAL 231 Ca -0.19 -0.50 0.07 0.00 0.82 0.00 0.00 66.70 66.91 3gic h VAL 231 Cb 1.06 0.48 -0.06 0.00 -1.52 0.00 0.00 31.29 31.25 3gic h VAL 231 CO 1.29 0.21 0.28 0.15 0.02 0.00 0.00 177.57 179.52 3gic h PHE 232 N 0.77 0.50 0.00 1.57 3.57 -1.85 -1.24 116.94 120.27 3gic h PHE 232 Ca 0.20 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.71 3gic h PHE 232 Cb 0.06 -0.14 -0.00 0.00 2.79 0.00 0.00 35.95 38.66 3gic h PHE 232 CO -0.01 0.20 -0.06 0.00 -2.23 0.00 0.00 178.31 176.21 3gic h ARG 233 N 0.51 0.00 -0.74 1.11 3.08 -1.88 -1.93 114.38 114.54 3gic h ARG 233 Ca 0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.33 3gic h ARG 233 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.30 3gic h ARG 233 CO -0.22 0.06 0.00 1.28 -1.07 0.00 0.00 179.97 180.02 3gic n LEU 234 N -3.79 4.12 0.14 3.04 4.32 -0.56 -4.64 117.00 119.63 3gic n LEU 234 Ca -0.02 -2.07 -0.00 0.00 -0.02 0.00 0.00 56.01 53.90 3gic n LEU 234 Cb 0.16 -0.51 0.26 0.00 -1.62 0.00 0.00 43.42 41.71 3gic n LEU 234 CO 0.29 0.97 0.63 0.50 -1.22 0.00 0.00 177.39 178.57 3gic h LYS 235 N 4.33 0.10 -0.12 3.23 3.64 -0.47 -2.26 116.57 125.03 3gic h LYS 235 Ca 0.00 -0.05 -0.13 0.00 -1.27 0.00 0.00 60.65 59.20 3gic h LYS 235 Cb 1.07 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.88 3gic h LYS 235 CO 0.04 0.53 -0.51 0.87 -2.27 0.00 0.00 179.45 178.11 3gic h LYS 236 N 0.08 0.32 -0.13 1.90 1.79 -1.82 -0.90 116.57 117.81 3gic h LYS 236 Ca 0.00 -0.19 -0.01 0.00 -2.18 0.00 0.00 60.65 58.28 3gic h LYS 236 Cb 0.83 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.49 3gic h LYS 236 CO 0.06 0.76 0.05 2.35 -1.08 0.00 0.00 179.45 181.59 3gic h TRP 237 N 0.25 0.20 -0.42 -1.35 7.01 -1.81 0.24 115.95 120.07 3gic h TRP 237 Ca 0.01 -0.02 0.07 0.00 2.11 0.00 0.00 58.89 61.07 3gic h TRP 237 Cb 0.99 -0.06 -0.06 0.00 -2.10 0.00 0.00 29.16 27.92 3gic h TRP 237 CO 0.02 0.30 0.04 0.82 -2.79 0.00 0.00 178.44 176.83 3gic h ILE 238 N 0.05 0.72 -0.55 2.65 2.04 -1.17 -1.82 117.51 119.43 3gic h ILE 238 Ca 0.04 -0.05 -0.08 0.00 1.00 0.00 0.00 64.86 65.77 3gic h ILE 238 Cb 0.19 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 36.80 3gic h ILE 238 CO -0.00 0.03 0.03 1.56 0.00 0.00 0.00 178.15 179.76 3gic h GLN 239 N 0.15 0.92 0.14 2.37 4.20 -1.07 -1.86 115.11 119.97 3gic h GLN 239 Ca 0.21 -0.25 0.01 0.00 0.06 0.00 0.00 58.65 58.67 3gic h GLN 239 Cb 0.28 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.94 3gic h GLN 239 CO -0.31 0.90 -0.18 -0.22 -0.67 0.00 0.00 178.83 178.34 3gic h LYS 240 N 0.86 -0.36 -0.15 1.46 3.64 -0.47 0.62 116.57 122.17 3gic h LYS 240 Ca 0.16 0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.57 3gic h LYS 240 Cb 0.47 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.36 3gic h LYS 240 CO 0.02 -0.24 0.09 0.28 -2.27 0.00 0.00 179.45 177.33 3gic h VAL 241 N -0.37 1.02 -0.34 2.00 2.07 -1.18 -1.71 116.25 117.73 3gic h VAL 241 Ca 0.01 -0.06 -0.03 0.00 0.82 0.00 0.00 66.70 67.44 3gic h VAL 241 Cb 0.37 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 3gic h VAL 241 CO -0.08 0.03 0.10 0.40 0.02 0.00 0.00 177.57 178.05 3gic h ILE 242 N 0.18 1.21 -0.12 4.57 2.04 -1.24 -0.64 117.51 123.51 3gic h ILE 242 Ca 0.06 -0.68 -0.06 0.00 1.00 0.00 0.00 64.86 65.18 3gic h ILE 242 Cb -0.01 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 3gic h ILE 242 CO -0.03 0.23 -0.19 0.44 0.00 0.00 0.00 178.15 178.60 3gic h ASP 243 N 0.39 0.19 0.51 1.72 3.32 -0.73 -3.00 116.42 118.82 3gic h ASP 243 Ca 0.11 -0.04 -0.30 0.00 0.02 0.00 0.00 57.03 56.82 3gic h ASP 243 Cb 0.26 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 3gic h ASP 243 CO -0.00 0.40 -1.46 -0.61 -1.72 0.00 0.00 179.24 175.85 3gic h GLN 244 N 0.18 0.24 -0.01 3.56 4.15 -1.21 -3.51 115.11 118.51 3gic h GLN 244 Ca 0.03 -0.41 0.00 0.00 0.77 0.00 0.00 58.65 59.05 3gic h GLN 244 Cb 0.45 0.15 0.00 0.00 0.21 0.00 0.00 27.48 28.29 3gic h GLN 244 CO 0.03 1.11 0.00 1.19 -1.93 0.00 0.00 178.83 179.23