#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ci0 h HIS 32 N 0.00 0.77 0.25 3.69 2.07 -2.05 0.25 115.15 120.12 3ci0 h HIS 32 Ca 0.00 0.02 -0.33 0.00 -2.85 0.00 0.00 60.37 57.21 3ci0 h HIS 32 Cb 0.00 -0.25 0.04 0.00 2.57 0.00 0.00 27.41 29.77 3ci0 h HIS 32 CO 0.00 0.38 -1.46 -0.24 -3.07 0.00 0.00 177.93 173.54 3ci0 h VAL 33 N 0.73 1.30 -0.69 6.12 3.04 -2.05 -0.75 116.25 123.96 3ci0 h VAL 33 Ca 0.34 -2.74 0.03 0.00 -1.01 0.00 0.00 66.70 63.33 3ci0 h VAL 33 Cb 0.38 3.04 -0.04 0.00 -2.01 0.00 0.00 31.29 32.65 3ci0 h VAL 33 CO -0.13 0.82 0.43 -0.07 -1.01 0.00 0.00 177.57 177.61 3ci0 h LEU 34 N 0.14 0.70 -0.55 3.16 3.38 -1.94 0.38 115.31 120.58 3ci0 h LEU 34 Ca -0.25 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.62 3ci0 h LEU 34 Cb 2.16 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 42.74 3ci0 h LEU 34 CO 0.27 0.48 -0.05 -0.33 0.09 0.00 0.00 178.44 178.90 3ci0 h GLU 35 N 0.84 1.01 -0.29 1.13 5.08 -0.47 -0.84 114.58 121.04 3ci0 h GLU 35 Ca 0.28 -0.35 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3ci0 h GLU 35 Cb 0.02 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 3ci0 h GLU 35 CO -0.11 1.03 0.18 1.49 -1.00 0.00 0.00 179.01 180.60 3ci0 h GLU 36 N 0.89 0.38 -0.57 2.33 4.81 -0.78 -1.04 114.58 120.61 3ci0 h GLU 36 Ca 0.15 -0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.25 3ci0 h GLU 36 Cb 0.61 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.89 3ci0 h GLU 36 CO 0.04 0.28 -0.05 0.87 -0.73 0.00 0.00 179.01 179.42 3ci0 h LYS 37 N 0.37 1.03 0.10 1.92 1.57 -0.85 -0.19 116.57 120.51 3ci0 h LYS 37 Ca 0.10 -0.35 0.01 0.00 -1.87 0.00 0.00 60.65 58.55 3ci0 h LYS 37 Cb -0.01 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 3ci0 h LYS 37 CO -0.02 1.04 -0.16 1.15 -0.57 0.00 0.00 179.45 180.88 3ci0 h THR 38 N 0.93 0.63 -0.38 -0.16 2.02 -1.02 0.74 112.91 115.66 3ci0 h THR 38 Ca 0.16 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.26 3ci0 h THR 38 Cb 0.61 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 67.63 3ci0 h THR 38 CO 0.04 0.00 -0.07 0.58 0.37 0.00 0.00 175.52 176.43 3ci0 h VAL 39 N -0.32 1.27 -0.78 3.16 2.07 -1.11 -2.21 116.25 118.32 3ci0 h VAL 39 Ca 0.02 -1.14 0.02 0.00 0.82 0.00 0.00 66.70 66.42 3ci0 h VAL 39 Cb 0.33 1.23 -0.04 0.00 -1.52 0.00 0.00 31.29 31.29 3ci0 h VAL 39 CO -0.08 0.38 0.52 0.00 0.02 0.00 0.00 177.57 178.40 3ci0 h ALA 40 N 0.84 1.48 -0.83 1.67 0.00 -0.95 -1.72 119.26 119.76 3ci0 h ALA 40 Ca 0.10 -0.05 0.11 0.00 0.00 0.00 0.00 54.91 55.07 3ci0 h ALA 40 Cb 0.58 -0.30 -0.06 0.00 0.00 0.00 0.00 17.79 18.02 3ci0 h ALA 40 CO 0.03 0.46 0.54 0.78 0.00 0.00 0.00 179.25 181.06 3ci0 h GLY 41 N 1.01 1.11 0.95 0.00 0.00 0.80 -1.70 103.07 105.24 3ci0 h GLY 41 Ca 0.30 -0.30 -0.05 0.00 0.00 0.00 0.00 47.33 47.27 3ci0 h GLY 41 CO -0.08 0.15 0.06 1.49 0.00 0.00 0.00 176.54 178.16 3ci0 h TRP 42 N 0.73 0.76 -0.56 5.60 6.55 -0.70 -1.67 115.95 126.66 3ci0 h TRP 42 Ca 0.40 -0.11 0.03 0.00 0.95 0.00 0.00 58.89 60.15 3ci0 h TRP 42 Cb 0.53 -0.21 -0.04 0.00 -0.86 0.00 0.00 29.16 28.59 3ci0 h TRP 42 CO -0.00 0.74 0.34 0.28 -1.05 0.00 0.00 178.44 178.74 3ci0 h VAL 43 N 0.56 1.06 -0.42 1.49 2.07 -1.31 0.75 116.25 120.45 3ci0 h VAL 43 Ca 0.13 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.40 3ci0 h VAL 43 Cb 0.39 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 3ci0 h VAL 43 CO 0.01 0.12 0.19 0.00 0.02 0.00 0.00 177.57 177.91 3ci0 h ALA 44 N 1.25 0.54 -0.43 1.67 0.00 -1.15 -0.51 119.26 120.63 3ci0 h ALA 44 Ca 0.22 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3ci0 h ALA 44 Cb 0.02 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3ci0 h ALA 44 CO -0.10 0.11 0.24 0.93 0.00 0.00 0.00 179.25 180.44 3ci0 h GLU 45 N 0.53 0.59 -0.77 0.00 4.39 -1.09 -0.88 114.58 117.35 3ci0 h GLU 45 Ca 0.14 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.77 3ci0 h GLU 45 Cb 0.14 -0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 28.63 3ci0 h GLU 45 CO -0.02 0.46 0.43 -0.91 -1.16 0.00 0.00 179.01 177.81 3ci0 h ASN 46 N 0.56 0.96 1.60 1.42 2.35 -0.38 -1.78 115.58 120.30 3ci0 h ASN 46 Ca 0.15 -0.09 -0.06 0.00 -0.55 0.00 0.00 56.30 55.75 3ci0 h ASN 46 Cb 0.03 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.15 3ci0 h ASN 46 CO -0.03 0.77 -0.28 1.56 -1.65 0.00 0.00 177.43 177.81 3ci0 h GLN 47 N 1.07 0.00 -0.11 0.81 1.08 -0.91 -2.45 115.11 114.60 3ci0 h GLN 47 Ca 0.27 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.41 3ci0 h GLN 47 Cb 0.02 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.45 3ci0 h GLN 47 CO -0.04 0.28 -0.17 1.15 -0.95 0.00 0.00 178.83 179.10 3ci0 h THR 48 N 0.00 1.38 -0.42 -0.54 2.02 -0.90 -2.58 112.91 111.88 3ci0 h THR 48 Ca -0.00 -1.41 0.08 0.00 0.77 0.00 0.00 66.41 65.85 3ci0 h THR 48 Cb 1.15 2.06 -0.08 0.00 -1.74 0.00 0.00 68.15 69.54 3ci0 h THR 48 CO 0.04 0.41 -0.10 0.00 0.37 0.00 0.00 175.52 176.23 3ci0 h ALA 49 N 0.54 0.28 -0.11 6.16 0.00 -1.26 -2.07 119.26 122.80 3ci0 h ALA 49 Ca 0.01 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3ci0 h ALA 49 Cb 0.73 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 3ci0 h ALA 49 CO 0.04 -0.45 0.00 -0.07 0.00 0.00 0.00 179.25 178.77 3ci0 h LEU 50 N 0.00 0.14 -1.47 0.00 3.38 -1.39 -1.14 115.31 114.83 3ci0 h LEU 50 Ca 0.20 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 3ci0 h LEU 50 Cb 0.31 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 3ci0 h LEU 50 CO -0.43 0.17 0.20 -0.07 0.09 0.00 0.00 178.44 178.40 3ci0 h LEU 51 N 0.16 0.49 -0.38 1.67 3.38 -0.96 -1.67 115.31 118.00 3ci0 h LEU 51 Ca 0.04 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ci0 h LEU 51 Cb 0.11 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.74 3ci0 h LEU 51 CO 0.00 0.42 0.00 -1.22 0.09 0.00 0.00 178.44 177.73 3ci0 n TYR 52 N -4.41 0.73 -0.75 1.13 4.02 -0.44 -4.73 117.16 112.71 3ci0 n TYR 52 Ca 0.03 0.26 -0.18 0.00 -0.01 0.00 0.00 57.90 58.00 3ci0 n TYR 52 Cb 0.11 -0.92 0.06 0.00 -0.02 0.00 0.00 39.34 38.58 3ci0 n TYR 52 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 3ci0 n LEU 53 N -2.14 6.20 -4.79 7.72 4.77 -0.63 -5.14 117.00 122.98 3ci0 n LEU 53 Ca 0.04 -3.22 -0.24 0.00 -0.03 0.00 0.00 56.01 52.55 3ci0 n LEU 53 Cb 0.29 -0.94 -0.06 0.00 -2.33 0.00 0.00 43.42 40.39 3ci0 n LEU 53 CO 0.23 1.13 -0.09 0.42 -1.33 0.00 0.00 177.39 177.74 3ci0 s THR 55 N -2.44 2.36 0.16 -5.08 -4.23 -1.26 -5.13 115.64 100.02 3ci0 s THR 55 Ca 0.35 -1.57 -0.15 0.00 -1.18 0.00 0.00 61.69 59.14 3ci0 s THR 55 Cb 0.28 -2.93 0.03 0.00 1.34 0.00 0.00 72.50 71.22 3ci0 s THR 55 CO 0.01 0.00 1.77 0.03 -0.54 0.00 0.00 174.62 175.90 3ci0 h ARG 56 N 1.25 0.66 -0.26 3.99 3.08 -1.95 -2.51 114.38 118.64 3ci0 h ARG 56 Ca -0.42 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 59.52 3ci0 h ARG 56 Cb 1.26 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 31.17 3ci0 h ARG 56 CO 0.65 0.50 -0.02 0.78 -1.07 0.00 0.00 179.97 180.82 3ci0 h GLY 57 N 0.63 0.42 1.42 0.04 0.00 -1.99 -1.83 103.07 101.76 3ci0 h GLY 57 Ca 0.17 -0.23 -0.19 0.00 0.00 0.00 0.00 47.33 47.07 3ci0 h GLY 57 CO -0.03 0.22 -0.70 1.46 0.00 0.00 0.00 176.54 177.49 3ci0 h GLN 58 N 0.38 0.58 0.00 4.80 4.20 -1.89 -2.98 115.11 120.19 3ci0 h GLN 58 Ca 0.08 -0.45 -0.06 0.00 0.06 0.00 0.00 58.65 58.28 3ci0 h GLN 58 Cb 0.28 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.14 3ci0 h GLN 58 CO 0.01 1.07 -0.30 0.00 -0.67 0.00 0.00 178.83 178.93 3ci0 h ARG 59 N 0.41 0.00 0.00 1.46 3.08 -1.17 -2.97 114.38 115.19 3ci0 h ARG 59 Ca -0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.02 3ci0 h ARG 59 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.34 3ci0 h ARG 59 CO 0.13 0.30 0.00 0.00 -1.07 0.00 0.00 179.97 179.34 3ci0 n ALA 60 N -2.38 1.69 -2.40 0.04 0.00 -0.71 -4.55 120.51 112.20 3ci0 n ALA 60 Ca -0.01 0.06 -0.30 0.00 0.00 0.00 0.00 53.44 53.19 3ci0 n ALA 60 Cb 0.39 -1.37 -0.13 0.00 0.00 0.00 0.00 19.45 18.33 3ci0 n ALA 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3ci0 s VAL 61 N -3.26 2.39 0.30 0.00 0.11 -1.12 -4.77 120.40 114.04 3ci0 s VAL 61 Ca 0.05 -1.44 -0.30 0.00 -2.93 0.00 0.00 61.98 57.36 3ci0 s VAL 61 Cb 0.09 -2.00 -0.11 0.00 -1.53 0.00 0.00 36.38 32.83 3ci0 s VAL 61 CO 0.38 0.27 1.56 -0.60 -3.33 0.00 0.00 175.10 173.38 3ci0 s ARG 62 N -1.57 4.14 0.18 1.54 3.52 -1.26 -4.84 118.95 120.66 3ci0 s ARG 62 Ca 0.14 2.53 0.10 0.00 -0.13 0.00 0.00 55.73 58.37 3ci0 s ARG 62 Cb -0.10 -3.03 -0.04 0.00 -1.56 0.00 0.00 34.95 30.22 3ci0 s ARG 62 CO 0.05 -0.58 -0.21 -0.65 -0.81 0.00 0.00 175.30 173.09 3ci0 s GLN 63 N -0.69 1.39 0.06 5.12 -1.52 -0.91 -4.97 119.66 118.14 3ci0 s GLN 63 Ca 0.61 -1.47 -0.24 0.00 -1.95 0.00 0.00 55.36 52.31 3ci0 s GLN 63 Cb -0.47 -1.56 0.06 0.00 -0.22 0.00 0.00 33.01 30.83 3ci0 s GLN 63 CO 0.49 0.32 0.58 1.14 -0.25 0.00 0.00 175.29 177.57 3ci0 s GLN 64 N -2.76 1.11 0.00 2.91 -2.07 -1.26 -0.44 119.66 117.14 3ci0 s GLN 64 Ca 0.18 -0.20 0.00 0.00 -1.82 0.00 0.00 55.36 53.53 3ci0 s GLN 64 Cb -0.07 0.51 0.00 0.00 -1.09 0.00 0.00 33.01 32.37 3ci0 s GLN 64 CO 0.08 -0.42 0.00 0.41 -1.32 0.00 0.00 175.29 174.04 3ci0 n GLY 65 N 0.28 2.21 2.84 2.60 0.00 -0.07 -4.98 105.19 108.07 3ci0 n GLY 65 Ca -0.18 -0.53 -0.14 0.00 0.00 0.00 0.00 46.02 45.17 3ci0 n GLY 65 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ci0 s GLU 66 N 1.49 0.08 -0.06 1.61 -6.30 -1.26 -1.46 118.70 112.81 3ci0 s GLU 66 Ca 0.00 0.05 0.00 0.00 -2.50 0.00 0.00 54.97 52.52 3ci0 s GLU 66 Cb 0.00 -0.20 0.02 0.00 0.00 0.00 0.00 34.13 33.96 3ci0 s GLU 66 CO 0.00 -0.06 -0.04 0.45 0.02 0.00 0.00 175.26 175.63 3ci0 s SER 67 N 0.47 1.33 0.37 -1.70 0.15 0.40 -4.99 113.70 109.73 3ci0 s SER 67 Ca -0.04 -0.14 -0.04 0.00 0.70 0.00 0.00 55.95 56.42 3ci0 s SER 67 Cb -0.06 -0.51 -0.04 0.00 -1.71 0.00 0.00 66.02 63.69 3ci0 s SER 67 CO -0.01 -0.10 0.64 -1.81 1.20 0.00 0.00 173.24 173.16 3ci0 s ASP 68 N 1.31 6.37 0.00 5.45 1.01 -1.26 -0.96 116.67 128.59 3ci0 s ASP 68 Ca -0.05 0.77 0.00 0.00 0.71 0.00 0.00 52.55 53.98 3ci0 s ASP 68 Cb -0.14 -2.17 0.00 0.00 1.01 0.00 0.00 42.92 41.62 3ci0 s ASP 68 CO -0.02 -0.35 0.00 0.00 0.21 0.00 0.00 175.17 175.01 3ci0 n ALA 70 N -1.53 0.00 -1.05 5.23 0.00 -1.26 -4.92 120.51 116.98 3ci0 n ALA 70 Ca -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.41 3ci0 n ALA 70 Cb 0.55 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.99 3ci0 n ALA 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ci0 n GLY 71 N 0.00 0.42 3.33 0.00 0.00 -1.26 -5.02 105.19 102.66 3ci0 n GLY 71 Ca 0.00 -0.10 -0.17 0.00 0.00 0.00 0.00 46.02 45.74 3ci0 n GLY 71 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ci0 s SER 72 N -2.15 2.17 -0.19 1.61 0.01 -1.26 -5.14 113.70 108.74 3ci0 s SER 72 Ca 0.00 -1.12 -0.06 0.00 1.31 0.00 0.00 55.95 56.08 3ci0 s SER 72 Cb 0.00 -0.06 -0.03 0.00 0.21 0.00 0.00 66.02 66.13 3ci0 s SER 72 CO 0.00 -0.36 0.03 -0.60 0.41 0.00 0.00 173.24 172.72 3ci0 s ARG 73 N -3.76 3.79 -0.11 12.44 3.52 -1.26 -4.39 118.95 129.17 3ci0 s ARG 73 Ca 0.24 -0.44 0.03 0.00 -0.13 0.00 0.00 55.73 55.44 3ci0 s ARG 73 Cb 0.03 -3.16 -0.00 0.00 -1.56 0.00 0.00 34.95 30.26 3ci0 s ARG 73 CO 0.07 0.12 -0.22 -1.58 -0.81 0.00 0.00 175.30 172.89 3ci0 s TRP 74 N 0.75 2.63 -0.09 5.12 0.52 -0.14 -4.73 118.94 123.00 3ci0 s TRP 74 Ca 0.02 -1.03 -0.11 0.00 0.02 0.00 0.00 56.10 54.99 3ci0 s TRP 74 Cb -0.14 -1.76 -0.05 0.00 -1.15 0.00 0.00 33.47 30.38 3ci0 s TRP 74 CO 0.02 -0.42 0.26 0.71 0.02 0.00 0.00 176.95 177.54 3ci0 s TYR 75 N 0.44 3.61 0.12 -1.98 2.02 -0.12 -0.45 117.35 120.99 3ci0 s TYR 75 Ca -0.15 0.69 0.06 0.00 -0.37 0.00 0.00 57.07 57.30 3ci0 s TYR 75 Cb -0.17 -2.15 -0.04 0.00 -0.40 0.00 0.00 41.96 39.20 3ci0 s TYR 75 CO 0.06 0.58 -0.14 1.67 -1.57 0.00 0.00 175.55 176.16 3ci0 s TRP 76 N -0.67 1.40 -0.03 2.71 1.48 -0.53 -1.03 118.94 122.26 3ci0 s TRP 76 Ca 0.18 -0.56 -0.21 0.00 -1.06 0.00 0.00 56.10 54.44 3ci0 s TRP 76 Cb -0.14 -0.73 0.04 0.00 -1.16 0.00 0.00 33.47 31.49 3ci0 s TRP 76 CO 0.07 0.15 0.46 -0.98 -4.06 0.00 0.00 176.95 172.58 3ci0 s ARG 77 N -2.73 0.83 -0.18 3.25 1.70 -0.49 -0.89 118.95 120.44 3ci0 s ARG 77 Ca 0.09 -0.01 0.01 0.00 -0.47 0.00 0.00 55.73 55.35 3ci0 s ARG 77 Cb -0.04 0.38 0.03 0.00 -0.57 0.00 0.00 34.95 34.75 3ci0 s ARG 77 CO 0.03 -0.24 -0.12 0.95 -1.08 0.00 0.00 175.30 174.83 3ci0 s THR 78 N -1.29 1.64 -0.25 4.99 -4.23 0.41 -0.95 115.64 115.95 3ci0 s THR 78 Ca -0.12 -0.86 -0.01 0.00 -1.18 0.00 0.00 61.69 59.51 3ci0 s THR 78 Cb -0.03 -1.63 0.03 0.00 1.34 0.00 0.00 72.50 72.21 3ci0 s THR 78 CO 0.06 0.30 -0.06 -0.89 -0.54 0.00 0.00 174.62 173.49 3ci0 s THR 79 N 1.42 2.79 0.30 3.99 2.01 -0.21 -2.15 115.64 123.80 3ci0 s THR 79 Ca 0.01 -1.13 -0.28 0.00 0.31 0.00 0.00 61.69 60.60 3ci0 s THR 79 Cb -0.15 -2.46 -0.14 0.00 0.01 0.00 0.00 72.50 69.77 3ci0 s THR 79 CO -0.09 0.14 1.11 -2.65 -0.69 0.00 0.00 174.62 172.44 3ci0 n PRO 80 N 4.64 1.59 -4.41 4.92 -0.02 -1.26 -0.94 135.00 139.51 3ci0 n PRO 80 Ca -0.16 0.56 -0.25 0.00 -2.02 0.00 0.00 63.50 61.63 3ci0 n PRO 80 Cb 0.46 -2.00 -0.11 0.00 -0.02 0.00 0.00 33.50 31.83 3ci0 n PRO 80 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3ci0 s LEU 81 N 0.01 2.48 -0.08 2.45 1.02 -1.12 -4.85 118.68 118.59 3ci0 s LEU 81 Ca 0.58 -0.91 -0.24 0.00 0.02 0.00 0.00 54.13 53.58 3ci0 s LEU 81 Cb -0.66 -1.05 -0.03 0.00 0.02 0.00 0.00 46.19 44.46 3ci0 s LEU 81 CO 0.60 0.05 0.73 -0.44 0.02 0.00 0.00 176.35 177.31 3ci0 s SER 82 N -2.90 6.99 0.52 2.29 0.01 -1.26 -3.94 113.70 115.41 3ci0 s SER 82 Ca 0.22 1.20 0.07 0.00 1.31 0.00 0.00 55.95 58.74 3ci0 s SER 82 Cb -0.06 -2.42 0.05 0.00 0.21 0.00 0.00 66.02 63.79 3ci0 s SER 82 CO 0.10 -0.17 0.72 0.42 0.41 0.00 0.00 173.24 174.72 3ci0 s THR 83 N 1.04 2.59 -0.16 1.44 -4.23 -1.26 -5.01 115.64 110.05 3ci0 s THR 83 Ca 0.38 -0.90 -0.27 0.00 -1.18 0.00 0.00 61.69 59.72 3ci0 s THR 83 Cb -0.18 -2.68 -0.24 0.00 1.34 0.00 0.00 72.50 70.74 3ci0 s THR 83 CO 0.18 0.00 0.61 1.23 -0.54 0.00 0.00 174.62 176.09 3ci0 h GLY 84 N 0.28 0.00 -4.28 3.99 0.00 -1.97 -3.47 103.07 97.62 3ci0 h GLY 84 Ca -0.37 -0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.43 3ci0 h GLY 84 CO 0.44 0.00 0.31 0.21 0.00 0.00 0.00 176.54 177.51 3ci0 s ASN 85 N -6.41 7.40 -1.10 0.19 3.04 -1.26 -5.05 114.94 111.74 3ci0 s ASN 85 Ca -0.22 1.68 -0.17 0.00 0.04 0.00 0.00 52.86 54.19 3ci0 s ASN 85 Cb -0.00 -2.55 -0.07 0.00 -1.54 0.00 0.00 41.25 37.09 3ci0 s ASN 85 CO 0.66 -0.08 2.11 0.00 -3.04 0.00 0.00 177.10 176.75 3ci0 n ALA 86 N 3.01 4.52 -0.08 1.71 0.00 -1.26 -4.67 120.51 123.73 3ci0 n ALA 86 Ca 0.02 -3.49 0.00 0.00 0.00 0.00 0.00 53.44 49.97 3ci0 n ALA 86 Cb 0.50 -3.55 0.00 0.00 0.00 0.00 0.00 19.45 16.40 3ci0 n ALA 86 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3ci0 n LEU 88 N 6.54 -0.18 -4.88 0.00 7.94 -1.26 -4.77 117.00 120.39 3ci0 n LEU 88 Ca 0.52 0.00 -0.31 0.00 -1.11 0.00 0.00 56.01 55.11 3ci0 n LEU 88 Cb 0.38 -0.09 -0.04 0.00 0.53 0.00 0.00 43.42 44.19 3ci0 n LEU 88 CO 0.96 0.00 0.30 -1.10 -1.11 0.00 0.00 177.39 176.44 3ci0 s GLN 89 N -1.50 3.79 0.22 1.96 -0.21 0.11 -4.64 119.66 119.38 3ci0 s GLN 89 Ca 0.00 0.32 0.09 0.00 0.02 0.00 0.00 55.36 55.80 3ci0 s GLN 89 Cb 0.00 -2.54 -0.05 0.00 1.00 0.00 0.00 33.01 31.42 3ci0 s GLN 89 CO 0.00 0.17 -0.18 0.00 -2.12 0.00 0.00 175.29 173.17 3ci0 s ALA 90 N -2.05 2.27 -0.18 6.09 0.00 -1.25 0.74 121.76 127.37 3ci0 s ALA 90 Ca 0.49 -1.68 -0.13 0.00 0.00 0.00 0.00 51.96 50.63 3ci0 s ALA 90 Cb -0.11 -0.18 0.05 0.00 0.00 0.00 0.00 23.12 22.89 3ci0 s ALA 90 CO 0.25 0.19 0.46 0.08 0.00 0.00 0.00 175.76 176.75 3ci0 s VAL 91 N -2.53 -0.01 0.04 0.00 1.01 -0.49 -2.79 120.40 115.62 3ci0 s VAL 91 Ca 0.23 0.04 -0.17 0.00 0.00 0.00 0.00 61.98 62.08 3ci0 s VAL 91 Cb -0.04 -0.66 -0.06 0.00 0.00 0.00 0.00 36.38 35.62 3ci0 s VAL 91 CO 0.09 0.02 0.50 -1.81 0.00 0.00 0.00 175.10 173.90 3ci0 s ASP 92 N 0.85 6.95 -0.19 3.32 1.01 -0.12 -1.42 116.67 127.07 3ci0 s ASP 92 Ca -0.05 1.12 -0.01 0.00 0.71 0.00 0.00 52.55 54.32 3ci0 s ASP 92 Cb -0.06 -2.31 0.00 0.00 1.01 0.00 0.00 42.92 41.57 3ci0 s ASP 92 CO -0.07 0.29 -0.12 -0.63 0.21 0.00 0.00 175.17 174.85 3ci0 s ILE 93 N -1.04 2.78 -0.00 0.77 1.09 0.18 -1.04 121.20 123.93 3ci0 s ILE 93 Ca 0.27 -0.70 0.07 0.00 -1.10 0.00 0.00 60.65 59.19 3ci0 s ILE 93 Cb -0.18 -2.22 -0.02 0.00 -1.06 0.00 0.00 42.46 38.98 3ci0 s ILE 93 CO 0.16 0.48 -0.23 -1.61 -0.10 0.00 0.00 174.94 173.65 3ci0 s GLU 94 N 1.26 2.09 -0.08 2.79 2.02 -0.13 -0.28 118.70 126.38 3ci0 s GLU 94 Ca 0.03 -0.94 0.03 0.00 0.02 0.00 0.00 54.97 54.10 3ci0 s GLU 94 Cb -0.14 -2.10 0.01 0.00 0.10 0.00 0.00 34.13 32.00 3ci0 s GLU 94 CO -0.06 0.56 -0.15 0.08 0.02 0.00 0.00 175.26 175.70 3ci0 s VAL 95 N -0.72 1.39 0.09 2.63 1.01 0.40 -1.40 120.40 123.80 3ci0 s VAL 95 Ca 0.11 -0.62 0.02 0.00 0.00 0.00 0.00 61.98 61.49 3ci0 s VAL 95 Cb -0.10 -1.24 -0.04 0.00 0.00 0.00 0.00 36.38 35.00 3ci0 s VAL 95 CO 0.01 0.41 -0.07 -0.55 0.00 0.00 0.00 175.10 174.90 3ci0 s SER 96 N 0.61 1.11 0.18 3.32 0.15 -0.20 -0.68 113.70 118.20 3ci0 s SER 96 Ca -0.15 -0.88 0.26 0.00 0.70 0.00 0.00 55.95 55.88 3ci0 s SER 96 Cb -0.16 0.07 0.89 0.00 -1.71 0.00 0.00 66.02 65.11 3ci0 s SER 96 CO 0.05 -0.38 1.78 -0.11 1.20 0.00 0.00 173.24 175.77 3ci0 n LEU 97 N 0.37 0.66 -4.74 3.45 7.94 -1.26 -0.94 117.00 122.48 3ci0 n LEU 97 Ca -0.15 0.58 -0.35 0.00 -1.11 0.00 0.00 56.01 54.97 3ci0 n LEU 97 Cb 0.59 -0.39 -0.08 0.00 0.53 0.00 0.00 43.42 44.07 3ci0 n LEU 97 CO 0.28 -0.22 -0.21 -1.00 -1.11 0.00 0.00 177.39 175.13 3ci0 s HIS 98 N -3.12 3.39 0.48 1.96 3.76 -1.26 -4.78 115.29 115.73 3ci0 s HIS 98 Ca 0.10 0.29 0.13 0.00 -0.15 0.00 0.00 55.06 55.43 3ci0 s HIS 98 Cb 0.13 -2.04 1.13 0.00 1.11 0.00 0.00 32.58 32.90 3ci0 s HIS 98 CO 0.55 0.38 2.12 1.49 -0.85 0.00 0.00 174.74 178.43 3ci0 h GLU 99 N 6.09 0.18 -0.02 1.40 4.81 -1.93 -0.73 114.58 124.38 3ci0 h GLU 99 Ca -0.44 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 3ci0 h GLU 99 Cb 1.18 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.52 3ci0 h GLU 99 CO 0.68 0.12 0.00 -0.40 -0.73 0.00 0.00 179.01 178.68 3ci0 n ASP 100 N -4.52 1.23 -0.68 1.04 5.68 -1.26 -4.95 116.55 113.10 3ci0 n ASP 100 Ca -0.01 -1.42 -0.09 0.00 -0.50 0.00 0.00 54.79 52.78 3ci0 n ASP 100 Cb 0.08 -0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.02 3ci0 n ASP 100 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 3ci0 n PHE 101 N -0.04 0.00 -1.84 2.11 3.01 -0.28 -5.01 117.46 115.41 3ci0 n PHE 101 Ca 0.20 0.00 -0.38 0.00 1.01 0.00 0.00 57.45 58.28 3ci0 n PHE 101 Cb 0.31 -2.02 0.03 0.00 -0.01 0.00 0.00 39.48 37.80 3ci0 n PHE 101 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 3ci0 s SER 102 N -2.57 5.39 -0.67 4.37 1.04 -1.26 -4.28 113.70 115.72 3ci0 s SER 102 Ca 0.00 2.71 -0.03 0.00 0.48 0.00 0.00 55.95 59.11 3ci0 s SER 102 Cb 0.00 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.49 3ci0 s SER 102 CO 0.00 -1.48 0.67 -0.24 0.98 0.00 0.00 173.24 173.17 3ci0 n SER 103 N -0.94 -7.76 -4.65 7.02 2.88 -1.26 -4.46 113.62 104.44 3ci0 n SER 103 Ca 0.10 0.05 -0.43 0.00 -1.33 0.00 0.00 58.87 57.26 3ci0 n SER 103 Cb 0.45 -5.28 -0.02 0.00 -0.75 0.00 0.00 64.21 58.61 3ci0 n SER 103 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 3ci0 s VAL 104 N -2.92 3.84 0.00 2.46 1.01 -1.26 -4.52 120.40 119.02 3ci0 s VAL 104 Ca 0.05 0.99 -0.20 0.00 0.00 0.00 0.00 61.98 62.82 3ci0 s VAL 104 Cb -0.01 -3.73 -0.24 0.00 0.00 0.00 0.00 36.38 32.41 3ci0 s VAL 104 CO 0.74 -0.18 1.09 0.40 0.00 0.00 0.00 175.10 177.15 3ci0 h ILE 105 N 5.76 1.43 -3.71 2.22 2.04 -1.25 -3.45 117.51 120.55 3ci0 h ILE 105 Ca -0.33 -2.09 -0.32 0.00 1.00 0.00 0.00 64.86 63.12 3ci0 h ILE 105 Cb 1.14 2.61 -0.30 0.00 -0.74 0.00 0.00 36.82 39.53 3ci0 h ILE 105 CO 0.98 0.61 -0.75 -1.10 0.00 0.00 0.00 178.15 177.89 3ci0 s GLN 106 N -3.19 0.32 0.13 2.37 -1.52 -1.12 -4.94 119.66 111.71 3ci0 s GLN 106 Ca -0.13 -0.06 0.09 0.00 -1.95 0.00 0.00 55.36 53.31 3ci0 s GLN 106 Cb 0.03 -0.37 -0.04 0.00 -0.22 0.00 0.00 33.01 32.41 3ci0 s GLN 106 CO 0.82 -0.00 -0.19 -1.12 -0.25 0.00 0.00 175.29 174.55 3ci0 s SER 107 N 0.33 3.83 0.02 5.90 0.01 -1.26 -0.45 113.70 122.08 3ci0 s SER 107 Ca -0.03 -0.61 0.00 0.00 1.31 0.00 0.00 55.95 56.61 3ci0 s SER 107 Cb -0.06 -0.50 -0.02 0.00 0.21 0.00 0.00 66.02 65.64 3ci0 s SER 107 CO -0.01 0.16 -0.03 -0.13 0.41 0.00 0.00 173.24 173.64 3ci0 s ARG 108 N -2.28 0.35 0.04 12.44 1.81 0.62 -4.95 118.95 126.97 3ci0 s ARG 108 Ca 0.19 -0.67 0.09 0.00 -1.72 0.00 0.00 55.73 53.62 3ci0 s ARG 108 Cb -0.10 0.10 -0.03 0.00 -0.45 0.00 0.00 34.95 34.47 3ci0 s ARG 108 CO 0.10 -0.05 -0.26 0.50 -0.68 0.00 0.00 175.30 174.91 3ci0 s ARG 109 N -1.68 1.81 -0.03 3.54 3.52 -1.26 0.48 118.95 125.33 3ci0 s ARG 109 Ca -0.14 -1.07 -0.09 0.00 -0.13 0.00 0.00 55.73 54.30 3ci0 s ARG 109 Cb -0.08 -1.95 0.01 0.00 -1.56 0.00 0.00 34.95 31.37 3ci0 s ARG 109 CO -0.02 0.51 0.21 0.00 -0.81 0.00 0.00 175.30 175.19 3ci0 s ALA 110 N -0.77 -0.52 0.02 6.12 0.00 -0.51 -5.00 121.76 121.10 3ci0 s ALA 110 Ca 0.11 0.26 0.05 0.00 0.00 0.00 0.00 51.96 52.37 3ci0 s ALA 110 Cb -0.10 -0.07 -0.03 0.00 0.00 0.00 0.00 23.12 22.91 3ci0 s ALA 110 CO 0.02 -0.19 -0.10 -1.58 0.00 0.00 0.00 175.76 173.91 3ci0 s TRP 111 N -0.83 2.79 0.25 0.00 0.51 -1.26 -1.40 118.94 119.00 3ci0 s TRP 111 Ca -0.09 -0.11 0.01 0.00 -2.12 0.00 0.00 56.10 53.79 3ci0 s TRP 111 Cb -0.05 -1.56 -0.05 0.00 -0.81 0.00 0.00 33.47 31.00 3ci0 s TRP 111 CO 0.02 0.34 0.09 -0.06 -0.51 0.00 0.00 176.95 176.83 3ci0 s PHE 112 N -0.99 1.52 0.15 -1.98 0.08 0.23 -4.96 117.98 112.03 3ci0 s PHE 112 Ca 0.17 -1.16 -0.13 0.00 0.12 0.00 0.00 56.93 55.93 3ci0 s PHE 112 Cb -0.11 -0.89 -0.07 0.00 -0.57 0.00 0.00 43.02 41.38 3ci0 s PHE 112 CO 0.07 -0.32 0.52 -1.54 -0.10 0.00 0.00 175.22 173.86 3ci0 s SER 113 N -3.31 6.75 0.00 1.36 1.04 -1.26 0.08 113.70 118.36 3ci0 s SER 113 Ca 0.37 0.99 0.19 0.00 0.48 0.00 0.00 55.95 57.98 3ci0 s SER 113 Cb 0.08 -2.25 0.15 0.00 0.10 0.00 0.00 66.02 64.09 3ci0 s SER 113 CO 0.13 0.08 1.10 0.00 0.98 0.00 0.00 173.24 175.54