#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cui n SER 2 N 0.00 -6.26 -4.60 1.61 7.64 -1.26 -4.93 113.62 105.82 2cui n SER 2 Ca 0.00 -0.53 -0.43 0.00 1.01 0.00 0.00 58.87 58.92 2cui n SER 2 Cb 0.00 -4.91 -0.02 0.00 -1.01 0.00 0.00 64.21 58.26 2cui n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2cui s SER 3 N -3.32 6.64 0.41 6.43 0.15 -1.26 -5.01 113.70 117.74 2cui s SER 3 Ca 0.57 0.46 -0.26 0.00 0.70 0.00 0.00 55.95 57.43 2cui s SER 3 Cb -0.25 -2.53 -0.09 0.00 -1.71 0.00 0.00 66.02 61.44 2cui s SER 3 CO 0.71 -1.19 1.27 -0.83 1.20 0.00 0.00 173.24 174.40 2cui s GLY 4 N 2.36 2.91 -0.18 9.45 0.00 -1.26 -4.98 107.32 115.63 2cui s GLY 4 Ca 0.46 1.17 -0.14 0.00 0.00 0.00 0.00 44.72 46.21 2cui s GLY 4 CO 0.30 1.73 -0.20 -1.14 0.00 0.00 0.00 173.10 173.79 2cui n SER 5 N 0.10 1.87 -4.73 1.64 3.41 -1.26 -4.97 113.62 109.68 2cui n SER 5 Ca 0.04 0.48 -0.33 0.00 -0.26 0.00 0.00 58.87 58.81 2cui n SER 5 Cb 0.44 -0.84 0.10 0.00 -0.26 0.00 0.00 64.21 63.66 2cui n SER 5 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2cui s SER 6 N -6.10 4.09 0.10 4.04 1.04 -1.26 -4.82 113.70 110.79 2cui s SER 6 Ca -0.23 2.14 0.00 0.00 0.48 0.00 0.00 55.95 58.34 2cui s SER 6 Cb 0.04 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.60 2cui s SER 6 CO 0.36 -2.32 0.00 0.61 0.98 0.00 0.00 173.24 172.87 2cui n GLY 7 N -0.14 -3.22 3.83 7.32 0.00 -1.26 -4.97 105.19 106.75 2cui n GLY 7 Ca 0.12 -1.12 -0.35 0.00 0.00 0.00 0.00 46.02 44.67 2cui n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cui s SER 8 N -2.55 6.95 0.25 1.61 0.01 -1.26 -5.04 113.70 113.67 2cui s SER 8 Ca 0.00 1.31 -0.30 0.00 1.31 0.00 0.00 55.95 58.27 2cui s SER 8 Cb 0.00 -2.38 -0.09 0.00 0.21 0.00 0.00 66.02 63.76 2cui s SER 8 CO 0.00 0.01 1.27 -0.60 0.41 0.00 0.00 173.24 174.33 2cui s ARG 9 N -2.14 4.42 0.34 12.44 3.52 -1.26 -4.99 118.95 131.29 2cui s ARG 9 Ca 0.44 2.06 -0.28 0.00 -0.13 0.00 0.00 55.73 57.82 2cui s ARG 9 Cb -0.15 -3.16 -0.09 0.00 -1.56 0.00 0.00 34.95 29.98 2cui s ARG 9 CO 0.20 -0.16 1.21 -1.25 -0.81 0.00 0.00 175.30 174.50 2cui s PRO 10 N -0.80 4.31 0.44 5.12 0.04 -1.26 -5.05 135.00 137.81 2cui s PRO 10 Ca 0.52 2.00 0.04 0.00 0.04 0.00 0.00 61.00 63.60 2cui s PRO 10 Cb -0.37 -2.96 -0.01 0.00 0.04 0.00 0.00 34.50 31.20 2cui s PRO 10 CO 0.43 -0.15 0.13 1.03 0.04 0.00 0.00 177.00 178.48 2cui s ARG 11 N -1.89 2.04 0.19 4.56 3.00 -1.26 -4.86 118.95 120.73 2cui s ARG 11 Ca 0.51 -2.27 -0.05 0.00 0.00 0.00 0.00 55.73 53.92 2cui s ARG 11 Cb -0.35 -0.67 -0.06 0.00 0.00 0.00 0.00 34.95 33.88 2cui s ARG 11 CO 0.45 -0.53 0.43 -0.51 0.00 0.00 0.00 175.30 175.15 2cui s LEU 12 N -3.67 4.21 0.70 2.53 1.43 -1.26 -4.67 118.68 117.95 2cui s LEU 12 Ca 0.19 0.64 0.01 0.00 -1.03 0.00 0.00 54.13 53.94 2cui s LEU 12 Cb 0.01 -3.39 0.13 0.00 0.03 0.00 0.00 46.19 42.97 2cui s LEU 12 CO 0.13 -0.02 0.97 -0.44 0.23 0.00 0.00 176.35 177.22 2cui s SER 13 N -2.64 4.42 -0.25 2.29 0.01 -0.94 -4.98 113.70 111.61 2cui s SER 13 Ca 0.42 -0.50 -0.30 0.00 1.31 0.00 0.00 55.95 56.88 2cui s SER 13 Cb -0.12 0.12 -0.07 0.00 0.21 0.00 0.00 66.02 66.17 2cui s SER 13 CO 0.26 -1.82 2.21 0.00 0.41 0.00 0.00 173.24 174.30 2cui n GLN 14 N -2.75 1.72 -2.86 12.44 10.64 -1.26 -4.67 117.38 130.63 2cui n GLN 14 Ca 0.16 0.47 -0.43 0.00 -1.83 0.00 0.00 57.00 55.37 2cui n GLN 14 Cb 0.61 -3.00 -0.04 0.00 -0.86 0.00 0.00 30.24 26.94 2cui n GLN 14 CO 0.00 0.00 0.00 -1.17 -1.83 0.00 0.00 177.06 174.06 2cui s LEU 15 N 7.94 4.22 0.32 2.61 2.96 -1.26 -4.64 118.68 130.82 2cui s LEU 15 Ca 1.03 -0.57 0.08 0.00 -0.22 0.00 0.00 54.13 54.44 2cui s LEU 15 Cb -0.49 -2.68 -0.03 0.00 0.50 0.00 0.00 46.19 43.49 2cui s LEU 15 CO 0.40 -1.28 0.23 -0.44 -1.32 0.00 0.00 176.35 173.94 2cui s SER 16 N 3.09 5.15 -0.11 3.68 0.01 -1.20 -4.63 113.70 119.69 2cui s SER 16 Ca 0.27 -0.53 -0.01 0.00 1.31 0.00 0.00 55.95 56.99 2cui s SER 16 Cb -0.14 -0.97 -0.03 0.00 0.21 0.00 0.00 66.02 65.09 2cui s SER 16 CO 0.16 -0.29 -0.07 -0.69 0.41 0.00 0.00 173.24 172.76 2cui s VAL 17 N -2.31 3.62 0.09 3.43 1.01 -1.26 -2.28 120.40 122.71 2cui s VAL 17 Ca 0.39 -0.48 0.07 0.00 0.00 0.00 0.00 61.98 61.96 2cui s VAL 17 Cb -0.05 -2.53 -0.03 0.00 0.00 0.00 0.00 36.38 33.76 2cui s VAL 17 CO 0.25 0.54 -0.19 0.42 0.00 0.00 0.00 175.10 176.12 2cui s THR 18 N -0.13 1.57 -1.06 3.92 -4.23 0.10 -4.78 115.64 111.03 2cui s THR 18 Ca 0.01 -1.48 -0.05 0.00 -1.18 0.00 0.00 61.69 58.99 2cui s THR 18 Cb -0.13 -1.44 0.01 0.00 1.34 0.00 0.00 72.50 72.27 2cui s THR 18 CO 0.03 -0.10 0.91 0.47 -0.54 0.00 0.00 174.62 175.39 2cui n ASP 19 N 1.14 -4.40 -4.50 3.99 8.00 -1.26 -1.52 116.55 117.99 2cui n ASP 19 Ca -0.20 -0.46 -0.42 0.00 0.71 0.00 0.00 54.79 54.42 2cui n ASP 19 Cb 0.54 -4.20 -0.08 0.00 -0.02 0.00 0.00 41.12 37.35 2cui n ASP 19 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2cui n VAL 20 N -4.21 0.02 -2.28 2.53 0.31 -1.26 -4.35 118.33 109.09 2cui n VAL 20 Ca -0.07 -0.40 -0.28 0.00 -0.01 0.00 0.00 64.34 63.58 2cui n VAL 20 Cb 0.58 -1.76 0.02 0.00 -0.91 0.00 0.00 33.84 31.76 2cui n VAL 20 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 2cui s THR 21 N 9.79 4.26 0.23 2.52 2.01 0.62 -4.37 115.64 130.70 2cui s THR 21 Ca 1.13 0.33 -0.06 0.00 0.31 0.00 0.00 61.69 63.40 2cui s THR 21 Cb -0.71 -3.68 0.19 0.00 0.01 0.00 0.00 72.50 68.31 2cui s THR 21 CO 0.40 -0.76 1.76 0.71 -0.69 0.00 0.00 174.62 176.04 2cui h THR 22 N -0.15 0.78 0.00 -0.82 1.35 -1.92 -1.64 112.91 110.52 2cui h THR 22 Ca -0.46 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 65.22 2cui h THR 22 Cb 1.22 0.19 0.00 0.00 -1.73 0.00 0.00 68.15 67.84 2cui h THR 22 CO 0.62 0.10 -0.17 -1.20 -0.25 0.00 0.00 175.52 174.62 2cui n SER 23 N -4.91 1.30 -3.14 5.36 7.64 -1.26 -3.71 113.62 114.91 2cui n SER 23 Ca 0.12 -2.39 -0.11 0.00 1.01 0.00 0.00 58.87 57.50 2cui n SER 23 Cb 0.32 -0.26 -0.01 0.00 -1.01 0.00 0.00 64.21 63.26 2cui n SER 23 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2cui s SER 24 N -1.74 0.33 0.09 6.43 1.04 -1.16 -0.32 113.70 118.36 2cui s SER 24 Ca 0.14 -1.24 -0.25 0.00 0.48 0.00 0.00 55.95 55.08 2cui s SER 24 Cb 0.12 0.77 0.09 0.00 0.10 0.00 0.00 66.02 67.09 2cui s SER 24 CO 0.01 -1.51 1.16 -1.48 0.98 0.00 0.00 173.24 172.41 2cui s LEU 25 N -3.12 0.01 0.06 2.42 0.05 -1.20 0.23 118.68 117.13 2cui s LEU 25 Ca 0.21 -0.45 0.04 0.00 0.05 0.00 0.00 54.13 53.98 2cui s LEU 25 Cb -0.03 1.70 -0.03 0.00 -2.05 0.00 0.00 46.19 45.78 2cui s LEU 25 CO 0.14 -0.65 -0.12 -0.60 -0.55 0.00 0.00 176.35 174.58 2cui s ARG 26 N -2.04 0.72 0.30 1.48 3.52 -0.58 -3.26 118.95 119.10 2cui s ARG 26 Ca 0.27 -0.88 0.11 0.00 -0.13 0.00 0.00 55.73 55.10 2cui s ARG 26 Cb -0.02 -0.65 -0.05 0.00 -1.56 0.00 0.00 34.95 32.67 2cui s ARG 26 CO 0.03 0.14 -0.14 -0.51 -0.81 0.00 0.00 175.30 174.00 2cui s LEU 27 N -1.66 2.71 -0.25 -0.88 1.43 0.32 0.01 118.68 120.36 2cui s LEU 27 Ca -0.05 -1.03 -0.05 0.00 -1.03 0.00 0.00 54.13 51.97 2cui s LEU 27 Cb -0.10 -1.16 0.13 0.00 0.03 0.00 0.00 46.19 45.09 2cui s LEU 27 CO 0.02 -0.04 0.49 0.20 0.23 0.00 0.00 176.35 177.25 2cui s ASN 28 N -3.56 -0.53 0.03 2.29 0.01 -0.97 -3.69 114.94 108.53 2cui s ASN 28 Ca 0.31 0.91 0.04 0.00 -0.71 0.00 0.00 52.86 53.41 2cui s ASN 28 Cb -0.03 1.64 -0.02 0.00 0.41 0.00 0.00 41.25 43.25 2cui s ASN 28 CO 0.16 -0.25 -0.13 -1.66 -1.51 0.00 0.00 177.10 173.71 2cui s TRP 29 N 2.70 1.16 -0.14 2.20 -2.14 -1.21 -3.27 118.94 118.24 2cui s TRP 29 Ca 0.05 -0.34 -0.09 0.00 2.66 0.00 0.00 56.10 58.38 2cui s TRP 29 Cb -0.13 -0.70 -0.04 0.00 -3.10 0.00 0.00 33.47 29.49 2cui s TRP 29 CO -0.16 0.02 0.17 -2.00 -2.66 0.00 0.00 176.95 172.32 2cui s GLU 30 N -1.05 3.78 -0.02 3.25 2.12 -1.26 -4.65 118.70 120.87 2cui s GLU 30 Ca 0.01 -0.10 -0.08 0.00 0.36 0.00 0.00 54.97 55.17 2cui s GLU 30 Cb -0.07 -3.28 0.01 0.00 0.26 0.00 0.00 34.13 31.04 2cui s GLU 30 CO 0.01 0.58 0.17 0.00 -0.54 0.00 0.00 175.26 175.48 2cui s ALA 31 N -0.47 -0.42 0.83 6.30 0.00 -1.26 -2.22 121.76 124.52 2cui s ALA 31 Ca 0.14 0.13 -0.11 0.00 0.00 0.00 0.00 51.96 52.12 2cui s ALA 31 Cb -0.12 -0.04 0.09 0.00 0.00 0.00 0.00 23.12 23.05 2cui s ALA 31 CO 0.03 -0.17 1.09 -1.25 0.00 0.00 0.00 175.76 175.46 2cui s PRO 32 N -0.88 1.81 0.37 0.00 0.04 -1.26 -5.00 135.00 130.08 2cui s PRO 32 Ca -0.10 1.01 -0.27 0.00 0.04 0.00 0.00 61.00 61.69 2cui s PRO 32 Cb -0.05 -1.86 -0.09 0.00 0.04 0.00 0.00 34.50 32.54 2cui s PRO 32 CO 0.01 -1.91 1.20 -1.25 0.04 0.00 0.00 177.00 175.10 2cui s PRO 33 N -4.92 4.19 -1.41 0.56 0.04 -1.26 -3.20 135.00 129.00 2cui s PRO 33 Ca 0.62 1.94 -0.06 0.00 0.04 0.00 0.00 61.00 63.55 2cui s PRO 33 Cb -0.17 -2.84 0.03 0.00 0.04 0.00 0.00 34.50 31.56 2cui s PRO 33 CO 0.56 -0.24 0.45 0.41 0.04 0.00 0.00 177.00 178.23 2cui n GLY 34 N 0.75 -0.51 0.07 0.56 0.00 -1.26 -4.89 105.19 99.91 2cui n GLY 34 Ca 0.03 0.09 -0.07 0.00 0.00 0.00 0.00 46.02 46.06 2cui n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cui h ALA 35 N 0.99 0.05 -2.42 4.61 0.00 -1.94 -3.49 119.26 117.06 2cui h ALA 35 Ca -0.46 -0.57 -0.48 0.00 0.00 0.00 0.00 54.91 53.40 2cui h ALA 35 Cb 1.32 0.47 -0.15 0.00 0.00 0.00 0.00 17.79 19.43 2cui h ALA 35 CO 0.53 0.46 -0.75 -0.06 0.00 0.00 0.00 179.25 179.43 2cui s PHE 36 N -2.17 1.78 0.05 0.00 0.08 -1.26 -4.79 117.98 111.67 2cui s PHE 36 Ca -0.15 -0.52 0.06 0.00 0.12 0.00 0.00 56.93 56.43 2cui s PHE 36 Cb 0.02 -0.84 -0.23 0.00 -0.57 0.00 0.00 43.02 41.40 2cui s PHE 36 CO 0.27 0.38 1.02 0.22 -0.10 0.00 0.00 175.22 177.01 2cui h ASP 37 N 2.74 0.10 -2.73 1.36 3.58 0.57 -3.35 116.42 118.68 2cui h ASP 37 Ca -0.39 -0.13 0.00 0.00 0.42 0.00 0.00 57.03 56.93 2cui h ASP 37 Cb 1.22 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 42.24 2cui h ASP 37 CO 0.59 1.10 0.30 -1.54 -2.88 0.00 0.00 179.24 176.81 2cui n SER 38 N -3.29 -2.01 -3.73 2.28 3.41 -0.25 -3.44 113.62 106.58 2cui n SER 38 Ca -0.08 -2.34 -0.22 0.00 -0.26 0.00 0.00 58.87 55.97 2cui n SER 38 Cb 0.99 3.34 -0.18 0.00 -0.26 0.00 0.00 64.21 68.11 2cui n SER 38 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2cui s PHE 39 N -2.70 0.40 -0.45 7.33 0.08 0.63 -1.21 117.98 122.06 2cui s PHE 39 Ca 0.16 0.01 -0.11 0.00 0.12 0.00 0.00 56.93 57.10 2cui s PHE 39 Cb -0.04 -0.66 0.09 0.00 -0.57 0.00 0.00 43.02 41.84 2cui s PHE 39 CO 0.10 -0.27 0.33 -1.17 -0.10 0.00 0.00 175.22 174.11 2cui s LEU 40 N 2.06 5.48 -0.20 -0.37 2.96 -0.80 -1.96 118.68 125.85 2cui s LEU 40 Ca 0.05 -1.58 -0.21 0.00 -0.22 0.00 0.00 54.13 52.17 2cui s LEU 40 Cb -0.12 -2.06 -0.02 0.00 0.50 0.00 0.00 46.19 44.48 2cui s LEU 40 CO -0.04 -0.63 0.63 -0.22 -1.32 0.00 0.00 176.35 174.77 2cui s LEU 41 N 1.48 4.14 -0.26 -0.68 2.96 -0.96 -1.97 118.68 123.38 2cui s LEU 41 Ca 0.04 0.84 -0.03 0.00 -0.22 0.00 0.00 54.13 54.75 2cui s LEU 41 Cb -0.25 -2.89 0.02 0.00 0.50 0.00 0.00 46.19 43.57 2cui s LEU 41 CO 0.03 -0.27 -0.02 -0.13 -1.32 0.00 0.00 176.35 174.64 2cui s ARG 42 N 1.91 2.89 -0.26 1.98 0.52 -0.50 -1.25 118.95 124.24 2cui s ARG 42 Ca 0.29 -0.95 -0.04 0.00 -0.52 0.00 0.00 55.73 54.51 2cui s ARG 42 Cb -0.16 -3.11 0.02 0.00 0.52 0.00 0.00 34.95 32.22 2cui s ARG 42 CO 0.10 -0.42 -0.00 -0.59 0.02 0.00 0.00 175.30 174.41 2cui s PHE 43 N 1.37 3.09 0.17 -0.53 -0.71 -1.23 -2.15 117.98 117.99 2cui s PHE 43 Ca 0.01 -1.27 0.07 0.00 -1.04 0.00 0.00 56.93 54.70 2cui s PHE 43 Cb -0.17 -2.14 -0.04 0.00 -1.21 0.00 0.00 43.02 39.46 2cui s PHE 43 CO -0.02 -0.65 -0.14 0.20 -1.34 0.00 0.00 175.22 173.27 2cui s GLY 44 N 1.41 1.27 -0.45 1.99 0.00 -1.11 -4.43 107.32 105.99 2cui s GLY 44 Ca 0.02 -1.53 -0.28 0.00 0.00 0.00 0.00 44.72 42.93 2cui s GLY 44 CO -0.02 -1.61 1.07 0.14 0.00 0.00 0.00 173.10 172.68 2cui s VAL 45 N -2.79 4.33 -0.32 1.40 1.01 -1.26 -3.03 120.40 119.73 2cui s VAL 45 Ca 0.18 1.16 -0.29 0.00 0.00 0.00 0.00 61.98 63.03 2cui s VAL 45 Cb -0.01 -4.53 -0.01 0.00 0.00 0.00 0.00 36.38 31.83 2cui s VAL 45 CO 0.05 -0.88 1.68 -2.16 0.00 0.00 0.00 175.10 173.78 2cui s PRO 46 N 4.13 3.50 -0.03 2.72 0.04 -1.26 -5.00 135.00 139.10 2cui s PRO 46 Ca 0.44 1.39 0.03 0.00 0.04 0.00 0.00 61.00 62.90 2cui s PRO 46 Cb -0.09 -4.12 -0.03 0.00 0.04 0.00 0.00 34.50 30.30 2cui s PRO 46 CO 0.28 -1.66 -0.08 0.45 0.04 0.00 0.00 177.00 176.03 2cui s SER 47 N 5.20 4.53 1.00 6.66 0.15 -1.26 -5.08 113.70 124.90 2cui s SER 47 Ca 0.74 -0.12 -0.12 0.00 0.70 0.00 0.00 55.95 57.15 2cui s SER 47 Cb -0.21 -1.06 0.19 0.00 -1.71 0.00 0.00 66.02 63.22 2cui s SER 47 CO 0.33 0.32 1.09 -2.16 1.20 0.00 0.00 173.24 174.02 2cui s PRO 48 N -1.11 0.42 -0.17 5.44 0.04 -1.26 -4.98 135.00 133.38 2cui s PRO 48 Ca 0.15 0.52 0.16 0.00 0.04 0.00 0.00 61.00 61.87 2cui s PRO 48 Cb -0.11 -1.74 0.55 0.00 0.04 0.00 0.00 34.50 33.25 2cui s PRO 48 CO 0.04 -2.74 1.45 0.45 0.04 0.00 0.00 177.00 176.25 2cui n SER 49 N -4.18 4.05 -0.08 6.66 2.88 -1.26 -4.43 113.62 117.27 2cui n SER 49 Ca 0.05 -2.91 -0.05 0.00 -1.33 0.00 0.00 58.87 54.64 2cui n SER 49 Cb 0.57 -0.54 -0.16 0.00 -0.75 0.00 0.00 64.21 63.34 2cui n SER 49 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 2cui n THR 50 N -0.25 1.01 -3.77 2.46 5.66 -1.26 -4.98 114.28 113.16 2cui n THR 50 Ca 0.21 -0.75 -0.23 0.00 -3.05 0.00 0.00 64.05 60.23 2cui n THR 50 Cb 0.89 -0.35 -0.02 0.00 -1.55 0.00 0.00 70.33 69.30 2cui n THR 50 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 2cui s LEU 51 N -5.21 4.23 0.64 1.09 2.96 -1.26 -5.09 118.68 116.03 2cui s LEU 51 Ca -0.09 0.23 -0.15 0.00 -0.22 0.00 0.00 54.13 53.90 2cui s LEU 51 Cb 0.08 -3.03 -0.01 0.00 0.50 0.00 0.00 46.19 43.72 2cui s LEU 51 CO 0.84 -0.11 1.08 -1.61 -1.32 0.00 0.00 176.35 175.23 2cui s GLU 52 N -3.87 3.02 0.53 1.98 2.02 -1.26 -5.00 118.70 116.11 2cui s GLU 52 Ca 0.36 1.27 -0.20 0.00 0.02 0.00 0.00 54.97 56.42 2cui s GLU 52 Cb -0.10 -1.99 -0.06 0.00 0.10 0.00 0.00 34.13 32.08 2cui s GLU 52 CO 0.31 -1.06 1.14 -1.25 0.02 0.00 0.00 175.26 174.42 2cui s PRO 53 N -4.18 3.44 0.27 0.39 0.04 -1.26 -5.01 135.00 128.69 2cui s PRO 53 Ca 0.65 1.64 -0.28 0.00 0.04 0.00 0.00 61.00 63.05 2cui s PRO 53 Cb -0.18 -2.09 -0.09 0.00 0.04 0.00 0.00 34.50 32.18 2cui s PRO 53 CO 0.41 -0.78 0.92 -1.58 0.04 0.00 0.00 177.00 176.00 2cui s HIS 54 N -1.72 3.85 -1.29 0.56 2.46 -1.26 -4.94 115.29 112.94 2cui s HIS 54 Ca 0.71 1.82 0.15 0.00 0.47 0.00 0.00 55.06 58.20 2cui s HIS 54 Cb -0.25 -2.92 0.70 0.00 -0.13 0.00 0.00 32.58 29.98 2cui s HIS 54 CO 0.28 0.36 1.42 -0.35 -2.47 0.00 0.00 174.74 173.99 2cui n PRO 55 N 1.08 0.14 -5.18 2.88 -0.04 -1.26 -4.64 135.00 127.99 2cui n PRO 55 Ca -0.01 0.18 -0.32 0.00 -0.04 0.00 0.00 63.50 63.32 2cui n PRO 55 Cb 0.49 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.29 2cui n PRO 55 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 2cui s ARG 56 N -2.71 2.72 0.86 0.54 3.52 -1.26 -5.13 118.95 117.49 2cui s ARG 56 Ca 0.12 -0.86 -0.11 0.00 -0.13 0.00 0.00 55.73 54.74 2cui s ARG 56 Cb 0.10 -2.25 0.11 0.00 -1.56 0.00 0.00 34.95 31.34 2cui s ARG 56 CO 0.24 0.35 1.09 -1.25 -0.81 0.00 0.00 175.30 174.92 2cui s PRO 57 N -0.08 1.51 -0.23 5.12 0.04 -1.26 -5.05 135.00 135.06 2cui s PRO 57 Ca -0.06 0.91 -0.00 0.00 0.04 0.00 0.00 61.00 61.89 2cui s PRO 57 Cb -0.14 -1.83 0.03 0.00 0.04 0.00 0.00 34.50 32.59 2cui s PRO 57 CO 0.04 -2.09 -0.11 -0.51 0.04 0.00 0.00 177.00 174.38 2cui s LEU 58 N -6.14 2.88 0.00 -3.56 1.43 -1.26 -5.08 118.68 106.95 2cui s LEU 58 Ca 0.63 -0.85 -0.30 0.00 -1.03 0.00 0.00 54.13 52.58 2cui s LEU 58 Cb -0.18 -1.60 -0.07 0.00 0.03 0.00 0.00 46.19 44.38 2cui s LEU 58 CO 0.57 -0.09 1.71 -0.22 0.23 0.00 0.00 176.35 178.54 2cui s LEU 59 N 1.29 4.36 0.26 1.79 2.96 -1.26 -5.00 118.68 123.08 2cui s LEU 59 Ca 0.01 2.39 0.07 0.00 -0.22 0.00 0.00 54.13 56.37 2cui s LEU 59 Cb -0.16 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 42.96 2cui s LEU 59 CO -0.07 -0.93 0.27 0.00 -1.32 0.00 0.00 176.35 174.29 2cui s GLN 60 N 3.65 3.05 0.10 1.98 0.00 -1.26 -5.06 119.66 122.12 2cui s GLN 60 Ca 0.76 -1.00 -0.12 0.00 -0.00 0.00 0.00 55.36 54.99 2cui s GLN 60 Cb -0.37 -2.65 0.02 0.00 0.00 0.00 0.00 33.01 30.00 2cui s GLN 60 CO 0.32 0.35 0.29 0.50 0.00 0.00 0.00 175.29 176.76 2cui s ARG 61 N -3.92 0.93 0.03 9.60 3.52 -1.26 -5.13 118.95 122.73 2cui s ARG 61 Ca 0.35 -0.79 -0.01 0.00 -0.13 0.00 0.00 55.73 55.14 2cui s ARG 61 Cb -0.08 0.40 -0.03 0.00 -1.56 0.00 0.00 34.95 33.68 2cui s ARG 61 CO 0.27 -0.33 -0.02 -1.83 -0.81 0.00 0.00 175.30 172.58 2cui s GLU 62 N -3.66 0.47 0.16 5.12 1.03 -1.26 -3.54 118.70 117.02 2cui s GLU 62 Ca 0.03 -0.88 0.04 0.00 0.03 0.00 0.00 54.97 54.19 2cui s GLU 62 Cb 0.03 0.17 -0.04 0.00 -0.80 0.00 0.00 34.13 33.49 2cui s GLU 62 CO -0.10 -0.09 0.20 -1.17 -1.33 0.00 0.00 175.26 172.77 2cui s LEU 63 N -2.14 4.01 -0.18 1.83 2.96 -0.38 -4.92 118.68 119.86 2cui s LEU 63 Ca -0.05 -0.02 0.00 0.00 -0.22 0.00 0.00 54.13 53.84 2cui s LEU 63 Cb -0.01 -2.60 0.04 0.00 0.50 0.00 0.00 46.19 44.12 2cui s LEU 63 CO -0.05 0.06 -0.07 -0.32 -1.32 0.00 0.00 176.35 174.64 2cui s MET 64 N -3.20 1.68 -0.01 1.98 1.75 -1.26 -2.28 119.30 117.97 2cui s MET 64 Ca 0.32 -0.68 0.00 0.00 -1.25 0.00 0.00 55.69 54.09 2cui s MET 64 Cb -0.10 -2.22 0.01 0.00 2.84 0.00 0.00 34.83 35.36 2cui s MET 64 CO 0.25 -0.45 -0.01 0.08 -0.65 0.00 0.00 175.02 174.25 2cui s VAL 65 N 1.52 0.13 0.54 10.11 1.01 -0.83 -4.95 120.40 127.94 2cui s VAL 65 Ca -0.01 -0.02 -0.19 0.00 0.00 0.00 0.00 61.98 61.76 2cui s VAL 65 Cb -0.16 -0.15 -0.06 0.00 0.00 0.00 0.00 36.38 36.01 2cui s VAL 65 CO -0.08 0.06 1.13 -2.16 0.00 0.00 0.00 175.10 174.06 2cui s PRO 66 N 0.25 3.35 0.28 2.72 0.04 -1.26 0.23 135.00 140.61 2cui s PRO 66 Ca -0.02 1.61 -0.00 0.00 0.04 0.00 0.00 61.00 62.62 2cui s PRO 66 Cb -0.04 -2.00 0.65 0.00 0.04 0.00 0.00 34.50 33.14 2cui s PRO 66 CO -0.01 -0.85 1.64 0.78 0.04 0.00 0.00 177.00 178.60 2cui h GLY 67 N 1.18 1.22 0.59 0.56 0.00 -1.70 0.68 103.07 105.61 2cui h GLY 67 Ca -0.50 0.02 0.20 0.00 0.00 0.00 0.00 47.33 47.05 2cui h GLY 67 CO 0.57 -0.36 0.51 0.00 0.00 0.00 0.00 176.54 177.25 2cui h THR 68 N 0.16 0.66 -3.47 4.70 1.03 -1.90 -3.38 112.91 110.71 2cui h THR 68 Ca 0.52 -0.01 -0.64 0.00 -0.01 0.00 0.00 66.41 66.27 2cui h THR 68 Cb 1.03 0.61 -0.22 0.00 -1.07 0.00 0.00 68.15 68.50 2cui h THR 68 CO -0.69 0.01 -0.64 -0.13 -0.01 0.00 0.00 175.52 174.06 2cui s ARG 69 N -5.04 3.66 -0.69 0.00 0.52 0.24 -5.03 118.95 112.61 2cui s ARG 69 Ca -0.05 -0.49 0.04 0.00 -0.52 0.00 0.00 55.73 54.71 2cui s ARG 69 Cb 0.21 -3.16 0.28 0.00 0.52 0.00 0.00 34.95 32.80 2cui s ARG 69 CO 0.75 -0.02 0.92 0.72 0.02 0.00 0.00 175.30 177.69 2cui n HIS 70 N 4.35 3.54 -3.95 -0.53 8.25 -1.26 -4.31 115.22 121.32 2cui n HIS 70 Ca -0.17 -3.88 -0.10 0.00 -0.26 0.00 0.00 57.72 53.31 2cui n HIS 70 Cb 0.52 -0.65 -0.11 0.00 1.12 0.00 0.00 29.99 30.87 2cui n HIS 70 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2cui s SER 71 N -2.56 0.18 -0.25 0.41 1.04 -1.26 -3.33 113.70 107.91 2cui s SER 71 Ca 0.41 -0.42 -0.10 0.00 0.48 0.00 0.00 55.95 56.31 2cui s SER 71 Cb 0.16 0.14 0.10 0.00 0.10 0.00 0.00 66.02 66.53 2cui s SER 71 CO -0.03 -0.34 0.56 0.00 0.98 0.00 0.00 173.24 174.42 2cui s ALA 72 N -1.55 -1.66 -0.16 5.32 0.00 -1.24 -4.87 121.76 117.59 2cui s ALA 72 Ca -0.15 2.02 0.00 0.00 0.00 0.00 0.00 51.96 53.84 2cui s ALA 72 Cb -0.08 -1.51 0.03 0.00 0.00 0.00 0.00 23.12 21.56 2cui s ALA 72 CO -0.01 -0.73 -0.10 0.08 0.00 0.00 0.00 175.76 175.00 2cui s VAL 73 N 2.49 1.42 0.11 0.00 1.01 -1.26 -0.52 120.40 123.65 2cui s VAL 73 Ca -0.06 -0.70 -0.07 0.00 0.00 0.00 0.00 61.98 61.16 2cui s VAL 73 Cb -0.11 -1.45 -0.06 0.00 0.00 0.00 0.00 36.38 34.77 2cui s VAL 73 CO -0.17 0.29 0.37 -0.76 0.00 0.00 0.00 175.10 174.84 2cui s LEU 74 N 1.52 4.30 0.31 3.92 2.01 -1.20 -4.96 118.68 124.58 2cui s LEU 74 Ca 0.02 0.65 0.03 0.00 0.01 0.00 0.00 54.13 54.85 2cui s LEU 74 Cb -0.14 -3.15 -0.06 0.00 0.01 0.00 0.00 46.19 42.85 2cui s LEU 74 CO -0.09 0.11 0.05 -0.13 1.01 0.00 0.00 176.35 177.30 2cui s ARG 75 N -2.33 1.59 -1.47 1.70 0.52 -1.26 -3.22 118.95 114.48 2cui s ARG 75 Ca 0.37 -1.87 -0.00 0.00 -0.52 0.00 0.00 55.73 53.71 2cui s ARG 75 Cb -0.13 -0.77 0.00 0.00 0.52 0.00 0.00 34.95 34.57 2cui s ARG 75 CO 0.22 -0.19 0.01 -0.25 0.02 0.00 0.00 175.30 175.11 2cui n ASP 76 N -0.63 -5.07 -4.88 0.23 9.92 -1.18 -4.97 116.55 109.96 2cui n ASP 76 Ca -0.02 -0.02 -0.30 0.00 -0.53 0.00 0.00 54.79 53.92 2cui n ASP 76 Cb 0.66 -4.16 -0.03 0.00 -0.64 0.00 0.00 41.12 36.95 2cui n ASP 76 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2cui s LEU 77 N -4.97 3.89 0.57 0.64 1.43 0.56 -5.05 118.68 115.75 2cui s LEU 77 Ca 0.00 1.04 -0.19 0.00 -1.03 0.00 0.00 54.13 53.96 2cui s LEU 77 Cb -0.00 -3.90 -0.04 0.00 0.03 0.00 0.00 46.19 42.27 2cui s LEU 77 CO 0.00 -0.34 1.17 -0.60 0.23 0.00 0.00 176.35 176.81 2cui s ARG 78 N -3.74 3.13 0.13 1.70 3.52 -1.26 -4.34 118.95 118.09 2cui s ARG 78 Ca 0.50 1.71 -0.30 0.00 -0.13 0.00 0.00 55.73 57.51 2cui s ARG 78 Cb -0.10 -1.96 -0.06 0.00 -1.56 0.00 0.00 34.95 31.26 2cui s ARG 78 CO 0.30 -1.05 0.94 -1.54 -0.81 0.00 0.00 175.30 173.15 2cui s SER 79 N -1.72 7.50 -1.27 -2.12 1.04 -1.25 -3.97 113.70 111.91 2cui s SER 79 Ca 0.75 1.79 -0.08 0.00 0.48 0.00 0.00 55.95 58.89 2cui s SER 79 Cb -0.27 -2.58 -0.01 0.00 0.10 0.00 0.00 66.02 63.26 2cui s SER 79 CO 0.31 -0.02 0.65 0.61 0.98 0.00 0.00 173.24 175.77 2cui n GLY 80 N 2.12 -0.54 3.04 7.32 0.00 0.22 -4.84 105.19 112.50 2cui n GLY 80 Ca 0.01 0.27 -0.12 0.00 0.00 0.00 0.00 46.02 46.17 2cui n GLY 80 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2cui s THR 81 N -3.68 0.43 -0.23 2.61 2.01 -1.23 -4.92 115.64 110.62 2cui s THR 81 Ca 0.18 -1.01 -0.20 0.00 0.31 0.00 0.00 61.69 60.97 2cui s THR 81 Cb -0.06 -0.51 -0.02 0.00 0.01 0.00 0.00 72.50 71.92 2cui s THR 81 CO 0.85 -0.40 0.63 -0.22 -0.69 0.00 0.00 174.62 174.79 2cui s LEU 82 N -1.50 4.09 0.00 4.42 1.98 -1.26 -1.36 118.68 125.05 2cui s LEU 82 Ca -0.11 0.76 0.02 0.00 -2.89 0.00 0.00 54.13 51.90 2cui s LEU 82 Cb -0.10 -2.87 -0.04 0.00 0.66 0.00 0.00 46.19 43.85 2cui s LEU 82 CO 0.00 -0.33 -0.01 -0.31 -1.89 0.00 0.00 176.35 173.80 2cui s TYR 83 N 2.27 3.03 -0.44 5.38 2.02 -0.65 -4.59 117.35 124.38 2cui s TYR 83 Ca 0.27 0.05 -0.14 0.00 -0.37 0.00 0.00 57.07 56.88 2cui s TYR 83 Cb -0.16 -1.65 0.06 0.00 -0.40 0.00 0.00 41.96 39.81 2cui s TYR 83 CO 0.09 0.44 0.33 0.45 -1.57 0.00 0.00 175.55 175.30 2cui s SER 84 N -1.53 6.02 -0.03 2.29 0.15 -1.17 -3.23 113.70 116.20 2cui s SER 84 Ca 0.19 -1.22 -0.05 0.00 0.70 0.00 0.00 55.95 55.57 2cui s SER 84 Cb -0.11 -2.13 -0.04 0.00 -1.71 0.00 0.00 66.02 62.02 2cui s SER 84 CO 0.10 -0.56 0.20 -0.76 1.20 0.00 0.00 173.24 173.42 2cui s LEU 85 N 1.61 4.38 -0.21 3.45 1.43 -0.74 -2.76 118.68 125.83 2cui s LEU 85 Ca 0.04 0.46 -0.04 0.00 -1.03 0.00 0.00 54.13 53.56 2cui s LEU 85 Cb -0.22 -2.50 0.10 0.00 0.03 0.00 0.00 46.19 43.60 2cui s LEU 85 CO 0.07 0.30 0.27 -0.89 0.23 0.00 0.00 176.35 176.32 2cui s THR 86 N -1.24 -0.41 0.31 5.49 2.01 -0.91 -0.68 115.64 120.21 2cui s THR 86 Ca 0.24 -0.10 -0.14 0.00 0.31 0.00 0.00 61.69 62.00 2cui s THR 86 Cb -0.13 -0.72 -0.09 0.00 0.01 0.00 0.00 72.50 71.58 2cui s THR 86 CO 0.14 -0.18 0.72 -0.22 -0.69 0.00 0.00 174.62 174.39 2cui s LEU 87 N 2.39 4.08 -0.20 4.42 2.96 -0.67 -1.41 118.68 130.24 2cui s LEU 87 Ca 0.09 1.24 -0.01 0.00 -0.22 0.00 0.00 54.13 55.23 2cui s LEU 87 Cb -0.16 -4.03 0.06 0.00 0.50 0.00 0.00 46.19 42.56 2cui s LEU 87 CO -0.13 -0.19 -0.01 -0.31 -1.32 0.00 0.00 176.35 174.39 2cui s TYR 88 N -1.96 1.59 -1.12 5.38 2.02 -0.83 -1.57 117.35 120.85 2cui s TYR 88 Ca 0.53 -1.19 -0.22 0.00 -0.37 0.00 0.00 57.07 55.82 2cui s TYR 88 Cb -0.10 -1.25 -0.04 0.00 -0.40 0.00 0.00 41.96 40.16 2cui s TYR 88 CO 0.18 -0.66 1.86 0.20 -1.57 0.00 0.00 175.55 175.56 2cui s GLY 89 N 1.67 0.51 -0.34 0.71 0.00 -0.20 -1.91 107.32 107.75 2cui s GLY 89 Ca -0.02 -2.13 -0.28 0.00 0.00 0.00 0.00 44.72 42.28 2cui s GLY 89 CO -0.07 3.33 1.81 1.08 0.00 0.00 0.00 173.10 179.24 2cui s LEU 90 N 9.13 3.50 0.00 0.66 2.01 -0.35 -0.97 118.68 132.66 2cui s LEU 90 Ca 0.64 1.26 0.18 0.00 0.01 0.00 0.00 54.13 56.23 2cui s LEU 90 Cb -0.01 -3.46 0.64 0.00 0.01 0.00 0.00 46.19 43.36 2cui s LEU 90 CO 0.07 -1.74 1.47 -2.11 1.01 0.00 0.00 176.35 175.05 2cui n ARG 91 N 8.46 1.74 0.00 1.70 -4.01 -1.20 0.11 116.66 123.47 2cui n ARG 91 Ca 0.23 -1.13 0.00 0.00 -1.04 0.00 0.00 57.85 55.91 2cui n ARG 91 Cb 0.47 -1.36 0.00 0.00 -3.04 0.00 0.00 32.46 28.53 2cui n ARG 91 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 2cui n GLY 92 N 1.11 -0.20 0.25 2.89 0.00 -1.26 -4.45 105.19 103.54 2cui n GLY 92 Ca 0.15 -0.05 -0.11 0.00 0.00 0.00 0.00 46.02 46.01 2cui n GLY 92 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cui h PRO 93 N 0.00 0.81 -5.77 1.61 0.13 -2.02 -3.45 132.00 123.31 2cui h PRO 93 Ca 0.00 -0.43 -0.49 0.00 -0.87 0.00 0.00 66.00 64.21 2cui h PRO 93 Cb 0.00 0.02 -0.16 0.00 0.13 0.00 0.00 31.00 30.99 2cui h PRO 93 CO 0.00 1.06 -0.75 -1.01 -0.23 0.00 0.00 178.00 177.07 2cui s HIS 94 N -4.33 1.82 0.28 1.56 3.76 -1.26 -5.12 115.29 112.00 2cui s HIS 94 Ca -0.10 -0.51 -0.29 0.00 -0.15 0.00 0.00 55.06 54.01 2cui s HIS 94 Cb 0.11 -0.86 -0.10 0.00 1.11 0.00 0.00 32.58 32.85 2cui s HIS 94 CO 0.86 0.39 1.19 -1.59 -0.85 0.00 0.00 174.74 174.75 2cui s LYS 95 N -3.32 4.51 -0.16 1.40 -2.85 -1.26 -3.23 119.74 114.83 2cui s LYS 95 Ca 0.21 1.96 -0.13 0.00 -1.00 0.00 0.00 55.97 57.02 2cui s LYS 95 Cb -0.03 -3.16 -0.07 0.00 -2.06 0.00 0.00 37.83 32.51 2cui s LYS 95 CO 0.08 0.02 -0.13 0.00 0.10 0.00 0.00 175.35 175.41 2cui n ALA 96 N 1.32 0.58 -2.58 0.59 0.00 -0.14 -4.86 120.51 115.42 2cui n ALA 96 Ca 0.00 -0.50 -0.27 0.00 0.00 0.00 0.00 53.44 52.68 2cui n ALA 96 Cb 0.44 -0.09 -0.09 0.00 0.00 0.00 0.00 19.45 19.70 2cui n ALA 96 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 2cui s ASP 97 N -6.03 3.24 -0.28 0.00 -4.77 -1.22 -4.97 116.67 102.63 2cui s ASP 97 Ca -0.20 -1.51 -0.12 0.00 -3.30 0.00 0.00 52.55 47.43 2cui s ASP 97 Cb 0.03 0.12 0.11 0.00 -1.09 0.00 0.00 42.92 42.09 2cui s ASP 97 CO 0.32 -0.70 0.64 -0.94 0.70 0.00 0.00 175.17 175.19 2cui s SER 98 N -3.66 -1.01 0.28 2.11 1.04 -1.26 -1.04 113.70 110.17 2cui s SER 98 Ca 0.26 1.50 0.09 0.00 0.48 0.00 0.00 55.95 58.28 2cui s SER 98 Cb 0.06 1.90 -0.04 0.00 0.10 0.00 0.00 66.02 68.04 2cui s SER 98 CO 0.13 -0.23 0.04 -0.51 0.98 0.00 0.00 173.24 173.65 2cui s ILE 99 N 2.42 3.39 -0.13 -1.02 2.07 -0.61 -4.96 121.20 122.37 2cui s ILE 99 Ca -0.07 -1.83 0.03 0.00 -1.41 0.00 0.00 60.65 57.36 2cui s ILE 99 Cb -0.10 -2.91 0.01 0.00 0.13 0.00 0.00 42.46 39.59 2cui s ILE 99 CO -0.19 -0.33 -0.22 -1.10 -1.91 0.00 0.00 174.94 171.20 2cui s GLN 100 N -3.72 2.93 -0.15 3.50 1.11 -1.26 -1.68 119.66 120.38 2cui s GLN 100 Ca 0.33 -0.82 -0.00 0.00 0.01 0.00 0.00 55.36 54.87 2cui s GLN 100 Cb -0.05 -2.33 0.04 0.00 -1.01 0.00 0.00 33.01 29.65 2cui s GLN 100 CO 0.21 0.03 -0.06 0.20 0.01 0.00 0.00 175.29 175.68 2cui s GLY 101 N 0.71 0.92 0.06 3.09 0.00 0.14 -4.83 107.32 107.41 2cui s GLY 101 Ca -0.10 -0.75 -0.05 0.00 0.00 0.00 0.00 44.72 43.82 2cui s GLY 101 CO 0.01 0.89 0.29 -0.51 0.00 0.00 0.00 173.10 173.78 2cui s THR 102 N 1.65 5.28 -0.15 0.90 -4.23 -1.26 -1.79 115.64 116.04 2cui s THR 102 Ca 0.02 0.01 -0.28 0.00 -1.18 0.00 0.00 61.69 60.26 2cui s THR 102 Cb -0.14 -3.60 0.08 0.00 1.34 0.00 0.00 72.50 70.18 2cui s THR 102 CO -0.08 0.22 0.73 0.00 -0.54 0.00 0.00 174.62 174.96 2cui s ALA 103 N -1.45 -1.80 -0.30 3.99 0.00 -1.20 -4.80 121.76 116.21 2cui s ALA 103 Ca 0.33 1.62 -0.05 0.00 0.00 0.00 0.00 51.96 53.86 2cui s ALA 103 Cb -0.13 -0.54 0.02 0.00 0.00 0.00 0.00 23.12 22.47 2cui s ALA 103 CO 0.21 -0.35 0.05 0.50 0.00 0.00 0.00 175.76 176.17 2cui s ARG 104 N -0.55 2.86 0.76 0.00 3.52 -1.26 -1.63 118.95 122.65 2cui s ARG 104 Ca -0.06 -1.00 -0.14 0.00 -0.13 0.00 0.00 55.73 54.40 2cui s ARG 104 Cb -0.02 -3.30 0.06 0.00 -1.56 0.00 0.00 34.95 30.12 2cui s ARG 104 CO 0.05 -0.51 1.21 0.95 -0.81 0.00 0.00 175.30 176.20 2cui s THR 105 N 1.42 2.19 0.73 4.11 -4.23 -0.46 -4.86 115.64 114.53 2cui s THR 105 Ca 0.00 0.09 -0.11 0.00 -1.18 0.00 0.00 61.69 60.49 2cui s THR 105 Cb -0.18 -2.61 0.03 0.00 1.34 0.00 0.00 72.50 71.08 2cui s THR 105 CO 0.01 -0.05 1.08 -0.76 -0.54 0.00 0.00 174.62 174.35 2cui s LEU 106 N -5.36 2.90 -0.36 4.79 1.43 -0.63 -2.87 118.68 118.57 2cui s LEU 106 Ca 0.74 1.38 -0.02 0.00 -1.03 0.00 0.00 54.13 55.21 2cui s LEU 106 Cb -0.29 -4.17 0.09 0.00 0.03 0.00 0.00 46.19 41.85 2cui s LEU 106 CO 0.47 -1.55 0.11 -0.94 0.23 0.00 0.00 176.35 174.67 2cui s SER 107 N -3.99 5.08 0.22 2.29 1.04 -1.26 -0.61 113.70 116.46 2cui s SER 107 Ca 0.59 -1.77 0.09 0.00 0.48 0.00 0.00 55.95 55.34 2cui s SER 107 Cb -0.13 -1.77 -0.04 0.00 0.10 0.00 0.00 66.02 64.18 2cui s SER 107 CO 0.54 -0.42 -0.08 -0.83 0.98 0.00 0.00 173.24 173.43 2cui s GLY 108 N 1.52 1.72 0.08 7.32 0.00 -1.26 -4.93 107.32 111.76 2cui s GLY 108 Ca 0.04 -1.56 -0.31 0.00 0.00 0.00 0.00 44.72 42.89 2cui s GLY 108 CO -0.03 -1.60 1.39 2.56 0.00 0.00 0.00 173.10 175.41 2cui s PRO 109 N -3.15 4.32 0.06 2.90 0.04 -1.26 -5.02 135.00 132.89 2cui s PRO 109 Ca 0.27 2.03 -0.10 0.00 0.04 0.00 0.00 61.00 63.25 2cui s PRO 109 Cb -0.08 -3.36 0.00 0.00 0.04 0.00 0.00 34.50 31.11 2cui s PRO 109 CO 0.17 -0.47 0.21 -1.12 0.04 0.00 0.00 177.00 175.82 2cui s SER 110 N 1.36 0.04 0.26 6.66 0.01 -1.26 -5.15 113.70 115.62 2cui s SER 110 Ca 0.64 -0.45 -0.29 0.00 1.31 0.00 0.00 55.95 57.16 2cui s SER 110 Cb -0.35 0.32 -0.09 0.00 0.21 0.00 0.00 66.02 66.11 2cui s SER 110 CO 0.29 -0.63 1.16 -0.55 0.41 0.00 0.00 173.24 173.93 2cui s SER 111 N -2.38 7.13 0.00 2.44 0.15 -1.26 -5.28 113.70 114.50 2cui s SER 111 Ca -0.01 2.33 0.00 0.00 0.70 0.00 0.00 55.95 58.96 2cui s SER 111 Cb 0.01 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.70 2cui s SER 111 CO -0.07 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 174.71