#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cui s SER 2 N 0.00 1.61 0.57 1.61 1.04 -1.26 -5.15 113.70 112.12 2cui s SER 2 Ca 0.00 -0.28 0.00 0.00 0.48 0.00 0.00 55.95 56.15 2cui s SER 2 Cb 0.00 0.17 0.04 0.00 0.10 0.00 0.00 66.02 66.33 2cui s SER 2 CO 0.00 -0.32 0.81 -0.94 0.98 0.00 0.00 173.24 173.77 2cui s SER 3 N 2.26 5.21 -0.53 7.02 1.04 -1.26 -4.96 113.70 122.49 2cui s SER 3 Ca 0.05 0.06 -0.28 0.00 0.48 0.00 0.00 55.95 56.26 2cui s SER 3 Cb -0.15 -0.92 -0.10 0.00 0.10 0.00 0.00 66.02 64.95 2cui s SER 3 CO -0.10 -1.21 2.42 0.61 0.98 0.00 0.00 173.24 175.94 2cui n GLY 4 N -2.43 0.19 3.91 7.32 0.00 -1.26 -4.93 105.19 108.00 2cui n GLY 4 Ca 0.08 0.77 -0.28 0.00 0.00 0.00 0.00 46.02 46.60 2cui n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cui s SER 5 N 10.87 4.99 -0.43 1.61 1.04 -1.26 -5.04 113.70 125.47 2cui s SER 5 Ca 1.06 0.71 -0.13 0.00 0.48 0.00 0.00 55.95 58.06 2cui s SER 5 Cb -0.43 -1.41 0.06 0.00 0.10 0.00 0.00 66.02 64.34 2cui s SER 5 CO 0.33 -1.53 0.32 -0.44 0.98 0.00 0.00 173.24 172.89 2cui s SER 6 N -4.47 5.97 -0.18 7.02 0.01 -1.26 -5.06 113.70 115.73 2cui s SER 6 Ca 0.59 -1.22 -0.13 0.00 1.31 0.00 0.00 55.95 56.50 2cui s SER 6 Cb -0.11 -2.11 -0.05 0.00 0.21 0.00 0.00 66.02 63.96 2cui s SER 6 CO 0.47 -0.54 0.26 -0.83 0.41 0.00 0.00 173.24 173.01 2cui s GLY 7 N 2.14 2.14 -0.13 3.44 0.00 -1.26 -4.96 107.32 108.69 2cui s GLY 7 Ca 0.04 -0.56 -0.07 0.00 0.00 0.00 0.00 44.72 44.13 2cui s GLY 7 CO 0.06 0.41 -0.17 1.44 0.00 0.00 0.00 173.10 174.85 2cui n SER 8 N 3.74 0.92 -4.93 1.64 7.64 -1.26 -5.04 113.62 116.33 2cui n SER 8 Ca -0.13 0.16 -0.25 0.00 1.01 0.00 0.00 58.87 59.66 2cui n SER 8 Cb 0.52 -0.38 -0.02 0.00 -1.01 0.00 0.00 64.21 63.32 2cui n SER 8 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2cui s ARG 9 N -2.24 3.51 0.36 1.43 3.00 -1.26 -5.07 118.95 118.68 2cui s ARG 9 Ca -0.18 -0.30 -0.27 0.00 0.00 0.00 0.00 55.73 54.98 2cui s ARG 9 Cb 0.07 -2.70 -0.09 0.00 0.00 0.00 0.00 34.95 32.23 2cui s ARG 9 CO 0.23 0.21 1.20 -1.25 0.00 0.00 0.00 175.30 175.69 2cui s PRO 10 N -4.03 4.22 0.25 3.54 0.04 -1.26 -5.05 135.00 132.71 2cui s PRO 10 Ca 0.40 1.96 0.05 0.00 0.04 0.00 0.00 61.00 63.45 2cui s PRO 10 Cb -0.10 -2.87 -0.05 0.00 0.04 0.00 0.00 34.50 31.51 2cui s PRO 10 CO 0.34 -0.21 -0.04 1.03 0.04 0.00 0.00 177.00 178.16 2cui s ARG 11 N -2.02 1.42 0.32 4.56 1.81 -1.26 -4.71 118.95 119.08 2cui s ARG 11 Ca 0.53 -1.71 -0.00 0.00 -1.72 0.00 0.00 55.73 52.83 2cui s ARG 11 Cb -0.34 -0.87 -0.04 0.00 -0.45 0.00 0.00 34.95 33.26 2cui s ARG 11 CO 0.44 -0.02 0.53 -0.51 -0.68 0.00 0.00 175.30 175.05 2cui s LEU 12 N -3.36 4.05 0.61 2.53 1.43 -1.26 -4.65 118.68 118.02 2cui s LEU 12 Ca 0.28 0.46 0.08 0.00 -1.03 0.00 0.00 54.13 53.93 2cui s LEU 12 Cb 0.05 -3.31 0.10 0.00 0.03 0.00 0.00 46.19 43.05 2cui s LEU 12 CO 0.10 -0.25 0.84 -0.55 0.23 0.00 0.00 176.35 176.71 2cui s SER 13 N -3.85 4.94 -0.24 2.29 0.15 -0.95 -5.00 113.70 111.04 2cui s SER 13 Ca 0.40 -0.82 -0.30 0.00 0.70 0.00 0.00 55.95 55.94 2cui s SER 13 Cb -0.10 0.34 -0.07 0.00 -1.71 0.00 0.00 66.02 64.48 2cui s SER 13 CO 0.34 -1.47 2.21 0.00 1.20 0.00 0.00 173.24 175.53 2cui n GLN 14 N -2.36 1.78 -2.83 5.44 0.00 -1.26 -4.68 117.38 113.47 2cui n GLN 14 Ca 0.16 0.49 -0.43 0.00 0.00 0.00 0.00 57.00 57.23 2cui n GLN 14 Cb 0.62 -3.06 -0.04 0.00 0.00 0.00 0.00 30.24 27.76 2cui n GLN 14 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 2cui s LEU 15 N 8.00 4.12 0.26 2.61 2.96 -1.26 -4.65 118.68 130.71 2cui s LEU 15 Ca 1.03 -0.51 0.07 0.00 -0.22 0.00 0.00 54.13 54.50 2cui s LEU 15 Cb -0.46 -2.72 -0.04 0.00 0.50 0.00 0.00 46.19 43.48 2cui s LEU 15 CO 0.39 -1.31 0.21 -0.44 -1.32 0.00 0.00 176.35 173.87 2cui s SER 16 N 3.09 5.52 -0.17 3.68 0.01 -1.17 -4.67 113.70 119.99 2cui s SER 16 Ca 0.29 -0.26 -0.02 0.00 1.31 0.00 0.00 55.95 57.27 2cui s SER 16 Cb -0.13 -1.39 -0.01 0.00 0.21 0.00 0.00 66.02 64.70 2cui s SER 16 CO 0.17 -0.06 -0.10 -0.69 0.41 0.00 0.00 173.24 172.97 2cui s VAL 17 N -2.14 3.16 0.45 3.43 1.01 -1.26 -2.32 120.40 122.73 2cui s VAL 17 Ca 0.33 -0.60 0.05 0.00 0.00 0.00 0.00 61.98 61.77 2cui s VAL 17 Cb -0.08 -2.38 -0.05 0.00 0.00 0.00 0.00 36.38 33.88 2cui s VAL 17 CO 0.25 0.48 0.06 0.42 0.00 0.00 0.00 175.10 176.31 2cui s THR 18 N 0.86 1.75 -1.45 3.92 -4.23 0.05 -4.72 115.64 111.82 2cui s THR 18 Ca -0.03 -1.92 -0.13 0.00 -1.18 0.00 0.00 61.69 58.43 2cui s THR 18 Cb -0.15 -2.68 0.10 0.00 1.34 0.00 0.00 72.50 71.11 2cui s THR 18 CO 0.01 0.00 0.68 0.47 -0.54 0.00 0.00 174.62 175.23 2cui n ASP 19 N -1.16 -3.91 -4.45 3.99 8.00 -1.26 -1.30 116.55 116.46 2cui n ASP 19 Ca -0.09 -0.63 -0.46 0.00 0.71 0.00 0.00 54.79 54.32 2cui n ASP 19 Cb 0.66 -3.20 -0.11 0.00 -0.02 0.00 0.00 41.12 38.46 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 -4.22 0.03 -2.44 2.53 0.31 -1.26 -4.39 118.33 108.88 2cui n VAL 20 Ca 0.02 -0.20 -0.27 0.00 -0.01 0.00 0.00 64.34 63.88 2cui n VAL 20 Cb 0.52 -1.16 0.02 0.00 -0.91 0.00 0.00 33.84 32.31 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 8.61 4.29 0.22 2.52 2.01 0.57 -4.69 115.64 129.17 2cui s THR 21 Ca 1.20 0.18 -0.08 0.00 0.31 0.00 0.00 61.69 63.30 2cui s THR 21 Cb -1.03 -3.67 0.17 0.00 0.01 0.00 0.00 72.50 67.98 2cui s THR 21 CO 0.48 -0.70 1.73 0.71 -0.69 0.00 0.00 174.62 176.15 2cui h THR 22 N -0.03 0.71 0.00 -0.82 1.35 -1.91 -2.98 112.91 109.23 2cui h THR 22 Ca -0.46 -0.13 0.00 0.00 -0.55 0.00 0.00 66.41 65.27 2cui h THR 22 Cb 1.23 0.30 0.00 0.00 -1.73 0.00 0.00 68.15 67.94 2cui h THR 22 CO 0.61 0.07 -0.16 -1.54 -0.25 0.00 0.00 175.52 174.25 2cui n SER 23 N -5.03 1.40 -2.90 5.36 3.41 -1.26 -3.26 113.62 111.34 2cui n SER 23 Ca 0.10 -2.48 -0.12 0.00 -0.26 0.00 0.00 58.87 56.12 2cui n SER 23 Cb 0.32 -0.28 0.00 0.00 -0.26 0.00 0.00 64.21 63.99 2cui n SER 23 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2cui n SER 24 N -0.78 -1.94 -3.54 4.04 3.41 -1.16 -0.69 113.62 112.96 2cui n SER 24 Ca 0.08 -2.75 -0.01 0.00 -0.26 0.00 0.00 58.87 55.93 2cui n SER 24 Cb 0.61 3.34 0.01 0.00 -0.26 0.00 0.00 64.21 67.91 2cui n SER 24 CO 0.00 0.00 0.00 -1.48 -0.16 0.00 0.00 175.04 173.40 2cui s LEU 25 N 0.00 -0.00 0.10 1.04 0.05 -1.21 0.21 118.68 118.87 2cui s LEU 25 Ca 0.22 -0.48 0.07 0.00 0.05 0.00 0.00 54.13 53.99 2cui s LEU 25 Cb -0.03 1.79 -0.03 0.00 -2.05 0.00 0.00 46.19 45.86 2cui s LEU 25 CO 0.16 -0.72 -0.19 -0.60 -0.55 0.00 0.00 176.35 174.45 2cui s ARG 26 N -2.16 1.06 0.25 1.48 3.52 -0.42 -3.03 118.95 119.65 2cui s ARG 26 Ca 0.24 -1.13 0.11 0.00 -0.13 0.00 0.00 55.73 54.82 2cui s ARG 26 Cb -0.01 -1.25 -0.05 0.00 -1.56 0.00 0.00 34.95 32.08 2cui s ARG 26 CO 0.03 0.29 -0.15 -0.51 -0.81 0.00 0.00 175.30 174.14 2cui s LEU 27 N -1.92 2.74 -0.23 -0.88 1.43 0.28 -0.77 118.68 119.32 2cui s LEU 27 Ca 0.05 -0.86 -0.07 0.00 -1.03 0.00 0.00 54.13 52.22 2cui s LEU 27 Cb -0.10 -1.32 0.11 0.00 0.03 0.00 0.00 46.19 44.92 2cui s LEU 27 CO 0.04 0.06 0.48 0.20 0.23 0.00 0.00 176.35 177.36 2cui s ASN 28 N -3.30 -0.50 0.03 2.29 0.01 -0.98 -3.61 114.94 108.88 2cui s ASN 28 Ca 0.28 1.08 0.02 0.00 -0.71 0.00 0.00 52.86 53.53 2cui s ASN 28 Cb -0.06 1.62 -0.02 0.00 0.41 0.00 0.00 41.25 43.20 2cui s ASN 28 CO 0.15 -0.24 -0.07 -1.66 -1.51 0.00 0.00 177.10 173.77 2cui s TRP 29 N 2.69 0.63 -0.16 2.20 -2.14 -1.20 -3.04 118.94 117.92 2cui s TRP 29 Ca -0.01 -0.37 -0.08 0.00 2.66 0.00 0.00 56.10 58.31 2cui s TRP 29 Cb -0.12 -0.38 -0.04 0.00 -3.10 0.00 0.00 33.47 29.82 2cui s TRP 29 CO -0.15 -0.06 0.11 -2.00 -2.66 0.00 0.00 176.95 172.19 2cui s GLU 30 N -1.12 3.78 -0.03 3.25 2.12 -1.26 -4.66 118.70 120.78 2cui s GLU 30 Ca -0.06 -0.23 -0.05 0.00 0.36 0.00 0.00 54.97 54.99 2cui s GLU 30 Cb -0.07 -3.24 0.01 0.00 0.26 0.00 0.00 34.13 31.08 2cui s GLU 30 CO 0.00 0.50 0.12 0.00 -0.54 0.00 0.00 175.26 175.34 2cui s ALA 31 N -0.23 -0.28 0.95 6.30 0.00 -1.26 -2.23 121.76 125.01 2cui s ALA 31 Ca 0.10 0.13 -0.12 0.00 0.00 0.00 0.00 51.96 52.07 2cui s ALA 31 Cb -0.12 -0.08 0.16 0.00 0.00 0.00 0.00 23.12 23.08 2cui s ALA 31 CO 0.01 -0.11 1.09 -1.25 0.00 0.00 0.00 175.76 175.50 2cui s PRO 32 N -0.50 0.79 0.60 0.00 0.04 -1.26 -5.01 135.00 129.66 2cui s PRO 32 Ca -0.06 0.66 -0.17 0.00 0.04 0.00 0.00 61.00 61.47 2cui s PRO 32 Cb -0.04 -1.77 -0.03 0.00 0.04 0.00 0.00 34.50 32.71 2cui s PRO 32 CO 0.00 -2.52 1.12 -1.25 0.04 0.00 0.00 177.00 174.40 2cui s PRO 33 N -4.95 3.07 -0.79 0.56 0.04 -1.26 -3.27 135.00 128.40 2cui s PRO 33 Ca 0.64 1.50 -0.02 0.00 0.04 0.00 0.00 61.00 63.16 2cui s PRO 33 Cb -0.18 -1.98 0.02 0.00 0.04 0.00 0.00 34.50 32.40 2cui s PRO 33 CO 0.57 -1.05 0.10 0.41 0.04 0.00 0.00 177.00 177.07 2cui n GLY 34 N -0.19 -0.49 0.02 0.56 0.00 -1.26 -4.85 105.19 98.97 2cui n GLY 34 Ca 0.11 0.02 -0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 0.00 -3.15 4.61 0.00 -1.94 -3.49 119.26 116.29 2cui h ALA 35 Ca -0.23 -0.04 -0.47 0.00 0.00 0.00 0.00 54.91 54.17 2cui h ALA 35 Cb 1.17 0.02 -0.19 0.00 0.00 0.00 0.00 17.79 18.78 2cui h ALA 35 CO 0.28 0.02 -0.78 -0.06 0.00 0.00 0.00 179.25 178.71 2cui s PHE 36 N -1.21 1.54 0.07 0.00 0.40 -1.26 -4.78 117.98 112.74 2cui s PHE 36 Ca -0.01 -0.49 -0.17 0.00 -0.60 0.00 0.00 56.93 55.66 2cui s PHE 36 Cb 0.00 -0.82 -0.12 0.00 0.51 0.00 0.00 43.02 42.60 2cui s PHE 36 CO 0.01 0.18 1.37 -0.44 0.70 0.00 0.00 175.22 177.04 2cui h ASP 37 N 3.70 0.58 -3.86 1.36 5.19 0.44 -3.35 116.42 120.48 2cui h ASP 37 Ca -0.42 -0.49 -0.25 0.00 -0.62 0.00 0.00 57.03 55.25 2cui h ASP 37 Cb 1.19 -0.17 -0.06 0.00 0.18 0.00 0.00 39.33 40.48 2cui h ASP 37 CO 0.47 0.96 -0.09 -1.54 -3.12 0.00 0.00 179.24 175.92 2cui n SER 38 N -4.38 -1.50 -3.88 6.45 3.41 -0.98 -2.94 113.62 109.80 2cui n SER 38 Ca -0.05 -2.86 -0.25 0.00 -0.26 0.00 0.00 58.87 55.45 2cui n SER 38 Cb 0.44 2.73 -0.17 0.00 -0.26 0.00 0.00 64.21 66.95 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 -2.82 1.23 -0.42 7.33 0.08 0.37 -1.78 117.98 121.97 2cui s PHE 39 Ca 0.27 -0.55 -0.09 0.00 0.12 0.00 0.00 56.93 56.68 2cui s PHE 39 Cb -0.02 -1.08 0.08 0.00 -0.57 0.00 0.00 43.02 41.44 2cui s PHE 39 CO 0.20 -0.43 0.26 -1.17 -0.10 0.00 0.00 175.22 173.98 2cui s LEU 40 N 1.62 5.16 -0.13 -0.37 2.96 -0.83 -2.35 118.68 124.74 2cui s LEU 40 Ca 0.02 -1.49 -0.19 0.00 -0.22 0.00 0.00 54.13 52.25 2cui s LEU 40 Cb -0.13 -1.99 -0.04 0.00 0.50 0.00 0.00 46.19 44.53 2cui s LEU 40 CO -0.06 -0.54 0.52 -0.22 -1.32 0.00 0.00 176.35 174.74 2cui s LEU 41 N 1.43 4.25 -0.21 -0.68 2.96 -1.04 -1.39 118.68 124.00 2cui s LEU 41 Ca 0.03 0.84 0.02 0.00 -0.22 0.00 0.00 54.13 54.79 2cui s LEU 41 Cb -0.23 -2.76 0.04 0.00 0.50 0.00 0.00 46.19 43.74 2cui s LEU 41 CO 0.02 -0.07 -0.14 -0.13 -1.32 0.00 0.00 176.35 174.71 2cui s ARG 42 N 0.93 2.47 -0.21 1.98 0.52 -0.14 -1.95 118.95 122.55 2cui s ARG 42 Ca 0.27 -1.01 -0.02 0.00 -0.52 0.00 0.00 55.73 54.45 2cui s ARG 42 Cb -0.16 -2.63 0.00 0.00 0.52 0.00 0.00 34.95 32.69 2cui s ARG 42 CO 0.11 -0.39 -0.10 -0.59 0.02 0.00 0.00 175.30 174.36 2cui s PHE 43 N 1.26 2.90 0.13 -0.53 -0.71 -1.24 -1.41 117.98 118.37 2cui s PHE 43 Ca -0.01 -1.19 0.06 0.00 -1.04 0.00 0.00 56.93 54.75 2cui s PHE 43 Cb -0.16 -2.04 -0.04 0.00 -1.21 0.00 0.00 43.02 39.57 2cui s PHE 43 CO -0.09 -0.64 -0.15 0.20 -1.34 0.00 0.00 175.22 173.20 2cui s GLY 44 N 1.41 1.14 -0.45 1.99 0.00 -1.04 -4.53 107.32 105.85 2cui s GLY 44 Ca 0.05 -1.34 -0.28 0.00 0.00 0.00 0.00 44.72 43.15 2cui s GLY 44 CO -0.07 -1.40 1.09 0.14 0.00 0.00 0.00 173.10 172.87 2cui s VAL 45 N -2.15 4.30 -0.22 1.40 1.01 -1.26 -2.99 120.40 120.49 2cui s VAL 45 Ca 0.11 1.23 -0.29 0.00 0.00 0.00 0.00 61.98 63.03 2cui s VAL 45 Cb -0.05 -4.54 -0.03 0.00 0.00 0.00 0.00 36.38 31.76 2cui s VAL 45 CO 0.04 -0.89 1.61 -2.16 0.00 0.00 0.00 175.10 173.70 2cui s PRO 46 N 4.20 3.80 -0.21 2.72 0.04 -1.26 -5.00 135.00 139.30 2cui s PRO 46 Ca 0.46 1.66 -0.09 0.00 0.04 0.00 0.00 61.00 63.06 2cui s PRO 46 Cb -0.08 -4.03 -0.05 0.00 0.04 0.00 0.00 34.50 30.38 2cui s PRO 46 CO 0.28 -1.28 0.12 -1.54 0.04 0.00 0.00 177.00 174.61 2cui s SER 47 N 4.18 5.96 0.89 6.66 1.04 -1.26 -5.09 113.70 126.09 2cui s SER 47 Ca 0.71 0.13 -0.11 0.00 0.48 0.00 0.00 55.95 57.16 2cui s SER 47 Cb -0.25 -2.05 0.13 0.00 0.10 0.00 0.00 66.02 63.95 2cui s SER 47 CO 0.29 0.14 1.09 -2.16 0.98 0.00 0.00 173.24 173.58 2cui s PRO 48 N 0.62 1.30 -0.07 4.02 0.04 -1.26 -4.96 135.00 134.68 2cui s PRO 48 Ca 0.06 0.84 0.20 0.00 0.04 0.00 0.00 61.00 62.14 2cui s PRO 48 Cb -0.12 -1.81 0.70 0.00 0.04 0.00 0.00 34.50 33.31 2cui s PRO 48 CO 0.01 -2.22 1.60 0.45 0.04 0.00 0.00 177.00 176.88 2cui n SER 49 N -3.87 4.49 -0.08 6.66 2.88 -1.26 -4.19 113.62 118.24 2cui n SER 49 Ca 0.07 -2.29 -0.09 0.00 -1.33 0.00 0.00 58.87 55.23 2cui n SER 49 Cb 0.55 -0.55 -0.12 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 1.34 1.13 -3.36 2.46 5.66 -1.26 -4.99 114.28 115.26 2cui n THR 50 Ca 0.26 -0.65 -0.31 0.00 -3.05 0.00 0.00 64.05 60.30 2cui n THR 50 Cb 0.80 -0.69 -0.05 0.00 -1.55 0.00 0.00 70.33 68.84 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 -5.38 4.12 0.33 1.09 2.96 -1.26 -5.06 118.68 115.47 2cui s LEU 51 Ca -0.12 0.89 -0.27 0.00 -0.22 0.00 0.00 54.13 54.41 2cui s LEU 51 Cb 0.05 -3.67 -0.09 0.00 0.50 0.00 0.00 46.19 42.98 2cui s LEU 51 CO 0.63 -0.12 1.07 -1.83 -1.32 0.00 0.00 176.35 174.77 2cui s GLU 52 N -3.05 4.44 0.67 1.98 -1.05 -1.26 -4.92 118.70 115.51 2cui s GLU 52 Ca 0.47 1.65 -0.15 0.00 -0.15 0.00 0.00 54.97 56.79 2cui s GLU 52 Cb -0.11 -2.91 0.00 0.00 -0.44 0.00 0.00 34.13 30.68 2cui s GLU 52 CO 0.24 0.08 1.11 -1.25 0.95 0.00 0.00 175.26 176.38 2cui s PRO 53 N -1.89 2.77 0.05 -4.83 0.04 -1.26 -5.06 135.00 124.81 2cui s PRO 53 Ca 0.50 1.38 0.09 0.00 0.04 0.00 0.00 61.00 63.01 2cui s PRO 53 Cb -0.27 -1.95 -0.03 0.00 0.04 0.00 0.00 34.50 32.29 2cui s PRO 53 CO 0.34 -1.27 -0.26 -1.01 0.04 0.00 0.00 177.00 174.84 2cui s HIS 54 N -2.37 2.33 -2.00 0.56 3.76 -1.26 -5.00 115.29 111.30 2cui s HIS 54 Ca 0.67 -0.41 0.12 0.00 -0.15 0.00 0.00 55.06 55.29 2cui s HIS 54 Cb -0.20 -1.39 0.69 0.00 1.11 0.00 0.00 32.58 32.79 2cui s HIS 54 CO 0.42 0.14 1.12 -0.35 -0.85 0.00 0.00 174.74 175.22 2cui n PRO 55 N 1.73 0.48 -2.23 8.40 -0.04 -1.26 -4.76 135.00 137.32 2cui n PRO 55 Ca -0.17 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.87 2cui n PRO 55 Cb 0.52 -1.37 -0.03 0.00 -0.04 0.00 0.00 33.50 32.58 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 -2.00 4.25 0.16 0.54 3.52 -1.26 -4.98 118.95 119.18 2cui s ARG 56 Ca 0.17 1.93 -0.31 0.00 -0.13 0.00 0.00 55.73 57.40 2cui s ARG 56 Cb 0.08 -3.72 -0.08 0.00 -1.56 0.00 0.00 34.95 29.67 2cui s ARG 56 CO 0.13 -0.67 1.33 -1.25 -0.81 0.00 0.00 175.30 174.04 2cui s PRO 57 N 3.05 4.37 -0.34 5.12 0.04 -1.26 -5.01 135.00 140.96 2cui s PRO 57 Ca 0.64 2.04 -0.01 0.00 0.04 0.00 0.00 61.00 63.71 2cui s PRO 57 Cb -0.29 -3.22 0.08 0.00 0.04 0.00 0.00 34.50 31.10 2cui s PRO 57 CO 0.24 -0.32 0.07 -0.48 0.04 0.00 0.00 177.00 176.55 2cui s LEU 58 N 0.42 4.47 0.11 -3.56 2.34 -1.26 -5.09 118.68 116.10 2cui s LEU 58 Ca 0.60 -1.70 -0.30 0.00 0.06 0.00 0.00 54.13 52.79 2cui s LEU 58 Cb -0.36 -1.72 -0.06 0.00 -0.56 0.00 0.00 46.19 43.49 2cui s LEU 58 CO 0.35 -0.37 1.05 -0.22 -1.06 0.00 0.00 176.35 176.09 2cui s LEU 59 N 1.14 4.46 0.20 1.48 2.96 -1.26 -5.05 118.68 122.60 2cui s LEU 59 Ca 0.02 1.91 0.00 0.00 -0.22 0.00 0.00 54.13 55.84 2cui s LEU 59 Cb -0.21 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 42.85 2cui s LEU 59 CO -0.04 -0.21 0.37 0.00 -1.32 0.00 0.00 176.35 175.15 2cui s GLN 60 N 0.19 3.50 0.07 1.98 0.00 -1.26 -5.07 119.66 119.07 2cui s GLN 60 Ca 0.50 -0.42 -0.11 0.00 -0.00 0.00 0.00 55.36 55.33 2cui s GLN 60 Cb -0.26 -2.87 0.01 0.00 0.00 0.00 0.00 33.01 29.89 2cui s GLN 60 CO 0.31 0.42 0.25 0.50 0.00 0.00 0.00 175.29 176.77 2cui s ARG 61 N -3.36 0.84 0.04 9.60 3.52 -1.26 -5.14 118.95 123.18 2cui s ARG 61 Ca 0.37 -0.76 -0.05 0.00 -0.13 0.00 0.00 55.73 55.17 2cui s ARG 61 Cb -0.11 0.35 -0.01 0.00 -1.56 0.00 0.00 34.95 33.62 2cui s ARG 61 CO 0.29 -0.27 0.08 -1.83 -0.81 0.00 0.00 175.30 172.76 2cui s GLU 62 N -3.31 0.59 0.10 5.12 1.03 -1.26 -3.73 118.70 117.24 2cui s GLU 62 Ca 0.01 -0.80 0.03 0.00 0.03 0.00 0.00 54.97 54.24 2cui s GLU 62 Cb 0.02 0.23 -0.04 0.00 -0.80 0.00 0.00 34.13 33.54 2cui s GLU 62 CO -0.08 -0.14 0.14 -1.17 -1.33 0.00 0.00 175.26 172.68 2cui s LEU 63 N -2.19 3.98 -0.20 1.83 2.96 -0.82 -4.92 118.68 119.32 2cui s LEU 63 Ca -0.04 0.04 0.01 0.00 -0.22 0.00 0.00 54.13 53.92 2cui s LEU 63 Cb -0.01 -2.61 0.02 0.00 0.50 0.00 0.00 46.19 44.09 2cui s LEU 63 CO -0.05 0.14 -0.17 -0.32 -1.32 0.00 0.00 176.35 174.62 2cui s MET 64 N -2.65 2.90 -0.01 1.98 -2.45 -1.26 -2.48 119.30 115.33 2cui s MET 64 Ca 0.31 -0.89 -0.00 0.00 -1.25 0.00 0.00 55.69 53.86 2cui s MET 64 Cb -0.12 -2.66 0.01 0.00 1.25 0.00 0.00 34.83 33.32 2cui s MET 64 CO 0.24 -0.27 0.02 0.08 1.05 0.00 0.00 175.02 176.15 2cui s VAL 65 N 1.28 -0.02 0.58 10.11 1.01 -0.99 -4.97 120.40 127.39 2cui s VAL 65 Ca 0.03 0.06 -0.18 0.00 0.00 0.00 0.00 61.98 61.89 2cui s VAL 65 Cb -0.14 -0.05 -0.04 0.00 0.00 0.00 0.00 36.38 36.15 2cui s VAL 65 CO -0.11 0.03 1.12 -2.16 0.00 0.00 0.00 175.10 173.98 2cui s PRO 66 N 0.33 3.18 0.31 2.72 0.04 -1.26 0.14 135.00 140.46 2cui s PRO 66 Ca -0.03 1.54 0.08 0.00 0.04 0.00 0.00 61.00 62.64 2cui s PRO 66 Cb -0.04 -1.99 0.87 0.00 0.04 0.00 0.00 34.50 33.38 2cui s PRO 66 CO -0.01 -0.98 1.70 0.78 0.04 0.00 0.00 177.00 178.53 2cui h GLY 67 N 0.83 1.79 1.53 0.56 0.00 -1.68 0.63 103.07 106.73 2cui h GLY 67 Ca -0.49 -0.23 0.06 0.00 0.00 0.00 0.00 47.33 46.68 2cui h GLY 67 CO 0.56 -0.32 0.18 0.00 0.00 0.00 0.00 176.54 176.96 2cui h THR 68 N 0.43 0.73 -3.41 4.70 1.03 -1.88 -3.39 112.91 111.12 2cui h THR 68 Ca 0.63 0.00 -0.65 0.00 -0.01 0.00 0.00 66.41 66.38 2cui h THR 68 Cb 1.27 0.87 -0.25 0.00 -1.07 0.00 0.00 68.15 68.98 2cui h THR 68 CO -0.54 0.00 -0.69 -0.13 -0.01 0.00 0.00 175.52 174.15 2cui s ARG 69 N -4.89 3.53 -0.68 0.00 0.52 0.22 -5.03 118.95 112.62 2cui s ARG 69 Ca -0.05 -0.56 0.05 0.00 -0.52 0.00 0.00 55.73 54.64 2cui s ARG 69 Cb 0.17 -3.01 0.28 0.00 0.52 0.00 0.00 34.95 32.91 2cui s ARG 69 CO 0.64 -0.01 0.90 0.72 0.02 0.00 0.00 175.30 177.57 2cui n HIS 70 N 4.29 3.60 -3.95 -0.53 8.25 -1.26 -4.29 115.22 121.33 2cui n HIS 70 Ca -0.17 -3.93 -0.09 0.00 -0.26 0.00 0.00 57.72 53.27 2cui n HIS 70 Cb 0.52 -0.63 -0.10 0.00 1.12 0.00 0.00 29.99 30.90 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 -2.62 0.20 -0.24 0.41 1.04 -1.26 -3.21 113.70 108.01 2cui s SER 71 Ca 0.41 -0.49 -0.09 0.00 0.48 0.00 0.00 55.95 56.25 2cui s SER 71 Cb 0.17 0.17 0.10 0.00 0.10 0.00 0.00 66.02 66.56 2cui s SER 71 CO -0.03 -0.41 0.53 0.00 0.98 0.00 0.00 173.24 174.31 2cui s ALA 72 N -2.02 -1.54 -0.22 5.32 0.00 -1.24 -4.88 121.76 117.18 2cui s ALA 72 Ca -0.10 1.92 0.02 0.00 0.00 0.00 0.00 51.96 53.79 2cui s ALA 72 Cb -0.05 -1.44 0.04 0.00 0.00 0.00 0.00 23.12 21.67 2cui s ALA 72 CO -0.02 -0.70 -0.15 0.08 0.00 0.00 0.00 175.76 174.96 2cui s VAL 73 N 2.42 2.09 0.26 0.00 1.01 -1.26 -0.56 120.40 124.37 2cui s VAL 73 Ca -0.05 -1.28 -0.03 0.00 0.00 0.00 0.00 61.98 60.61 2cui s VAL 73 Cb -0.11 -2.06 -0.05 0.00 0.00 0.00 0.00 36.38 34.17 2cui s VAL 73 CO -0.16 0.25 0.50 -0.76 0.00 0.00 0.00 175.10 174.93 2cui s LEU 74 N 1.20 4.11 0.26 3.92 2.01 -1.17 -4.96 118.68 124.06 2cui s LEU 74 Ca -0.02 0.61 0.02 0.00 0.01 0.00 0.00 54.13 54.76 2cui s LEU 74 Cb -0.17 -3.42 -0.04 0.00 0.01 0.00 0.00 46.19 42.58 2cui s LEU 74 CO -0.09 -0.15 0.17 -0.13 1.01 0.00 0.00 176.35 177.16 2cui s ARG 75 N -3.50 1.46 -1.65 1.70 0.52 -1.26 -3.32 118.95 112.90 2cui s ARG 75 Ca 0.42 -1.81 -0.02 0.00 -0.52 0.00 0.00 55.73 53.80 2cui s ARG 75 Cb -0.11 0.15 0.00 0.00 0.52 0.00 0.00 34.95 35.52 2cui s ARG 75 CO 0.30 -0.47 0.29 -3.47 0.02 0.00 0.00 175.30 171.98 2cui n ASP 76 N -0.78 -5.97 -4.87 0.23 -0.08 -1.20 -4.96 116.55 98.91 2cui n ASP 76 Ca 0.03 -0.15 -0.32 0.00 -1.51 0.00 0.00 54.79 52.85 2cui n ASP 76 Cb 0.65 -4.88 -0.05 0.00 2.34 0.00 0.00 41.12 39.17 2cui n ASP 76 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 2cui s LEU 77 N -6.24 4.12 0.55 -2.67 1.43 0.13 -5.06 118.68 110.94 2cui s LEU 77 Ca 0.15 0.98 -0.20 0.00 -1.03 0.00 0.00 54.13 54.02 2cui s LEU 77 Cb -0.06 -3.76 -0.05 0.00 0.03 0.00 0.00 46.19 42.34 2cui s LEU 77 CO 0.18 -0.13 1.19 -0.60 0.23 0.00 0.00 176.35 177.22 2cui s ARG 78 N -2.98 3.26 0.26 1.70 6.06 -1.26 -4.44 118.95 121.54 2cui s ARG 78 Ca 0.48 1.78 -0.30 0.00 -2.50 0.00 0.00 55.73 55.20 2cui s ARG 78 Cb -0.11 -2.07 -0.09 0.00 0.06 0.00 0.00 34.95 32.74 2cui s ARG 78 CO 0.22 -0.96 1.15 -1.12 -2.50 0.00 0.00 175.30 172.09 2cui s SER 79 N -1.56 7.15 -1.47 -2.12 0.01 -1.26 -3.59 113.70 110.87 2cui s SER 79 Ca 0.73 2.31 -0.02 0.00 1.31 0.00 0.00 55.95 60.28 2cui s SER 79 Cb -0.29 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.32 2cui s SER 79 CO 0.32 -0.26 0.23 0.61 0.41 0.00 0.00 173.24 174.55 2cui n GLY 80 N 1.43 -0.21 3.19 3.44 0.00 -0.81 -4.81 105.19 107.43 2cui n GLY 80 Ca 0.01 0.18 -0.22 0.00 0.00 0.00 0.00 46.02 45.98 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 -4.15 1.34 -0.28 2.61 2.01 -1.24 -4.89 115.64 111.05 2cui s THR 81 Ca 0.03 -1.13 -0.21 0.00 0.31 0.00 0.00 61.69 60.69 2cui s THR 81 Cb -0.01 -1.20 -0.01 0.00 0.01 0.00 0.00 72.50 71.29 2cui s THR 81 CO 0.95 0.05 0.66 -0.22 -0.69 0.00 0.00 174.62 175.37 2cui s LEU 82 N -1.25 4.09 0.10 4.42 1.98 -1.26 -2.19 118.68 124.57 2cui s LEU 82 Ca 0.04 0.64 0.04 0.00 -2.89 0.00 0.00 54.13 51.95 2cui s LEU 82 Cb -0.08 -2.89 -0.04 0.00 0.66 0.00 0.00 46.19 43.83 2cui s LEU 82 CO 0.02 -0.45 0.05 -0.31 -1.89 0.00 0.00 176.35 173.77 2cui s TYR 83 N 2.62 3.10 -0.36 5.38 1.51 -0.80 -4.59 117.35 124.21 2cui s TYR 83 Ca 0.27 0.02 -0.09 0.00 -1.01 0.00 0.00 57.07 56.26 2cui s TYR 83 Cb -0.15 -1.57 0.03 0.00 -0.11 0.00 0.00 41.96 40.16 2cui s TYR 83 CO 0.10 0.51 0.17 0.45 -1.11 0.00 0.00 175.55 175.66 2cui s SER 84 N -2.46 5.58 -0.04 2.29 0.15 -1.16 -3.07 113.70 114.99 2cui s SER 84 Ca 0.28 -1.06 -0.07 0.00 0.70 0.00 0.00 55.95 55.81 2cui s SER 84 Cb -0.12 -1.97 -0.04 0.00 -1.71 0.00 0.00 66.02 62.18 2cui s SER 84 CO 0.21 -0.37 0.22 -0.76 1.20 0.00 0.00 173.24 173.74 2cui s LEU 85 N 1.50 4.39 -0.21 3.45 1.43 -0.41 -2.49 118.68 126.33 2cui s LEU 85 Ca 0.01 0.52 -0.04 0.00 -1.03 0.00 0.00 54.13 53.59 2cui s LEU 85 Cb -0.19 -2.45 0.10 0.00 0.03 0.00 0.00 46.19 43.67 2cui s LEU 85 CO 0.05 0.31 0.22 -0.89 0.23 0.00 0.00 176.35 176.27 2cui s THR 86 N -1.20 -0.31 0.27 5.49 2.01 -0.50 -0.58 115.64 120.82 2cui s THR 86 Ca 0.23 -0.18 -0.12 0.00 0.31 0.00 0.00 61.69 61.93 2cui s THR 86 Cb -0.13 -0.71 -0.08 0.00 0.01 0.00 0.00 72.50 71.59 2cui s THR 86 CO 0.12 -0.25 0.64 -0.22 -0.69 0.00 0.00 174.62 174.22 2cui s LEU 87 N 2.31 4.13 -0.15 4.42 2.96 -0.54 -0.96 118.68 130.85 2cui s LEU 87 Ca 0.07 1.10 -0.01 0.00 -0.22 0.00 0.00 54.13 55.07 2cui s LEU 87 Cb -0.16 -3.85 0.04 0.00 0.50 0.00 0.00 46.19 42.72 2cui s LEU 87 CO -0.15 -0.13 -0.06 -0.31 -1.32 0.00 0.00 176.35 174.39 2cui s TYR 88 N -1.88 1.59 -1.10 5.38 2.02 -0.49 -1.79 117.35 121.08 2cui s TYR 88 Ca 0.50 -0.94 -0.22 0.00 -0.37 0.00 0.00 57.07 56.05 2cui s TYR 88 Cb -0.11 -1.27 0.02 0.00 -0.40 0.00 0.00 41.96 40.21 2cui s TYR 88 CO 0.19 -0.57 1.67 0.20 -1.57 0.00 0.00 175.55 175.47 2cui s GLY 89 N 1.67 1.07 -0.36 0.71 0.00 0.11 -1.97 107.32 108.57 2cui s GLY 89 Ca 0.02 -2.32 -0.28 0.00 0.00 0.00 0.00 44.72 42.14 2cui s GLY 89 CO -0.08 2.93 1.95 1.08 0.00 0.00 0.00 173.10 178.98 2cui s LEU 90 N 6.27 3.45 -0.14 0.66 2.01 -0.74 -0.09 118.68 130.10 2cui s LEU 90 Ca 0.55 1.27 0.06 0.00 0.01 0.00 0.00 54.13 56.02 2cui s LEU 90 Cb 0.00 -3.28 0.38 0.00 0.01 0.00 0.00 46.19 43.30 2cui s LEU 90 CO -0.01 -1.97 1.19 -1.14 1.01 0.00 0.00 176.35 175.44 2cui n ARG 91 N 8.66 2.60 0.00 1.70 0.00 -1.15 0.10 116.66 128.57 2cui n ARG 91 Ca 0.25 -1.53 0.00 0.00 -0.00 0.00 0.00 57.85 56.58 2cui n ARG 91 Cb 0.48 -1.81 0.00 0.00 0.00 0.00 0.00 32.46 31.13 2cui n ARG 91 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2cui n GLY 92 N 0.16 1.32 0.09 5.14 0.00 -1.26 -4.66 105.19 105.98 2cui n GLY 92 Ca 0.17 -0.74 -0.13 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.09 -5.68 1.61 0.13 -2.01 -3.46 132.00 122.50 2cui h PRO 93 Ca 0.00 0.01 -0.47 0.00 -0.87 0.00 0.00 66.00 64.66 2cui h PRO 93 Cb 0.00 0.02 -0.15 0.00 0.13 0.00 0.00 31.00 31.00 2cui h PRO 93 CO 0.00 0.37 -0.75 -3.38 -0.23 0.00 0.00 178.00 174.01 2cui s HIS 94 N -4.20 1.75 0.60 1.56 -3.43 -1.26 -5.13 115.29 105.18 2cui s HIS 94 Ca -0.15 -0.53 -0.19 0.00 -0.80 0.00 0.00 55.06 53.38 2cui s HIS 94 Cb 0.02 -0.83 -0.03 0.00 -1.43 0.00 0.00 32.58 30.31 2cui s HIS 94 CO 0.63 0.36 1.30 0.15 -2.00 0.00 0.00 174.74 175.18 2cui s LYS 95 N -3.38 2.84 -0.13 -0.38 1.02 -1.26 -2.93 119.74 115.51 2cui s LYS 95 Ca 0.21 2.08 -0.03 0.00 0.02 0.00 0.00 55.97 58.24 2cui s LYS 95 Cb -0.02 -2.00 -0.07 0.00 -0.52 0.00 0.00 37.83 35.21 2cui s LYS 95 CO 0.07 -1.38 -0.14 0.00 -0.92 0.00 0.00 175.35 172.98 2cui n ALA 96 N -1.54 1.92 -2.36 5.17 0.00 0.87 -4.77 120.51 119.79 2cui n ALA 96 Ca 0.14 -0.54 -0.18 0.00 0.00 0.00 0.00 53.44 52.85 2cui n ALA 96 Cb 0.47 0.26 -0.10 0.00 0.00 0.00 0.00 19.45 20.08 2cui n ALA 96 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2cui s ASP 97 N -5.73 2.15 -0.23 0.00 2.15 -1.20 -4.96 116.67 108.86 2cui s ASP 97 Ca -0.18 -1.20 -0.10 0.00 0.43 0.00 0.00 52.55 51.50 2cui s ASP 97 Cb 0.06 -0.05 0.09 0.00 -0.30 0.00 0.00 42.92 42.71 2cui s ASP 97 CO 0.27 -0.45 0.52 -0.94 -0.17 0.00 0.00 175.17 174.40 2cui s SER 98 N -3.35 -0.65 0.25 -0.34 1.04 -1.26 0.10 113.70 109.49 2cui s SER 98 Ca 0.28 1.20 0.11 0.00 0.48 0.00 0.00 55.95 58.03 2cui s SER 98 Cb 0.05 1.43 -0.05 0.00 0.10 0.00 0.00 66.02 67.55 2cui s SER 98 CO 0.09 -0.22 -0.17 -0.51 0.98 0.00 0.00 173.24 173.41 2cui s ILE 99 N 2.19 2.65 -0.14 -1.02 2.07 -0.74 -4.97 121.20 121.24 2cui s ILE 99 Ca -0.06 -2.19 0.02 0.00 -1.41 0.00 0.00 60.65 57.00 2cui s ILE 99 Cb -0.10 -2.36 0.00 0.00 0.13 0.00 0.00 42.46 40.13 2cui s ILE 99 CO -0.16 -0.31 -0.19 -1.10 -1.91 0.00 0.00 174.94 171.27 2cui s GLN 100 N -3.29 3.12 -0.13 3.50 1.11 -1.26 -1.47 119.66 121.24 2cui s GLN 100 Ca 0.28 -0.81 -0.01 0.00 0.01 0.00 0.00 55.36 54.83 2cui s GLN 100 Cb -0.06 -2.51 0.03 0.00 -1.01 0.00 0.00 33.01 29.46 2cui s GLN 100 CO 0.15 0.02 -0.04 0.20 0.01 0.00 0.00 175.29 175.62 2cui s GLY 101 N 0.76 0.78 0.27 3.09 0.00 0.25 -4.85 107.32 107.61 2cui s GLY 101 Ca -0.07 -0.55 0.00 0.00 0.00 0.00 0.00 44.72 44.10 2cui s GLY 101 CO 0.00 0.96 0.46 -0.51 0.00 0.00 0.00 173.10 174.01 2cui s THR 102 N 1.76 5.16 -0.28 0.90 -4.23 -1.26 -1.29 115.64 116.39 2cui s THR 102 Ca 0.03 -0.44 -0.22 0.00 -1.18 0.00 0.00 61.69 59.88 2cui s THR 102 Cb -0.14 -3.80 0.11 0.00 1.34 0.00 0.00 72.50 70.02 2cui s THR 102 CO -0.07 -0.34 0.92 0.00 -0.54 0.00 0.00 174.62 174.58 2cui s ALA 103 N -2.06 -2.00 -0.29 3.99 0.00 -1.17 -4.73 121.76 115.50 2cui s ALA 103 Ca 0.39 2.06 -0.07 0.00 0.00 0.00 0.00 51.96 54.34 2cui s ALA 103 Cb -0.10 -1.46 0.01 0.00 0.00 0.00 0.00 23.12 21.56 2cui s ALA 103 CO 0.32 -0.30 0.07 0.50 0.00 0.00 0.00 175.76 176.35 2cui s ARG 104 N 0.71 3.15 1.23 0.00 3.52 -1.26 -1.90 118.95 124.40 2cui s ARG 104 Ca -0.02 -0.81 -0.17 0.00 -0.13 0.00 0.00 55.73 54.59 2cui s ARG 104 Cb -0.05 -3.34 0.30 0.00 -1.56 0.00 0.00 34.95 30.30 2cui s ARG 104 CO -0.09 -0.41 1.03 0.95 -0.81 0.00 0.00 175.30 175.97 2cui s THR 105 N 1.50 1.67 0.16 4.11 -4.23 -0.93 -4.88 115.64 113.05 2cui s THR 105 Ca 0.03 0.00 0.02 0.00 -1.18 0.00 0.00 61.69 60.56 2cui s THR 105 Cb -0.17 -2.24 -0.04 0.00 1.34 0.00 0.00 72.50 71.39 2cui s THR 105 CO 0.02 0.00 0.30 -0.76 -0.54 0.00 0.00 174.62 173.64 2cui s LEU 106 N -7.22 4.33 0.20 4.79 1.43 -1.14 -3.54 118.68 117.53 2cui s LEU 106 Ca 0.69 0.19 0.06 0.00 -1.03 0.00 0.00 54.13 54.03 2cui s LEU 106 Cb -0.17 -2.93 0.11 0.00 0.03 0.00 0.00 46.19 43.22 2cui s LEU 106 CO 0.59 0.03 1.46 -1.28 0.23 0.00 0.00 176.35 177.39 2cui h SER 107 N 2.06 0.15 -4.59 2.29 0.87 -1.87 -2.15 113.55 110.30 2cui h SER 107 Ca -0.49 -0.11 0.00 0.00 -1.23 0.00 0.00 61.79 59.97 2cui h SER 107 Cb 1.20 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.11 2cui h SER 107 CO 0.68 0.86 0.00 0.61 -0.53 0.00 0.00 176.83 178.45 2cui n GLY 108 N 0.67 0.02 0.28 5.77 0.00 -1.26 -4.59 105.19 106.07 2cui n GLY 108 Ca -0.02 -1.79 0.17 0.00 0.00 0.00 0.00 46.02 44.39 2cui n GLY 108 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cui h PRO 109 N 0.00 0.00 -6.98 1.61 0.13 -2.03 -3.44 132.00 121.30 2cui h PRO 109 Ca 0.00 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.66 2cui h PRO 109 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 2cui h PRO 109 CO 0.00 0.00 0.25 -1.12 -0.23 0.00 0.00 178.00 176.90 2cui s SER 110 N -5.61 6.72 0.00 1.44 0.01 -1.26 -5.09 113.70 109.91 2cui s SER 110 Ca 0.01 1.44 0.00 0.00 1.31 0.00 0.00 55.95 58.71 2cui s SER 110 Cb 0.09 -2.45 -0.00 0.00 0.21 0.00 0.00 66.02 63.87 2cui s SER 110 CO 0.53 -0.40 -0.01 -0.44 0.41 0.00 0.00 173.24 173.33 2cui s SER 111 N -2.68 0.07 0.00 2.44 0.01 -1.26 -5.03 113.70 107.24 2cui s SER 111 Ca 0.57 -0.09 0.00 0.00 1.31 0.00 0.00 55.95 57.74 2cui s SER 111 Cb -0.10 0.01 0.00 0.00 0.21 0.00 0.00 66.02 66.15 2cui s SER 111 CO 0.23 -0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.45