#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 6.07 0.78 1.61 1.04 -1.26 -4.99 113.70 116.96 2cui s SER 2 Ca 0.00 2.13 -0.14 0.00 0.48 0.00 0.00 55.95 58.42 2cui s SER 2 Cb 0.00 -2.58 0.05 0.00 0.10 0.00 0.00 66.02 63.59 2cui s SER 2 CO 0.00 -0.98 1.06 -1.20 0.98 0.00 0.00 173.24 173.11 2cui n SER 3 N -0.92 0.63 -3.54 7.02 7.64 -1.26 -5.03 113.62 118.15 2cui n SER 3 Ca 0.09 0.60 -0.03 0.00 1.01 0.00 0.00 58.87 60.54 2cui n SER 3 Cb 0.51 -1.45 -0.06 0.00 -1.01 0.00 0.00 64.21 62.20 2cui n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2cui s GLY 4 N -1.93 -0.63 -0.74 0.23 0.00 -1.26 -5.10 107.32 97.89 2cui s GLY 4 Ca 0.72 1.88 -0.26 0.00 0.00 0.00 0.00 44.72 47.07 2cui s GLY 4 CO 0.52 2.88 1.81 -0.56 0.00 0.00 0.00 173.10 177.75 2cui s SER 5 N 2.77 5.38 -0.10 1.64 0.01 -1.26 -4.91 113.70 117.23 2cui s SER 5 Ca 0.01 -0.18 -0.03 0.00 1.31 0.00 0.00 55.95 57.06 2cui s SER 5 Cb -0.13 -2.54 0.05 0.00 0.21 0.00 0.00 66.02 63.61 2cui s SER 5 CO -0.17 -2.40 0.15 -0.44 0.41 0.00 0.00 173.24 170.80 2cui s SER 6 N 7.49 0.99 0.00 2.44 0.01 -1.26 -5.10 113.70 118.26 2cui s SER 6 Ca 0.64 0.17 0.00 0.00 1.31 0.00 0.00 55.95 58.07 2cui s SER 6 Cb -0.09 0.22 0.00 0.00 0.21 0.00 0.00 66.02 66.35 2cui s SER 6 CO 0.11 -0.26 0.00 0.61 0.41 0.00 0.00 173.24 174.11 2cui n GLY 7 N 5.32 0.33 3.46 3.44 0.00 -1.26 -5.07 105.19 111.41 2cui n GLY 7 Ca -0.05 -2.07 -0.25 0.00 0.00 0.00 0.00 46.02 43.66 2cui n GLY 7 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cui s SER 8 N -4.00 3.55 -0.86 1.61 0.15 -1.26 -5.09 113.70 107.80 2cui s SER 8 Ca 0.00 -0.96 -0.03 0.00 0.70 0.00 0.00 55.95 55.65 2cui s SER 8 Cb 0.00 -0.29 0.21 0.00 -1.71 0.00 0.00 66.02 64.23 2cui s SER 8 CO 0.00 0.07 0.75 -0.60 1.20 0.00 0.00 173.24 174.66 2cui s ARG 9 N -3.20 3.25 0.21 5.44 3.52 -1.26 -5.07 118.95 121.85 2cui s ARG 9 Ca 0.27 -3.10 -0.30 0.00 -0.13 0.00 0.00 55.73 52.47 2cui s ARG 9 Cb -0.06 -4.00 -0.09 0.00 -1.56 0.00 0.00 34.95 29.24 2cui s ARG 9 CO 0.13 -1.25 1.29 -1.25 -0.81 0.00 0.00 175.30 173.42 2cui s PRO 10 N -1.04 4.40 0.30 5.12 0.04 -1.26 -5.04 135.00 137.52 2cui s PRO 10 Ca 0.25 2.05 0.07 0.00 0.04 0.00 0.00 61.00 63.41 2cui s PRO 10 Cb -0.10 -3.18 -0.06 0.00 0.04 0.00 0.00 34.50 31.20 2cui s PRO 10 CO -0.10 -0.21 -0.06 1.03 0.04 0.00 0.00 177.00 177.70 2cui s ARG 11 N -0.35 1.63 0.39 4.56 1.81 -1.26 -4.71 118.95 121.01 2cui s ARG 11 Ca 0.55 -1.84 0.04 0.00 -1.72 0.00 0.00 55.73 52.76 2cui s ARG 11 Cb -0.36 -1.28 -0.00 0.00 -0.45 0.00 0.00 34.95 32.86 2cui s ARG 11 CO 0.40 0.05 0.57 -0.51 -0.68 0.00 0.00 175.30 175.12 2cui s LEU 12 N -3.49 3.81 0.50 2.53 1.43 -1.26 -4.56 118.68 117.64 2cui s LEU 12 Ca 0.31 0.02 0.07 0.00 -1.03 0.00 0.00 54.13 53.49 2cui s LEU 12 Cb 0.04 -2.93 0.02 0.00 0.03 0.00 0.00 46.19 43.35 2cui s LEU 12 CO 0.13 -0.58 0.44 -0.55 0.23 0.00 0.00 176.35 176.02 2cui s SER 13 N -4.20 4.81 -0.32 2.29 0.15 -0.75 -4.99 113.70 110.69 2cui s SER 13 Ca 0.47 -1.03 -0.34 0.00 0.70 0.00 0.00 55.95 55.75 2cui s SER 13 Cb -0.10 0.05 -0.10 0.00 -1.71 0.00 0.00 66.02 64.16 2cui s SER 13 CO 0.34 -0.97 2.18 0.00 1.20 0.00 0.00 173.24 175.99 2cui n GLN 14 N -1.74 1.26 -2.89 5.44 10.64 -1.26 -4.60 117.38 124.24 2cui n GLN 14 Ca 0.02 0.35 -0.43 0.00 -1.83 0.00 0.00 57.00 55.11 2cui n GLN 14 Cb 0.63 -2.58 -0.04 0.00 -0.86 0.00 0.00 30.24 27.38 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 7.29 4.30 0.27 2.61 2.96 -1.26 -4.66 118.68 130.19 2cui s LEU 15 Ca 1.07 -0.61 0.07 0.00 -0.22 0.00 0.00 54.13 54.45 2cui s LEU 15 Cb -0.77 -2.66 -0.03 0.00 0.50 0.00 0.00 46.19 43.22 2cui s LEU 15 CO 0.47 -1.24 0.21 -0.44 -1.32 0.00 0.00 176.35 174.03 2cui s SER 16 N 3.06 5.41 -0.17 3.68 0.01 -1.19 -4.64 113.70 119.86 2cui s SER 16 Ca 0.26 -0.33 -0.01 0.00 1.31 0.00 0.00 55.95 57.17 2cui s SER 16 Cb -0.15 -1.27 -0.01 0.00 0.21 0.00 0.00 66.02 64.81 2cui s SER 16 CO 0.16 -0.11 -0.10 -0.69 0.41 0.00 0.00 173.24 172.90 2cui s VAL 17 N -2.19 3.09 0.34 3.43 1.01 -1.26 -2.32 120.40 122.51 2cui s VAL 17 Ca 0.35 -0.62 0.09 0.00 0.00 0.00 0.00 61.98 61.80 2cui s VAL 17 Cb -0.07 -2.34 -0.07 0.00 0.00 0.00 0.00 36.38 33.90 2cui s VAL 17 CO 0.25 0.49 -0.09 0.42 0.00 0.00 0.00 175.10 176.17 2cui s THR 18 N 0.86 2.19 -1.58 3.92 -4.23 0.57 -4.71 115.64 112.66 2cui s THR 18 Ca -0.03 -2.19 -0.03 0.00 -1.18 0.00 0.00 61.69 58.25 2cui s THR 18 Cb -0.15 -2.65 0.01 0.00 1.34 0.00 0.00 72.50 71.05 2cui s THR 18 CO 0.00 -0.20 0.39 0.47 -0.54 0.00 0.00 174.62 174.74 2cui n ASP 19 N -0.79 -5.75 -4.45 3.99 9.92 -1.26 -1.44 116.55 116.76 2cui n ASP 19 Ca -0.05 -0.19 -0.45 0.00 -0.53 0.00 0.00 54.79 53.57 2cui n ASP 19 Cb 0.64 -4.70 -0.11 0.00 -0.64 0.00 0.00 41.12 36.31 2cui n ASP 19 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 2cui n VAL 20 N -4.26 0.02 -2.55 2.53 0.31 -1.26 -4.46 118.33 108.66 2cui n VAL 20 Ca -0.15 -0.21 -0.27 0.00 -0.01 0.00 0.00 64.34 63.71 2cui n VAL 20 Cb 0.63 -1.18 0.01 0.00 -0.91 0.00 0.00 33.84 32.40 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 8.73 4.39 0.21 2.52 2.01 0.49 -4.62 115.64 129.38 2cui s THR 21 Ca 1.20 0.10 -0.12 0.00 0.31 0.00 0.00 61.69 63.18 2cui s THR 21 Cb -1.01 -3.69 0.22 0.00 0.01 0.00 0.00 72.50 68.03 2cui s THR 21 CO 0.48 -0.68 1.64 0.71 -0.69 0.00 0.00 174.62 176.07 2cui h THR 22 N 0.08 0.41 0.00 -0.82 1.35 -1.91 -2.88 112.91 109.14 2cui h THR 22 Ca -0.46 -0.01 -0.02 0.00 -0.55 0.00 0.00 66.41 65.36 2cui h THR 22 Cb 1.23 0.37 -0.04 0.00 -1.73 0.00 0.00 68.15 67.97 2cui h THR 22 CO 0.61 0.01 -0.34 -1.54 -0.25 0.00 0.00 175.52 174.01 2cui n SER 23 N -5.38 1.47 -3.00 5.36 3.41 -1.26 -3.52 113.62 110.70 2cui n SER 23 Ca 0.08 -2.84 -0.11 0.00 -0.26 0.00 0.00 58.87 55.74 2cui n SER 23 Cb 0.34 -0.37 -0.00 0.00 -0.26 0.00 0.00 64.21 63.92 2cui n SER 23 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2cui s SER 24 N -2.36 0.43 0.06 4.04 0.01 -1.09 -0.66 113.70 114.12 2cui s SER 24 Ca 0.25 -1.32 -0.26 0.00 1.31 0.00 0.00 55.95 55.93 2cui s SER 24 Cb 0.24 0.78 0.09 0.00 0.21 0.00 0.00 66.02 67.34 2cui s SER 24 CO -0.02 -1.55 1.20 -1.48 0.41 0.00 0.00 173.24 171.80 2cui s LEU 25 N -3.15 0.01 0.02 2.44 0.05 -1.19 0.19 118.68 117.04 2cui s LEU 25 Ca 0.22 -0.37 0.03 0.00 0.05 0.00 0.00 54.13 54.05 2cui s LEU 25 Cb -0.03 1.59 -0.01 0.00 -2.05 0.00 0.00 46.19 45.68 2cui s LEU 25 CO 0.16 -0.54 -0.09 -0.60 -0.55 0.00 0.00 176.35 174.72 2cui s ARG 26 N -2.06 0.68 0.26 1.48 3.52 -0.52 -3.23 118.95 119.06 2cui s ARG 26 Ca 0.27 -0.50 0.09 0.00 -0.13 0.00 0.00 55.73 55.46 2cui s ARG 26 Cb -0.01 -0.62 -0.04 0.00 -1.56 0.00 0.00 34.95 32.72 2cui s ARG 26 CO 0.01 0.16 0.01 -0.51 -0.81 0.00 0.00 175.30 174.16 2cui s LEU 27 N -0.73 3.25 -0.24 -0.88 1.43 -0.06 -0.32 118.68 121.13 2cui s LEU 27 Ca -0.00 -0.60 -0.06 0.00 -1.03 0.00 0.00 54.13 52.44 2cui s LEU 27 Cb -0.06 -1.78 0.12 0.00 0.03 0.00 0.00 46.19 44.51 2cui s LEU 27 CO 0.00 0.01 0.49 0.20 0.23 0.00 0.00 176.35 177.28 2cui s ASN 28 N -3.63 -0.52 0.02 2.29 0.01 -0.98 -3.64 114.94 108.49 2cui s ASN 28 Ca 0.31 0.98 0.04 0.00 -0.71 0.00 0.00 52.86 53.48 2cui s ASN 28 Cb -0.07 1.64 -0.02 0.00 0.41 0.00 0.00 41.25 43.21 2cui s ASN 28 CO 0.20 -0.24 -0.13 -1.66 -1.51 0.00 0.00 177.10 173.76 2cui s TRP 29 N 2.70 1.10 -0.12 2.20 -2.14 -1.21 -3.17 118.94 118.30 2cui s TRP 29 Ca 0.03 -0.30 -0.10 0.00 2.66 0.00 0.00 56.10 58.38 2cui s TRP 29 Cb -0.13 -0.67 -0.05 0.00 -3.10 0.00 0.00 33.47 29.52 2cui s TRP 29 CO -0.16 0.01 0.21 -2.00 -2.66 0.00 0.00 176.95 172.35 2cui s GLU 30 N -0.86 3.78 -0.04 3.25 2.12 -1.26 -4.66 118.70 121.04 2cui s GLU 30 Ca 0.02 -0.01 -0.10 0.00 0.36 0.00 0.00 54.97 55.24 2cui s GLU 30 Cb -0.07 -3.27 0.02 0.00 0.26 0.00 0.00 34.13 31.07 2cui s GLU 30 CO 0.01 0.60 0.23 0.00 -0.54 0.00 0.00 175.26 175.55 2cui s ALA 31 N -0.58 -0.56 1.02 6.30 0.00 -1.26 -1.81 121.76 124.86 2cui s ALA 31 Ca 0.16 0.30 -0.13 0.00 0.00 0.00 0.00 51.96 52.29 2cui s ALA 31 Cb -0.13 -0.08 0.20 0.00 0.00 0.00 0.00 23.12 23.11 2cui s ALA 31 CO 0.05 -0.19 1.09 -1.25 0.00 0.00 0.00 175.76 175.46 2cui s PRO 32 N -0.83 0.28 0.37 0.00 0.04 -1.26 -5.00 135.00 128.60 2cui s PRO 32 Ca -0.09 0.47 -0.26 0.00 0.04 0.00 0.00 61.00 61.16 2cui s PRO 32 Cb -0.05 -1.72 -0.09 0.00 0.04 0.00 0.00 34.50 32.68 2cui s PRO 32 CO 0.02 -2.82 1.20 -1.25 0.04 0.00 0.00 177.00 174.19 2cui s PRO 33 N -4.97 4.16 -1.59 0.56 0.04 -1.26 -3.33 135.00 128.62 2cui s PRO 33 Ca 0.66 1.93 -0.15 0.00 0.04 0.00 0.00 61.00 63.48 2cui s PRO 33 Cb -0.19 -2.81 0.11 0.00 0.04 0.00 0.00 34.50 31.65 2cui s PRO 33 CO 0.58 -0.25 0.92 0.41 0.04 0.00 0.00 177.00 178.69 2cui n GLY 34 N 0.73 -0.48 0.08 0.56 0.00 -1.26 -4.89 105.19 99.93 2cui n GLY 34 Ca 0.03 0.17 -0.11 0.00 0.00 0.00 0.00 46.02 46.12 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 0.95 0.08 -3.46 4.61 0.00 -1.94 -3.49 119.26 116.01 2cui h ALA 35 Ca -0.58 -0.61 -0.27 0.00 0.00 0.00 0.00 54.91 53.44 2cui h ALA 35 Cb 1.38 0.37 -0.24 0.00 0.00 0.00 0.00 17.79 19.30 2cui h ALA 35 CO 0.71 0.36 -0.73 -0.06 0.00 0.00 0.00 179.25 179.53 2cui s PHE 36 N -2.13 0.44 0.19 0.00 0.08 -1.26 -4.70 117.98 110.61 2cui s PHE 36 Ca -0.17 -0.30 -0.09 0.00 0.12 0.00 0.00 56.93 56.49 2cui s PHE 36 Cb 0.02 -0.28 0.10 0.00 -0.57 0.00 0.00 43.02 42.29 2cui s PHE 36 CO 0.38 -0.06 1.70 0.22 -0.10 0.00 0.00 175.22 177.35 2cui h ASP 37 N 5.25 1.05 -3.69 1.36 1.82 0.18 -3.22 116.42 119.17 2cui h ASP 37 Ca -0.31 -0.25 -0.22 0.00 -0.39 0.00 0.00 57.03 55.87 2cui h ASP 37 Cb 1.20 -0.28 -0.05 0.00 0.68 0.00 0.00 39.33 40.89 2cui h ASP 37 CO 0.45 1.03 -0.05 -1.54 -1.61 0.00 0.00 179.24 177.52 2cui n SER 38 N -4.25 -1.53 -3.75 2.28 3.41 -1.00 -2.77 113.62 106.03 2cui n SER 38 Ca 0.04 -2.77 -0.23 0.00 -0.26 0.00 0.00 58.87 55.65 2cui n SER 38 Cb 0.27 2.75 -0.17 0.00 -0.26 0.00 0.00 64.21 66.79 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 -2.87 0.60 -0.43 7.33 0.08 0.55 -1.40 117.98 121.84 2cui s PHE 39 Ca 0.25 -0.18 -0.12 0.00 0.12 0.00 0.00 56.93 57.01 2cui s PHE 39 Cb -0.02 -0.77 0.07 0.00 -0.57 0.00 0.00 43.02 41.72 2cui s PHE 39 CO 0.18 -0.34 0.30 -1.17 -0.10 0.00 0.00 175.22 174.08 2cui s LEU 40 N 2.00 5.24 -0.21 -0.37 2.96 -0.93 -2.38 118.68 124.98 2cui s LEU 40 Ca 0.04 -1.36 -0.17 0.00 -0.22 0.00 0.00 54.13 52.43 2cui s LEU 40 Cb -0.13 -2.06 -0.04 0.00 0.50 0.00 0.00 46.19 44.47 2cui s LEU 40 CO -0.05 -0.55 0.45 -0.22 -1.32 0.00 0.00 176.35 174.65 2cui s LEU 41 N 1.52 4.13 -0.29 -0.68 2.96 -1.13 -1.44 118.68 123.75 2cui s LEU 41 Ca 0.03 0.55 -0.05 0.00 -0.22 0.00 0.00 54.13 54.44 2cui s LEU 41 Cb -0.23 -2.58 0.02 0.00 0.50 0.00 0.00 46.19 43.90 2cui s LEU 41 CO 0.04 -0.14 0.04 -0.13 -1.32 0.00 0.00 176.35 174.84 2cui s ARG 42 N 1.58 2.87 -0.28 1.98 0.52 0.05 -1.87 118.95 123.79 2cui s ARG 42 Ca 0.20 -0.99 -0.05 0.00 -0.52 0.00 0.00 55.73 54.37 2cui s ARG 42 Cb -0.15 -3.27 0.01 0.00 0.52 0.00 0.00 34.95 32.06 2cui s ARG 42 CO 0.09 -0.49 0.04 -0.59 0.02 0.00 0.00 175.30 174.36 2cui s PHE 43 N 1.41 3.12 0.09 -0.53 -0.71 -1.23 -1.44 117.98 118.69 2cui s PHE 43 Ca 0.00 -1.16 0.07 0.00 -1.04 0.00 0.00 56.93 54.80 2cui s PHE 43 Cb -0.18 -2.19 -0.03 0.00 -1.21 0.00 0.00 43.02 39.41 2cui s PHE 43 CO 0.00 -0.62 -0.17 0.20 -1.34 0.00 0.00 175.22 173.29 2cui s GLY 44 N 1.44 1.05 -0.46 1.99 0.00 -1.04 -4.42 107.32 105.89 2cui s GLY 44 Ca 0.02 -1.14 -0.26 0.00 0.00 0.00 0.00 44.72 43.33 2cui s GLY 44 CO 0.00 -1.16 0.98 0.14 0.00 0.00 0.00 173.10 173.06 2cui s VAL 45 N -1.32 4.42 -0.40 1.40 1.01 -1.26 -2.76 120.40 121.49 2cui s VAL 45 Ca 0.03 0.91 -0.28 0.00 0.00 0.00 0.00 61.98 62.64 2cui s VAL 45 Cb -0.09 -4.47 -0.01 0.00 0.00 0.00 0.00 36.38 31.81 2cui s VAL 45 CO 0.03 -0.85 1.73 -2.16 0.00 0.00 0.00 175.10 173.86 2cui s PRO 46 N 3.90 3.26 -0.19 2.72 0.04 -1.26 -4.99 135.00 138.48 2cui s PRO 46 Ca 0.40 1.18 -0.08 0.00 0.04 0.00 0.00 61.00 62.54 2cui s PRO 46 Cb -0.10 -4.20 -0.04 0.00 0.04 0.00 0.00 34.50 30.21 2cui s PRO 46 CO 0.27 -1.95 0.08 -1.54 0.04 0.00 0.00 177.00 173.89 2cui s SER 47 N 6.01 5.72 0.71 6.66 1.04 -1.26 -5.07 113.70 127.51 2cui s SER 47 Ca 0.74 0.10 -0.13 0.00 0.48 0.00 0.00 55.95 57.14 2cui s SER 47 Cb -0.19 -1.99 0.02 0.00 0.10 0.00 0.00 66.02 63.97 2cui s SER 47 CO 0.31 0.17 1.10 -2.16 0.98 0.00 0.00 173.24 173.64 2cui s PRO 48 N 0.41 2.56 -0.17 4.02 0.04 -1.26 -4.96 135.00 135.64 2cui s PRO 48 Ca 0.04 1.29 0.17 0.00 0.04 0.00 0.00 61.00 62.54 2cui s PRO 48 Cb -0.12 -1.93 0.77 0.00 0.04 0.00 0.00 34.50 33.27 2cui s PRO 48 CO 0.00 -1.43 1.69 0.43 0.04 0.00 0.00 177.00 177.74 2cui n SER 49 N -2.90 5.22 -0.08 6.66 7.64 -1.26 -4.19 113.62 124.71 2cui n SER 49 Ca 0.10 -2.65 -0.08 0.00 1.01 0.00 0.00 58.87 57.25 2cui n SER 49 Cb 0.52 -0.63 -0.13 0.00 -1.01 0.00 0.00 64.21 62.97 2cui n SER 49 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2cui n THR 50 N 0.95 1.10 -3.58 0.44 -2.24 -1.26 -5.00 114.28 104.69 2cui n THR 50 Ca 0.27 -0.67 -0.23 0.00 -2.27 0.00 0.00 64.05 61.15 2cui n THR 50 Cb 1.03 -0.60 -0.02 0.00 -2.10 0.00 0.00 70.33 68.64 2cui n THR 50 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2cui s LEU 51 N -5.22 4.12 0.30 3.22 1.43 -1.26 -5.07 118.68 116.19 2cui s LEU 51 Ca -0.09 0.32 -0.29 0.00 -1.03 0.00 0.00 54.13 53.05 2cui s LEU 51 Cb 0.05 -3.16 -0.09 0.00 0.03 0.00 0.00 46.19 43.01 2cui s LEU 51 CO 0.65 -0.21 1.10 -1.61 0.23 0.00 0.00 176.35 176.50 2cui s GLU 52 N -4.17 4.57 0.64 1.70 2.02 -1.26 -4.96 118.70 117.24 2cui s GLU 52 Ca 0.38 1.78 -0.16 0.00 0.02 0.00 0.00 54.97 56.99 2cui s GLU 52 Cb -0.09 -3.10 -0.01 0.00 0.10 0.00 0.00 34.13 31.03 2cui s GLU 52 CO 0.33 0.15 1.11 -1.25 0.02 0.00 0.00 175.26 175.63 2cui s PRO 53 N -1.59 2.88 -0.00 0.39 0.04 -1.26 -5.05 135.00 130.40 2cui s PRO 53 Ca 0.46 1.42 0.02 0.00 0.04 0.00 0.00 61.00 62.95 2cui s PRO 53 Cb -0.31 -1.96 -0.03 0.00 0.04 0.00 0.00 34.50 32.24 2cui s PRO 53 CO 0.40 -1.19 -0.04 -1.01 0.04 0.00 0.00 177.00 175.19 2cui s HIS 54 N -2.26 2.95 -2.00 0.56 3.76 -1.26 -4.99 115.29 112.05 2cui s HIS 54 Ca 0.68 0.01 0.10 0.00 -0.15 0.00 0.00 55.06 55.70 2cui s HIS 54 Cb -0.21 -1.63 0.61 0.00 1.11 0.00 0.00 32.58 32.46 2cui s HIS 54 CO 0.39 0.40 1.05 -0.35 -0.85 0.00 0.00 174.74 175.39 2cui n PRO 55 N 1.53 0.49 -2.07 8.40 -0.04 -1.26 -4.78 135.00 137.27 2cui n PRO 55 Ca -0.15 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.88 2cui n PRO 55 Cb 0.53 -1.33 -0.03 0.00 -0.04 0.00 0.00 33.50 32.63 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 4.21 -0.17 0.54 3.00 -1.26 -4.94 118.95 118.32 2cui s ARG 56 Ca 0.15 2.13 -0.29 0.00 -1.00 0.00 0.00 55.73 56.72 2cui s ARG 56 Cb 0.07 -3.81 -0.03 0.00 0.00 0.00 0.00 34.95 31.17 2cui s ARG 56 CO 0.12 -0.76 1.57 -1.25 0.00 0.00 0.00 175.30 174.98 2cui s PRO 57 N 3.41 3.96 -0.24 5.12 0.04 -1.26 -5.00 135.00 141.03 2cui s PRO 57 Ca 0.70 1.79 0.01 0.00 0.04 0.00 0.00 61.00 63.54 2cui s PRO 57 Cb -0.33 -3.98 0.04 0.00 0.04 0.00 0.00 34.50 30.26 2cui s PRO 57 CO 0.28 -1.10 -0.11 -0.48 0.04 0.00 0.00 177.00 175.63 2cui s LEU 58 N 4.66 3.05 -0.11 -3.56 0.05 -1.26 -5.11 118.68 116.40 2cui s LEU 58 Ca 0.69 -1.04 -0.07 0.00 0.05 0.00 0.00 54.13 53.76 2cui s LEU 58 Cb -0.26 -1.57 -0.04 0.00 -2.05 0.00 0.00 46.19 42.26 2cui s LEU 58 CO 0.27 -0.13 0.15 -0.22 -0.55 0.00 0.00 176.35 175.87 2cui s LEU 59 N 1.22 4.39 0.39 1.48 2.96 -1.26 -5.10 118.68 122.77 2cui s LEU 59 Ca -0.02 0.48 -0.10 0.00 -0.22 0.00 0.00 54.13 54.26 2cui s LEU 59 Cb -0.17 -2.10 -0.06 0.00 0.50 0.00 0.00 46.19 44.36 2cui s LEU 59 CO -0.07 0.40 0.75 0.00 -1.32 0.00 0.00 176.35 176.11 2cui s GLN 60 N -1.06 3.78 0.29 1.98 0.00 -1.26 -5.07 119.66 118.32 2cui s GLN 60 Ca 0.16 0.44 -0.09 0.00 -0.00 0.00 0.00 55.36 55.86 2cui s GLN 60 Cb -0.12 -2.42 0.00 0.00 0.00 0.00 0.00 33.01 30.47 2cui s GLN 60 CO 0.05 -0.00 0.49 1.03 0.00 0.00 0.00 175.29 176.85 2cui s ARG 61 N -3.77 1.71 0.12 9.60 0.52 -1.26 -5.13 118.95 120.73 2cui s ARG 61 Ca 0.51 -1.44 -0.19 0.00 -0.52 0.00 0.00 55.73 54.08 2cui s ARG 61 Cb -0.10 0.47 0.05 0.00 0.52 0.00 0.00 34.95 35.88 2cui s ARG 61 CO 0.30 -0.71 0.48 -1.83 0.02 0.00 0.00 175.30 173.56 2cui s GLU 62 N -3.57 1.12 0.17 3.54 1.03 -1.26 -3.55 118.70 116.17 2cui s GLU 62 Ca 0.25 -0.53 0.05 0.00 0.03 0.00 0.00 54.97 54.77 2cui s GLU 62 Cb -0.01 0.50 -0.04 0.00 -0.80 0.00 0.00 34.13 33.79 2cui s GLU 62 CO 0.13 -0.44 0.17 -1.17 -1.33 0.00 0.00 175.26 172.61 2cui s LEU 63 N -2.58 3.90 -0.24 1.83 2.96 -0.78 -4.92 118.68 118.84 2cui s LEU 63 Ca 0.00 -0.09 0.02 0.00 -0.22 0.00 0.00 54.13 53.85 2cui s LEU 63 Cb 0.00 -2.50 0.06 0.00 0.50 0.00 0.00 46.19 44.26 2cui s LEU 63 CO -0.10 0.06 -0.09 -0.32 -1.32 0.00 0.00 176.35 174.58 2cui s MET 64 N -3.18 1.99 -0.01 1.98 1.75 -1.26 -2.81 119.30 117.76 2cui s MET 64 Ca 0.32 -1.12 0.01 0.00 -1.25 0.00 0.00 55.69 53.65 2cui s MET 64 Cb -0.10 -2.69 0.00 0.00 2.84 0.00 0.00 34.83 34.88 2cui s MET 64 CO 0.24 -0.55 -0.04 0.08 -0.65 0.00 0.00 175.02 174.10 2cui s VAL 65 N 1.26 0.38 0.48 10.11 1.01 -1.00 -4.97 120.40 127.68 2cui s VAL 65 Ca -0.06 -0.16 -0.22 0.00 0.00 0.00 0.00 61.98 61.53 2cui s VAL 65 Cb -0.19 -0.36 -0.07 0.00 0.00 0.00 0.00 36.38 35.76 2cui s VAL 65 CO -0.06 0.13 1.16 -2.16 0.00 0.00 0.00 175.10 174.17 2cui s PRO 66 N 0.17 3.68 0.32 2.72 0.04 -1.26 0.21 135.00 140.88 2cui s PRO 66 Ca -0.02 1.74 0.09 0.00 0.04 0.00 0.00 61.00 62.85 2cui s PRO 66 Cb -0.05 -2.32 0.95 0.00 0.04 0.00 0.00 34.50 33.11 2cui s PRO 66 CO -0.00 -0.61 1.61 0.78 0.04 0.00 0.00 177.00 178.82 2cui h GLY 67 N 1.88 1.68 0.71 0.56 0.00 -1.52 0.88 103.07 107.27 2cui h GLY 67 Ca -0.49 -0.05 0.13 0.00 0.00 0.00 0.00 47.33 46.92 2cui h GLY 67 CO 0.60 -0.54 0.52 0.00 0.00 0.00 0.00 176.54 177.11 2cui h THR 68 N 0.12 0.86 -3.54 4.70 1.03 -1.88 -3.39 112.91 110.82 2cui h THR 68 Ca 0.67 -0.20 -0.62 0.00 -0.01 0.00 0.00 66.41 66.25 2cui h THR 68 Cb 1.53 0.22 -0.16 0.00 -1.07 0.00 0.00 68.15 68.67 2cui h THR 68 CO -0.75 0.11 -0.54 -0.13 -0.01 0.00 0.00 175.52 174.20 2cui s ARG 69 N -5.56 3.98 -0.68 0.00 0.52 0.31 -5.02 118.95 112.49 2cui s ARG 69 Ca -0.09 -0.32 0.05 0.00 -0.52 0.00 0.00 55.73 54.85 2cui s ARG 69 Cb 0.21 -3.44 0.28 0.00 0.52 0.00 0.00 34.95 32.51 2cui s ARG 69 CO 0.77 0.06 0.89 0.72 0.02 0.00 0.00 175.30 177.77 2cui n HIS 70 N 4.24 3.58 -3.99 -0.53 8.25 -1.26 -4.30 115.22 121.21 2cui n HIS 70 Ca -0.15 -3.92 -0.09 0.00 -0.26 0.00 0.00 57.72 53.30 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 -2.59 0.29 -0.27 0.41 1.04 -1.26 -3.33 113.70 107.99 2cui s SER 71 Ca 0.41 -0.66 -0.11 0.00 0.48 0.00 0.00 55.95 56.07 2cui s SER 71 Cb 0.17 0.18 0.11 0.00 0.10 0.00 0.00 66.02 66.57 2cui s SER 71 CO -0.03 -0.47 0.60 0.00 0.98 0.00 0.00 173.24 174.33 2cui s ALA 72 N -2.62 -1.79 -0.20 5.32 0.00 -1.24 -4.87 121.76 116.36 2cui s ALA 72 Ca -0.05 2.17 0.02 0.00 0.00 0.00 0.00 51.96 54.09 2cui s ALA 72 Cb -0.01 -1.57 0.03 0.00 0.00 0.00 0.00 23.12 21.57 2cui s ALA 72 CO -0.05 -0.74 -0.16 0.08 0.00 0.00 0.00 175.76 174.89 2cui s VAL 73 N 2.47 2.02 -0.13 0.00 1.01 -1.26 -0.88 120.40 123.63 2cui s VAL 73 Ca -0.06 -1.13 -0.07 0.00 0.00 0.00 0.00 61.98 60.71 2cui s VAL 73 Cb -0.10 -1.94 -0.04 0.00 0.00 0.00 0.00 36.38 34.29 2cui s VAL 73 CO -0.18 0.33 0.13 -0.76 0.00 0.00 0.00 175.10 174.63 2cui s LEU 74 N 1.26 4.33 0.39 3.92 2.01 -1.20 -4.99 118.68 124.40 2cui s LEU 74 Ca 0.00 0.41 0.05 0.00 0.01 0.00 0.00 54.13 54.60 2cui s LEU 74 Cb -0.15 -2.07 -0.06 0.00 0.01 0.00 0.00 46.19 43.92 2cui s LEU 74 CO -0.10 0.36 0.04 -0.13 1.01 0.00 0.00 176.35 177.53 2cui s ARG 75 N -0.75 1.88 -1.26 1.70 0.52 -1.26 -3.15 118.95 116.62 2cui s ARG 75 Ca 0.14 -2.09 -0.08 0.00 -0.52 0.00 0.00 55.73 53.17 2cui s ARG 75 Cb -0.12 -1.22 0.01 0.00 0.52 0.00 0.00 34.95 34.14 2cui s ARG 75 CO 0.03 -0.20 1.10 -0.25 0.02 0.00 0.00 175.30 176.00 2cui n ASP 76 N -0.95 -5.98 -4.97 0.23 9.92 -1.20 -4.98 116.55 108.62 2cui n ASP 76 Ca -0.06 -0.51 -0.21 0.00 -0.53 0.00 0.00 54.79 53.48 2cui n ASP 76 Cb 0.67 -4.73 0.01 0.00 -0.64 0.00 0.00 41.12 36.43 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 -6.86 3.62 0.76 0.64 1.43 0.17 -5.07 118.68 113.36 2cui s LEU 77 Ca 0.53 0.01 -0.11 0.00 -1.03 0.00 0.00 54.13 53.53 2cui s LEU 77 Cb -0.23 -2.93 0.05 0.00 0.03 0.00 0.00 46.19 43.11 2cui s LEU 77 CO 0.68 -0.77 1.13 -0.60 0.23 0.00 0.00 176.35 177.02 2cui s ARG 78 N -4.50 2.39 -0.00 1.70 3.52 -1.26 -4.56 118.95 116.23 2cui s ARG 78 Ca 0.51 0.26 -0.15 0.00 -0.13 0.00 0.00 55.73 56.22 2cui s ARG 78 Cb -0.10 -2.00 -0.06 0.00 -1.56 0.00 0.00 34.95 31.24 2cui s ARG 78 CO 0.36 -1.32 0.40 -1.54 -0.81 0.00 0.00 175.30 172.39 2cui s SER 79 N -4.47 6.80 -1.61 -2.12 1.04 -1.26 -4.30 113.70 107.78 2cui s SER 79 Ca 0.60 0.95 -0.10 0.00 0.48 0.00 0.00 55.95 57.88 2cui s SER 79 Cb -0.11 -2.25 0.09 0.00 0.10 0.00 0.00 66.02 63.86 2cui s SER 79 CO 0.50 0.33 0.53 0.61 0.98 0.00 0.00 173.24 176.18 2cui n GLY 80 N 1.84 -0.32 3.27 7.32 0.00 -0.89 -4.88 105.19 111.54 2cui n GLY 80 Ca -0.14 0.14 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 -3.67 1.68 -0.18 2.61 2.01 -1.26 -4.90 115.64 111.92 2cui s THR 81 Ca 0.40 -1.47 -0.18 0.00 0.31 0.00 0.00 61.69 60.75 2cui s THR 81 Cb -0.22 -1.52 -0.04 0.00 0.01 0.00 0.00 72.50 70.74 2cui s THR 81 CO 0.94 -0.02 0.49 -0.22 -0.69 0.00 0.00 174.62 175.11 2cui s LEU 82 N -1.78 4.17 0.02 4.42 1.98 -1.26 -1.72 118.68 124.51 2cui s LEU 82 Ca 0.06 0.68 0.04 0.00 -2.89 0.00 0.00 54.13 52.02 2cui s LEU 82 Cb -0.10 -2.67 -0.03 0.00 0.66 0.00 0.00 46.19 44.04 2cui s LEU 82 CO 0.04 -0.13 -0.06 -0.31 -1.89 0.00 0.00 176.35 174.00 2cui s TYR 83 N 1.37 2.89 -0.43 5.38 1.51 -0.76 -4.51 117.35 122.81 2cui s TYR 83 Ca 0.24 -0.04 -0.10 0.00 -1.01 0.00 0.00 57.07 56.16 2cui s TYR 83 Cb -0.15 -1.59 0.08 0.00 -0.11 0.00 0.00 41.96 40.19 2cui s TYR 83 CO 0.09 0.39 0.28 0.45 -1.11 0.00 0.00 175.55 175.66 2cui s SER 84 N -1.56 5.70 -0.11 2.29 0.15 -1.11 -2.89 113.70 116.16 2cui s SER 84 Ca 0.18 -1.50 -0.08 0.00 0.70 0.00 0.00 55.95 55.25 2cui s SER 84 Cb -0.11 -2.01 -0.04 0.00 -1.71 0.00 0.00 66.02 62.14 2cui s SER 84 CO 0.09 -0.56 0.18 -0.76 1.20 0.00 0.00 173.24 173.39 2cui s LEU 85 N 1.45 4.39 -0.13 3.45 1.43 -0.74 -2.49 118.68 126.04 2cui s LEU 85 Ca 0.03 0.53 -0.03 0.00 -1.03 0.00 0.00 54.13 53.63 2cui s LEU 85 Cb -0.23 -2.15 0.05 0.00 0.03 0.00 0.00 46.19 43.89 2cui s LEU 85 CO 0.02 0.38 0.06 -0.89 0.23 0.00 0.00 176.35 176.15 2cui s THR 86 N -0.93 0.11 0.26 5.49 2.01 -0.52 -0.55 115.64 121.52 2cui s THR 86 Ca 0.16 -0.09 -0.14 0.00 0.31 0.00 0.00 61.69 61.93 2cui s THR 86 Cb -0.13 -0.58 -0.08 0.00 0.01 0.00 0.00 72.50 71.72 2cui s THR 86 CO 0.05 -0.09 0.66 -0.22 -0.69 0.00 0.00 174.62 174.33 2cui s LEU 87 N 2.06 4.16 -0.25 4.42 2.96 -0.73 -0.77 118.68 130.53 2cui s LEU 87 Ca 0.02 1.16 -0.01 0.00 -0.22 0.00 0.00 54.13 55.09 2cui s LEU 87 Cb -0.15 -3.81 0.07 0.00 0.50 0.00 0.00 46.19 42.80 2cui s LEU 87 CO -0.07 -0.10 0.02 -0.31 -1.32 0.00 0.00 176.35 174.57 2cui s TYR 88 N -1.82 1.85 -0.97 5.38 2.02 -0.52 -1.49 117.35 121.79 2cui s TYR 88 Ca 0.49 -1.54 -0.24 0.00 -0.37 0.00 0.00 57.07 55.41 2cui s TYR 88 Cb -0.12 -1.52 -0.05 0.00 -0.40 0.00 0.00 41.96 39.88 2cui s TYR 88 CO 0.19 -0.76 1.91 0.20 -1.57 0.00 0.00 175.55 175.52 2cui s GLY 89 N 1.57 0.26 -0.32 0.71 0.00 0.26 -2.20 107.32 107.60 2cui s GLY 89 Ca 0.01 -1.70 -0.28 0.00 0.00 0.00 0.00 44.72 42.75 2cui s GLY 89 CO -0.12 3.45 1.83 1.08 0.00 0.00 0.00 173.10 179.34 2cui s LEU 90 N 9.90 3.50 0.00 0.66 2.01 -0.49 -1.15 118.68 133.10 2cui s LEU 90 Ca 0.68 1.34 0.10 0.00 0.01 0.00 0.00 54.13 56.26 2cui s LEU 90 Cb -0.05 -3.50 0.37 0.00 0.01 0.00 0.00 46.19 43.02 2cui s LEU 90 CO 0.02 -1.74 1.27 -1.14 1.01 0.00 0.00 176.35 175.77 2cui n ARG 91 N 8.46 1.43 0.00 1.70 0.63 -1.20 0.19 116.66 127.86 2cui n ARG 91 Ca 0.23 -0.66 0.00 0.00 -0.92 0.00 0.00 57.85 56.50 2cui n ARG 91 Cb 0.47 -1.20 0.00 0.00 0.45 0.00 0.00 32.46 32.17 2cui n ARG 91 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2cui n GLY 92 N 0.85 0.67 0.08 5.14 0.00 -1.26 -4.54 105.19 106.13 2cui n GLY 92 Ca 0.09 -0.27 -0.13 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.06 -5.70 1.61 0.13 -2.01 -3.46 132.00 122.50 2cui h PRO 93 Ca 0.00 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.66 2cui h PRO 93 Cb 0.00 0.01 -0.15 0.00 0.13 0.00 0.00 31.00 30.99 2cui h PRO 93 CO 0.00 0.41 -0.75 -3.38 -0.23 0.00 0.00 178.00 174.05 2cui s HIS 94 N -4.22 1.77 0.36 1.56 -3.43 -1.26 -5.12 115.29 104.95 2cui s HIS 94 Ca -0.15 -0.53 -0.28 0.00 -0.80 0.00 0.00 55.06 53.30 2cui s HIS 94 Cb 0.02 -0.84 -0.11 0.00 -1.43 0.00 0.00 32.58 30.22 2cui s HIS 94 CO 0.64 0.37 1.47 -1.59 -2.00 0.00 0.00 174.74 173.63 2cui s LYS 95 N -3.37 4.15 -0.26 -0.38 -2.85 -1.26 -3.27 119.74 112.49 2cui s LYS 95 Ca 0.21 2.52 -0.14 0.00 -1.00 0.00 0.00 55.97 57.55 2cui s LYS 95 Cb -0.03 -2.99 -0.11 0.00 -2.06 0.00 0.00 37.83 32.64 2cui s LYS 95 CO 0.07 -0.49 -0.35 0.00 0.10 0.00 0.00 175.35 174.68 2cui n ALA 96 N 0.71 1.22 -2.37 0.59 0.00 -0.30 -4.83 120.51 115.52 2cui n ALA 96 Ca 0.02 -1.05 -0.19 0.00 0.00 0.00 0.00 53.44 52.22 2cui n ALA 96 Cb 0.39 0.14 -0.10 0.00 0.00 0.00 0.00 19.45 19.88 2cui n ALA 96 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2cui s ASP 97 N -7.29 1.68 0.05 0.00 1.01 -1.19 -4.98 116.67 105.95 2cui s ASP 97 Ca -0.37 -1.42 -0.27 0.00 0.71 0.00 0.00 52.55 51.20 2cui s ASP 97 Cb 0.13 0.13 0.07 0.00 1.01 0.00 0.00 42.92 44.27 2cui s ASP 97 CO 0.47 -0.72 0.64 -0.55 0.21 0.00 0.00 175.17 175.22 2cui s SER 98 N -3.39 -0.62 0.16 0.27 0.15 -1.26 0.91 113.70 109.93 2cui s SER 98 Ca 0.36 0.39 0.03 0.00 0.70 0.00 0.00 55.95 57.43 2cui s SER 98 Cb 0.08 0.57 -0.05 0.00 -1.71 0.00 0.00 66.02 64.91 2cui s SER 98 CO 0.15 -0.77 -0.04 -0.51 1.20 0.00 0.00 173.24 173.27 2cui s ILE 99 N -2.36 0.85 -0.21 6.45 2.07 -0.56 -4.94 121.20 122.50 2cui s ILE 99 Ca -0.06 -2.00 0.02 0.00 -1.41 0.00 0.00 60.65 57.20 2cui s ILE 99 Cb -0.00 -2.00 0.04 0.00 0.13 0.00 0.00 42.46 40.62 2cui s ILE 99 CO -0.00 -0.60 -0.16 -1.10 -1.91 0.00 0.00 174.94 171.17 2cui s GLN 100 N -3.85 2.60 -0.20 3.50 -0.21 -1.26 -1.77 119.66 118.48 2cui s GLN 100 Ca 0.20 -1.05 0.01 0.00 0.02 0.00 0.00 55.36 54.55 2cui s GLN 100 Cb 0.05 -2.69 0.04 0.00 1.00 0.00 0.00 33.01 31.41 2cui s GLN 100 CO 0.02 -0.38 -0.12 0.20 -2.12 0.00 0.00 175.29 172.89 2cui s GLY 101 N 1.22 1.31 -0.09 3.09 0.00 0.29 -4.88 107.32 108.26 2cui s GLY 101 Ca -0.01 -1.23 -0.06 0.00 0.00 0.00 0.00 44.72 43.42 2cui s GLY 101 CO -0.09 0.61 0.15 -0.51 0.00 0.00 0.00 173.10 173.26 2cui s THR 102 N 1.36 5.49 -0.13 0.90 -4.23 -1.26 -1.79 115.64 115.97 2cui s THR 102 Ca -0.00 0.09 -0.11 0.00 -1.18 0.00 0.00 61.69 60.49 2cui s THR 102 Cb -0.16 -3.44 0.04 0.00 1.34 0.00 0.00 72.50 70.28 2cui s THR 102 CO -0.09 0.53 0.35 0.00 -0.54 0.00 0.00 174.62 174.87 2cui s ALA 103 N -1.12 -0.86 -0.30 3.99 0.00 -1.14 -4.82 121.76 117.50 2cui s ALA 103 Ca 0.19 1.06 -0.09 0.00 0.00 0.00 0.00 51.96 53.11 2cui s ALA 103 Cb -0.12 -0.62 -0.01 0.00 0.00 0.00 0.00 23.12 22.36 2cui s ALA 103 CO 0.09 -0.18 0.14 0.50 0.00 0.00 0.00 175.76 176.31 2cui s ARG 104 N 0.44 3.45 1.03 0.00 3.52 -1.26 -1.83 118.95 124.30 2cui s ARG 104 Ca -0.02 -0.64 -0.12 0.00 -0.13 0.00 0.00 55.73 54.82 2cui s ARG 104 Cb -0.04 -3.53 0.21 0.00 -1.56 0.00 0.00 34.95 30.03 2cui s ARG 104 CO -0.02 -0.35 1.07 0.95 -0.81 0.00 0.00 175.30 176.14 2cui s THR 105 N 1.63 2.19 0.40 4.11 -4.23 -0.70 -4.90 115.64 114.13 2cui s THR 105 Ca 0.05 0.06 -0.03 0.00 -1.18 0.00 0.00 61.69 60.59 2cui s THR 105 Cb -0.17 -2.26 -0.04 0.00 1.34 0.00 0.00 72.50 71.38 2cui s THR 105 CO 0.06 -0.08 0.66 -0.76 -0.54 0.00 0.00 174.62 173.96 2cui s LEU 106 N -6.79 3.85 -0.00 4.79 1.43 -1.17 -3.49 118.68 117.30 2cui s LEU 106 Ca 0.67 0.73 0.10 0.00 -1.03 0.00 0.00 54.13 54.59 2cui s LEU 106 Cb -0.22 -3.62 -0.23 0.00 0.03 0.00 0.00 46.19 42.15 2cui s LEU 106 CO 0.61 -0.40 0.81 -1.28 0.23 0.00 0.00 176.35 176.32 2cui h SER 107 N 0.71 0.02 0.00 2.29 0.87 -1.90 -2.36 113.55 113.18 2cui h SER 107 Ca -0.48 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.04 2cui h SER 107 Cb 1.21 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.16 2cui h SER 107 CO 0.62 1.04 0.00 0.61 -0.53 0.00 0.00 176.83 178.57 2cui n GLY 108 N 1.52 4.14 0.26 5.77 0.00 -1.26 -4.81 105.19 110.80 2cui n GLY 108 Ca -0.13 -1.14 0.14 0.00 0.00 0.00 0.00 46.02 44.88 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 -6.72 1.61 0.13 -2.03 -3.45 132.00 121.54 2cui h PRO 109 Ca 0.00 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.57 2cui h PRO 109 Cb 0.00 0.00 0.09 0.00 0.13 0.00 0.00 31.00 31.22 2cui h PRO 109 CO 0.00 0.11 0.65 0.45 -0.23 0.00 0.00 178.00 178.98 2cui n SER 110 N -3.28 3.10 -4.86 1.44 2.88 -1.26 -5.00 113.62 106.64 2cui n SER 110 Ca 0.00 1.17 -0.22 0.00 -1.33 0.00 0.00 58.87 58.50 2cui n SER 110 Cb 0.34 -1.50 0.07 0.00 -0.75 0.00 0.00 64.21 62.37 2cui n SER 110 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2cui s SER 111 N 0.09 4.89 0.00 -3.46 0.01 -1.26 -5.17 113.70 108.80 2cui s SER 111 Ca 0.62 -0.24 0.00 0.00 1.31 0.00 0.00 55.95 57.63 2cui s SER 111 Cb -0.57 -0.41 0.00 0.00 0.21 0.00 0.00 66.02 65.25 2cui s SER 111 CO 0.55 -1.44 0.00 0.61 0.41 0.00 0.00 173.24 173.37