#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 0.48 -0.46 1.61 1.04 -1.26 -5.12 113.70 109.99 2cui s SER 2 Ca 0.00 -0.33 -0.01 0.00 0.48 0.00 0.00 55.95 56.09 2cui s SER 2 Cb 0.00 0.02 0.12 0.00 0.10 0.00 0.00 66.02 66.27 2cui s SER 2 CO 0.00 -0.13 0.25 -0.55 0.98 0.00 0.00 173.24 173.79 2cui s SER 3 N -0.92 5.10 0.00 7.02 0.15 -1.26 -5.00 113.70 118.79 2cui s SER 3 Ca -0.07 -2.34 0.00 0.00 0.70 0.00 0.00 55.95 54.24 2cui s SER 3 Cb -0.06 -1.79 0.00 0.00 -1.71 0.00 0.00 66.02 62.46 2cui s SER 3 CO -0.00 -0.45 0.00 0.61 1.20 0.00 0.00 173.24 174.60 2cui n GLY 4 N 4.14 0.13 3.77 9.45 0.00 -1.26 -5.04 105.19 116.38 2cui n GLY 4 Ca 0.02 -1.76 -0.39 0.00 0.00 0.00 0.00 46.02 43.88 2cui n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cui s SER 5 N -4.00 7.14 -0.27 1.61 0.01 -1.26 -4.96 113.70 111.97 2cui s SER 5 Ca 0.00 1.35 -0.01 0.00 1.31 0.00 0.00 55.95 58.60 2cui s SER 5 Cb 0.00 -2.41 0.13 0.00 0.21 0.00 0.00 66.02 63.95 2cui s SER 5 CO 0.00 0.15 2.20 -1.20 0.41 0.00 0.00 173.24 174.81 2cui n SER 6 N 2.22 6.23 -3.63 2.44 7.64 -1.26 -4.83 113.62 122.44 2cui n SER 6 Ca -0.07 -2.95 -0.05 0.00 1.01 0.00 0.00 58.87 56.81 2cui n SER 6 Cb 0.50 -1.11 -0.05 0.00 -1.01 0.00 0.00 64.21 62.54 2cui n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2cui s GLY 7 N 0.59 0.04 -0.70 0.23 0.00 -1.26 -5.11 107.32 101.10 2cui s GLY 7 Ca 0.32 2.78 -0.18 0.00 0.00 0.00 0.00 44.72 47.63 2cui s GLY 7 CO -0.03 1.36 0.81 -0.56 0.00 0.00 0.00 173.10 174.68 2cui s SER 8 N -0.66 6.37 0.50 1.64 0.01 -1.26 -5.04 113.70 115.26 2cui s SER 8 Ca 0.05 -1.76 -0.22 0.00 1.31 0.00 0.00 55.95 55.33 2cui s SER 8 Cb -0.02 -2.31 -0.09 0.00 0.21 0.00 0.00 66.02 63.81 2cui s SER 8 CO -0.07 -1.02 0.92 -2.11 0.41 0.00 0.00 173.24 171.37 2cui n ARG 9 N 6.00 1.09 -2.26 12.44 -4.01 -1.26 -4.92 116.66 123.74 2cui n ARG 9 Ca 0.01 0.40 -0.40 0.00 -1.04 0.00 0.00 57.85 56.82 2cui n ARG 9 Cb 0.45 -2.02 -0.03 0.00 -3.04 0.00 0.00 32.46 27.81 2cui n ARG 9 CO 0.00 0.00 0.00 -1.25 -3.04 0.00 0.00 177.63 173.34 2cui s PRO 10 N -2.24 4.41 0.44 2.89 0.04 -1.26 -5.05 135.00 134.24 2cui s PRO 10 Ca 0.68 2.03 0.03 0.00 0.04 0.00 0.00 61.00 63.78 2cui s PRO 10 Cb -0.50 -3.06 -0.02 0.00 0.04 0.00 0.00 34.50 30.96 2cui s PRO 10 CO 0.54 -0.07 0.12 1.03 0.04 0.00 0.00 177.00 178.66 2cui s ARG 11 N -1.74 2.03 0.36 4.56 3.00 -1.26 -4.81 118.95 121.08 2cui s ARG 11 Ca 0.48 -2.27 0.04 0.00 0.00 0.00 0.00 55.73 53.98 2cui s ARG 11 Cb -0.36 -0.71 -0.01 0.00 0.00 0.00 0.00 34.95 33.86 2cui s ARG 11 CO 0.47 -0.51 0.53 -0.51 0.00 0.00 0.00 175.30 175.28 2cui s LEU 12 N -3.68 3.92 0.00 2.53 1.43 -1.26 -4.45 118.68 117.18 2cui s LEU 12 Ca 0.19 0.08 0.08 0.00 -1.03 0.00 0.00 54.13 53.45 2cui s LEU 12 Cb 0.01 -2.97 0.08 0.00 0.03 0.00 0.00 46.19 43.35 2cui s LEU 12 CO 0.13 -0.45 0.68 -0.24 0.23 0.00 0.00 176.35 176.69 2cui n SER 13 N -1.77 2.02 -4.53 2.29 2.88 -0.47 -4.99 113.62 109.06 2cui n SER 13 Ca -0.02 -2.45 -0.47 0.00 -1.33 0.00 0.00 58.87 54.61 2cui n SER 13 Cb 0.58 -0.33 -0.05 0.00 -0.75 0.00 0.00 64.21 63.65 2cui n SER 13 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2cui n GLN 14 N -2.08 1.56 -2.87 -1.46 10.64 -1.26 -4.64 117.38 117.26 2cui n GLN 14 Ca 0.12 0.43 -0.43 0.00 -1.83 0.00 0.00 57.00 55.30 2cui n GLN 14 Cb 0.55 -2.85 -0.04 0.00 -0.86 0.00 0.00 30.24 27.04 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 7.68 4.26 0.31 2.61 2.96 -1.26 -4.61 118.68 130.62 2cui s LEU 15 Ca 1.05 -0.59 0.08 0.00 -0.22 0.00 0.00 54.13 54.45 2cui s LEU 15 Cb -0.60 -2.67 -0.04 0.00 0.50 0.00 0.00 46.19 43.39 2cui s LEU 15 CO 0.42 -1.26 0.12 -0.44 -1.32 0.00 0.00 176.35 173.87 2cui s SER 16 N 3.08 4.80 -0.14 3.68 0.01 -1.14 -4.62 113.70 119.37 2cui s SER 16 Ca 0.26 -0.65 -0.01 0.00 1.31 0.00 0.00 55.95 56.87 2cui s SER 16 Cb -0.14 -0.87 -0.01 0.00 0.21 0.00 0.00 66.02 65.20 2cui s SER 16 CO 0.16 -0.18 -0.11 -0.69 0.41 0.00 0.00 173.24 172.82 2cui s VAL 17 N -2.35 3.15 0.39 3.43 1.01 -1.26 -1.91 120.40 122.86 2cui s VAL 17 Ca 0.35 -0.62 0.08 0.00 0.00 0.00 0.00 61.98 61.79 2cui s VAL 17 Cb -0.05 -2.34 -0.08 0.00 0.00 0.00 0.00 36.38 33.92 2cui s VAL 17 CO 0.22 0.51 -0.01 0.42 0.00 0.00 0.00 175.10 176.25 2cui s THR 18 N 0.47 2.08 -1.56 3.92 -4.23 0.14 -4.74 115.64 111.72 2cui s THR 18 Ca -0.08 -2.03 -0.13 0.00 -1.18 0.00 0.00 61.69 58.26 2cui s THR 18 Cb -0.16 -2.92 0.09 0.00 1.34 0.00 0.00 72.50 70.86 2cui s THR 18 CO 0.04 -0.05 0.88 0.47 -0.54 0.00 0.00 174.62 175.43 2cui n ASP 19 N -0.94 -3.92 -4.49 3.99 8.00 -1.26 -1.39 116.55 116.55 2cui n ASP 19 Ca -0.05 -0.85 -0.44 0.00 0.71 0.00 0.00 54.79 54.16 2cui n ASP 19 Cb 0.66 -3.56 -0.08 0.00 -0.02 0.00 0.00 41.12 38.12 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 -4.57 0.04 -2.47 2.53 0.31 -1.26 -4.36 118.33 108.56 2cui n VAL 20 Ca 0.01 -0.34 -0.27 0.00 -0.01 0.00 0.00 64.34 63.73 2cui n VAL 20 Cb 0.54 -1.62 0.01 0.00 -0.91 0.00 0.00 33.84 31.86 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 9.26 4.33 0.18 2.52 2.01 0.59 -4.61 115.64 129.92 2cui s THR 21 Ca 1.14 0.16 -0.18 0.00 0.31 0.00 0.00 61.69 63.12 2cui s THR 21 Cb -0.79 -3.68 0.13 0.00 0.01 0.00 0.00 72.50 68.17 2cui s THR 21 CO 0.43 -0.70 1.63 0.71 -0.69 0.00 0.00 174.62 176.00 2cui h THR 22 N 0.00 0.40 0.00 -0.82 1.35 -1.91 -2.93 112.91 109.00 2cui h THR 22 Ca -0.46 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.40 2cui h THR 22 Cb 1.23 0.40 -0.00 0.00 -1.73 0.00 0.00 68.15 68.04 2cui h THR 22 CO 0.61 0.00 -0.14 -1.54 -0.25 0.00 0.00 175.52 174.20 2cui n SER 23 N -5.39 1.82 -3.16 5.36 3.41 -1.26 -3.36 113.62 111.04 2cui n SER 23 Ca 0.03 -2.89 -0.11 0.00 -0.26 0.00 0.00 58.87 55.65 2cui n SER 23 Cb 0.30 -0.39 -0.01 0.00 -0.26 0.00 0.00 64.21 63.85 2cui n SER 23 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2cui s SER 24 N -2.50 0.32 0.09 4.04 1.04 -1.13 -0.95 113.70 114.61 2cui s SER 24 Ca 0.26 -1.23 -0.23 0.00 0.48 0.00 0.00 55.95 55.23 2cui s SER 24 Cb 0.23 0.76 0.08 0.00 0.10 0.00 0.00 66.02 67.19 2cui s SER 24 CO 0.02 -1.50 1.09 0.00 0.98 0.00 0.00 173.24 173.83 2cui n LEU 25 N -0.53 0.00 -4.09 2.42 -0.00 -1.00 0.22 117.00 114.02 2cui n LEU 25 Ca -0.04 -0.97 -0.17 0.00 -0.00 0.00 0.00 56.01 54.82 2cui n LEU 25 Cb 0.61 2.30 -0.13 0.00 -0.00 0.00 0.00 43.42 46.20 2cui n LEU 25 CO 0.27 -0.32 -0.44 -0.60 -0.00 0.00 0.00 177.39 176.30 2cui s ARG 26 N -2.03 0.73 0.29 1.47 3.52 -0.48 -2.53 118.95 119.91 2cui s ARG 26 Ca 0.25 -0.66 0.09 0.00 -0.13 0.00 0.00 55.73 55.28 2cui s ARG 26 Cb -0.02 -0.67 -0.04 0.00 -1.56 0.00 0.00 34.95 32.66 2cui s ARG 26 CO 0.03 0.16 0.04 -0.51 -0.81 0.00 0.00 175.30 174.21 2cui s LEU 27 N -1.08 3.21 -0.23 -0.88 1.43 0.03 0.29 118.68 121.44 2cui s LEU 27 Ca -0.01 -0.70 -0.09 0.00 -1.03 0.00 0.00 54.13 52.30 2cui s LEU 27 Cb -0.07 -1.70 0.10 0.00 0.03 0.00 0.00 46.19 44.54 2cui s LEU 27 CO 0.01 -0.09 0.51 0.20 0.23 0.00 0.00 176.35 177.21 2cui s ASN 28 N -3.72 -0.63 0.02 2.29 0.01 -0.80 -3.69 114.94 108.41 2cui s ASN 28 Ca 0.33 1.20 -0.00 0.00 -0.71 0.00 0.00 52.86 53.68 2cui s ASN 28 Cb -0.05 1.53 -0.02 0.00 0.41 0.00 0.00 41.25 43.13 2cui s ASN 28 CO 0.21 -0.22 -0.02 -1.66 -1.51 0.00 0.00 177.10 173.90 2cui s TRP 29 N 2.39 0.20 -0.12 2.20 -2.14 -1.21 -2.90 118.94 117.37 2cui s TRP 29 Ca -0.05 -0.42 -0.04 0.00 2.66 0.00 0.00 56.10 58.25 2cui s TRP 29 Cb -0.11 -0.15 -0.04 0.00 -3.10 0.00 0.00 33.47 30.08 2cui s TRP 29 CO -0.15 -0.16 0.05 -2.00 -2.66 0.00 0.00 176.95 172.02 2cui s GLU 30 N -1.20 3.35 0.00 3.25 2.56 -1.26 -4.63 118.70 120.77 2cui s GLU 30 Ca -0.13 -0.33 -0.01 0.00 0.00 0.00 0.00 54.97 54.50 2cui s GLU 30 Cb -0.08 -2.99 -0.01 0.00 2.00 0.00 0.00 34.13 33.05 2cui s GLU 30 CO -0.01 0.61 0.01 0.00 -0.56 0.00 0.00 175.26 175.31 2cui s ALA 31 N -0.60 0.00 1.02 6.30 0.00 -1.26 -1.36 121.76 125.86 2cui s ALA 31 Ca 0.11 -0.24 -0.13 0.00 0.00 0.00 0.00 51.96 51.70 2cui s ALA 31 Cb -0.12 0.06 0.20 0.00 0.00 0.00 0.00 23.12 23.26 2cui s ALA 31 CO 0.02 -0.09 1.09 -1.25 0.00 0.00 0.00 175.76 175.53 2cui s PRO 32 N -0.74 0.29 0.22 0.00 0.04 -1.26 -4.98 135.00 128.57 2cui s PRO 32 Ca -0.08 0.48 -0.30 0.00 0.04 0.00 0.00 61.00 61.14 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 -0.00 -2.81 1.29 -1.25 0.04 0.00 0.00 177.00 174.26 2cui s PRO 33 N -4.97 4.41 -1.63 0.56 0.04 -1.26 -2.92 135.00 129.22 2cui s PRO 33 Ca 0.66 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.74 2cui s PRO 33 Cb -0.19 -3.18 0.00 0.00 0.04 0.00 0.00 34.50 31.17 2cui s PRO 33 CO 0.58 -0.20 0.00 0.41 0.04 0.00 0.00 177.00 177.82 2cui n GLY 34 N 2.08 0.24 0.22 0.56 0.00 -1.26 -4.92 105.19 102.11 2cui n GLY 34 Ca 0.05 -0.14 -0.10 0.00 0.00 0.00 0.00 46.02 45.82 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 0.61 -0.47 -2.61 4.61 0.00 -1.91 -3.48 119.26 116.01 2cui h ALA 35 Ca -0.41 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.21 2cui h ALA 35 Cb 1.27 0.18 -0.18 0.00 0.00 0.00 0.00 17.79 19.06 2cui h ALA 35 CO 0.51 -0.49 -0.46 -0.06 0.00 0.00 0.00 179.25 178.75 2cui s PHE 36 N -3.67 0.11 0.03 0.00 0.40 -1.26 -4.70 117.98 108.89 2cui s PHE 36 Ca -0.11 -0.35 -0.21 0.00 -0.60 0.00 0.00 56.93 55.67 2cui s PHE 36 Cb 0.01 -0.08 -0.15 0.00 0.51 0.00 0.00 43.02 43.31 2cui s PHE 36 CO 0.37 -0.38 1.32 0.22 0.70 0.00 0.00 175.22 177.44 2cui h ASP 37 N 3.67 0.35 -5.73 1.36 3.58 0.05 -3.30 116.42 116.40 2cui h ASP 37 Ca -0.32 -0.50 -0.39 0.00 0.42 0.00 0.00 57.03 56.24 2cui h ASP 37 Cb 1.19 -0.10 -0.10 0.00 1.72 0.00 0.00 39.33 42.04 2cui h ASP 37 CO 0.48 0.78 -0.32 -0.94 -2.88 0.00 0.00 179.24 176.36 2cui s SER 38 N -6.12 1.40 -0.11 2.28 1.04 -0.95 -2.03 113.70 109.22 2cui s SER 38 Ca -0.14 -1.66 -0.02 0.00 0.48 0.00 0.00 55.95 54.61 2cui s SER 38 Cb 0.05 0.63 0.04 0.00 0.10 0.00 0.00 66.02 66.83 2cui s SER 38 CO 0.75 -1.22 0.00 -0.36 0.98 0.00 0.00 173.24 173.40 2cui s PHE 39 N -3.13 0.83 -0.46 5.02 0.08 0.58 -1.62 117.98 119.29 2cui s PHE 39 Ca 0.36 -0.40 -0.12 0.00 0.12 0.00 0.00 56.93 56.89 2cui s PHE 39 Cb 0.01 -0.90 0.09 0.00 -0.57 0.00 0.00 43.02 41.65 2cui s PHE 39 CO 0.25 -0.42 0.35 -1.17 -0.10 0.00 0.00 175.22 174.13 2cui s LEU 40 N 1.92 5.52 0.20 -0.37 2.96 -0.92 -2.14 118.68 125.85 2cui s LEU 40 Ca 0.03 -1.55 -0.12 0.00 -0.22 0.00 0.00 54.13 52.27 2cui s LEU 40 Cb -0.14 -2.08 -0.07 0.00 0.50 0.00 0.00 46.19 44.40 2cui s LEU 40 CO -0.06 -0.64 0.56 -0.22 -1.32 0.00 0.00 176.35 174.67 2cui s LEU 41 N 1.50 4.24 -0.15 -0.68 2.96 -0.97 -2.16 118.68 123.43 2cui s LEU 41 Ca 0.04 1.01 -0.04 0.00 -0.22 0.00 0.00 54.13 54.92 2cui s LEU 41 Cb -0.25 -3.52 0.07 0.00 0.50 0.00 0.00 46.19 42.98 2cui s LEU 41 CO 0.03 -0.00 0.15 -0.13 -1.32 0.00 0.00 176.35 175.08 2cui s ARG 42 N -2.45 0.08 -0.20 1.98 0.52 -0.43 -1.78 118.95 116.68 2cui s ARG 42 Ca 0.44 0.24 -0.08 0.00 -0.52 0.00 0.00 55.73 55.80 2cui s ARG 42 Cb -0.13 -1.07 -0.04 0.00 0.52 0.00 0.00 34.95 34.23 2cui s ARG 42 CO 0.20 -0.53 0.08 -0.59 0.02 0.00 0.00 175.30 174.48 2cui s PHE 43 N 2.25 3.25 0.26 -0.53 -0.71 -1.23 -2.29 117.98 118.98 2cui s PHE 43 Ca 0.04 0.06 0.07 0.00 -1.04 0.00 0.00 56.93 56.07 2cui s PHE 43 Cb -0.14 -2.13 -0.05 0.00 -1.21 0.00 0.00 43.02 39.48 2cui s PHE 43 CO -0.09 0.09 -0.09 0.20 -1.34 0.00 0.00 175.22 174.00 2cui s GLY 44 N 0.62 1.72 -0.50 1.99 0.00 -0.78 -4.44 107.32 105.93 2cui s GLY 44 Ca 0.04 -1.84 -0.20 0.00 0.00 0.00 0.00 44.72 42.73 2cui s GLY 44 CO 0.01 -1.83 0.65 0.14 0.00 0.00 0.00 173.10 172.07 2cui s VAL 45 N -2.97 4.83 -0.33 1.40 1.01 -1.26 -2.65 120.40 120.43 2cui s VAL 45 Ca 0.28 -0.37 -0.29 0.00 0.00 0.00 0.00 61.98 61.60 2cui s VAL 45 Cb 0.02 -4.30 -0.01 0.00 0.00 0.00 0.00 36.38 32.08 2cui s VAL 45 CO 0.11 -0.80 1.68 -2.16 0.00 0.00 0.00 175.10 173.93 2cui s PRO 46 N 2.75 3.46 0.05 2.72 0.04 -1.26 -5.00 135.00 137.77 2cui s PRO 46 Ca 0.17 1.36 -0.13 0.00 0.04 0.00 0.00 61.00 62.44 2cui s PRO 46 Cb -0.18 -4.13 -0.06 0.00 0.04 0.00 0.00 34.50 30.17 2cui s PRO 46 CO 0.13 -1.70 0.43 0.45 0.04 0.00 0.00 177.00 176.35 2cui s SER 47 N 5.31 6.75 0.88 6.66 0.15 -1.26 -5.06 113.70 127.13 2cui s SER 47 Ca 0.75 0.92 -0.11 0.00 0.70 0.00 0.00 55.95 58.20 2cui s SER 47 Cb -0.21 -2.23 0.12 0.00 -1.71 0.00 0.00 66.02 61.99 2cui s SER 47 CO 0.33 0.24 1.09 -2.16 1.20 0.00 0.00 173.24 173.94 2cui s PRO 48 N -1.51 1.39 -0.01 5.44 0.04 -1.26 -4.99 135.00 134.10 2cui s PRO 48 Ca 0.29 0.86 0.17 0.00 0.04 0.00 0.00 61.00 62.37 2cui s PRO 48 Cb -0.15 -1.82 -0.19 0.00 0.04 0.00 0.00 34.50 32.38 2cui s PRO 48 CO 0.16 -2.16 0.63 0.45 0.04 0.00 0.00 177.00 176.12 2cui n SER 49 N -3.83 0.59 0.09 6.66 2.88 -1.26 -4.14 113.62 114.61 2cui n SER 49 Ca 0.07 0.26 -0.06 0.00 -1.33 0.00 0.00 58.87 57.82 2cui n SER 49 Cb 0.55 0.53 0.06 0.00 -0.75 0.00 0.00 64.21 64.60 2cui n SER 49 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 2cui h THR 50 N 0.00 1.47 -3.52 2.46 2.02 -2.06 -3.44 112.91 109.83 2cui h THR 50 Ca -0.23 -2.37 -0.53 0.00 0.77 0.00 0.00 66.41 64.06 2cui h THR 50 Cb 1.67 2.28 -0.03 0.00 -1.74 0.00 0.00 68.15 70.32 2cui h THR 50 CO 0.04 0.69 0.12 -0.22 0.37 0.00 0.00 175.52 176.51 2cui s LEU 51 N -7.58 4.43 0.34 2.58 0.20 -1.26 -5.05 118.68 112.35 2cui s LEU 51 Ca -0.03 1.47 -0.26 0.00 0.69 0.00 0.00 54.13 56.00 2cui s LEU 51 Cb 0.11 -3.44 -0.09 0.00 -0.43 0.00 0.00 46.19 42.34 2cui s LEU 51 CO 0.80 0.11 1.02 -1.61 -0.29 0.00 0.00 176.35 176.38 2cui s GLU 52 N -1.65 4.45 0.48 1.98 2.02 -1.26 -4.83 118.70 119.88 2cui s GLU 52 Ca 0.40 1.53 -0.22 0.00 0.02 0.00 0.00 54.97 56.69 2cui s GLU 52 Cb -0.19 -2.83 -0.07 0.00 0.10 0.00 0.00 34.13 31.15 2cui s GLU 52 CO 0.22 0.11 1.16 -1.25 0.02 0.00 0.00 175.26 175.52 2cui s PRO 53 N -2.02 3.67 0.04 0.39 0.04 -1.26 -5.05 135.00 130.82 2cui s PRO 53 Ca 0.51 1.74 0.03 0.00 0.04 0.00 0.00 61.00 63.32 2cui s PRO 53 Cb -0.24 -2.32 -0.04 0.00 0.04 0.00 0.00 34.50 31.95 2cui s PRO 53 CO 0.30 -0.61 -0.00 -1.01 0.04 0.00 0.00 177.00 175.71 2cui s HIS 54 N -1.60 3.02 -1.65 0.56 3.76 -1.26 -5.00 115.29 113.13 2cui s HIS 54 Ca 0.66 0.02 0.15 0.00 -0.15 0.00 0.00 55.06 55.74 2cui s HIS 54 Cb -0.27 -1.60 0.81 0.00 1.11 0.00 0.00 32.58 32.63 2cui s HIS 54 CO 0.33 0.46 1.38 -0.35 -0.85 0.00 0.00 174.74 175.71 2cui n PRO 55 N 1.02 0.31 -2.40 8.40 -0.04 -1.26 -4.73 135.00 136.30 2cui n PRO 55 Ca -0.13 0.09 -0.43 0.00 -0.04 0.00 0.00 63.50 63.00 2cui n PRO 55 Cb 0.52 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.46 2cui n PRO 55 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2cui s ARG 56 N -2.35 4.27 0.53 0.54 0.52 -1.26 -5.00 118.95 116.19 2cui s ARG 56 Ca 0.18 1.72 -0.20 0.00 -0.52 0.00 0.00 55.73 56.90 2cui s ARG 56 Cb 0.10 -3.70 -0.06 0.00 0.52 0.00 0.00 34.95 31.81 2cui s ARG 56 CO 0.21 -0.63 1.13 -1.25 0.02 0.00 0.00 175.30 174.78 2cui s PRO 57 N 3.07 3.43 -0.18 3.54 0.04 -1.26 -5.04 135.00 138.59 2cui s PRO 57 Ca 0.57 1.64 0.00 0.00 0.04 0.00 0.00 61.00 63.24 2cui s PRO 57 Cb -0.24 -2.07 0.01 0.00 0.04 0.00 0.00 34.50 32.24 2cui s PRO 57 CO 0.18 -0.79 -0.16 -0.51 0.04 0.00 0.00 177.00 175.76 2cui s LEU 58 N -3.67 2.35 -0.09 -3.56 1.43 -1.26 -5.10 118.68 108.78 2cui s LEU 58 Ca 0.71 -0.56 -0.30 0.00 -1.03 0.00 0.00 54.13 52.96 2cui s LEU 58 Cb -0.25 -1.55 -0.01 0.00 0.03 0.00 0.00 46.19 44.41 2cui s LEU 58 CO 0.28 0.02 1.01 -0.22 0.23 0.00 0.00 176.35 177.67 2cui s LEU 59 N 1.19 4.26 0.21 1.79 2.96 -1.26 -5.04 118.68 122.78 2cui s LEU 59 Ca 0.02 1.55 0.09 0.00 -0.22 0.00 0.00 54.13 55.56 2cui s LEU 59 Cb -0.14 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 42.95 2cui s LEU 59 CO -0.07 -0.43 -0.06 -1.10 -1.32 0.00 0.00 176.35 173.37 2cui s GLN 60 N 1.91 2.16 0.13 1.98 1.11 -1.26 -5.05 119.66 120.65 2cui s GLN 60 Ca 0.49 -1.30 -0.01 0.00 0.01 0.00 0.00 55.36 54.54 2cui s GLN 60 Cb -0.19 -2.18 -0.04 0.00 -1.01 0.00 0.00 33.01 29.60 2cui s GLN 60 CO 0.19 0.41 0.06 0.50 0.01 0.00 0.00 175.29 176.47 2cui s ARG 61 N -3.11 0.93 0.05 2.91 3.52 -1.26 -5.11 118.95 116.89 2cui s ARG 61 Ca 0.27 -1.43 0.01 0.00 -0.13 0.00 0.00 55.73 54.45 2cui s ARG 61 Cb -0.08 0.25 -0.03 0.00 -1.56 0.00 0.00 34.95 33.53 2cui s ARG 61 CO 0.17 -0.26 -0.05 -1.83 -0.81 0.00 0.00 175.30 172.51 2cui s GLU 62 N -4.04 0.56 0.16 5.12 -1.05 -1.26 -3.56 118.70 114.64 2cui s GLU 62 Ca 0.24 -0.96 0.06 0.00 -0.15 0.00 0.00 54.97 54.15 2cui s GLU 62 Cb 0.07 -0.05 -0.04 0.00 -0.44 0.00 0.00 34.13 33.67 2cui s GLU 62 CO 0.02 -0.03 0.09 -1.17 0.95 0.00 0.00 175.26 175.12 2cui s LEU 63 N -2.21 3.67 -0.22 1.83 2.96 -0.73 -4.91 118.68 119.07 2cui s LEU 63 Ca -0.02 -0.19 0.01 0.00 -0.22 0.00 0.00 54.13 53.70 2cui s LEU 63 Cb -0.02 -2.30 0.05 0.00 0.50 0.00 0.00 46.19 44.43 2cui s LEU 63 CO -0.04 0.08 -0.06 -0.32 -1.32 0.00 0.00 176.35 174.69 2cui s MET 64 N -3.01 1.68 -0.01 1.98 1.75 -1.26 -2.29 119.30 118.15 2cui s MET 64 Ca 0.30 -0.89 0.01 0.00 -1.25 0.00 0.00 55.69 53.85 2cui s MET 64 Cb -0.10 -2.48 0.01 0.00 2.84 0.00 0.00 34.83 35.10 2cui s MET 64 CO 0.22 -0.54 -0.02 0.08 -0.65 0.00 0.00 175.02 174.10 2cui s VAL 65 N 1.43 0.25 0.51 10.11 1.01 -0.91 -4.95 120.40 127.85 2cui s VAL 65 Ca -0.04 -0.08 -0.21 0.00 0.00 0.00 0.00 61.98 61.65 2cui s VAL 65 Cb -0.18 -0.25 -0.06 0.00 0.00 0.00 0.00 36.38 35.89 2cui s VAL 65 CO -0.07 0.10 1.14 -2.16 0.00 0.00 0.00 175.10 174.11 2cui s PRO 66 N 0.25 3.52 0.33 2.72 0.04 -1.26 0.22 135.00 140.82 2cui s PRO 66 Ca -0.02 1.68 0.12 0.00 0.04 0.00 0.00 61.00 62.81 2cui s PRO 66 Cb -0.05 -2.17 1.02 0.00 0.04 0.00 0.00 34.50 33.33 2cui s PRO 66 CO -0.01 -0.72 1.65 0.78 0.04 0.00 0.00 177.00 178.74 2cui h GLY 67 N 1.55 1.91 1.19 0.56 0.00 -1.49 0.81 103.07 107.59 2cui h GLY 67 Ca -0.50 -0.17 0.08 0.00 0.00 0.00 0.00 47.33 46.74 2cui h GLY 67 CO 0.58 -0.49 0.35 0.00 0.00 0.00 0.00 176.54 176.98 2cui h THR 68 N 0.26 0.92 -3.54 4.70 1.03 -1.85 -3.39 112.91 111.04 2cui h THR 68 Ca 0.70 -0.13 -0.63 0.00 -0.01 0.00 0.00 66.41 66.34 2cui h THR 68 Cb 1.58 0.51 -0.19 0.00 -1.07 0.00 0.00 68.15 68.99 2cui h THR 68 CO -0.64 0.07 -0.59 -0.13 -0.01 0.00 0.00 175.52 174.22 2cui s ARG 69 N -5.36 3.82 -0.70 0.00 0.52 0.28 -5.02 118.95 112.50 2cui s ARG 69 Ca -0.07 -0.40 0.04 0.00 -0.52 0.00 0.00 55.73 54.78 2cui s ARG 69 Cb 0.19 -3.32 0.28 0.00 0.52 0.00 0.00 34.95 32.62 2cui s ARG 69 CO 0.74 0.00 0.92 0.72 0.02 0.00 0.00 175.30 177.71 2cui n HIS 70 N 4.37 3.54 -4.00 -0.53 8.25 -1.26 -4.29 115.22 121.30 2cui n HIS 70 Ca -0.16 -3.87 -0.08 0.00 -0.26 0.00 0.00 57.72 53.35 2cui n HIS 70 Cb 0.52 -0.65 -0.10 0.00 1.12 0.00 0.00 29.99 30.88 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 -2.57 0.32 -0.29 0.41 1.04 -1.26 -3.29 113.70 108.06 2cui s SER 71 Ca 0.41 -0.75 -0.11 0.00 0.48 0.00 0.00 55.95 55.98 2cui s SER 71 Cb 0.17 0.21 0.12 0.00 0.10 0.00 0.00 66.02 66.61 2cui s SER 71 CO -0.03 -0.55 0.64 0.00 0.98 0.00 0.00 173.24 174.29 2cui s ALA 72 N -3.18 -1.94 -0.27 5.32 0.00 -1.24 -4.88 121.76 115.57 2cui s ALA 72 Ca 0.00 2.30 -0.04 0.00 0.00 0.00 0.00 51.96 54.22 2cui s ALA 72 Cb 0.02 -1.67 0.02 0.00 0.00 0.00 0.00 23.12 21.50 2cui s ALA 72 CO -0.07 -0.80 -0.00 0.08 0.00 0.00 0.00 175.76 174.97 2cui s VAL 73 N 2.61 3.32 -0.06 0.00 1.01 -1.26 -0.79 120.40 125.22 2cui s VAL 73 Ca -0.07 -0.89 -0.07 0.00 0.00 0.00 0.00 61.98 60.95 2cui s VAL 73 Cb -0.11 -2.70 -0.04 0.00 0.00 0.00 0.00 36.38 33.53 2cui s VAL 73 CO -0.19 0.15 0.20 -0.76 0.00 0.00 0.00 175.10 174.50 2cui s LEU 74 N 1.39 4.39 0.28 3.92 1.02 -1.05 -4.97 118.68 123.67 2cui s LEU 74 Ca 0.01 0.51 0.03 0.00 0.02 0.00 0.00 54.13 54.70 2cui s LEU 74 Cb -0.17 -2.34 -0.04 0.00 0.02 0.00 0.00 46.19 43.66 2cui s LEU 74 CO -0.02 0.34 0.16 -0.13 0.02 0.00 0.00 176.35 176.73 2cui s ARG 75 N -1.35 1.52 -1.38 1.70 0.52 -1.26 -2.38 118.95 116.32 2cui s ARG 75 Ca 0.21 -1.86 -0.03 0.00 -0.52 0.00 0.00 55.73 53.53 2cui s ARG 75 Cb -0.13 -0.01 0.00 0.00 0.52 0.00 0.00 34.95 35.34 2cui s ARG 75 CO 0.10 -0.45 0.35 -0.25 0.02 0.00 0.00 175.30 175.08 2cui n ASP 76 N -0.83 -5.36 -4.82 0.23 8.00 -1.11 -4.95 116.55 107.70 2cui n ASP 76 Ca 0.02 -0.17 -0.23 0.00 0.71 0.00 0.00 54.79 55.12 2cui n ASP 76 Cb 0.65 -4.28 0.07 0.00 -0.02 0.00 0.00 41.12 37.55 2cui n ASP 76 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2cui s LEU 77 N -5.52 3.07 0.77 0.64 1.43 -0.12 -5.07 118.68 113.88 2cui s LEU 77 Ca 0.17 -0.10 -0.08 0.00 -1.03 0.00 0.00 54.13 53.10 2cui s LEU 77 Cb -0.08 -2.50 0.11 0.00 0.03 0.00 0.00 46.19 43.75 2cui s LEU 77 CO 0.22 -1.54 1.08 -0.60 0.23 0.00 0.00 176.35 175.74 2cui s ARG 78 N -5.01 1.72 0.00 1.70 3.52 -1.26 -4.66 118.95 114.96 2cui s ARG 78 Ca 0.62 -0.48 -0.17 0.00 -0.13 0.00 0.00 55.73 55.57 2cui s ARG 78 Cb -0.08 -2.13 -0.06 0.00 -1.56 0.00 0.00 34.95 31.12 2cui s ARG 78 CO 0.42 -1.56 0.49 -1.12 -0.81 0.00 0.00 175.30 172.72 2cui s SER 79 N -4.65 6.88 -1.05 -2.12 0.01 -1.26 -4.40 113.70 107.11 2cui s SER 79 Ca 0.65 1.05 -0.21 0.00 1.31 0.00 0.00 55.95 58.75 2cui s SER 79 Cb -0.08 -2.30 0.03 0.00 0.21 0.00 0.00 66.02 63.88 2cui s SER 79 CO 0.47 0.23 0.39 0.61 0.41 0.00 0.00 173.24 175.35 2cui n GLY 80 N 2.09 -0.50 3.10 3.44 0.00 -1.05 -4.86 105.19 107.41 2cui n GLY 80 Ca -0.11 0.23 -0.19 0.00 0.00 0.00 0.00 46.02 45.95 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 -3.91 0.95 -0.20 2.61 2.01 -1.26 -4.89 115.64 110.96 2cui s THR 81 Ca 0.29 -0.76 -0.26 0.00 0.31 0.00 0.00 61.69 61.26 2cui s THR 81 Cb -0.16 -0.84 -0.01 0.00 0.01 0.00 0.00 72.50 71.50 2cui s THR 81 CO 0.79 0.08 0.88 -0.22 -0.69 0.00 0.00 174.62 175.46 2cui s LEU 82 N -0.77 4.14 0.12 4.42 1.98 -1.26 -2.55 118.68 124.75 2cui s LEU 82 Ca 0.02 1.19 0.05 0.00 -2.89 0.00 0.00 54.13 52.50 2cui s LEU 82 Cb -0.06 -3.30 -0.04 0.00 0.66 0.00 0.00 46.19 43.45 2cui s LEU 82 CO 0.00 -0.49 0.03 -0.31 -1.89 0.00 0.00 176.35 173.70 2cui s TYR 83 N 2.54 3.01 -0.38 5.38 1.51 -0.81 -4.57 117.35 124.03 2cui s TYR 83 Ca 0.39 -0.03 -0.07 0.00 -1.01 0.00 0.00 57.07 56.34 2cui s TYR 83 Cb -0.16 -1.51 0.07 0.00 -0.11 0.00 0.00 41.96 40.24 2cui s TYR 83 CO 0.10 0.50 0.19 0.45 -1.11 0.00 0.00 175.55 175.68 2cui s SER 84 N -2.56 5.45 0.24 2.29 0.15 -1.09 -3.54 113.70 114.64 2cui s SER 84 Ca 0.27 -1.41 -0.04 0.00 0.70 0.00 0.00 55.95 55.47 2cui s SER 84 Cb -0.11 -1.92 -0.05 0.00 -1.71 0.00 0.00 66.02 62.23 2cui s SER 84 CO 0.20 -0.45 0.48 -0.76 1.20 0.00 0.00 173.24 173.90 2cui s LEU 85 N 1.38 4.15 -0.25 3.45 1.43 -0.49 -1.86 118.68 126.48 2cui s LEU 85 Ca 0.02 0.61 -0.02 0.00 -1.03 0.00 0.00 54.13 53.70 2cui s LEU 85 Cb -0.21 -3.39 0.14 0.00 0.03 0.00 0.00 46.19 42.76 2cui s LEU 85 CO 0.02 -0.11 0.42 -0.89 0.23 0.00 0.00 176.35 176.02 2cui s THR 86 N -1.94 -0.69 0.22 5.49 2.01 -0.97 -2.40 115.64 117.37 2cui s THR 86 Ca 0.42 -0.05 -0.07 0.00 0.31 0.00 0.00 61.69 62.30 2cui s THR 86 Cb -0.11 -0.85 -0.06 0.00 0.01 0.00 0.00 72.50 71.49 2cui s THR 86 CO 0.28 -0.09 0.50 -0.22 -0.69 0.00 0.00 174.62 174.40 2cui s LEU 87 N 2.61 4.17 -0.18 4.42 2.96 0.21 -1.31 118.68 131.56 2cui s LEU 87 Ca 0.14 0.77 -0.01 0.00 -0.22 0.00 0.00 54.13 54.80 2cui s LEU 87 Cb -0.15 -3.53 0.05 0.00 0.50 0.00 0.00 46.19 43.05 2cui s LEU 87 CO -0.17 -0.07 -0.01 -0.31 -1.32 0.00 0.00 176.35 174.47 2cui s TYR 88 N -1.85 1.40 -1.03 5.38 2.02 -0.92 -1.46 117.35 120.89 2cui s TYR 88 Ca 0.45 -0.97 -0.23 0.00 -0.37 0.00 0.00 57.07 55.94 2cui s TYR 88 Cb -0.11 -1.17 0.01 0.00 -0.40 0.00 0.00 41.96 40.28 2cui s TYR 88 CO 0.25 -0.60 1.70 0.20 -1.57 0.00 0.00 175.55 175.53 2cui s GLY 89 N 1.73 0.83 -0.45 0.71 0.00 0.16 -2.18 107.32 108.13 2cui s GLY 89 Ca -0.00 -2.08 -0.28 0.00 0.00 0.00 0.00 44.72 42.36 2cui s GLY 89 CO -0.07 3.05 1.79 1.08 0.00 0.00 0.00 173.10 178.95 2cui s LEU 90 N 7.23 3.43 0.00 0.66 2.01 -0.64 -0.20 118.68 131.17 2cui s LEU 90 Ca 0.57 0.86 0.22 0.00 0.01 0.00 0.00 54.13 55.79 2cui s LEU 90 Cb -0.02 -3.10 1.07 0.00 0.01 0.00 0.00 46.19 44.15 2cui s LEU 90 CO -0.02 -1.97 1.72 -1.14 1.01 0.00 0.00 176.35 175.95 2cui n ARG 91 N 8.71 1.31 0.00 1.70 0.00 -1.21 0.70 116.66 127.86 2cui n ARG 91 Ca 0.21 -0.46 0.00 0.00 -0.00 0.00 0.00 57.85 57.60 2cui n ARG 91 Cb 0.49 -1.37 0.00 0.00 0.00 0.00 0.00 32.46 31.58 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 0.96 0.24 0.07 5.14 0.00 -1.26 -4.46 105.19 105.88 2cui n GLY 92 Ca 0.16 -0.09 -0.13 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.03 -5.69 1.61 0.13 -2.01 -3.46 132.00 122.54 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 -0.16 0.00 0.13 0.00 0.00 31.00 30.98 2cui h PRO 93 CO 0.00 0.44 -0.75 -3.38 -0.23 0.00 0.00 178.00 174.08 2cui s HIS 94 N -4.23 1.75 0.25 1.56 -3.43 -1.26 -5.11 115.29 104.82 2cui s HIS 94 Ca -0.16 -0.53 -0.30 0.00 -0.80 0.00 0.00 55.06 53.27 2cui s HIS 94 Cb 0.02 -0.83 -0.11 0.00 -1.43 0.00 0.00 32.58 30.23 2cui s HIS 94 CO 0.66 0.35 1.55 0.15 -2.00 0.00 0.00 174.74 175.45 2cui s LYS 95 N -3.33 4.19 -0.20 -0.38 1.02 -1.26 -3.36 119.74 116.43 2cui s LYS 95 Ca 0.20 2.45 -0.20 0.00 0.02 0.00 0.00 55.97 58.44 2cui s LYS 95 Cb -0.03 -3.08 -0.17 0.00 -0.52 0.00 0.00 37.83 34.03 2cui s LYS 95 CO 0.07 -0.56 0.19 0.00 -0.92 0.00 0.00 175.35 174.13 2cui h ALA 96 N 5.35 0.22 -2.28 5.17 0.00 -0.93 -3.46 119.26 123.34 2cui h ALA 96 Ca -0.46 -1.08 -0.45 0.00 0.00 0.00 0.00 54.91 52.92 2cui h ALA 96 Cb 1.22 0.67 -0.14 0.00 0.00 0.00 0.00 17.79 19.54 2cui h ALA 96 CO 0.82 0.64 -0.54 -0.51 0.00 0.00 0.00 179.25 179.65 2cui s ASP 97 N -6.67 1.81 -0.25 0.00 1.01 -1.20 -4.97 116.67 106.40 2cui s ASP 97 Ca -0.26 -1.59 -0.21 0.00 0.71 0.00 0.00 52.55 51.19 2cui s ASP 97 Cb 0.05 0.41 0.07 0.00 1.01 0.00 0.00 42.92 44.46 2cui s ASP 97 CO 0.54 -0.90 0.65 -0.94 0.21 0.00 0.00 175.17 174.73 2cui s SER 98 N -3.42 -0.73 0.19 0.27 1.04 -1.26 0.39 113.70 110.18 2cui s SER 98 Ca 0.34 1.34 0.11 0.00 0.48 0.00 0.00 55.95 58.23 2cui s SER 98 Cb 0.04 1.33 -0.04 0.00 0.10 0.00 0.00 66.02 67.45 2cui s SER 98 CO 0.18 -0.23 -0.24 -0.51 0.98 0.00 0.00 173.24 173.42 2cui s ILE 99 N 0.62 2.37 -0.20 -1.02 2.07 -0.54 -4.94 121.20 119.56 2cui s ILE 99 Ca -0.02 -2.01 -0.00 0.00 -1.41 0.00 0.00 60.65 57.20 2cui s ILE 99 Cb -0.05 -2.13 0.02 0.00 0.13 0.00 0.00 42.46 40.43 2cui s ILE 99 CO -0.03 -0.11 -0.14 -1.10 -1.91 0.00 0.00 174.94 171.65 2cui s GLN 100 N -2.65 2.99 -0.10 3.50 -0.21 -1.26 -0.62 119.66 121.30 2cui s GLN 100 Ca 0.21 -0.85 0.03 0.00 0.02 0.00 0.00 55.36 54.77 2cui s GLN 100 Cb -0.08 -2.74 -0.00 0.00 1.00 0.00 0.00 33.01 31.19 2cui s GLN 100 CO 0.10 -0.26 -0.22 0.20 -2.12 0.00 0.00 175.29 172.99 2cui s GLY 101 N 1.32 1.37 -0.03 3.09 0.00 -1.01 -4.87 107.32 107.19 2cui s GLY 101 Ca 0.03 -0.96 0.02 0.00 0.00 0.00 0.00 44.72 43.82 2cui s GLY 101 CO -0.09 -0.32 -0.08 -0.51 0.00 0.00 0.00 173.10 172.10 2cui s THR 102 N 0.30 3.59 0.03 0.90 -4.23 -1.26 -1.40 115.64 113.57 2cui s THR 102 Ca -0.16 -0.67 -0.23 0.00 -1.18 0.00 0.00 61.69 59.44 2cui s THR 102 Cb -0.17 -2.51 0.05 0.00 1.34 0.00 0.00 72.50 71.21 2cui s THR 102 CO 0.08 0.49 0.53 0.00 -0.54 0.00 0.00 174.62 175.17 2cui s ALA 103 N -0.90 -1.36 -0.21 3.99 0.00 -1.23 -4.77 121.76 117.28 2cui s ALA 103 Ca 0.15 0.69 0.01 0.00 0.00 0.00 0.00 51.96 52.81 2cui s ALA 103 Cb -0.11 0.30 0.03 0.00 0.00 0.00 0.00 23.12 23.34 2cui s ALA 103 CO 0.05 -0.47 -0.16 0.50 0.00 0.00 0.00 175.76 175.68 2cui s ARG 104 N -2.17 2.81 1.36 0.00 3.52 -1.26 -1.92 118.95 121.29 2cui s ARG 104 Ca -0.07 -0.96 -0.20 0.00 -0.13 0.00 0.00 55.73 54.37 2cui s ARG 104 Cb -0.01 -2.71 0.35 0.00 -1.56 0.00 0.00 34.95 31.02 2cui s ARG 104 CO 0.01 -0.32 0.95 0.95 -0.81 0.00 0.00 175.30 176.07 2cui s THR 105 N 1.26 1.46 0.07 4.11 -4.23 -1.06 -4.87 115.64 112.38 2cui s THR 105 Ca 0.01 0.00 -0.00 0.00 -1.18 0.00 0.00 61.69 60.52 2cui s THR 105 Cb -0.15 -2.02 -0.04 0.00 1.34 0.00 0.00 72.50 71.62 2cui s THR 105 CO -0.10 0.00 0.22 -0.76 -0.54 0.00 0.00 174.62 173.45 2cui s LEU 106 N -7.74 4.35 0.05 4.79 1.43 -1.12 -3.72 118.68 116.72 2cui s LEU 106 Ca 0.68 0.28 -0.14 0.00 -1.03 0.00 0.00 54.13 53.93 2cui s LEU 106 Cb -0.18 -2.98 -0.32 0.00 0.03 0.00 0.00 46.19 42.74 2cui s LEU 106 CO 0.61 0.16 1.06 -1.28 0.23 0.00 0.00 176.35 177.12 2cui h SER 107 N 3.02 0.81 -4.99 2.29 0.87 -1.89 -2.78 113.55 110.88 2cui h SER 107 Ca -0.45 -0.82 0.00 0.00 -1.23 0.00 0.00 61.79 59.28 2cui h SER 107 Cb 1.16 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 62.86 2cui h SER 107 CO 0.75 1.64 0.00 0.61 -0.53 0.00 0.00 176.83 179.30 2cui n GLY 108 N 1.57 3.20 3.60 5.77 0.00 -1.26 -4.77 105.19 113.30 2cui n GLY 108 Ca -0.15 -1.75 -0.43 0.00 0.00 0.00 0.00 46.02 43.70 2cui n GLY 108 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cui s PRO 109 N -4.00 3.38 -1.46 1.61 0.04 -1.26 -3.32 135.00 129.99 2cui s PRO 109 Ca 0.00 1.29 -0.07 0.00 0.04 0.00 0.00 61.00 62.26 2cui s PRO 109 Cb 0.00 -4.16 0.05 0.00 0.04 0.00 0.00 34.50 30.43 2cui s PRO 109 CO 0.00 -1.80 0.75 0.43 0.04 0.00 0.00 177.00 176.41 2cui n SER 110 N 9.98 -2.49 -4.78 6.66 7.64 -1.26 -4.88 113.62 124.50 2cui n SER 110 Ca 0.21 -0.87 -0.41 0.00 1.01 0.00 0.00 58.87 58.81 2cui n SER 110 Cb 0.47 -3.61 0.00 0.00 -1.01 0.00 0.00 64.21 60.06 2cui n SER 110 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2cui n SER 111 N -2.91 3.80 0.00 6.43 3.41 -1.21 -5.28 113.62 117.86 2cui n SER 111 Ca -0.14 1.22 0.00 0.00 -0.26 0.00 0.00 58.87 59.70 2cui n SER 111 Cb 0.60 -1.62 0.00 0.00 -0.26 0.00 0.00 64.21 62.93 2cui n SER 111 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49