#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 0.15 -4.69 1.61 7.64 -1.26 -5.02 113.62 112.04 2cui n SER 2 Ca 0.00 0.02 -0.57 0.00 1.01 0.00 0.00 58.87 59.34 2cui n SER 2 Cb 0.00 -0.04 -0.07 0.00 -1.01 0.00 0.00 64.21 63.09 2cui n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2cui n SER 3 N -3.04 2.45 0.00 6.43 2.88 -1.26 -4.92 113.62 116.17 2cui n SER 3 Ca 0.00 1.03 0.00 0.00 -1.33 0.00 0.00 58.87 58.57 2cui n SER 3 Cb 0.40 -1.16 0.00 0.00 -0.75 0.00 0.00 64.21 62.70 2cui n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cui n GLY 4 N 4.38 1.26 3.37 0.46 0.00 -1.26 -4.74 105.19 108.66 2cui n GLY 4 Ca 0.27 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.13 6.26 -1.13 1.61 0.01 -1.26 -4.97 113.70 113.10 2cui s SER 5 Ca 0.00 -1.63 -0.20 0.00 1.31 0.00 0.00 55.95 55.43 2cui s SER 5 Cb 0.00 -2.29 -0.06 0.00 0.21 0.00 0.00 66.02 63.89 2cui s SER 5 CO 0.00 -1.03 1.94 -0.24 0.41 0.00 0.00 173.24 174.31 2cui n SER 6 N 6.01 3.43 -2.70 2.44 2.88 -1.26 -4.02 113.62 120.40 2cui n SER 6 Ca -0.06 -2.76 -0.12 0.00 -1.33 0.00 0.00 58.87 54.60 2cui n SER 6 Cb 0.43 -1.54 0.06 0.00 -0.75 0.00 0.00 64.21 62.41 2cui n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cui n GLY 7 N 5.04 -0.12 3.56 0.46 0.00 -1.26 -4.92 105.19 107.95 2cui n GLY 7 Ca 0.48 -0.07 -0.40 0.00 0.00 0.00 0.00 46.02 46.03 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 -3.94 6.27 0.10 1.61 0.15 -1.26 -4.88 113.70 111.74 2cui s SER 8 Ca 0.00 -0.96 -0.35 0.00 0.70 0.00 0.00 55.95 55.34 2cui s SER 8 Cb -0.00 -2.56 -0.15 0.00 -1.71 0.00 0.00 66.02 61.59 2cui s SER 8 CO 0.51 -1.72 1.56 -0.09 1.20 0.00 0.00 173.24 174.70 2cui h ARG 9 N 10.13 -0.80 -6.30 5.44 2.43 -1.97 -3.39 114.38 119.91 2cui h ARG 9 Ca -0.01 0.05 -0.57 0.00 -0.81 0.00 0.00 59.98 58.65 2cui h ARG 9 Cb 1.03 0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 30.73 2cui h ARG 9 CO 1.35 -0.53 1.15 -1.25 -1.51 0.00 0.00 179.97 179.18 2cui s PRO 10 N -5.81 3.68 0.35 0.20 0.04 -1.26 -5.00 135.00 127.19 2cui s PRO 10 Ca -0.17 1.56 0.08 0.00 0.04 0.00 0.00 61.00 62.51 2cui s PRO 10 Cb 0.06 -4.07 -0.04 0.00 0.04 0.00 0.00 34.50 30.49 2cui s PRO 10 CO 0.61 -1.43 0.18 1.03 0.04 0.00 0.00 177.00 177.43 2cui s ARG 11 N 4.90 2.43 0.34 4.56 0.52 -1.26 -4.67 118.95 125.77 2cui s ARG 11 Ca 0.72 -1.52 0.07 0.00 -0.52 0.00 0.00 55.73 54.48 2cui s ARG 11 Cb -0.23 -2.23 -0.01 0.00 0.52 0.00 0.00 34.95 33.00 2cui s ARG 11 CO 0.30 0.08 0.45 -0.51 0.02 0.00 0.00 175.30 175.65 2cui s LEU 12 N -3.89 3.91 0.55 2.53 1.43 -1.26 -4.56 118.68 117.39 2cui s LEU 12 Ca 0.39 -0.24 0.08 0.00 -1.03 0.00 0.00 54.13 53.32 2cui s LEU 12 Cb -0.03 -2.67 0.06 0.00 0.03 0.00 0.00 46.19 43.58 2cui s LEU 12 CO 0.24 -0.43 0.60 -0.55 0.23 0.00 0.00 176.35 176.43 2cui s SER 13 N -4.15 4.91 -0.24 2.29 0.15 -0.77 -5.00 113.70 110.88 2cui s SER 13 Ca 0.45 -1.01 -0.30 0.00 0.70 0.00 0.00 55.95 55.80 2cui s SER 13 Cb -0.09 0.28 -0.06 0.00 -1.71 0.00 0.00 66.02 64.44 2cui s SER 13 CO 0.30 -1.19 2.22 0.00 1.20 0.00 0.00 173.24 175.77 2cui n GLN 14 N -1.99 1.80 -2.87 5.44 10.64 -1.26 -4.64 117.38 124.49 2cui n GLN 14 Ca 0.07 0.49 -0.43 0.00 -1.83 0.00 0.00 57.00 55.31 2cui n GLN 14 Cb 0.63 -3.08 -0.04 0.00 -0.86 0.00 0.00 30.24 26.88 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 8.09 4.26 0.33 2.61 2.96 -1.26 -4.65 118.68 131.01 2cui s LEU 15 Ca 1.02 -0.59 0.08 0.00 -0.22 0.00 0.00 54.13 54.42 2cui s LEU 15 Cb -0.44 -2.67 -0.03 0.00 0.50 0.00 0.00 46.19 43.55 2cui s LEU 15 CO 0.38 -1.26 0.23 -0.44 -1.32 0.00 0.00 176.35 173.94 2cui s SER 16 N 3.07 5.09 -0.14 3.68 0.01 -1.15 -4.62 113.70 119.64 2cui s SER 16 Ca 0.27 -0.58 -0.01 0.00 1.31 0.00 0.00 55.95 56.94 2cui s SER 16 Cb -0.14 -0.91 -0.02 0.00 0.21 0.00 0.00 66.02 65.16 2cui s SER 16 CO 0.16 -0.31 -0.11 -0.69 0.41 0.00 0.00 173.24 172.70 2cui s VAL 17 N -2.34 3.22 0.23 3.43 1.01 -1.26 -2.09 120.40 122.59 2cui s VAL 17 Ca 0.39 -0.60 0.10 0.00 0.00 0.00 0.00 61.98 61.88 2cui s VAL 17 Cb -0.05 -2.37 -0.05 0.00 0.00 0.00 0.00 36.38 33.91 2cui s VAL 17 CO 0.25 0.51 -0.19 0.42 0.00 0.00 0.00 175.10 176.09 2cui s THR 18 N 0.47 2.14 -1.34 3.92 -4.23 0.10 -4.74 115.64 111.96 2cui s THR 18 Ca -0.08 -2.21 -0.05 0.00 -1.18 0.00 0.00 61.69 58.16 2cui s THR 18 Cb -0.15 -2.12 0.01 0.00 1.34 0.00 0.00 72.50 71.57 2cui s THR 18 CO 0.04 -0.40 0.72 0.47 -0.54 0.00 0.00 174.62 174.91 2cui n ASP 19 N -0.26 -5.76 -4.49 3.99 9.92 -1.26 -1.44 116.55 117.25 2cui n ASP 19 Ca -0.08 -0.33 -0.43 0.00 -0.53 0.00 0.00 54.79 53.42 2cui n ASP 19 Cb 0.59 -4.52 -0.09 0.00 -0.64 0.00 0.00 41.12 36.46 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 -4.51 0.02 -2.53 2.53 0.31 -1.26 -4.41 118.33 108.47 2cui n VAL 20 Ca -0.07 -0.32 -0.28 0.00 -0.01 0.00 0.00 64.34 63.67 2cui n VAL 20 Cb 0.59 -1.50 0.00 0.00 -0.91 0.00 0.00 33.84 32.02 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 9.42 4.80 0.23 2.52 2.01 0.50 -4.58 115.64 130.54 2cui s THR 21 Ca 1.17 0.26 -0.09 0.00 0.31 0.00 0.00 61.69 63.34 2cui s THR 21 Cb -0.84 -3.84 0.23 0.00 0.01 0.00 0.00 72.50 68.07 2cui s THR 21 CO 0.43 -0.86 1.65 0.71 -0.69 0.00 0.00 174.62 175.86 2cui h THR 22 N 0.14 0.43 0.00 -0.82 1.35 -1.91 -2.80 112.91 109.29 2cui h THR 22 Ca -0.46 -0.04 -0.01 0.00 -0.55 0.00 0.00 66.41 65.34 2cui h THR 22 Cb 1.21 0.30 -0.03 0.00 -1.73 0.00 0.00 68.15 67.90 2cui h THR 22 CO 0.62 0.02 -0.29 -1.20 -0.25 0.00 0.00 175.52 174.42 2cui n SER 23 N -5.30 1.47 -3.00 5.36 7.64 -1.26 -3.53 113.62 114.99 2cui n SER 23 Ca 0.11 -2.79 -0.12 0.00 1.01 0.00 0.00 58.87 57.09 2cui n SER 23 Cb 0.41 -0.36 -0.00 0.00 -1.01 0.00 0.00 64.21 63.24 2cui n SER 23 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2cui s SER 24 N -2.30 0.44 0.04 6.43 0.01 -1.07 -0.26 113.70 116.99 2cui s SER 24 Ca 0.23 -1.32 -0.26 0.00 1.31 0.00 0.00 55.95 55.91 2cui s SER 24 Cb 0.22 0.78 0.09 0.00 0.21 0.00 0.00 66.02 67.32 2cui s SER 24 CO -0.01 -1.55 1.20 0.00 0.41 0.00 0.00 173.24 173.30 2cui n LEU 25 N -0.56 0.00 -4.01 2.44 -0.00 -1.19 0.19 117.00 113.87 2cui n LEU 25 Ca -0.05 -0.71 -0.15 0.00 -0.00 0.00 0.00 56.01 55.10 2cui n LEU 25 Cb 0.61 2.13 -0.13 0.00 -0.00 0.00 0.00 43.42 46.02 2cui n LEU 25 CO 0.28 -0.24 -0.41 -0.60 -0.00 0.00 0.00 177.39 176.43 2cui s ARG 26 N -2.02 0.51 0.26 1.47 3.52 -0.52 -3.35 118.95 118.82 2cui s ARG 26 Ca 0.28 -0.41 0.09 0.00 -0.13 0.00 0.00 55.73 55.56 2cui s ARG 26 Cb -0.01 -0.43 -0.04 0.00 -1.56 0.00 0.00 34.95 32.91 2cui s ARG 26 CO 0.01 0.11 0.05 -0.51 -0.81 0.00 0.00 175.30 174.15 2cui s LEU 27 N -0.65 3.37 -0.23 -0.88 1.43 0.11 0.00 118.68 121.84 2cui s LEU 27 Ca -0.02 -0.54 -0.08 0.00 -1.03 0.00 0.00 54.13 52.47 2cui s LEU 27 Cb -0.05 -1.89 0.10 0.00 0.03 0.00 0.00 46.19 44.38 2cui s LEU 27 CO 0.00 -0.01 0.48 0.20 0.23 0.00 0.00 176.35 177.25 2cui s ASN 28 N -3.72 -0.50 0.01 2.29 0.01 -0.89 -3.56 114.94 108.58 2cui s ASN 28 Ca 0.32 1.15 0.01 0.00 -0.71 0.00 0.00 52.86 53.63 2cui s ASN 28 Cb -0.07 1.59 -0.01 0.00 0.41 0.00 0.00 41.25 43.17 2cui s ASN 28 CO 0.21 -0.23 -0.05 -1.66 -1.51 0.00 0.00 177.10 173.86 2cui s TRP 29 N 2.65 0.44 -0.17 2.20 -2.14 -1.21 -2.91 118.94 117.80 2cui s TRP 29 Ca -0.03 -0.22 -0.10 0.00 2.66 0.00 0.00 56.10 58.41 2cui s TRP 29 Cb -0.12 -0.28 -0.05 0.00 -3.10 0.00 0.00 33.47 29.93 2cui s TRP 29 CO -0.14 -0.04 0.18 -2.00 -2.66 0.00 0.00 176.95 172.28 2cui s GLU 30 N -0.59 4.02 -0.02 3.25 2.12 -1.26 -4.67 118.70 121.55 2cui s GLU 30 Ca -0.03 -0.11 -0.04 0.00 0.36 0.00 0.00 54.97 55.15 2cui s GLU 30 Cb -0.04 -3.36 0.00 0.00 0.26 0.00 0.00 34.13 30.99 2cui s GLU 30 CO -0.00 0.41 0.10 0.00 -0.54 0.00 0.00 175.26 175.23 2cui s ALA 31 N 0.00 -0.23 1.02 6.30 0.00 -1.26 -1.85 121.76 125.74 2cui s ALA 31 Ca 0.12 0.07 -0.13 0.00 0.00 0.00 0.00 51.96 52.02 2cui s ALA 31 Cb -0.12 -0.06 0.20 0.00 0.00 0.00 0.00 23.12 23.14 2cui s ALA 31 CO 0.01 -0.11 1.09 -1.25 0.00 0.00 0.00 175.76 175.51 2cui s PRO 32 N -0.52 0.28 0.56 0.00 0.04 -1.26 -5.00 135.00 129.09 2cui s PRO 32 Ca -0.06 0.48 -0.19 0.00 0.04 0.00 0.00 61.00 61.27 2cui s PRO 32 Cb -0.04 -1.72 -0.05 0.00 0.04 0.00 0.00 34.50 32.73 2cui s PRO 32 CO 0.00 -2.82 1.13 -1.25 0.04 0.00 0.00 177.00 174.10 2cui s PRO 33 N -4.96 3.30 -0.91 0.56 0.04 -1.26 -3.26 135.00 128.50 2cui s PRO 33 Ca 0.66 1.58 -0.04 0.00 0.04 0.00 0.00 61.00 63.24 2cui s PRO 33 Cb -0.19 -2.00 0.04 0.00 0.04 0.00 0.00 34.50 32.39 2cui s PRO 33 CO 0.58 -0.89 0.19 0.41 0.04 0.00 0.00 177.00 177.33 2cui n GLY 34 N 0.08 -0.49 0.06 0.56 0.00 -1.26 -4.84 105.19 99.30 2cui n GLY 34 Ca 0.11 0.03 -0.05 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 0.98 0.00 -3.55 4.61 0.00 -1.94 -3.48 119.26 115.89 2cui h ALA 35 Ca -0.28 -0.18 -0.25 0.00 0.00 0.00 0.00 54.91 54.20 2cui h ALA 35 Cb 1.20 0.03 -0.26 0.00 0.00 0.00 0.00 17.79 18.76 2cui h ALA 35 CO 0.35 0.03 -0.73 -0.06 0.00 0.00 0.00 179.25 178.84 2cui s PHE 36 N -1.78 0.25 0.17 0.00 0.08 -1.26 -4.66 117.98 110.77 2cui s PHE 36 Ca -0.07 -0.19 -0.15 0.00 0.12 0.00 0.00 56.93 56.65 2cui s PHE 36 Cb -0.01 -0.16 0.05 0.00 -0.57 0.00 0.00 43.02 42.33 2cui s PHE 36 CO 0.22 -0.05 1.83 0.22 -0.10 0.00 0.00 175.22 177.34 2cui h ASP 37 N 5.62 0.55 -3.34 1.36 1.82 0.26 -3.29 116.42 119.39 2cui h ASP 37 Ca -0.28 -0.01 -0.21 0.00 -0.39 0.00 0.00 57.03 56.14 2cui h ASP 37 Cb 1.20 -0.14 -0.05 0.00 0.68 0.00 0.00 39.33 41.03 2cui h ASP 37 CO 0.48 0.40 -0.12 -1.54 -1.61 0.00 0.00 179.24 176.84 2cui n SER 38 N -4.76 -0.95 -3.74 2.28 3.41 -1.05 -2.90 113.62 105.92 2cui n SER 38 Ca 0.02 -2.37 -0.24 0.00 -0.26 0.00 0.00 58.87 56.03 2cui n SER 38 Cb 0.02 1.79 -0.17 0.00 -0.26 0.00 0.00 64.21 65.59 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 -3.49 0.67 -0.42 7.33 0.08 0.60 -2.01 117.98 120.74 2cui s PHE 39 Ca 0.21 -0.30 -0.12 0.00 0.12 0.00 0.00 56.93 56.84 2cui s PHE 39 Cb -0.01 -0.82 0.05 0.00 -0.57 0.00 0.00 43.02 41.68 2cui s PHE 39 CO 0.15 -0.40 0.28 -1.17 -0.10 0.00 0.00 175.22 173.99 2cui s LEU 40 N 1.97 5.12 -0.24 -0.37 2.96 -1.03 -1.87 118.68 125.23 2cui s LEU 40 Ca 0.03 -1.22 -0.17 0.00 -0.22 0.00 0.00 54.13 52.56 2cui s LEU 40 Cb -0.14 -2.07 -0.03 0.00 0.50 0.00 0.00 46.19 44.45 2cui s LEU 40 CO -0.06 -0.50 0.45 -0.22 -1.32 0.00 0.00 176.35 174.70 2cui s LEU 41 N 1.55 4.08 -0.26 -0.68 2.96 -0.94 -1.86 118.68 123.53 2cui s LEU 41 Ca 0.03 0.47 -0.05 0.00 -0.22 0.00 0.00 54.13 54.37 2cui s LEU 41 Cb -0.22 -2.57 0.01 0.00 0.50 0.00 0.00 46.19 43.91 2cui s LEU 41 CO 0.06 -0.20 0.01 -0.13 -1.32 0.00 0.00 176.35 174.77 2cui s ARG 42 N 1.94 3.12 -0.26 1.98 0.52 -0.67 -1.36 118.95 124.21 2cui s ARG 42 Ca 0.19 -0.81 -0.03 0.00 -0.52 0.00 0.00 55.73 54.56 2cui s ARG 42 Cb -0.15 -3.17 0.02 0.00 0.52 0.00 0.00 34.95 32.16 2cui s ARG 42 CO 0.09 -0.36 -0.01 -0.59 0.02 0.00 0.00 175.30 174.45 2cui s PHE 43 N 1.45 3.09 0.18 -0.53 -0.71 -1.20 -2.05 117.98 118.22 2cui s PHE 43 Ca 0.03 -1.34 0.09 0.00 -1.04 0.00 0.00 56.93 54.67 2cui s PHE 43 Cb -0.16 -2.13 -0.04 0.00 -1.21 0.00 0.00 43.02 39.48 2cui s PHE 43 CO -0.01 -0.67 -0.18 0.20 -1.34 0.00 0.00 175.22 173.23 2cui s GLY 44 N 1.39 1.45 -0.39 1.99 0.00 -1.09 -4.19 107.32 106.49 2cui s GLY 44 Ca 0.01 -1.57 -0.29 0.00 0.00 0.00 0.00 44.72 42.87 2cui s GLY 44 CO -0.02 -1.63 1.16 0.14 0.00 0.00 0.00 173.10 172.75 2cui s VAL 45 N -2.29 4.29 -0.40 1.40 1.01 -1.26 -2.90 120.40 120.25 2cui s VAL 45 Ca 0.19 1.41 -0.28 0.00 0.00 0.00 0.00 61.98 63.30 2cui s VAL 45 Cb -0.05 -4.44 -0.01 0.00 0.00 0.00 0.00 36.38 31.88 2cui s VAL 45 CO 0.07 -0.71 1.73 -2.16 0.00 0.00 0.00 175.10 174.04 2cui s PRO 46 N 4.14 3.24 0.03 2.72 0.04 -1.26 -4.99 135.00 138.92 2cui s PRO 46 Ca 0.49 1.16 0.02 0.00 0.04 0.00 0.00 61.00 62.71 2cui s PRO 46 Cb -0.11 -4.20 -0.04 0.00 0.04 0.00 0.00 34.50 30.19 2cui s PRO 46 CO 0.24 -1.98 0.04 -1.54 0.04 0.00 0.00 177.00 173.80 2cui s SER 47 N 6.05 5.31 0.25 6.66 1.04 -1.26 -5.07 113.70 126.69 2cui s SER 47 Ca 0.73 -0.01 -0.30 0.00 0.48 0.00 0.00 55.95 56.86 2cui s SER 47 Cb -0.19 -1.40 -0.09 0.00 0.10 0.00 0.00 66.02 64.44 2cui s SER 47 CO 0.31 0.23 1.27 -2.16 0.98 0.00 0.00 173.24 173.87 2cui s PRO 48 N -1.93 4.43 0.15 4.02 0.04 -1.26 -4.94 135.00 135.49 2cui s PRO 48 Ca 0.24 2.05 0.12 0.00 0.04 0.00 0.00 61.00 63.44 2cui s PRO 48 Cb -0.12 -3.16 -0.11 0.00 0.04 0.00 0.00 34.50 31.15 2cui s PRO 48 CO 0.15 -0.15 1.20 1.03 0.04 0.00 0.00 177.00 179.27 2cui h SER 49 N 4.55 0.00 0.38 6.66 0.87 -2.00 -3.28 113.55 120.73 2cui h SER 49 Ca -0.46 0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 59.99 2cui h SER 49 Cb 1.22 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.16 2cui h SER 49 CO 0.72 0.78 -0.45 0.00 -0.53 0.00 0.00 176.83 177.34 2cui h THR 50 N 0.00 1.33 -2.93 2.23 1.03 -2.07 -3.44 112.91 109.06 2cui h THR 50 Ca -0.06 -1.59 -0.60 0.00 -0.01 0.00 0.00 66.41 64.14 2cui h THR 50 Cb 1.65 1.81 -0.04 0.00 -1.07 0.00 0.00 68.15 70.50 2cui h THR 50 CO 0.09 0.46 -0.45 -0.22 -0.01 0.00 0.00 175.52 175.39 2cui s LEU 51 N -8.07 4.34 0.18 0.00 0.20 -1.24 -5.07 118.68 109.02 2cui s LEU 51 Ca -0.03 0.33 -0.30 0.00 0.69 0.00 0.00 54.13 54.82 2cui s LEU 51 Cb 0.14 -3.03 -0.08 0.00 -0.43 0.00 0.00 46.19 42.78 2cui s LEU 51 CO 0.75 0.13 1.16 -1.61 -0.29 0.00 0.00 176.35 176.49 2cui s GLU 52 N -2.62 4.53 0.67 1.98 0.41 -1.26 -4.80 118.70 117.60 2cui s GLU 52 Ca 0.36 1.81 -0.15 0.00 -0.41 0.00 0.00 54.97 56.59 2cui s GLU 52 Cb -0.13 -3.26 0.00 0.00 -1.78 0.00 0.00 34.13 28.97 2cui s GLU 52 CO 0.27 -0.03 1.11 -1.25 -0.49 0.00 0.00 175.26 174.87 2cui s PRO 53 N -0.28 2.75 0.55 0.39 0.04 -1.26 -5.01 135.00 132.18 2cui s PRO 53 Ca 0.51 1.37 -0.19 0.00 0.04 0.00 0.00 61.00 62.73 2cui s PRO 53 Cb -0.31 -1.95 -0.06 0.00 0.04 0.00 0.00 34.50 32.22 2cui s PRO 53 CO 0.36 -1.28 1.13 -1.01 0.04 0.00 0.00 177.00 176.24 2cui s HIS 54 N -2.39 2.67 -2.00 0.56 3.76 -1.26 -4.90 115.29 111.73 2cui s HIS 54 Ca 0.66 1.54 0.12 0.00 -0.15 0.00 0.00 55.06 57.24 2cui s HIS 54 Cb -0.20 -3.29 0.73 0.00 1.11 0.00 0.00 32.58 30.93 2cui s HIS 54 CO 0.43 -1.58 1.16 -0.35 -0.85 0.00 0.00 174.74 173.55 2cui n PRO 55 N -1.33 0.49 -4.09 8.40 -0.04 -1.26 -4.70 135.00 132.48 2cui n PRO 55 Ca 0.12 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.22 2cui n PRO 55 Cb 0.51 -1.39 -0.08 0.00 -0.04 0.00 0.00 33.50 32.50 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 -2.00 3.31 0.55 0.54 0.52 -1.26 -5.09 118.95 115.52 2cui s ARG 56 Ca 0.18 -0.26 -0.19 0.00 -0.52 0.00 0.00 55.73 54.94 2cui s ARG 56 Cb 0.08 -3.04 -0.05 0.00 0.52 0.00 0.00 34.95 32.46 2cui s ARG 56 CO 0.14 0.70 1.13 -1.25 0.02 0.00 0.00 175.30 176.04 2cui s PRO 57 N -0.83 3.32 -0.27 3.54 0.04 -1.26 -5.04 135.00 134.50 2cui s PRO 57 Ca 0.13 1.59 0.01 0.00 0.04 0.00 0.00 61.00 62.78 2cui s PRO 57 Cb -0.12 -2.00 0.05 0.00 0.04 0.00 0.00 34.50 32.47 2cui s PRO 57 CO 0.03 -0.88 -0.08 -0.51 0.04 0.00 0.00 177.00 175.60 2cui s LEU 58 N -3.88 3.46 0.38 -3.56 1.43 -1.26 -5.11 118.68 110.15 2cui s LEU 58 Ca 0.72 -1.26 -0.24 0.00 -1.03 0.00 0.00 54.13 52.32 2cui s LEU 58 Cb -0.24 -1.60 -0.09 0.00 0.03 0.00 0.00 46.19 44.29 2cui s LEU 58 CO 0.28 -0.19 1.01 -0.22 0.23 0.00 0.00 176.35 177.45 2cui s LEU 59 N 1.18 4.16 0.10 1.79 1.98 -1.26 -5.06 118.68 121.56 2cui s LEU 59 Ca -0.06 1.93 0.06 0.00 -2.89 0.00 0.00 54.13 53.17 2cui s LEU 59 Cb -0.19 -4.20 -0.03 0.00 0.66 0.00 0.00 46.19 42.43 2cui s LEU 59 CO -0.04 -0.37 -0.15 -1.58 -1.89 0.00 0.00 176.35 172.32 2cui s GLN 60 N -2.49 0.96 0.20 1.98 0.74 -1.26 -4.93 119.66 114.86 2cui s GLN 60 Ca 0.57 -1.12 0.04 0.00 0.05 0.00 0.00 55.36 54.89 2cui s GLN 60 Cb -0.19 -0.96 -0.05 0.00 1.10 0.00 0.00 33.01 32.91 2cui s GLN 60 CO 0.24 0.20 -0.04 1.03 -0.55 0.00 0.00 175.29 176.17 2cui s ARG 61 N -2.20 1.24 0.02 1.67 0.52 -1.26 -5.09 118.95 113.86 2cui s ARG 61 Ca 0.04 -1.60 -0.02 0.00 -0.52 0.00 0.00 55.73 53.64 2cui s ARG 61 Cb -0.08 -0.64 -0.02 0.00 0.52 0.00 0.00 34.95 34.74 2cui s ARG 61 CO 0.03 -0.03 0.00 -1.83 0.02 0.00 0.00 175.30 173.50 2cui s GLU 62 N -3.82 0.38 0.18 3.54 -1.05 -1.26 -3.22 118.70 113.46 2cui s GLU 62 Ca 0.24 -0.64 0.05 0.00 -0.15 0.00 0.00 54.97 54.47 2cui s GLU 62 Cb 0.04 0.14 -0.04 0.00 -0.44 0.00 0.00 34.13 33.84 2cui s GLU 62 CO 0.06 -0.07 0.17 -1.17 0.95 0.00 0.00 175.26 175.20 2cui s LEU 63 N -1.62 3.89 -0.17 1.83 2.96 -0.47 -4.92 118.68 120.19 2cui s LEU 63 Ca -0.13 -0.11 -0.00 0.00 -0.22 0.00 0.00 54.13 53.67 2cui s LEU 63 Cb -0.08 -2.48 0.04 0.00 0.50 0.00 0.00 46.19 44.17 2cui s LEU 63 CO -0.02 0.04 -0.08 -0.32 -1.32 0.00 0.00 176.35 174.66 2cui s MET 64 N -3.28 1.70 -0.01 1.98 1.75 -1.26 -2.22 119.30 117.96 2cui s MET 64 Ca 0.32 -0.59 0.01 0.00 -1.25 0.00 0.00 55.69 54.17 2cui s MET 64 Cb -0.10 -2.10 0.01 0.00 2.84 0.00 0.00 34.83 35.48 2cui s MET 64 CO 0.24 -0.40 -0.01 0.08 -0.65 0.00 0.00 175.02 174.28 2cui s VAL 65 N 1.56 0.16 0.57 10.11 1.01 -0.78 -4.96 120.40 128.07 2cui s VAL 65 Ca 0.01 -0.04 -0.18 0.00 0.00 0.00 0.00 61.98 61.77 2cui s VAL 65 Cb -0.15 -0.17 -0.04 0.00 0.00 0.00 0.00 36.38 36.01 2cui s VAL 65 CO -0.08 0.07 1.12 -2.16 0.00 0.00 0.00 175.10 174.05 2cui s PRO 66 N 0.22 3.22 0.28 2.72 0.04 -1.26 0.22 135.00 140.45 2cui s PRO 66 Ca -0.02 1.55 0.00 0.00 0.04 0.00 0.00 61.00 62.58 2cui s PRO 66 Cb -0.04 -1.99 0.66 0.00 0.04 0.00 0.00 34.50 33.17 2cui s PRO 66 CO -0.01 -0.94 1.65 0.78 0.04 0.00 0.00 177.00 178.52 2cui h GLY 67 N 0.91 1.27 0.81 0.56 0.00 -1.60 0.65 103.07 105.67 2cui h GLY 67 Ca -0.49 -0.02 0.17 0.00 0.00 0.00 0.00 47.33 46.99 2cui h GLY 67 CO 0.56 -0.35 0.43 0.00 0.00 0.00 0.00 176.54 177.19 2cui h THR 68 N 0.20 0.69 -3.43 4.70 1.03 -1.88 -3.38 112.91 110.85 2cui h THR 68 Ca 0.53 0.00 -0.65 0.00 -0.01 0.00 0.00 66.41 66.28 2cui h THR 68 Cb 1.03 0.70 -0.24 0.00 -1.07 0.00 0.00 68.15 68.57 2cui h THR 68 CO -0.65 0.00 -0.68 -0.13 -0.01 0.00 0.00 175.52 174.05 2cui s ARG 69 N -4.99 3.54 -0.67 0.00 0.52 0.23 -5.03 118.95 112.54 2cui s ARG 69 Ca -0.05 -0.56 0.05 0.00 -0.52 0.00 0.00 55.73 54.65 2cui s ARG 69 Cb 0.20 -3.04 0.28 0.00 0.52 0.00 0.00 34.95 32.90 2cui s ARG 69 CO 0.73 -0.04 0.89 0.72 0.02 0.00 0.00 175.30 177.62 2cui n HIS 70 N 4.38 3.62 -3.91 -0.53 8.25 -1.26 -4.24 115.22 121.53 2cui n HIS 70 Ca -0.17 -3.95 -0.11 0.00 -0.26 0.00 0.00 57.72 53.23 2cui n HIS 70 Cb 0.52 -0.62 -0.11 0.00 1.12 0.00 0.00 29.99 30.89 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 -2.64 0.09 -0.16 0.41 1.04 -1.26 -3.33 113.70 107.85 2cui s SER 71 Ca 0.41 -0.22 -0.07 0.00 0.48 0.00 0.00 55.95 56.55 2cui s SER 71 Cb 0.17 0.13 0.07 0.00 0.10 0.00 0.00 66.02 66.50 2cui s SER 71 CO -0.04 -0.23 0.35 0.00 0.98 0.00 0.00 173.24 174.31 2cui s ALA 72 N -0.95 -0.88 -0.16 5.32 0.00 -1.23 -4.88 121.76 118.97 2cui s ALA 72 Ca -0.10 1.28 0.00 0.00 0.00 0.00 0.00 51.96 53.14 2cui s ALA 72 Cb -0.06 -1.06 0.03 0.00 0.00 0.00 0.00 23.12 22.03 2cui s ALA 72 CO -0.00 -0.54 -0.11 0.08 0.00 0.00 0.00 175.76 175.19 2cui s VAL 73 N 2.10 1.50 -0.06 0.00 1.01 -1.26 0.07 120.40 123.75 2cui s VAL 73 Ca -0.04 -0.72 -0.05 0.00 0.00 0.00 0.00 61.98 61.17 2cui s VAL 73 Cb -0.11 -1.50 -0.04 0.00 0.00 0.00 0.00 36.38 34.73 2cui s VAL 73 CO -0.11 0.32 0.18 -0.76 0.00 0.00 0.00 175.10 174.73 2cui s LEU 74 N 1.49 4.38 0.38 3.92 2.01 -1.21 -4.98 118.68 124.68 2cui s LEU 74 Ca 0.03 0.44 0.05 0.00 0.01 0.00 0.00 54.13 54.65 2cui s LEU 74 Cb -0.14 -2.38 -0.06 0.00 0.01 0.00 0.00 46.19 43.62 2cui s LEU 74 CO -0.09 0.33 0.04 -0.13 1.01 0.00 0.00 176.35 177.50 2cui s ARG 75 N -1.49 1.85 -1.44 1.70 0.52 -1.26 -3.19 118.95 115.63 2cui s ARG 75 Ca 0.22 -2.06 -0.04 0.00 -0.52 0.00 0.00 55.73 53.33 2cui s ARG 75 Cb -0.12 -1.25 0.00 0.00 0.52 0.00 0.00 34.95 34.10 2cui s ARG 75 CO 0.12 -0.16 0.49 -3.47 0.02 0.00 0.00 175.30 172.31 2cui n ASP 76 N -0.89 -5.69 -4.92 0.23 2.03 -1.16 -4.97 116.55 101.17 2cui n ASP 76 Ca -0.05 -0.23 -0.26 0.00 0.52 0.00 0.00 54.79 54.76 2cui n ASP 76 Cb 0.67 -4.54 0.02 0.00 -0.72 0.00 0.00 41.12 36.54 2cui n ASP 76 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2cui s LEU 77 N -6.01 3.47 0.59 -2.67 1.43 0.64 -5.06 118.68 111.07 2cui s LEU 77 Ca 0.24 0.72 -0.14 0.00 -1.03 0.00 0.00 54.13 53.92 2cui s LEU 77 Cb -0.11 -3.60 -0.04 0.00 0.03 0.00 0.00 46.19 42.47 2cui s LEU 77 CO 0.30 -0.81 1.03 -0.60 0.23 0.00 0.00 176.35 176.50 2cui s ARG 78 N -4.81 3.51 -0.00 1.70 6.06 -1.26 -4.48 118.95 119.66 2cui s ARG 78 Ca 0.50 0.99 -0.22 0.00 -2.50 0.00 0.00 55.73 54.51 2cui s ARG 78 Cb -0.10 -2.07 -0.05 0.00 0.06 0.00 0.00 34.95 32.79 2cui s ARG 78 CO 0.44 -0.64 0.64 -1.54 -2.50 0.00 0.00 175.30 171.70 2cui s SER 79 N -3.32 7.02 -1.38 -2.12 1.04 -1.26 -4.11 113.70 109.57 2cui s SER 79 Ca 0.59 1.22 -0.05 0.00 0.48 0.00 0.00 55.95 58.19 2cui s SER 79 Cb -0.13 -2.39 0.03 0.00 0.10 0.00 0.00 66.02 63.63 2cui s SER 79 CO 0.41 0.06 0.83 0.61 0.98 0.00 0.00 173.24 176.14 2cui n GLY 80 N 2.50 -0.38 3.25 7.32 0.00 -1.07 -4.80 105.19 112.02 2cui n GLY 80 Ca -0.05 0.16 -0.16 0.00 0.00 0.00 0.00 46.02 45.96 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 -3.52 1.28 -0.24 2.61 2.01 -1.26 -4.93 115.64 111.60 2cui s THR 81 Ca 0.26 -1.90 -0.09 0.00 0.31 0.00 0.00 61.69 60.27 2cui s THR 81 Cb -0.13 -1.69 -0.04 0.00 0.01 0.00 0.00 72.50 70.65 2cui s THR 81 CO 0.81 -0.58 0.13 -0.22 -0.69 0.00 0.00 174.62 174.08 2cui s LEU 82 N -2.83 3.92 -0.08 4.42 1.98 -1.26 -1.38 118.68 123.45 2cui s LEU 82 Ca 0.13 0.02 -0.01 0.00 -2.89 0.00 0.00 54.13 51.39 2cui s LEU 82 Cb -0.01 -2.05 -0.03 0.00 0.66 0.00 0.00 46.19 44.75 2cui s LEU 82 CO 0.02 0.04 -0.04 -0.31 -1.89 0.00 0.00 176.35 174.18 2cui s TYR 83 N 1.19 3.04 -0.49 5.38 1.51 -0.87 -4.51 117.35 122.60 2cui s TYR 83 Ca 0.06 0.08 -0.18 0.00 -1.01 0.00 0.00 57.07 56.03 2cui s TYR 83 Cb -0.14 -1.76 0.06 0.00 -0.11 0.00 0.00 41.96 40.01 2cui s TYR 83 CO 0.05 0.37 0.55 0.45 -1.11 0.00 0.00 175.55 175.86 2cui s SER 84 N -0.77 6.20 0.14 2.29 0.15 -1.14 -3.43 113.70 117.13 2cui s SER 84 Ca 0.12 -1.02 -0.05 0.00 0.70 0.00 0.00 55.95 55.70 2cui s SER 84 Cb -0.11 -2.26 -0.06 0.00 -1.71 0.00 0.00 66.02 61.89 2cui s SER 84 CO 0.02 -0.80 0.38 -0.76 1.20 0.00 0.00 173.24 173.27 2cui s LEU 85 N 2.32 4.27 -0.26 3.45 1.43 -0.70 -2.67 118.68 126.52 2cui s LEU 85 Ca 0.12 0.60 -0.01 0.00 -1.03 0.00 0.00 54.13 53.81 2cui s LEU 85 Cb -0.21 -3.28 0.15 0.00 0.03 0.00 0.00 46.19 42.88 2cui s LEU 85 CO 0.10 0.06 0.41 -0.89 0.23 0.00 0.00 176.35 176.26 2cui s THR 86 N -1.64 -0.65 0.34 5.49 2.01 -0.87 -1.75 115.64 118.59 2cui s THR 86 Ca 0.40 -0.13 -0.15 0.00 0.31 0.00 0.00 61.69 62.12 2cui s THR 86 Cb -0.12 -0.88 -0.09 0.00 0.01 0.00 0.00 72.50 71.42 2cui s THR 86 CO 0.24 -0.16 0.76 -0.22 -0.69 0.00 0.00 174.62 174.55 2cui s LEU 87 N 2.57 4.02 -0.20 4.42 2.96 -0.46 -1.68 118.68 130.32 2cui s LEU 87 Ca 0.12 1.29 -0.02 0.00 -0.22 0.00 0.00 54.13 55.31 2cui s LEU 87 Cb -0.14 -4.11 0.06 0.00 0.50 0.00 0.00 46.19 42.49 2cui s LEU 87 CO -0.21 -0.24 0.00 -0.31 -1.32 0.00 0.00 176.35 174.27 2cui s TYR 88 N -2.05 1.43 -0.94 5.38 2.02 -0.78 -1.69 117.35 120.72 2cui s TYR 88 Ca 0.54 -1.09 -0.24 0.00 -0.37 0.00 0.00 57.07 55.92 2cui s TYR 88 Cb -0.10 -1.19 0.00 0.00 -0.40 0.00 0.00 41.96 40.27 2cui s TYR 88 CO 0.19 -0.64 1.69 0.20 -1.57 0.00 0.00 175.55 175.41 2cui s GLY 89 N 1.72 0.70 -0.33 0.71 0.00 0.15 -2.47 107.32 107.81 2cui s GLY 89 Ca -0.02 -1.81 -0.29 0.00 0.00 0.00 0.00 44.72 42.61 2cui s GLY 89 CO -0.07 3.08 1.57 1.08 0.00 0.00 0.00 173.10 178.77 2cui s LEU 90 N 7.52 3.66 0.00 0.66 2.01 -0.85 -0.73 118.68 130.95 2cui s LEU 90 Ca 0.57 1.21 0.18 0.00 0.01 0.00 0.00 54.13 56.11 2cui s LEU 90 Cb -0.04 -3.53 0.51 0.00 0.01 0.00 0.00 46.19 43.14 2cui s LEU 90 CO -0.03 -1.44 1.41 -1.14 1.01 0.00 0.00 176.35 176.16 2cui n ARG 91 N 8.01 2.11 0.00 1.70 0.63 -1.22 0.23 116.66 128.12 2cui n ARG 91 Ca 0.19 -1.71 0.00 0.00 -0.92 0.00 0.00 57.85 55.41 2cui n ARG 91 Cb 0.47 -1.41 0.00 0.00 0.45 0.00 0.00 32.46 31.97 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 1.29 -0.31 0.25 5.14 0.00 -1.26 -4.58 105.19 105.71 2cui n GLY 92 Ca 0.17 0.01 -0.13 0.00 0.00 0.00 0.00 46.02 46.07 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 0.85 -5.75 1.61 0.13 -2.02 -3.46 132.00 123.37 2cui h PRO 93 Ca 0.00 -0.45 -0.49 0.00 -0.87 0.00 0.00 66.00 64.20 2cui h PRO 93 Cb 0.00 0.01 -0.16 0.00 0.13 0.00 0.00 31.00 30.99 2cui h PRO 93 CO 0.00 1.09 -0.75 -1.01 -0.23 0.00 0.00 178.00 177.09 2cui s HIS 94 N -4.39 1.80 0.41 1.56 3.76 -1.26 -5.12 115.29 112.05 2cui s HIS 94 Ca -0.12 -0.51 -0.25 0.00 -0.15 0.00 0.00 55.06 54.03 2cui s HIS 94 Cb 0.10 -0.85 -0.08 0.00 1.11 0.00 0.00 32.58 32.86 2cui s HIS 94 CO 0.86 0.38 1.27 0.15 -0.85 0.00 0.00 174.74 176.55 2cui s LYS 95 N -3.33 3.93 -0.18 1.40 1.02 -1.26 -3.40 119.74 117.92 2cui s LYS 95 Ca 0.21 2.07 -0.15 0.00 0.02 0.00 0.00 55.97 58.11 2cui s LYS 95 Cb -0.03 -2.70 -0.07 0.00 -0.52 0.00 0.00 37.83 34.52 2cui s LYS 95 CO 0.08 -0.49 -0.32 0.00 -0.92 0.00 0.00 175.35 173.69 2cui n ALA 96 N 0.03 1.16 -2.55 5.17 0.00 0.09 -4.85 120.51 119.55 2cui n ALA 96 Ca 0.04 -0.81 -0.26 0.00 0.00 0.00 0.00 53.44 52.41 2cui n ALA 96 Cb 0.44 0.08 -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 0.34 0.00 0.00 0.00 177.50 177.84 2cui s ASP 97 N -6.29 3.91 -0.25 0.00 2.15 -1.18 -4.74 116.67 110.27 2cui s ASP 97 Ca -0.29 -1.19 -0.15 0.00 0.43 0.00 0.00 52.55 51.35 2cui s ASP 97 Cb 0.06 -0.41 0.07 0.00 -0.30 0.00 0.00 42.92 42.35 2cui s ASP 97 CO 0.40 -0.30 0.63 -0.94 -0.17 0.00 0.00 175.17 174.79 2cui s SER 98 N -3.68 -0.84 0.21 -0.34 1.04 -1.26 0.31 113.70 109.15 2cui s SER 98 Ca 0.34 1.37 0.10 0.00 0.48 0.00 0.00 55.95 58.25 2cui s SER 98 Cb 0.04 1.25 -0.04 0.00 0.10 0.00 0.00 66.02 67.37 2cui s SER 98 CO 0.18 -0.23 -0.15 -0.51 0.98 0.00 0.00 173.24 173.51 2cui s ILE 99 N 1.51 2.83 -0.27 -1.02 2.07 -0.68 -4.96 121.20 120.68 2cui s ILE 99 Ca -0.09 -1.95 -0.01 0.00 -1.41 0.00 0.00 60.65 57.19 2cui s ILE 99 Cb -0.06 -2.42 0.04 0.00 0.13 0.00 0.00 42.46 40.15 2cui s ILE 99 CO -0.17 -0.20 -0.04 -1.10 -1.91 0.00 0.00 174.94 171.52 2cui s GLN 100 N -3.01 2.63 -0.21 3.50 -0.21 -1.26 -1.36 119.66 119.74 2cui s GLN 100 Ca 0.25 -1.12 -0.02 0.00 0.02 0.00 0.00 55.36 54.49 2cui s GLN 100 Cb -0.07 -3.07 0.01 0.00 1.00 0.00 0.00 33.01 30.87 2cui s GLN 100 CO 0.14 -0.50 -0.10 0.20 -2.12 0.00 0.00 175.29 172.91 2cui s GLY 101 N 1.28 1.54 -0.00 3.09 0.00 -0.72 -4.91 107.32 107.61 2cui s GLY 101 Ca -0.03 -1.23 -0.01 0.00 0.00 0.00 0.00 44.72 43.45 2cui s GLY 101 CO -0.03 0.39 0.10 -0.51 0.00 0.00 0.00 173.10 173.05 2cui s THR 102 N 1.39 4.82 -0.08 0.90 -4.23 -1.26 -1.72 115.64 115.46 2cui s THR 102 Ca 0.05 -0.39 -0.29 0.00 -1.18 0.00 0.00 61.69 59.88 2cui s THR 102 Cb -0.14 -3.22 0.07 0.00 1.34 0.00 0.00 72.50 70.54 2cui s THR 102 CO -0.07 0.33 0.65 0.00 -0.54 0.00 0.00 174.62 175.00 2cui s ALA 103 N -1.23 -1.68 -0.20 3.99 0.00 -1.22 -4.78 121.76 116.64 2cui s ALA 103 Ca 0.24 1.34 -0.02 0.00 0.00 0.00 0.00 51.96 53.52 2cui s ALA 103 Cb -0.12 -0.17 0.00 0.00 0.00 0.00 0.00 23.12 22.83 2cui s ALA 103 CO 0.15 -0.35 -0.11 0.50 0.00 0.00 0.00 175.76 175.94 2cui s ARG 104 N -0.96 3.22 1.27 0.00 3.52 -1.26 -2.06 118.95 122.68 2cui s ARG 104 Ca -0.09 -0.71 -0.18 0.00 -0.13 0.00 0.00 55.73 54.61 2cui s ARG 104 Cb -0.01 -2.81 0.31 0.00 -1.56 0.00 0.00 34.95 30.88 2cui s ARG 104 CO 0.08 -0.17 1.01 0.95 -0.81 0.00 0.00 175.30 176.36 2cui s THR 105 N 1.32 1.59 0.02 4.11 -4.23 -0.48 -4.91 115.64 113.06 2cui s THR 105 Ca 0.04 0.00 -0.02 0.00 -1.18 0.00 0.00 61.69 60.54 2cui s THR 105 Cb -0.14 -2.21 -0.04 0.00 1.34 0.00 0.00 72.50 71.45 2cui s THR 105 CO -0.06 0.00 0.19 -0.76 -0.54 0.00 0.00 174.62 173.44 2cui s LEU 106 N -7.34 4.34 0.16 4.79 1.43 -1.16 -3.89 118.68 117.01 2cui s LEU 106 Ca 0.69 0.30 0.08 0.00 -1.03 0.00 0.00 54.13 54.17 2cui s LEU 106 Cb -0.16 -2.72 -0.05 0.00 0.03 0.00 0.00 46.19 43.29 2cui s LEU 106 CO 0.59 0.23 1.37 -1.28 0.23 0.00 0.00 176.35 177.49 2cui h SER 107 N 3.56 0.00 -2.92 2.29 0.87 -1.87 -2.83 113.55 112.65 2cui h SER 107 Ca -0.48 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.08 2cui h SER 107 Cb 1.18 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 2cui h SER 107 CO 0.71 0.89 0.00 0.61 -0.53 0.00 0.00 176.83 178.51 2cui n GLY 108 N 1.05 3.02 0.22 5.77 0.00 -1.26 -4.76 105.19 109.22 2cui n GLY 108 Ca -0.00 -1.66 -0.07 0.00 0.00 0.00 0.00 46.02 44.29 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 0.50 -6.61 1.61 0.13 -2.04 -3.44 132.00 122.15 2cui h PRO 109 Ca 0.00 -0.26 -0.47 0.00 -0.87 0.00 0.00 66.00 64.40 2cui h PRO 109 Cb 0.00 0.01 0.02 0.00 0.13 0.00 0.00 31.00 31.16 2cui h PRO 109 CO 0.00 0.84 -0.14 -1.12 -0.23 0.00 0.00 178.00 177.35 2cui s SER 110 N -6.87 6.06 0.28 1.44 0.01 -1.26 -5.11 113.70 108.25 2cui s SER 110 Ca -0.07 0.36 -0.17 0.00 1.31 0.00 0.00 55.95 57.38 2cui s SER 110 Cb 0.12 -1.76 0.01 0.00 0.21 0.00 0.00 66.02 64.60 2cui s SER 110 CO 0.82 -0.50 0.63 -0.55 0.41 0.00 0.00 173.24 174.04 2cui s SER 111 N -4.13 -0.13 0.00 2.44 0.15 -1.26 -5.11 113.70 105.65 2cui s SER 111 Ca 0.44 -0.80 0.00 0.00 0.70 0.00 0.00 55.95 56.29 2cui s SER 111 Cb -0.10 0.68 0.00 0.00 -1.71 0.00 0.00 66.02 64.90 2cui s SER 111 CO 0.37 -1.30 0.00 0.61 1.20 0.00 0.00 173.24 174.12