#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 -0.59 -0.15 1.61 1.04 -1.26 -5.08 113.70 109.28 2cui s SER 2 Ca 0.00 0.91 -0.22 0.00 0.48 0.00 0.00 55.95 57.11 2cui s SER 2 Cb 0.00 0.84 -0.20 0.00 0.10 0.00 0.00 66.02 66.76 2cui s SER 2 CO 0.00 -0.36 0.48 0.28 0.98 0.00 0.00 173.24 174.63 2cui h SER 3 N 3.76 0.00 0.00 7.02 0.02 -2.15 -3.51 113.55 118.70 2cui h SER 3 Ca -0.26 -0.69 0.00 0.00 -0.84 0.00 0.00 61.79 60.00 2cui h SER 3 Cb 1.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.70 2cui h SER 3 CO 0.21 1.03 0.00 0.61 -1.14 0.00 0.00 176.83 177.55 2cui n GLY 4 N 1.59 2.02 2.91 -3.77 0.00 -1.26 -5.12 105.19 101.56 2cui n GLY 4 Ca -0.14 -1.17 -0.15 0.00 0.00 0.00 0.00 46.02 44.56 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 0.00 0.63 -0.17 1.61 0.01 -1.26 -5.12 113.70 109.40 2cui s SER 5 Ca 0.00 0.39 -0.05 0.00 1.31 0.00 0.00 55.95 57.60 2cui s SER 5 Cb 0.00 0.52 0.06 0.00 0.21 0.00 0.00 66.02 66.81 2cui s SER 5 CO 0.00 -0.25 0.09 -0.55 0.41 0.00 0.00 173.24 172.93 2cui s SER 6 N 2.37 2.34 -0.28 2.44 0.15 -1.26 -5.11 113.70 114.35 2cui s SER 6 Ca 0.03 -0.60 -0.08 0.00 0.70 0.00 0.00 55.95 55.99 2cui s SER 6 Cb -0.13 -0.26 0.13 0.00 -1.71 0.00 0.00 66.02 64.05 2cui s SER 6 CO -0.08 -0.34 0.59 -0.83 1.20 0.00 0.00 173.24 173.77 2cui s GLY 7 N 2.12 -0.67 -0.08 9.45 0.00 -1.26 -5.13 107.32 111.75 2cui s GLY 7 Ca 0.02 2.09 -0.30 0.00 0.00 0.00 0.00 44.72 46.53 2cui s GLY 7 CO -0.09 2.95 1.17 -0.56 0.00 0.00 0.00 173.10 176.57 2cui s SER 8 N 2.83 7.08 -0.10 1.64 0.01 -1.26 -5.02 113.70 118.87 2cui s SER 8 Ca -0.02 1.74 -0.12 0.00 1.31 0.00 0.00 55.95 58.86 2cui s SER 8 Cb -0.12 -2.56 0.03 0.00 0.21 0.00 0.00 66.02 63.58 2cui s SER 8 CO -0.18 -0.58 0.31 0.00 0.41 0.00 0.00 173.24 173.20 2cui s ARG 9 N 2.35 0.43 0.06 12.44 1.70 -1.26 -5.14 118.95 129.53 2cui s ARG 9 Ca 0.54 0.31 -0.31 0.00 -0.47 0.00 0.00 55.73 55.80 2cui s ARG 9 Cb -0.23 0.20 -0.07 0.00 -0.57 0.00 0.00 34.95 34.29 2cui s ARG 9 CO 0.20 -0.07 1.40 -1.25 -1.08 0.00 0.00 175.30 174.50 2cui s PRO 10 N -0.13 4.31 0.24 3.89 0.04 -1.26 -5.03 135.00 137.06 2cui s PRO 10 Ca -0.03 2.03 0.06 0.00 0.04 0.00 0.00 61.00 63.10 2cui s PRO 10 Cb -0.03 -3.40 -0.05 0.00 0.04 0.00 0.00 34.50 31.06 2cui s PRO 10 CO 0.01 -0.50 -0.06 1.03 0.04 0.00 0.00 177.00 177.53 2cui s ARG 11 N 1.69 1.39 0.59 4.56 1.81 -1.26 -4.93 118.95 122.81 2cui s ARG 11 Ca 0.64 -1.68 -0.08 0.00 -1.72 0.00 0.00 55.73 52.89 2cui s ARG 11 Cb -0.34 -0.91 -0.01 0.00 -0.45 0.00 0.00 34.95 33.23 2cui s ARG 11 CO 0.29 0.02 0.95 -0.51 -0.68 0.00 0.00 175.30 175.36 2cui s LEU 12 N -3.35 3.26 0.00 2.53 1.43 -1.26 -4.58 118.68 116.71 2cui s LEU 12 Ca 0.27 1.03 0.06 0.00 -1.03 0.00 0.00 54.13 54.46 2cui s LEU 12 Cb 0.04 -3.94 0.06 0.00 0.03 0.00 0.00 46.19 42.37 2cui s LEU 12 CO 0.09 -0.95 0.50 -0.24 0.23 0.00 0.00 176.35 175.98 2cui n SER 13 N -2.63 2.24 -4.58 2.29 2.88 -0.83 -4.99 113.62 107.98 2cui n SER 13 Ca 0.04 -2.52 -0.44 0.00 -1.33 0.00 0.00 58.87 54.63 2cui n SER 13 Cb 0.56 -0.17 -0.03 0.00 -0.75 0.00 0.00 64.21 63.81 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 -1.82 1.88 -2.69 -1.46 10.64 -1.26 -4.69 117.38 117.98 2cui n GLN 14 Ca 0.05 0.51 -0.42 0.00 -1.83 0.00 0.00 57.00 55.31 2cui n GLN 14 Cb 0.53 -3.16 -0.03 0.00 -0.86 0.00 0.00 30.24 26.72 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 8.21 3.73 0.31 2.61 2.96 -1.26 -4.67 118.68 130.56 2cui s LEU 15 Ca 1.02 -0.25 0.07 0.00 -0.22 0.00 0.00 54.13 54.75 2cui s LEU 15 Cb -0.39 -2.87 -0.03 0.00 0.50 0.00 0.00 46.19 43.40 2cui s LEU 15 CO 0.37 -1.45 0.27 -0.44 -1.32 0.00 0.00 176.35 173.78 2cui s SER 16 N 3.11 5.36 -0.18 3.68 0.01 -1.20 -4.64 113.70 119.84 2cui s SER 16 Ca 0.35 -0.42 0.00 0.00 1.31 0.00 0.00 55.95 57.19 2cui s SER 16 Cb -0.10 -1.09 0.01 0.00 0.21 0.00 0.00 66.02 65.05 2cui s SER 16 CO 0.20 -0.27 -0.17 -0.69 0.41 0.00 0.00 173.24 172.72 2cui s VAL 17 N -2.26 2.35 0.29 3.43 1.01 -1.26 -2.47 120.40 121.49 2cui s VAL 17 Ca 0.39 -0.85 0.11 0.00 0.00 0.00 0.00 61.98 61.63 2cui s VAL 17 Cb -0.06 -2.00 -0.05 0.00 0.00 0.00 0.00 36.38 34.26 2cui s VAL 17 CO 0.26 0.52 -0.12 0.42 0.00 0.00 0.00 175.10 176.18 2cui s THR 18 N 1.26 2.70 -1.68 3.92 -4.23 0.41 -4.67 115.64 113.36 2cui s THR 18 Ca 0.04 -2.23 0.00 0.00 -1.18 0.00 0.00 61.69 58.32 2cui s THR 18 Cb -0.14 -2.52 0.00 0.00 1.34 0.00 0.00 72.50 71.19 2cui s THR 18 CO -0.10 -0.35 0.00 0.47 -0.54 0.00 0.00 174.62 174.10 2cui n ASP 19 N -0.74 -5.58 -4.45 3.99 9.92 -1.26 -1.22 116.55 117.21 2cui n ASP 19 Ca -0.05 -0.00 -0.45 0.00 -0.53 0.00 0.00 54.79 53.75 2cui n ASP 19 Cb 0.60 -4.62 -0.10 0.00 -0.64 0.00 0.00 41.12 36.36 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 -3.97 0.02 -2.67 2.53 0.31 -1.26 -4.44 118.33 108.85 2cui n VAL 20 Ca -0.23 -0.21 -0.28 0.00 -0.01 0.00 0.00 64.34 63.61 2cui n VAL 20 Cb 0.67 -1.20 -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 8.75 4.89 0.26 2.52 2.01 0.56 -4.45 115.64 130.19 2cui s THR 21 Ca 1.20 0.26 -0.04 0.00 0.31 0.00 0.00 61.69 63.43 2cui s THR 21 Cb -1.00 -3.84 0.29 0.00 0.01 0.00 0.00 72.50 67.95 2cui s THR 21 CO 0.47 -0.79 1.64 0.71 -0.69 0.00 0.00 174.62 175.96 2cui h THR 22 N 0.37 0.34 0.00 -0.82 1.35 -1.91 -2.41 112.91 109.83 2cui h THR 22 Ca -0.47 -0.05 0.00 0.00 -0.55 0.00 0.00 66.41 65.34 2cui h THR 22 Cb 1.20 0.18 0.00 0.00 -1.73 0.00 0.00 68.15 67.80 2cui h THR 22 CO 0.62 0.03 -0.17 -1.54 -0.25 0.00 0.00 175.52 174.21 2cui n SER 23 N -5.30 1.54 -2.84 5.36 3.41 -1.26 -3.41 113.62 111.12 2cui n SER 23 Ca 0.16 -2.70 -0.12 0.00 -0.26 0.00 0.00 58.87 55.95 2cui n SER 23 Cb 0.54 -0.35 -0.01 0.00 -0.26 0.00 0.00 64.21 64.13 2cui n SER 23 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2cui n SER 24 N -0.94 -1.57 -3.73 4.04 7.64 -0.94 -1.03 113.62 117.09 2cui n SER 24 Ca 0.10 -2.72 0.01 0.00 1.01 0.00 0.00 58.87 57.28 2cui n SER 24 Cb 0.66 2.80 0.01 0.00 -1.01 0.00 0.00 64.21 66.67 2cui n SER 24 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 2cui s LEU 25 N 0.00 0.01 0.02 -3.43 0.05 -1.17 0.21 118.68 114.37 2cui s LEU 25 Ca 0.24 -0.30 0.02 0.00 0.05 0.00 0.00 54.13 54.14 2cui s LEU 25 Cb -0.02 1.47 -0.02 0.00 -2.05 0.00 0.00 46.19 45.57 2cui s LEU 25 CO 0.17 -0.44 -0.07 -0.60 -0.55 0.00 0.00 176.35 174.86 2cui s ARG 26 N -2.04 0.52 0.25 1.48 3.52 -0.36 -3.27 118.95 119.07 2cui s ARG 26 Ca 0.28 -0.54 0.10 0.00 -0.13 0.00 0.00 55.73 55.44 2cui s ARG 26 Cb -0.01 -0.39 -0.04 0.00 -1.56 0.00 0.00 34.95 32.94 2cui s ARG 26 CO 0.01 0.09 -0.08 -0.51 -0.81 0.00 0.00 175.30 174.00 2cui s LEU 27 N -0.99 2.98 -0.25 -0.88 1.43 -0.04 -0.44 118.68 120.49 2cui s LEU 27 Ca -0.05 -0.74 -0.05 0.00 -1.03 0.00 0.00 54.13 52.26 2cui s LEU 27 Cb -0.07 -1.53 0.13 0.00 0.03 0.00 0.00 46.19 44.75 2cui s LEU 27 CO 0.00 0.03 0.49 0.20 0.23 0.00 0.00 176.35 177.30 2cui s ASN 28 N -3.46 -0.52 0.01 2.29 0.01 -1.03 -3.64 114.94 108.60 2cui s ASN 28 Ca 0.30 0.90 0.04 0.00 -0.71 0.00 0.00 52.86 53.39 2cui s ASN 28 Cb -0.06 1.64 -0.02 0.00 0.41 0.00 0.00 41.25 43.22 2cui s ASN 28 CO 0.18 -0.25 -0.13 -1.66 -1.51 0.00 0.00 177.10 173.72 2cui s TRP 29 N 2.70 1.17 -0.14 2.20 -2.14 -1.22 -3.26 118.94 118.26 2cui s TRP 29 Ca 0.05 -0.29 -0.11 0.00 2.66 0.00 0.00 56.10 58.42 2cui s TRP 29 Cb -0.13 -0.72 -0.05 0.00 -3.10 0.00 0.00 33.47 29.46 2cui s TRP 29 CO -0.16 0.01 0.22 -2.00 -2.66 0.00 0.00 176.95 172.35 2cui s GLU 30 N -0.73 3.93 -0.06 3.25 2.56 -1.26 -4.67 118.70 121.73 2cui s GLU 30 Ca 0.03 -0.01 -0.09 0.00 0.00 0.00 0.00 54.97 54.90 2cui s GLU 30 Cb -0.06 -3.32 0.02 0.00 2.00 0.00 0.00 34.13 32.76 2cui s GLU 30 CO 0.00 0.49 0.23 0.00 -0.56 0.00 0.00 175.26 175.43 2cui s ALA 31 N -0.25 -0.58 0.94 6.30 0.00 -1.26 -1.97 121.76 124.94 2cui s ALA 31 Ca 0.15 0.47 -0.12 0.00 0.00 0.00 0.00 51.96 52.46 2cui s ALA 31 Cb -0.13 -0.22 0.15 0.00 0.00 0.00 0.00 23.12 22.92 2cui s ALA 31 CO 0.04 -0.16 1.09 -1.25 0.00 0.00 0.00 175.76 175.48 2cui s PRO 32 N -0.41 0.89 0.58 0.00 0.04 -1.26 -5.00 135.00 129.85 2cui s PRO 32 Ca -0.05 0.69 -0.18 0.00 0.04 0.00 0.00 61.00 61.50 2cui s PRO 32 Cb -0.03 -1.78 -0.04 0.00 0.04 0.00 0.00 34.50 32.69 2cui s PRO 32 CO 0.01 -2.46 1.12 -1.25 0.04 0.00 0.00 177.00 174.47 2cui s PRO 33 N -4.95 3.17 -1.55 0.56 0.04 -1.26 -3.07 135.00 127.94 2cui s PRO 33 Ca 0.64 1.53 0.00 0.00 0.04 0.00 0.00 61.00 63.22 2cui s PRO 33 Cb -0.18 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.37 2cui s PRO 33 CO 0.57 -0.98 0.00 0.41 0.04 0.00 0.00 177.00 177.04 2cui n GLY 34 N -0.08 1.39 0.19 0.56 0.00 -1.26 -4.85 105.19 101.14 2cui n GLY 34 Ca 0.11 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.06 2cui n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cui h ALA 35 N 0.44 -0.69 -2.38 4.61 0.00 -1.93 -3.48 119.26 115.83 2cui h ALA 35 Ca -0.30 -0.10 -0.23 0.00 0.00 0.00 0.00 54.91 54.28 2cui h ALA 35 Cb 1.02 0.17 -0.16 0.00 0.00 0.00 0.00 17.79 18.82 2cui h ALA 35 CO 0.44 -0.66 -0.70 -0.06 0.00 0.00 0.00 179.25 178.27 2cui s PHE 36 N -3.24 0.86 0.00 0.00 0.40 -1.26 -4.80 117.98 109.94 2cui s PHE 36 Ca -0.06 -0.85 -0.21 0.00 -0.60 0.00 0.00 56.93 55.20 2cui s PHE 36 Cb 0.01 -0.50 -0.20 0.00 0.51 0.00 0.00 43.02 42.84 2cui s PHE 36 CO 0.19 -0.14 1.17 0.22 0.70 0.00 0.00 175.22 177.36 2cui h ASP 37 N 3.21 0.38 -5.64 1.36 3.58 -0.65 -3.34 116.42 115.32 2cui h ASP 37 Ca -0.35 -0.66 -0.35 0.00 0.42 0.00 0.00 57.03 56.09 2cui h ASP 37 Cb 1.17 -0.11 -0.09 0.00 1.72 0.00 0.00 39.33 42.02 2cui h ASP 37 CO 0.61 0.98 -0.25 -0.94 -2.88 0.00 0.00 179.24 176.75 2cui s SER 38 N -6.38 1.24 -0.09 2.28 1.04 -1.14 -2.36 113.70 108.29 2cui s SER 38 Ca -0.14 -1.61 -0.01 0.00 0.48 0.00 0.00 55.95 54.67 2cui s SER 38 Cb 0.03 0.66 0.03 0.00 0.10 0.00 0.00 66.02 66.84 2cui s SER 38 CO 0.77 -1.27 -0.02 -0.36 0.98 0.00 0.00 173.24 173.33 2cui s PHE 39 N -3.02 0.96 -0.42 5.02 0.08 0.49 -1.87 117.98 119.22 2cui s PHE 39 Ca 0.33 -0.39 -0.12 0.00 0.12 0.00 0.00 56.93 56.87 2cui s PHE 39 Cb -0.00 -0.96 0.06 0.00 -0.57 0.00 0.00 43.02 41.55 2cui s PHE 39 CO 0.24 -0.40 0.29 -1.17 -0.10 0.00 0.00 175.22 174.08 2cui s LEU 40 N 1.88 5.19 -0.21 -0.37 2.96 -0.72 -2.46 118.68 124.94 2cui s LEU 40 Ca 0.05 -1.24 -0.15 0.00 -0.22 0.00 0.00 54.13 52.57 2cui s LEU 40 Cb -0.13 -2.08 -0.04 0.00 0.50 0.00 0.00 46.19 44.44 2cui s LEU 40 CO -0.06 -0.52 0.35 -0.22 -1.32 0.00 0.00 176.35 174.58 2cui s LEU 41 N 1.56 4.14 -0.24 -0.68 2.96 -1.11 -1.37 118.68 123.94 2cui s LEU 41 Ca 0.03 0.42 -0.02 0.00 -0.22 0.00 0.00 54.13 54.34 2cui s LEU 41 Cb -0.22 -2.43 0.02 0.00 0.50 0.00 0.00 46.19 44.06 2cui s LEU 41 CO 0.06 -0.06 -0.06 -0.13 -1.32 0.00 0.00 176.35 174.84 2cui s ARG 42 N 1.33 2.96 -0.26 1.98 0.52 -0.66 -1.87 118.95 122.95 2cui s ARG 42 Ca 0.16 -0.89 -0.03 0.00 -0.52 0.00 0.00 55.73 54.45 2cui s ARG 42 Cb -0.15 -2.98 0.02 0.00 0.52 0.00 0.00 34.95 32.36 2cui s ARG 42 CO 0.07 -0.35 -0.01 -0.59 0.02 0.00 0.00 175.30 174.44 2cui s PHE 43 N 1.36 3.09 0.16 -0.53 -0.71 -1.24 -2.00 117.98 118.11 2cui s PHE 43 Ca 0.02 -1.34 0.08 0.00 -1.04 0.00 0.00 56.93 54.65 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 -0.04 -0.67 -0.16 0.20 -1.34 0.00 0.00 175.22 173.21 2cui s GLY 44 N 1.39 1.31 -0.39 1.99 0.00 -1.08 -4.53 107.32 106.02 2cui s GLY 44 Ca 0.01 -1.47 -0.29 0.00 0.00 0.00 0.00 44.72 42.97 2cui s GLY 44 CO -0.02 -1.54 1.27 0.14 0.00 0.00 0.00 173.10 172.95 2cui s VAL 45 N -2.30 4.12 -0.41 1.40 1.01 -1.26 -2.83 120.40 120.14 2cui s VAL 45 Ca 0.15 1.20 -0.28 0.00 0.00 0.00 0.00 61.98 63.05 2cui s VAL 45 Cb -0.04 -4.32 -0.01 0.00 0.00 0.00 0.00 36.38 32.00 2cui s VAL 45 CO 0.06 -0.71 1.73 -2.16 0.00 0.00 0.00 175.10 174.02 2cui s PRO 46 N 4.44 3.23 -0.09 2.72 0.04 -1.26 -4.99 135.00 139.09 2cui s PRO 46 Ca 0.54 1.15 -0.02 0.00 0.04 0.00 0.00 61.00 62.71 2cui s PRO 46 Cb -0.13 -4.21 -0.03 0.00 0.04 0.00 0.00 34.50 30.18 2cui s PRO 46 CO 0.28 -1.99 0.01 -1.54 0.04 0.00 0.00 177.00 173.80 2cui s SER 47 N 6.10 5.31 0.26 6.66 1.04 -1.26 -5.05 113.70 126.75 2cui s SER 47 Ca 0.73 0.16 -0.30 0.00 0.48 0.00 0.00 55.95 57.03 2cui s SER 47 Cb -0.19 -1.51 -0.09 0.00 0.10 0.00 0.00 66.02 64.33 2cui s SER 47 CO 0.31 0.38 1.26 -2.16 0.98 0.00 0.00 173.24 174.01 2cui s PRO 48 N -0.91 4.43 0.37 4.02 0.04 -1.26 -4.93 135.00 136.75 2cui s PRO 48 Ca 0.14 2.05 0.26 0.00 0.04 0.00 0.00 61.00 63.49 2cui s PRO 48 Cb -0.11 -3.16 0.72 0.00 0.04 0.00 0.00 34.50 31.99 2cui s PRO 48 CO 0.03 -0.14 1.73 1.03 0.04 0.00 0.00 177.00 179.69 2cui h SER 49 N 4.43 0.00 0.56 6.66 0.87 -2.00 -3.14 113.55 120.93 2cui h SER 49 Ca -0.46 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 59.96 2cui h SER 49 Cb 1.22 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.16 2cui h SER 49 CO 0.71 0.00 -0.63 0.71 -0.53 0.00 0.00 176.83 177.09 2cui h THR 50 N 0.00 1.44 -1.97 2.23 1.35 -2.06 -3.45 112.91 110.44 2cui h THR 50 Ca 0.00 -2.13 -0.45 0.00 -0.55 0.00 0.00 66.41 63.28 2cui h THR 50 Cb 0.77 2.13 -0.00 0.00 -1.73 0.00 0.00 68.15 69.32 2cui h THR 50 CO 0.00 0.61 -0.38 -0.22 -0.25 0.00 0.00 175.52 175.28 2cui s LEU 51 N -7.67 4.12 0.31 3.87 2.96 -1.19 -5.10 118.68 116.00 2cui s LEU 51 Ca -0.02 -0.08 -0.24 0.00 -0.22 0.00 0.00 54.13 53.57 2cui s LEU 51 Cb 0.12 -2.80 -0.10 0.00 0.50 0.00 0.00 46.19 43.92 2cui s LEU 51 CO 0.78 -0.27 0.90 -1.61 -1.32 0.00 0.00 176.35 174.83 2cui s GLU 52 N -4.08 4.48 0.50 1.98 2.02 -1.26 -4.86 118.70 117.47 2cui s GLU 52 Ca 0.40 1.22 -0.21 0.00 0.02 0.00 0.00 54.97 56.39 2cui s GLU 52 Cb -0.09 -2.75 -0.07 0.00 0.10 0.00 0.00 34.13 31.32 2cui s GLU 52 CO 0.30 0.27 1.15 -1.25 0.02 0.00 0.00 175.26 175.75 2cui s PRO 53 N -2.15 3.57 0.32 0.39 0.04 -1.26 -5.01 135.00 130.90 2cui s PRO 53 Ca 0.50 1.70 -0.27 0.00 0.04 0.00 0.00 61.00 62.97 2cui s PRO 53 Cb -0.17 -2.22 -0.09 0.00 0.04 0.00 0.00 34.50 32.05 2cui s PRO 53 CO 0.22 -0.69 1.05 -1.01 0.04 0.00 0.00 177.00 176.61 2cui s HIS 54 N -1.65 3.54 -1.89 0.56 3.76 -1.26 -4.92 115.29 113.44 2cui s HIS 54 Ca 0.68 1.72 0.15 0.00 -0.15 0.00 0.00 55.06 57.46 2cui s HIS 54 Cb -0.26 -3.16 0.90 0.00 1.11 0.00 0.00 32.58 31.17 2cui s HIS 54 CO 0.31 -0.37 1.36 -0.35 -0.85 0.00 0.00 174.74 174.84 2cui n PRO 55 N 0.76 0.43 -3.16 8.40 -0.04 -1.26 -4.67 135.00 135.46 2cui n PRO 55 Ca 0.01 0.03 -0.40 0.00 -0.04 0.00 0.00 63.50 63.10 2cui n PRO 55 Cb 0.47 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.37 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 -2.11 4.15 -0.01 0.54 3.00 -1.26 -5.03 118.95 118.23 2cui s ARG 56 Ca 0.22 0.51 -0.30 0.00 -1.00 0.00 0.00 55.73 55.15 2cui s ARG 56 Cb 0.11 -3.61 -0.06 0.00 0.00 0.00 0.00 34.95 31.39 2cui s ARG 56 CO 0.19 -0.29 1.46 -1.25 0.00 0.00 0.00 175.30 175.41 2cui s PRO 57 N 2.09 4.25 -0.37 5.12 0.04 -1.26 -5.00 135.00 139.88 2cui s PRO 57 Ca 0.26 2.02 -0.07 0.00 0.04 0.00 0.00 61.00 63.24 2cui s PRO 57 Cb -0.16 -3.65 0.05 0.00 0.04 0.00 0.00 34.50 30.78 2cui s PRO 57 CO 0.09 -0.65 0.17 -0.48 0.04 0.00 0.00 177.00 176.17 2cui s LEU 58 N 2.76 4.66 0.36 -3.56 2.34 -1.26 -5.08 118.68 118.90 2cui s LEU 58 Ca 0.66 -1.28 -0.27 0.00 0.06 0.00 0.00 54.13 53.29 2cui s LEU 58 Cb -0.32 -1.92 -0.10 0.00 -0.56 0.00 0.00 46.19 43.30 2cui s LEU 58 CO 0.27 -0.41 1.27 -0.22 -1.06 0.00 0.00 176.35 176.20 2cui s LEU 59 N 1.41 4.34 0.12 1.48 2.96 -1.26 -5.03 118.68 122.70 2cui s LEU 59 Ca 0.01 2.60 0.04 0.00 -0.22 0.00 0.00 54.13 56.55 2cui s LEU 59 Cb -0.21 -3.77 -0.04 0.00 0.50 0.00 0.00 46.19 42.67 2cui s LEU 59 CO 0.03 -0.61 0.13 0.00 -1.32 0.00 0.00 176.35 174.57 2cui s GLN 60 N -1.97 2.98 0.29 1.98 0.00 -1.26 -5.06 119.66 116.63 2cui s GLN 60 Ca 0.52 -0.73 -0.02 0.00 -0.00 0.00 0.00 55.36 55.13 2cui s GLN 60 Cb -0.37 -2.74 -0.02 0.00 0.00 0.00 0.00 33.01 29.88 2cui s GLN 60 CO 0.49 0.53 0.35 1.03 0.00 0.00 0.00 175.29 177.69 2cui s ARG 61 N -2.75 1.64 0.17 9.60 0.52 -1.26 -5.13 118.95 121.74 2cui s ARG 61 Ca 0.31 -1.70 -0.18 0.00 -0.52 0.00 0.00 55.73 53.64 2cui s ARG 61 Cb -0.11 0.38 0.04 0.00 0.52 0.00 0.00 34.95 35.77 2cui s ARG 61 CO 0.24 -0.64 0.51 -1.83 0.02 0.00 0.00 175.30 173.60 2cui s GLU 62 N -3.58 1.29 0.12 3.54 1.03 -1.26 -3.70 118.70 116.14 2cui s GLU 62 Ca 0.33 -0.75 0.05 0.00 0.03 0.00 0.00 54.97 54.64 2cui s GLU 62 Cb 0.02 0.52 -0.04 0.00 -0.80 0.00 0.00 34.13 33.83 2cui s GLU 62 CO 0.18 -0.54 0.05 -1.17 -1.33 0.00 0.00 175.26 172.44 2cui s LEU 63 N -2.83 3.59 -0.27 1.83 2.96 -0.78 -4.93 118.68 118.25 2cui s LEU 63 Ca 0.06 -0.17 0.03 0.00 -0.22 0.00 0.00 54.13 53.83 2cui s LEU 63 Cb -0.00 -2.27 0.06 0.00 0.50 0.00 0.00 46.19 44.48 2cui s LEU 63 CO -0.07 0.13 -0.09 -0.32 -1.32 0.00 0.00 176.35 174.68 2cui s MET 64 N -2.62 2.19 -0.03 1.98 1.75 -1.26 -2.74 119.30 118.58 2cui s MET 64 Ca 0.28 -1.39 0.02 0.00 -1.25 0.00 0.00 55.69 53.35 2cui s MET 64 Cb -0.11 -2.93 0.01 0.00 2.84 0.00 0.00 34.83 34.63 2cui s MET 64 CO 0.20 -0.60 -0.07 0.08 -0.65 0.00 0.00 175.02 173.98 2cui s VAL 65 N 1.09 0.67 0.61 10.11 1.01 -1.03 -4.97 120.40 127.90 2cui s VAL 65 Ca -0.07 -0.29 -0.17 0.00 0.00 0.00 0.00 61.98 61.45 2cui s VAL 65 Cb -0.20 -0.61 -0.02 0.00 0.00 0.00 0.00 36.38 35.55 2cui s VAL 65 CO -0.05 0.22 1.12 -2.16 0.00 0.00 0.00 175.10 174.23 2cui s PRO 66 N 0.28 3.03 0.25 2.72 0.04 -1.26 0.19 135.00 140.24 2cui s PRO 66 Ca -0.04 1.47 -0.05 0.00 0.04 0.00 0.00 61.00 62.42 2cui s PRO 66 Cb -0.09 -1.97 0.48 0.00 0.04 0.00 0.00 34.50 32.96 2cui s PRO 66 CO 0.00 -1.08 1.65 0.78 0.04 0.00 0.00 177.00 178.39 2cui h GLY 67 N 0.49 0.97 1.04 0.56 0.00 -1.59 0.59 103.07 105.13 2cui h GLY 67 Ca -0.48 0.04 0.08 0.00 0.00 0.00 0.00 47.33 46.97 2cui h GLY 67 CO 0.55 -0.27 0.40 0.00 0.00 0.00 0.00 176.54 177.22 2cui h THR 68 N 0.17 0.28 -3.33 4.70 1.03 -1.87 -3.37 112.91 110.53 2cui h THR 68 Ca 0.43 0.00 -0.66 0.00 -0.01 0.00 0.00 66.41 66.17 2cui h THR 68 Cb 0.77 0.66 -0.28 0.00 -1.07 0.00 0.00 68.15 68.24 2cui h THR 68 CO -0.60 0.00 -0.75 -0.13 -0.01 0.00 0.00 175.52 174.03 2cui s ARG 69 N -4.48 3.37 -0.64 0.00 0.52 0.21 -5.04 118.95 112.87 2cui s ARG 69 Ca -0.04 -0.66 0.05 0.00 -0.52 0.00 0.00 55.73 54.56 2cui s ARG 69 Cb 0.14 -2.79 0.27 0.00 0.52 0.00 0.00 34.95 33.09 2cui s ARG 69 CO 0.48 0.02 0.83 0.72 0.02 0.00 0.00 175.30 177.37 2cui n HIS 70 N 4.12 3.71 -3.98 -0.53 8.25 -1.26 -4.31 115.22 121.22 2cui n HIS 70 Ca -0.18 -4.05 -0.09 0.00 -0.26 0.00 0.00 57.72 53.13 2cui n HIS 70 Cb 0.52 -0.57 -0.10 0.00 1.12 0.00 0.00 29.99 30.96 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 -2.70 0.26 -0.27 0.41 1.04 -1.26 -3.39 113.70 107.79 2cui s SER 71 Ca 0.42 -0.62 -0.10 0.00 0.48 0.00 0.00 55.95 56.13 2cui s SER 71 Cb 0.18 0.18 0.11 0.00 0.10 0.00 0.00 66.02 66.59 2cui s SER 71 CO -0.04 -0.46 0.60 0.00 0.98 0.00 0.00 173.24 174.32 2cui s ALA 72 N -2.52 -1.81 -0.21 5.32 0.00 -1.24 -4.88 121.76 116.41 2cui s ALA 72 Ca -0.06 2.17 0.02 0.00 0.00 0.00 0.00 51.96 54.09 2cui s ALA 72 Cb -0.02 -1.60 0.04 0.00 0.00 0.00 0.00 23.12 21.54 2cui s ALA 72 CO -0.05 -0.77 -0.16 0.08 0.00 0.00 0.00 175.76 174.86 2cui s VAL 73 N 2.56 2.12 -0.14 0.00 1.01 -1.26 -0.86 120.40 123.83 2cui s VAL 73 Ca -0.06 -1.24 -0.10 0.00 0.00 0.00 0.00 61.98 60.59 2cui s VAL 73 Cb -0.11 -2.05 -0.05 0.00 0.00 0.00 0.00 36.38 34.18 2cui s VAL 73 CO -0.18 0.29 0.18 -0.76 0.00 0.00 0.00 175.10 174.64 2cui s LEU 74 N 1.21 4.31 0.42 3.92 2.01 -1.20 -4.98 118.68 124.37 2cui s LEU 74 Ca -0.01 0.43 0.04 0.00 0.01 0.00 0.00 54.13 54.61 2cui s LEU 74 Cb -0.16 -2.16 -0.05 0.00 0.01 0.00 0.00 46.19 43.83 2cui s LEU 74 CO -0.09 0.28 0.03 -0.13 1.01 0.00 0.00 176.35 177.44 2cui s ARG 75 N -0.34 1.97 -1.33 1.70 0.52 -1.26 -3.04 118.95 117.17 2cui s ARG 75 Ca 0.14 -2.17 -0.07 0.00 -0.52 0.00 0.00 55.73 53.11 2cui s ARG 75 Cb -0.12 -1.35 0.01 0.00 0.52 0.00 0.00 34.95 34.01 2cui s ARG 75 CO 0.03 -0.21 1.15 -3.47 0.02 0.00 0.00 175.30 172.81 2cui n ASP 76 N -1.04 -5.50 -4.98 0.23 2.03 -1.21 -4.98 116.55 101.10 2cui n ASP 76 Ca -0.09 -0.56 -0.20 0.00 0.52 0.00 0.00 54.79 54.47 2cui n ASP 76 Cb 0.67 -5.05 -0.01 0.00 -0.72 0.00 0.00 41.12 36.01 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 -7.12 4.04 0.94 -2.67 1.43 -0.20 -5.07 118.68 110.02 2cui s LEU 77 Ca 0.47 -0.10 -0.12 0.00 -1.03 0.00 0.00 54.13 53.35 2cui s LEU 77 Cb -0.21 -2.80 0.15 0.00 0.03 0.00 0.00 46.19 43.36 2cui s LEU 77 CO 0.73 -0.36 1.10 -0.60 0.23 0.00 0.00 176.35 177.46 2cui s ARG 78 N -4.15 0.94 -0.02 1.70 3.52 -1.26 -4.55 118.95 115.13 2cui s ARG 78 Ca 0.43 0.53 -0.15 0.00 -0.13 0.00 0.00 55.73 56.41 2cui s ARG 78 Cb -0.09 -1.79 -0.05 0.00 -1.56 0.00 0.00 34.95 31.45 2cui s ARG 78 CO 0.31 -2.39 0.41 -1.12 -0.81 0.00 0.00 175.30 171.70 2cui s SER 79 N -3.64 6.78 -1.54 -2.12 0.01 -1.26 -4.33 113.70 107.60 2cui s SER 79 Ca 0.64 0.93 -0.03 0.00 1.31 0.00 0.00 55.95 58.79 2cui s SER 79 Cb -0.17 -2.25 0.03 0.00 0.21 0.00 0.00 66.02 63.84 2cui s SER 79 CO 0.56 0.28 0.26 0.61 0.41 0.00 0.00 173.24 175.36 2cui n GLY 80 N 2.06 -0.20 3.19 3.44 0.00 -0.97 -4.93 105.19 107.78 2cui n GLY 80 Ca -0.13 0.16 -0.22 0.00 0.00 0.00 0.00 46.02 45.82 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 -4.06 1.36 -0.23 2.61 2.01 -1.26 -4.90 115.64 111.18 2cui s THR 81 Ca 0.13 -1.13 -0.19 0.00 0.31 0.00 0.00 61.69 60.80 2cui s THR 81 Cb -0.07 -1.22 -0.03 0.00 0.01 0.00 0.00 72.50 71.20 2cui s THR 81 CO 0.96 0.06 0.58 -0.22 -0.69 0.00 0.00 174.62 175.31 2cui s LEU 82 N -1.24 4.10 -0.04 4.42 1.98 -1.26 -2.12 118.68 124.53 2cui s LEU 82 Ca 0.04 0.69 -0.00 0.00 -2.89 0.00 0.00 54.13 51.97 2cui s LEU 82 Cb -0.08 -2.79 -0.04 0.00 0.66 0.00 0.00 46.19 43.94 2cui s LEU 82 CO 0.02 -0.28 0.01 -0.31 -1.89 0.00 0.00 176.35 173.90 2cui s TYR 83 N 2.11 3.14 -0.47 5.38 1.51 -0.92 -4.51 117.35 123.58 2cui s TYR 83 Ca 0.25 0.14 -0.17 0.00 -1.01 0.00 0.00 57.07 56.29 2cui s TYR 83 Cb -0.16 -1.73 0.06 0.00 -0.11 0.00 0.00 41.96 40.03 2cui s TYR 83 CO 0.09 0.48 0.45 0.45 -1.11 0.00 0.00 175.55 175.91 2cui s SER 84 N -1.31 6.17 0.15 2.29 0.15 -1.13 -3.44 113.70 116.58 2cui s SER 84 Ca 0.17 -1.14 -0.01 0.00 0.70 0.00 0.00 55.95 55.67 2cui s SER 84 Cb -0.11 -2.21 -0.04 0.00 -1.71 0.00 0.00 66.02 61.94 2cui s SER 84 CO 0.08 -0.69 0.33 -0.76 1.20 0.00 0.00 173.24 173.39 2cui s LEU 85 N 1.94 4.28 -0.27 3.45 1.43 -1.00 -2.62 118.68 125.89 2cui s LEU 85 Ca 0.08 0.38 -0.00 0.00 -1.03 0.00 0.00 54.13 53.56 2cui s LEU 85 Cb -0.22 -3.12 0.16 0.00 0.03 0.00 0.00 46.19 43.04 2cui s LEU 85 CO 0.09 0.04 0.45 -0.89 0.23 0.00 0.00 176.35 176.27 2cui s THR 86 N -1.72 -0.73 0.33 5.49 2.01 -0.85 -1.93 115.64 118.24 2cui s THR 86 Ca 0.38 -0.11 -0.14 0.00 0.31 0.00 0.00 61.69 62.12 2cui s THR 86 Cb -0.12 -0.92 -0.09 0.00 0.01 0.00 0.00 72.50 71.39 2cui s THR 86 CO 0.28 -0.13 0.73 -0.22 -0.69 0.00 0.00 174.62 174.59 2cui s LEU 87 N 2.64 4.04 -0.08 4.42 2.96 -0.80 -1.65 118.68 130.21 2cui s LEU 87 Ca 0.13 1.26 0.01 0.00 -0.22 0.00 0.00 54.13 55.31 2cui s LEU 87 Cb -0.14 -4.06 0.02 0.00 0.50 0.00 0.00 46.19 42.51 2cui s LEU 87 CO -0.22 -0.22 -0.09 -0.31 -1.32 0.00 0.00 176.35 174.19 2cui s TYR 88 N -2.01 1.39 -1.20 5.38 2.02 -0.47 -1.56 117.35 120.90 2cui s TYR 88 Ca 0.54 -0.59 -0.17 0.00 -0.37 0.00 0.00 57.07 56.49 2cui s TYR 88 Cb -0.10 -1.10 0.12 0.00 -0.40 0.00 0.00 41.96 40.48 2cui s TYR 88 CO 0.19 -0.37 1.52 0.20 -1.57 0.00 0.00 175.55 175.52 2cui s GLY 89 N 1.15 1.97 -0.31 0.71 0.00 -0.36 -1.76 107.32 108.73 2cui s GLY 89 Ca -0.06 -3.04 -0.28 0.00 0.00 0.00 0.00 44.72 41.34 2cui s GLY 89 CO -0.02 2.36 2.28 1.04 0.00 0.00 0.00 173.10 178.76 2cui n LEU 90 N 7.07 2.89 -0.46 0.66 7.99 -0.78 -1.79 117.00 132.59 2cui n LEU 90 Ca 0.40 0.05 0.04 0.00 -0.01 0.00 0.00 56.01 56.48 2cui n LEU 90 Cb 0.45 -1.53 0.10 0.00 -0.11 0.00 0.00 43.42 42.34 2cui n LEU 90 CO 0.67 -0.91 0.58 -1.14 -1.51 0.00 0.00 177.39 175.08 2cui n ARG 91 N 8.78 1.58 0.00 3.23 0.63 -1.20 0.06 116.66 129.73 2cui n ARG 91 Ca 0.33 -0.85 0.00 0.00 -0.92 0.00 0.00 57.85 56.41 2cui n ARG 91 Cb 0.45 -1.21 0.00 0.00 0.45 0.00 0.00 32.46 32.14 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 0.84 0.80 0.08 5.14 0.00 -1.26 -4.68 105.19 106.10 2cui n GLY 92 Ca 0.08 -0.33 -0.13 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.07 -5.72 1.61 0.13 -2.01 -3.46 132.00 122.48 2cui h PRO 93 Ca 0.00 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.65 2cui h PRO 93 Cb 0.00 0.02 -0.15 0.00 0.13 0.00 0.00 31.00 30.99 2cui h PRO 93 CO 0.00 0.39 -0.75 -3.38 -0.23 0.00 0.00 178.00 174.03 2cui s HIS 94 N -4.21 1.78 0.44 1.56 -3.43 -1.26 -5.12 115.29 105.06 2cui s HIS 94 Ca -0.15 -0.52 -0.25 0.00 -0.80 0.00 0.00 55.06 53.33 2cui s HIS 94 Cb 0.02 -0.84 -0.08 0.00 -1.43 0.00 0.00 32.58 30.24 2cui s HIS 94 CO 0.64 0.38 1.40 0.15 -2.00 0.00 0.00 174.74 175.31 2cui s LYS 95 N -3.36 3.72 -0.22 -0.38 1.02 -1.26 -3.27 119.74 116.00 2cui s LYS 95 Ca 0.21 2.37 -0.14 0.00 0.02 0.00 0.00 55.97 58.42 2cui s LYS 95 Cb -0.03 -2.66 -0.09 0.00 -0.52 0.00 0.00 37.83 34.53 2cui s LYS 95 CO 0.07 -0.77 -0.32 0.00 -0.92 0.00 0.00 175.35 173.41 2cui n ALA 96 N -0.16 1.25 -2.60 5.17 0.00 -0.74 -4.83 120.51 118.61 2cui n ALA 96 Ca 0.05 -0.91 -0.28 0.00 0.00 0.00 0.00 53.44 52.30 2cui n ALA 96 Cb 0.42 0.13 -0.11 0.00 0.00 0.00 0.00 19.45 19.89 2cui n ALA 96 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 2cui s ASP 97 N -6.77 3.86 -0.28 0.00 1.47 -1.24 -4.96 116.67 108.76 2cui s ASP 97 Ca -0.32 -1.33 -0.09 0.00 1.18 0.00 0.00 52.55 51.99 2cui s ASP 97 Cb 0.10 -0.39 0.12 0.00 -0.34 0.00 0.00 42.92 42.41 2cui s ASP 97 CO 0.43 -0.40 0.59 -0.94 0.68 0.00 0.00 175.17 175.53 2cui s SER 98 N -3.69 -0.93 0.25 2.11 1.04 -1.26 -1.22 113.70 110.00 2cui s SER 98 Ca 0.35 1.42 0.08 0.00 0.48 0.00 0.00 55.95 58.27 2cui s SER 98 Cb 0.08 2.07 -0.04 0.00 0.10 0.00 0.00 66.02 68.24 2cui s SER 98 CO 0.18 -0.22 0.07 -0.51 0.98 0.00 0.00 173.24 173.74 2cui s ILE 99 N 2.83 3.86 -0.15 -1.02 2.07 -0.60 -4.96 121.20 123.22 2cui s ILE 99 Ca -0.04 -1.66 0.01 0.00 -1.41 0.00 0.00 60.65 57.55 2cui s ILE 99 Cb -0.12 -3.06 0.00 0.00 0.13 0.00 0.00 42.46 39.41 2cui s ILE 99 CO -0.18 -0.33 -0.18 -1.10 -1.91 0.00 0.00 174.94 171.24 2cui s GLN 100 N -3.65 3.11 -0.18 3.50 1.11 -1.26 -1.90 119.66 120.39 2cui s GLN 100 Ca 0.32 -0.80 -0.00 0.00 0.01 0.00 0.00 55.36 54.88 2cui s GLN 100 Cb -0.07 -2.54 0.04 0.00 -1.01 0.00 0.00 33.01 29.43 2cui s GLN 100 CO 0.22 -0.02 -0.05 0.20 0.01 0.00 0.00 175.29 175.65 2cui s GLY 101 N 0.86 0.98 0.13 3.09 0.00 -0.81 -4.80 107.32 106.77 2cui s GLY 101 Ca -0.05 -0.89 -0.04 0.00 0.00 0.00 0.00 44.72 43.74 2cui s GLY 101 CO -0.02 0.97 0.35 -0.51 0.00 0.00 0.00 173.10 173.89 2cui s THR 102 N 1.62 5.20 -0.25 0.90 -4.23 -1.26 -2.38 115.64 115.24 2cui s THR 102 Ca -0.00 -0.05 -0.26 0.00 -1.18 0.00 0.00 61.69 60.21 2cui s THR 102 Cb -0.16 -3.63 0.08 0.00 1.34 0.00 0.00 72.50 70.13 2cui s THR 102 CO -0.08 0.05 0.76 0.00 -0.54 0.00 0.00 174.62 174.81 2cui s ALA 103 N -1.64 -1.81 -0.29 3.99 0.00 -1.22 -4.75 121.76 116.04 2cui s ALA 103 Ca 0.40 1.93 -0.06 0.00 0.00 0.00 0.00 51.96 54.23 2cui s ALA 103 Cb -0.12 -1.09 0.01 0.00 0.00 0.00 0.00 23.12 21.92 2cui s ALA 103 CO 0.25 -0.33 0.07 0.50 0.00 0.00 0.00 175.76 176.25 2cui s ARG 104 N 0.18 3.12 1.04 0.00 3.52 -1.26 -2.17 118.95 123.38 2cui s ARG 104 Ca -0.01 -0.83 -0.11 0.00 -0.13 0.00 0.00 55.73 54.65 2cui s ARG 104 Cb -0.04 -3.34 0.22 0.00 -1.56 0.00 0.00 34.95 30.22 2cui s ARG 104 CO 0.01 -0.42 1.09 0.95 -0.81 0.00 0.00 175.30 176.12 2cui s THR 105 N 1.50 2.00 0.49 4.11 -4.23 -0.90 -4.90 115.64 113.71 2cui s THR 105 Ca 0.03 0.00 -0.05 0.00 -1.18 0.00 0.00 61.69 60.49 2cui s THR 105 Cb -0.17 -2.00 -0.03 0.00 1.34 0.00 0.00 72.50 71.64 2cui s THR 105 CO 0.02 -0.00 0.79 -0.76 -0.54 0.00 0.00 174.62 174.12 2cui s LEU 106 N -6.96 3.60 -0.42 4.79 1.43 -1.01 -3.69 118.68 116.42 2cui s LEU 106 Ca 0.68 0.87 -0.07 0.00 -1.03 0.00 0.00 54.13 54.57 2cui s LEU 106 Cb -0.24 -3.80 0.10 0.00 0.03 0.00 0.00 46.19 42.27 2cui s LEU 106 CO 0.61 -0.62 0.25 -0.44 0.23 0.00 0.00 176.35 176.39 2cui s SER 107 N -4.13 5.51 0.00 2.29 0.01 -1.26 -2.29 113.70 113.84 2cui s SER 107 Ca 0.48 -1.74 0.00 0.00 1.31 0.00 0.00 55.95 55.99 2cui s SER 107 Cb -0.10 -1.94 0.00 0.00 0.21 0.00 0.00 66.02 64.19 2cui s SER 107 CO 0.44 -0.57 0.00 0.61 0.41 0.00 0.00 173.24 174.13 2cui n GLY 108 N 4.81 7.43 3.55 3.44 0.00 -1.26 -4.99 105.19 118.18 2cui n GLY 108 Ca -0.08 -1.95 -0.39 0.00 0.00 0.00 0.00 46.02 43.60 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 1.07 2.69 0.28 1.61 0.04 -1.26 -4.94 135.00 134.50 2cui s PRO 109 Ca 0.00 0.67 0.04 0.00 0.04 0.00 0.00 61.00 61.75 2cui s PRO 109 Cb 0.00 -4.37 -0.03 0.00 0.04 0.00 0.00 34.50 30.14 2cui s PRO 109 CO 0.00 -2.65 0.20 -1.12 0.04 0.00 0.00 177.00 173.48 2cui s SER 110 N 7.87 1.18 0.30 6.66 0.01 -1.26 -5.15 113.70 123.32 2cui s SER 110 Ca 0.68 -1.60 0.03 0.00 1.31 0.00 0.00 55.95 56.37 2cui s SER 110 Cb -0.13 0.47 -0.05 0.00 0.21 0.00 0.00 66.02 66.51 2cui s SER 110 CO 0.22 -0.95 0.09 -0.44 0.41 0.00 0.00 173.24 172.56 2cui s SER 111 N -3.31 1.87 0.00 2.44 0.01 -1.26 -5.21 113.70 108.24 2cui s SER 111 Ca 0.39 -1.42 0.30 0.00 1.31 0.00 0.00 55.95 56.53 2cui s SER 111 Cb 0.04 0.10 1.39 0.00 0.21 0.00 0.00 66.02 67.76 2cui s SER 111 CO 0.20 -0.70 1.94 0.61 0.41 0.00 0.00 173.24 175.70