#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 4.90 -1.17 1.61 0.01 -1.26 -4.99 113.70 112.79 2cui s SER 2 Ca 0.00 -0.42 -0.21 0.00 1.31 0.00 0.00 55.95 56.63 2cui s SER 2 Cb 0.00 -0.19 0.03 0.00 0.21 0.00 0.00 66.02 66.07 2cui s SER 2 CO 0.00 -1.44 1.71 -0.55 0.41 0.00 0.00 173.24 173.37 2cui s SER 3 N -4.61 6.31 0.00 2.44 0.15 -1.26 -4.70 113.70 112.03 2cui s SER 3 Ca 0.62 -1.91 0.00 0.00 0.70 0.00 0.00 55.95 55.36 2cui s SER 3 Cb -0.07 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.66 2cui s SER 3 CO 0.40 -1.71 0.00 0.61 1.20 0.00 0.00 173.24 173.74 2cui n GLY 4 N 5.99 2.11 3.30 9.45 0.00 -1.26 -5.18 105.19 119.60 2cui n GLY 4 Ca 0.43 0.13 -0.14 0.00 0.00 0.00 0.00 46.02 46.45 2cui n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cui s SER 5 N 2.00 -0.34 -0.08 1.61 1.04 -1.26 -5.16 113.70 111.51 2cui s SER 5 Ca 0.00 0.45 0.01 0.00 0.48 0.00 0.00 55.95 56.89 2cui s SER 5 Cb 0.00 0.55 -0.03 0.00 0.10 0.00 0.00 66.02 66.64 2cui s SER 5 CO 0.00 -0.35 -0.07 -0.94 0.98 0.00 0.00 173.24 172.86 2cui s SER 6 N -0.71 4.62 0.00 7.02 1.04 -1.26 -5.00 113.70 119.41 2cui s SER 6 Ca -0.08 -0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.31 2cui s SER 6 Cb -0.04 -1.22 0.00 0.00 0.10 0.00 0.00 66.02 64.86 2cui s SER 6 CO 0.04 0.34 0.00 0.61 0.98 0.00 0.00 173.24 175.21 2cui n GLY 7 N 2.36 -1.08 2.83 7.32 0.00 -1.26 -5.14 105.19 110.22 2cui n GLY 7 Ca -0.18 0.48 -0.30 0.00 0.00 0.00 0.00 46.02 46.01 2cui n GLY 7 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cui s SER 8 N 0.00 4.27 0.13 1.61 1.04 -1.26 -5.02 113.70 114.47 2cui s SER 8 Ca 0.00 -1.85 -0.33 0.00 0.48 0.00 0.00 55.95 54.25 2cui s SER 8 Cb 0.00 -1.13 -0.11 0.00 0.10 0.00 0.00 66.02 64.88 2cui s SER 8 CO 0.00 -0.40 1.54 0.03 0.98 0.00 0.00 173.24 175.39 2cui h ARG 9 N 7.88 -0.41 -6.26 4.02 2.47 -2.02 -3.38 114.38 116.68 2cui h ARG 9 Ca -0.10 0.03 -0.56 0.00 -1.26 0.00 0.00 59.98 58.09 2cui h ARG 9 Cb 1.01 0.09 -0.02 0.00 -1.65 0.00 0.00 29.97 29.40 2cui h ARG 9 CO 0.49 -0.28 1.09 -1.25 0.56 0.00 0.00 179.97 180.58 2cui s PRO 10 N -5.62 3.94 0.15 0.04 0.04 -1.26 -5.00 135.00 127.28 2cui s PRO 10 Ca -0.14 1.78 0.06 0.00 0.04 0.00 0.00 61.00 62.74 2cui s PRO 10 Cb 0.08 -3.99 -0.04 0.00 0.04 0.00 0.00 34.50 30.59 2cui s PRO 10 CO 0.61 -1.12 -0.14 1.03 0.04 0.00 0.00 177.00 177.42 2cui s ARG 11 N 4.38 1.12 0.65 4.56 1.81 -1.26 -4.94 118.95 125.27 2cui s ARG 11 Ca 0.70 -1.39 -0.11 0.00 -1.72 0.00 0.00 55.73 53.21 2cui s ARG 11 Cb -0.26 -0.92 -0.02 0.00 -0.45 0.00 0.00 34.95 33.29 2cui s ARG 11 CO 0.27 0.16 1.04 -0.51 -0.68 0.00 0.00 175.30 175.59 2cui s LEU 12 N -2.85 3.17 0.00 2.53 1.43 -1.26 -4.57 118.68 117.13 2cui s LEU 12 Ca 0.14 1.43 0.07 0.00 -1.03 0.00 0.00 54.13 54.74 2cui s LEU 12 Cb -0.02 -4.41 0.07 0.00 0.03 0.00 0.00 46.19 41.86 2cui s LEU 12 CO 0.04 -1.05 0.59 -0.24 0.23 0.00 0.00 176.35 175.92 2cui n SER 13 N -2.86 1.74 -4.59 2.29 2.88 -0.41 -4.99 113.62 107.68 2cui n SER 13 Ca 0.06 -2.24 -0.43 0.00 -1.33 0.00 0.00 58.87 54.93 2cui n SER 13 Cb 0.54 -0.29 -0.03 0.00 -0.75 0.00 0.00 64.21 63.68 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 -1.93 1.94 -2.71 -1.46 10.64 -1.26 -4.66 117.38 117.94 2cui n GLN 14 Ca 0.11 0.53 -0.42 0.00 -1.83 0.00 0.00 57.00 55.39 2cui n GLN 14 Cb 0.47 -3.21 -0.03 0.00 -0.86 0.00 0.00 30.24 26.61 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 8.27 3.78 0.33 2.61 2.96 -1.26 -4.68 118.68 130.69 2cui s LEU 15 Ca 1.01 -0.32 0.07 0.00 -0.22 0.00 0.00 54.13 54.67 2cui s LEU 15 Cb -0.36 -2.82 -0.03 0.00 0.50 0.00 0.00 46.19 43.48 2cui s LEU 15 CO 0.36 -1.44 0.29 -0.44 -1.32 0.00 0.00 176.35 173.79 2cui s SER 16 N 3.15 5.32 -0.22 3.68 0.01 -1.18 -4.60 113.70 119.86 2cui s SER 16 Ca 0.34 -0.47 -0.01 0.00 1.31 0.00 0.00 55.95 57.11 2cui s SER 16 Cb -0.11 -1.01 0.01 0.00 0.21 0.00 0.00 66.02 65.12 2cui s SER 16 CO 0.19 -0.32 -0.10 -0.69 0.41 0.00 0.00 173.24 172.72 2cui s VAL 17 N -2.29 2.76 0.15 3.43 1.01 -1.26 -2.39 120.40 121.81 2cui s VAL 17 Ca 0.40 -0.83 0.10 0.00 0.00 0.00 0.00 61.98 61.65 2cui s VAL 17 Cb -0.06 -2.28 -0.04 0.00 0.00 0.00 0.00 36.38 34.00 2cui s VAL 17 CO 0.26 0.38 -0.19 0.42 0.00 0.00 0.00 175.10 175.98 2cui s THR 18 N 1.36 2.71 -0.69 3.92 -4.23 0.30 -4.67 115.64 114.34 2cui s THR 18 Ca 0.04 -1.72 -0.01 0.00 -1.18 0.00 0.00 61.69 58.82 2cui s THR 18 Cb -0.15 -2.28 0.00 0.00 1.34 0.00 0.00 72.50 71.42 2cui s THR 18 CO -0.07 -0.01 0.12 -0.67 -0.54 0.00 0.00 174.62 173.45 2cui n ASP 19 N 0.49 -3.20 -4.46 3.99 2.03 -1.26 -1.47 116.55 112.67 2cui n ASP 19 Ca -0.14 -0.06 -0.44 0.00 0.52 0.00 0.00 54.79 54.67 2cui n ASP 19 Cb 0.54 -2.31 -0.11 0.00 -0.72 0.00 0.00 41.12 38.52 2cui n ASP 19 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 2cui n VAL 20 N -3.89 0.01 -2.52 5.18 0.31 -1.26 -4.34 118.33 111.82 2cui n VAL 20 Ca -0.08 -0.20 -0.27 0.00 -0.01 0.00 0.00 64.34 63.79 2cui n VAL 20 Cb 0.56 -1.13 0.01 0.00 -0.91 0.00 0.00 33.84 32.38 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 8.92 4.29 0.17 2.52 2.01 0.62 -4.65 115.64 129.53 2cui s THR 21 Ca 1.22 0.10 -0.17 0.00 0.31 0.00 0.00 61.69 63.15 2cui s THR 21 Cb -1.02 -3.66 0.11 0.00 0.01 0.00 0.00 72.50 67.94 2cui s THR 21 CO 0.47 -0.66 1.65 0.71 -0.69 0.00 0.00 174.62 176.11 2cui h THR 22 N 0.04 0.53 0.00 -0.82 1.35 -1.91 -2.99 112.91 109.11 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 0.53 0.00 0.00 -1.73 0.00 0.00 68.15 68.18 2cui h THR 22 CO 0.61 0.00 -0.06 -1.54 -0.25 0.00 0.00 175.52 174.28 2cui n SER 23 N -5.34 1.98 -2.95 5.36 3.41 -1.26 -3.56 113.62 111.25 2cui n SER 23 Ca 0.03 -2.78 -0.11 0.00 -0.26 0.00 0.00 58.87 55.74 2cui n SER 23 Cb 0.25 -0.34 0.00 0.00 -0.26 0.00 0.00 64.21 63.86 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 -2.36 0.43 0.15 4.04 1.04 -1.14 -0.56 113.70 115.30 2cui s SER 24 Ca 0.23 -1.33 -0.21 0.00 0.48 0.00 0.00 55.95 55.12 2cui s SER 24 Cb 0.21 0.79 0.07 0.00 0.10 0.00 0.00 66.02 67.19 2cui s SER 24 CO 0.02 -1.57 0.99 0.00 0.98 0.00 0.00 173.24 173.66 2cui n LEU 25 N -0.56 0.00 -4.12 2.42 -0.00 -1.19 0.23 117.00 113.78 2cui n LEU 25 Ca -0.05 -1.26 -0.18 0.00 -0.00 0.00 0.00 56.01 54.52 2cui n LEU 25 Cb 0.60 2.52 -0.13 0.00 -0.00 0.00 0.00 43.42 46.42 2cui n LEU 25 CO 0.29 -0.42 -0.45 -0.60 -0.00 0.00 0.00 177.39 176.21 2cui s ARG 26 N -2.04 0.80 0.27 1.47 3.52 -0.54 -3.41 118.95 119.01 2cui s ARG 26 Ca 0.22 -0.74 0.10 0.00 -0.13 0.00 0.00 55.73 55.18 2cui s ARG 26 Cb -0.02 -0.76 -0.05 0.00 -1.56 0.00 0.00 34.95 32.56 2cui s ARG 26 CO 0.04 0.18 -0.07 -0.51 -0.81 0.00 0.00 175.30 174.13 2cui s LEU 27 N -1.23 2.98 -0.25 -0.88 1.43 -0.08 -0.54 118.68 120.10 2cui s LEU 27 Ca -0.01 -0.77 -0.06 0.00 -1.03 0.00 0.00 54.13 52.27 2cui s LEU 27 Cb -0.08 -1.51 0.13 0.00 0.03 0.00 0.00 46.19 44.76 2cui s LEU 27 CO 0.01 0.02 0.50 0.20 0.23 0.00 0.00 176.35 177.31 2cui s ASN 28 N -3.57 -0.59 -0.01 2.29 0.01 -1.01 -3.77 114.94 108.29 2cui s ASN 28 Ca 0.31 0.95 0.04 0.00 -0.71 0.00 0.00 52.86 53.44 2cui s ASN 28 Cb -0.06 1.69 -0.01 0.00 0.41 0.00 0.00 41.25 43.28 2cui s ASN 28 CO 0.18 -0.25 -0.11 -1.66 -1.51 0.00 0.00 177.10 173.75 2cui s TRP 29 N 2.72 1.03 -0.12 2.20 -2.14 -1.22 -3.08 118.94 118.33 2cui s TRP 29 Ca 0.05 -0.20 -0.10 0.00 2.66 0.00 0.00 56.10 58.51 2cui s TRP 29 Cb -0.13 -0.66 -0.05 0.00 -3.10 0.00 0.00 33.47 29.53 2cui s TRP 29 CO -0.17 -0.02 0.22 -2.00 -2.66 0.00 0.00 176.95 172.33 2cui s GLU 30 N -0.29 3.81 -0.01 3.25 2.12 -1.26 -4.68 118.70 121.65 2cui s GLU 30 Ca 0.04 0.01 -0.08 0.00 0.36 0.00 0.00 54.97 55.30 2cui s GLU 30 Cb -0.04 -3.28 0.01 0.00 0.26 0.00 0.00 34.13 31.07 2cui s GLU 30 CO -0.00 0.58 0.17 0.00 -0.54 0.00 0.00 175.26 175.47 2cui s ALA 31 N -0.53 -0.41 0.88 6.30 0.00 -1.26 -1.29 121.76 125.44 2cui s ALA 31 Ca 0.16 -0.00 -0.11 0.00 0.00 0.00 0.00 51.96 52.00 2cui s ALA 31 Cb -0.13 0.07 0.12 0.00 0.00 0.00 0.00 23.12 23.18 2cui s ALA 31 CO 0.05 -0.21 1.09 -1.25 0.00 0.00 0.00 175.76 175.44 2cui s PRO 32 N -1.26 1.39 0.04 0.00 0.04 -1.26 -4.97 135.00 128.98 2cui s PRO 32 Ca -0.13 0.86 -0.31 0.00 0.04 0.00 0.00 61.00 61.47 2cui s PRO 32 Cb -0.07 -1.82 -0.06 0.00 0.04 0.00 0.00 34.50 32.59 2cui s PRO 32 CO 0.02 -2.16 1.41 -1.25 0.04 0.00 0.00 177.00 175.06 2cui s PRO 33 N -4.93 4.29 -0.65 0.56 0.04 -1.26 -2.94 135.00 130.12 2cui s PRO 33 Ca 0.63 2.03 -0.01 0.00 0.04 0.00 0.00 61.00 63.69 2cui s PRO 33 Cb -0.18 -3.47 0.00 0.00 0.04 0.00 0.00 34.50 30.90 2cui s PRO 33 CO 0.57 -0.54 0.09 0.41 0.04 0.00 0.00 177.00 177.57 2cui n GLY 34 N 3.62 0.11 0.11 0.56 0.00 -1.26 -4.95 105.19 103.37 2cui n GLY 34 Ca 0.13 -0.51 -0.19 0.00 0.00 0.00 0.00 46.02 45.45 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 0.38 -0.01 -2.57 4.61 0.00 -1.92 -3.48 119.26 116.27 2cui h ALA 35 Ca -0.19 -0.74 -0.10 0.00 0.00 0.00 0.00 54.91 53.87 2cui h ALA 35 Cb 1.14 0.17 -0.17 0.00 0.00 0.00 0.00 17.79 18.93 2cui h ALA 35 CO 0.22 0.38 -0.32 -0.06 0.00 0.00 0.00 179.25 179.47 2cui s PHE 36 N -2.39 -0.03 0.09 0.00 0.08 -1.26 -4.80 117.98 109.67 2cui s PHE 36 Ca -0.16 -0.13 -0.13 0.00 0.12 0.00 0.00 56.93 56.62 2cui s PHE 36 Cb 0.01 0.03 -0.18 0.00 -0.57 0.00 0.00 43.02 42.31 2cui s PHE 36 CO 0.78 -0.46 1.26 0.22 -0.10 0.00 0.00 175.22 176.93 2cui h ASP 37 N 3.40 0.93 -5.53 1.36 1.82 -0.98 -3.32 116.42 114.09 2cui h ASP 37 Ca -0.32 -0.66 -0.29 0.00 -0.39 0.00 0.00 57.03 55.37 2cui h ASP 37 Cb 1.19 -0.28 -0.08 0.00 0.68 0.00 0.00 39.33 40.85 2cui h ASP 37 CO 0.46 1.46 -0.18 -0.94 -1.61 0.00 0.00 179.24 178.43 2cui s SER 38 N -7.16 0.98 -0.09 2.28 1.04 -1.18 -2.38 113.70 107.18 2cui s SER 38 Ca -0.10 -1.51 -0.01 0.00 0.48 0.00 0.00 55.95 54.80 2cui s SER 38 Cb 0.08 0.67 0.03 0.00 0.10 0.00 0.00 66.02 66.90 2cui s SER 38 CO 0.91 -1.32 -0.02 -0.36 0.98 0.00 0.00 173.24 173.43 2cui s PHE 39 N -2.99 0.96 -0.42 5.02 0.08 0.46 -1.84 117.98 119.25 2cui s PHE 39 Ca 0.31 -0.40 -0.12 0.00 0.12 0.00 0.00 56.93 56.84 2cui s PHE 39 Cb -0.01 -0.96 0.06 0.00 -0.57 0.00 0.00 43.02 41.55 2cui s PHE 39 CO 0.21 -0.41 0.29 -1.17 -0.10 0.00 0.00 175.22 174.04 2cui s LEU 40 N 1.88 5.17 -0.24 -0.37 2.96 -0.36 -2.55 118.68 125.17 2cui s LEU 40 Ca 0.05 -1.27 -0.10 0.00 -0.22 0.00 0.00 54.13 52.59 2cui s LEU 40 Cb -0.13 -2.07 -0.05 0.00 0.50 0.00 0.00 46.19 44.45 2cui s LEU 40 CO -0.06 -0.52 0.16 -0.22 -1.32 0.00 0.00 176.35 174.38 2cui s LEU 41 N 1.54 4.08 -0.19 -0.68 2.96 -1.12 -0.67 118.68 124.59 2cui s LEU 41 Ca 0.03 0.09 -0.02 0.00 -0.22 0.00 0.00 54.13 54.01 2cui s LEU 41 Cb -0.22 -2.10 -0.00 0.00 0.50 0.00 0.00 46.19 44.37 2cui s LEU 41 CO 0.05 0.05 -0.11 -0.13 -1.32 0.00 0.00 176.35 174.90 2cui s ARG 42 N 1.13 3.25 -0.24 1.98 0.52 -0.22 -1.60 118.95 123.78 2cui s ARG 42 Ca 0.07 -0.70 -0.03 0.00 -0.52 0.00 0.00 55.73 54.56 2cui s ARG 42 Cb -0.14 -2.81 0.02 0.00 0.52 0.00 0.00 34.95 32.54 2cui s ARG 42 CO 0.05 -0.14 -0.05 -0.59 0.02 0.00 0.00 175.30 174.59 2cui s PHE 43 N 1.25 3.03 0.15 -0.53 -0.71 -1.24 -2.08 117.98 117.85 2cui s PHE 43 Ca 0.03 -1.35 0.08 0.00 -1.04 0.00 0.00 56.93 54.65 2cui s PHE 43 Cb -0.14 -2.08 -0.04 0.00 -1.21 0.00 0.00 43.02 39.55 2cui s PHE 43 CO -0.05 -0.67 -0.18 0.20 -1.34 0.00 0.00 175.22 173.18 2cui s GLY 44 N 1.38 1.34 -0.45 1.99 0.00 -1.13 -4.50 107.32 105.95 2cui s GLY 44 Ca 0.02 -1.44 -0.26 0.00 0.00 0.00 0.00 44.72 43.04 2cui s GLY 44 CO -0.04 -1.49 0.98 0.14 0.00 0.00 0.00 173.10 172.69 2cui s VAL 45 N -1.97 4.42 -0.36 1.40 1.01 -1.26 -3.15 120.40 120.49 2cui s VAL 45 Ca 0.14 0.93 -0.28 0.00 0.00 0.00 0.00 61.98 62.76 2cui s VAL 45 Cb -0.06 -4.47 -0.01 0.00 0.00 0.00 0.00 36.38 31.84 2cui s VAL 45 CO 0.06 -0.84 1.70 -2.16 0.00 0.00 0.00 175.10 173.86 2cui s PRO 46 N 3.90 3.38 0.08 2.72 0.04 -1.26 -4.99 135.00 138.86 2cui s PRO 46 Ca 0.40 1.28 -0.20 0.00 0.04 0.00 0.00 61.00 62.52 2cui s PRO 46 Cb -0.10 -4.16 -0.07 0.00 0.04 0.00 0.00 34.50 30.22 2cui s PRO 46 CO 0.27 -1.81 0.59 0.45 0.04 0.00 0.00 177.00 176.53 2cui s SER 47 N 5.60 7.09 0.75 6.66 0.15 -1.26 -5.07 113.70 127.62 2cui s SER 47 Ca 0.75 1.29 -0.11 0.00 0.70 0.00 0.00 55.95 58.57 2cui s SER 47 Cb -0.20 -2.37 0.05 0.00 -1.71 0.00 0.00 66.02 61.79 2cui s SER 47 CO 0.33 0.26 1.10 -2.16 1.20 0.00 0.00 173.24 173.97 2cui s PRO 48 N -1.07 2.36 0.06 5.44 0.04 -1.26 -4.98 135.00 135.59 2cui s PRO 48 Ca 0.30 1.22 0.22 0.00 0.04 0.00 0.00 61.00 62.77 2cui s PRO 48 Cb -0.20 -1.91 -0.19 0.00 0.04 0.00 0.00 34.50 32.25 2cui s PRO 48 CO 0.19 -1.57 0.73 0.43 0.04 0.00 0.00 177.00 176.83 2cui n SER 49 N -3.30 0.37 0.02 6.66 7.64 -1.26 -4.22 113.62 119.53 2cui n SER 49 Ca 0.09 0.08 -0.10 0.00 1.01 0.00 0.00 58.87 59.96 2cui n SER 49 Cb 0.53 1.33 -0.13 0.00 -1.01 0.00 0.00 64.21 64.93 2cui n SER 49 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 2cui h THR 50 N 0.00 1.18 -2.56 0.44 1.35 -2.05 -3.46 112.91 107.80 2cui h THR 50 Ca 0.00 -2.95 -0.54 0.00 -0.55 0.00 0.00 66.41 62.37 2cui h THR 50 Cb 0.97 2.62 -0.04 0.00 -1.73 0.00 0.00 68.15 69.98 2cui h THR 50 CO 0.00 0.72 -0.49 -0.22 -0.25 0.00 0.00 175.52 175.28 2cui s LEU 51 N -6.47 4.20 0.30 3.87 2.96 -1.26 -5.09 118.68 117.18 2cui s LEU 51 Ca -0.04 0.08 -0.27 0.00 -0.22 0.00 0.00 54.13 53.68 2cui s LEU 51 Cb 0.08 -2.77 -0.09 0.00 0.50 0.00 0.00 46.19 43.91 2cui s LEU 51 CO 0.83 0.05 0.97 -1.83 -1.32 0.00 0.00 176.35 175.05 2cui s GLU 52 N -3.26 4.63 0.69 1.98 -1.05 -1.26 -4.68 118.70 115.74 2cui s GLU 52 Ca 0.34 1.46 -0.14 0.00 -0.15 0.00 0.00 54.97 56.48 2cui s GLU 52 Cb -0.11 -2.97 0.01 0.00 -0.44 0.00 0.00 34.13 30.63 2cui s GLU 52 CO 0.27 0.30 1.11 -1.25 0.95 0.00 0.00 175.26 176.63 2cui s PRO 53 N -1.75 2.66 0.20 -4.83 0.04 -1.26 -4.99 135.00 125.07 2cui s PRO 53 Ca 0.47 1.33 -0.30 0.00 0.04 0.00 0.00 61.00 62.55 2cui s PRO 53 Cb -0.23 -1.94 -0.08 0.00 0.04 0.00 0.00 34.50 32.29 2cui s PRO 53 CO 0.29 -1.35 1.20 -3.38 0.04 0.00 0.00 177.00 173.80 2cui s HIS 54 N -2.48 3.41 -1.11 0.56 -3.43 -1.26 -4.91 115.29 106.06 2cui s HIS 54 Ca 0.65 1.44 0.14 0.00 -0.80 0.00 0.00 55.06 56.50 2cui s HIS 54 Cb -0.20 -3.44 0.64 0.00 -1.43 0.00 0.00 32.58 28.16 2cui s HIS 54 CO 0.45 -1.22 1.44 -0.35 -2.00 0.00 0.00 174.74 173.07 2cui n PRO 55 N 2.28 0.06 -3.16 -0.38 -0.04 -1.26 -4.73 135.00 127.76 2cui n PRO 55 Ca 0.04 0.23 -0.38 0.00 -0.04 0.00 0.00 63.50 63.34 2cui n PRO 55 Cb 0.44 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.34 2cui n PRO 55 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 2cui s ARG 56 N -2.89 4.32 0.25 0.54 1.70 -1.26 -5.04 118.95 116.57 2cui s ARG 56 Ca 0.09 0.89 -0.30 0.00 -0.47 0.00 0.00 55.73 55.94 2cui s ARG 56 Cb 0.09 -3.20 -0.09 0.00 -0.57 0.00 0.00 34.95 31.19 2cui s ARG 56 CO 0.25 0.59 1.27 -1.25 -1.08 0.00 0.00 175.30 175.08 2cui s PRO 57 N -1.25 4.42 -0.31 3.89 0.04 -1.26 -5.02 135.00 135.52 2cui s PRO 57 Ca 0.33 2.05 -0.05 0.00 0.04 0.00 0.00 61.00 63.37 2cui s PRO 57 Cb -0.20 -3.16 0.03 0.00 0.04 0.00 0.00 34.50 31.21 2cui s PRO 57 CO 0.22 -0.15 0.05 -0.48 0.04 0.00 0.00 177.00 176.67 2cui s LEU 58 N -0.77 3.94 -0.18 -3.56 2.34 -1.26 -5.08 118.68 114.12 2cui s LEU 58 Ca 0.52 -1.04 -0.29 0.00 0.06 0.00 0.00 54.13 53.39 2cui s LEU 58 Cb -0.36 -1.80 -0.00 0.00 -0.56 0.00 0.00 46.19 43.46 2cui s LEU 58 CO 0.42 -0.25 1.11 -0.22 -1.06 0.00 0.00 176.35 176.35 2cui s LEU 59 N 1.37 4.16 0.18 1.48 0.20 -1.26 -5.03 118.68 119.78 2cui s LEU 59 Ca -0.01 1.52 -0.04 0.00 0.69 0.00 0.00 54.13 56.29 2cui s LEU 59 Cb -0.19 -3.54 -0.05 0.00 -0.43 0.00 0.00 46.19 41.98 2cui s LEU 59 CO 0.01 -0.65 0.41 -1.58 -0.29 0.00 0.00 176.35 174.24 2cui s GLN 60 N 3.01 3.60 0.09 1.98 0.74 -1.26 -5.09 119.66 122.73 2cui s GLN 60 Ca 0.48 -0.12 -0.12 0.00 0.05 0.00 0.00 55.36 55.65 2cui s GLN 60 Cb -0.18 -2.82 0.01 0.00 1.10 0.00 0.00 33.01 31.13 2cui s GLN 60 CO 0.11 0.42 0.28 0.50 -0.55 0.00 0.00 175.29 176.05 2cui s ARG 61 N -2.92 0.90 0.14 1.67 3.52 -1.26 -5.12 118.95 115.89 2cui s ARG 61 Ca 0.41 -0.78 0.03 0.00 -0.13 0.00 0.00 55.73 55.25 2cui s ARG 61 Cb -0.12 0.38 -0.04 0.00 -1.56 0.00 0.00 34.95 33.61 2cui s ARG 61 CO 0.26 -0.31 -0.06 -1.83 -0.81 0.00 0.00 175.30 172.55 2cui s GLU 62 N -3.56 1.01 0.11 5.12 -1.05 -1.26 -3.61 118.70 115.46 2cui s GLU 62 Ca 0.02 -1.44 0.04 0.00 -0.15 0.00 0.00 54.97 53.43 2cui s GLU 62 Cb 0.03 -0.41 -0.04 0.00 -0.44 0.00 0.00 34.13 33.27 2cui s GLU 62 CO -0.10 -0.01 0.10 -1.17 0.95 0.00 0.00 175.26 175.04 2cui s LEU 63 N -3.14 3.81 -0.24 1.83 2.96 -0.62 -4.93 118.68 118.35 2cui s LEU 63 Ca 0.17 -0.05 0.02 0.00 -0.22 0.00 0.00 54.13 54.06 2cui s LEU 63 Cb 0.04 -2.47 0.05 0.00 0.50 0.00 0.00 46.19 44.32 2cui s LEU 63 CO -0.00 0.14 -0.11 -0.32 -1.32 0.00 0.00 176.35 174.74 2cui s MET 64 N -2.64 2.18 -0.01 1.98 -2.45 -1.26 -2.78 119.30 114.31 2cui s MET 64 Ca 0.30 -1.18 0.02 0.00 -1.25 0.00 0.00 55.69 53.57 2cui s MET 64 Cb -0.11 -2.76 0.00 0.00 1.25 0.00 0.00 34.83 33.21 2cui s MET 64 CO 0.23 -0.53 -0.06 0.08 1.05 0.00 0.00 175.02 175.79 2cui s VAL 65 N 1.20 0.51 0.50 10.11 1.01 -1.06 -4.96 120.40 127.72 2cui s VAL 65 Ca -0.06 -0.23 -0.21 0.00 0.00 0.00 0.00 61.98 61.48 2cui s VAL 65 Cb -0.19 -0.46 -0.07 0.00 0.00 0.00 0.00 36.38 35.67 2cui s VAL 65 CO -0.06 0.16 1.15 -2.16 0.00 0.00 0.00 175.10 174.19 2cui s PRO 66 N 0.14 3.55 0.29 2.72 0.04 -1.26 0.17 135.00 140.65 2cui s PRO 66 Ca -0.01 1.69 0.01 0.00 0.04 0.00 0.00 61.00 62.73 2cui s PRO 66 Cb -0.06 -2.19 0.72 0.00 0.04 0.00 0.00 34.50 33.01 2cui s PRO 66 CO -0.00 -0.71 1.61 0.78 0.04 0.00 0.00 177.00 178.72 2cui h GLY 67 N 1.60 1.28 0.37 0.56 0.00 -1.58 0.79 103.07 106.09 2cui h GLY 67 Ca -0.50 0.06 0.20 0.00 0.00 0.00 0.00 47.33 47.10 2cui h GLY 67 CO 0.58 -0.44 0.58 0.00 0.00 0.00 0.00 176.54 177.26 2cui h THR 68 N 0.10 0.68 -3.52 4.70 1.03 -1.87 -3.38 112.91 110.65 2cui h THR 68 Ca 0.57 -0.11 -0.63 0.00 -0.01 0.00 0.00 66.41 66.22 2cui h THR 68 Cb 1.16 0.32 -0.19 0.00 -1.07 0.00 0.00 68.15 68.36 2cui h THR 68 CO -0.77 0.06 -0.59 -0.13 -0.01 0.00 0.00 175.52 174.08 2cui s ARG 69 N -5.35 3.82 -0.69 0.00 0.52 0.27 -5.03 118.95 112.51 2cui s ARG 69 Ca -0.08 -0.41 0.05 0.00 -0.52 0.00 0.00 55.73 54.77 2cui s ARG 69 Cb 0.22 -3.30 0.28 0.00 0.52 0.00 0.00 34.95 32.67 2cui s ARG 69 CO 0.78 0.02 0.91 0.72 0.02 0.00 0.00 175.30 177.74 2cui n HIS 70 N 4.31 3.58 -3.98 -0.53 8.25 -1.26 -4.30 115.22 121.29 2cui n HIS 70 Ca -0.16 -3.91 -0.09 0.00 -0.26 0.00 0.00 57.72 53.30 2cui n HIS 70 Cb 0.52 -0.64 -0.10 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 -2.60 0.26 -0.28 0.41 1.04 -1.26 -3.38 113.70 107.89 2cui s SER 71 Ca 0.41 -0.61 -0.11 0.00 0.48 0.00 0.00 55.95 56.12 2cui s SER 71 Cb 0.17 0.18 0.11 0.00 0.10 0.00 0.00 66.02 66.58 2cui s SER 71 CO -0.03 -0.46 0.63 0.00 0.98 0.00 0.00 173.24 174.36 2cui s ALA 72 N -2.48 -1.90 -0.15 5.32 0.00 -1.25 -4.87 121.76 116.44 2cui s ALA 72 Ca -0.06 2.26 0.02 0.00 0.00 0.00 0.00 51.96 54.18 2cui s ALA 72 Cb -0.02 -1.64 0.01 0.00 0.00 0.00 0.00 23.12 21.47 2cui s ALA 72 CO -0.04 -0.78 -0.20 0.08 0.00 0.00 0.00 175.76 174.82 2cui s VAL 73 N 2.57 1.94 -0.12 0.00 1.01 -1.26 -0.91 120.40 123.63 2cui s VAL 73 Ca -0.07 -0.89 -0.05 0.00 0.00 0.00 0.00 61.98 60.97 2cui s VAL 73 Cb -0.10 -1.74 -0.04 0.00 0.00 0.00 0.00 36.38 34.50 2cui s VAL 73 CO -0.18 0.52 0.07 -0.76 0.00 0.00 0.00 175.10 174.75 2cui s LEU 74 N 1.01 3.96 0.47 3.92 2.01 -1.22 -4.98 118.68 123.85 2cui s LEU 74 Ca -0.03 0.26 0.03 0.00 0.01 0.00 0.00 54.13 54.40 2cui s LEU 74 Cb -0.15 -1.95 -0.03 0.00 0.01 0.00 0.00 46.19 44.07 2cui s LEU 74 CO -0.05 0.35 0.01 -0.13 1.01 0.00 0.00 176.35 177.53 2cui s ARG 75 N -0.67 2.10 -1.75 1.70 0.52 -1.26 -3.19 118.95 116.40 2cui s ARG 75 Ca 0.12 -2.30 -0.00 0.00 -0.52 0.00 0.00 55.73 53.03 2cui s ARG 75 Cb -0.12 -1.52 0.00 0.00 0.52 0.00 0.00 34.95 33.84 2cui s ARG 75 CO 0.02 -0.27 0.02 -0.25 0.02 0.00 0.00 175.30 174.85 2cui n ASP 76 N -1.17 -5.86 -4.91 0.23 8.00 -1.21 -4.97 116.55 106.68 2cui n ASP 76 Ca -0.14 -0.02 -0.28 0.00 0.71 0.00 0.00 54.79 55.06 2cui n ASP 76 Cb 0.67 -4.87 0.05 0.00 -0.02 0.00 0.00 41.12 36.94 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 -6.05 3.00 0.47 0.64 1.43 0.27 -5.07 118.68 113.38 2cui s LEU 77 Ca 0.01 0.82 -0.12 0.00 -1.03 0.00 0.00 54.13 53.81 2cui s LEU 77 Cb -0.00 -3.58 -0.06 0.00 0.03 0.00 0.00 46.19 42.57 2cui s LEU 77 CO 0.01 -1.30 0.87 -0.60 0.23 0.00 0.00 176.35 175.56 2cui s ARG 78 N -5.20 3.79 0.25 1.70 6.06 -1.26 -4.60 118.95 119.69 2cui s ARG 78 Ca 0.57 0.64 -0.29 0.00 -2.50 0.00 0.00 55.73 54.14 2cui s ARG 78 Cb -0.11 -2.27 -0.09 0.00 0.06 0.00 0.00 34.95 32.54 2cui s ARG 78 CO 0.48 -0.19 0.94 -1.12 -2.50 0.00 0.00 175.30 172.91 2cui s SER 79 N -3.33 7.59 -1.48 -2.12 0.01 -1.26 -3.97 113.70 109.15 2cui s SER 79 Ca 0.54 1.94 -0.07 0.00 1.31 0.00 0.00 55.95 59.67 2cui s SER 79 Cb -0.10 -2.61 0.01 0.00 0.21 0.00 0.00 66.02 63.53 2cui s SER 79 CO 0.35 0.12 0.16 0.61 0.41 0.00 0.00 173.24 174.89 2cui n GLY 80 N 1.34 -0.27 3.24 3.44 0.00 -0.83 -4.85 105.19 107.27 2cui n GLY 80 Ca -0.01 0.21 -0.17 0.00 0.00 0.00 0.00 46.02 46.05 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 -4.20 1.29 -0.14 2.61 2.01 -1.25 -4.91 115.64 111.04 2cui s THR 81 Ca 0.10 -1.79 -0.13 0.00 0.31 0.00 0.00 61.69 60.18 2cui s THR 81 Cb -0.05 -1.59 -0.05 0.00 0.01 0.00 0.00 72.50 70.82 2cui s THR 81 CO 0.99 -0.49 0.28 -0.22 -0.69 0.00 0.00 174.62 174.49 2cui s LEU 82 N -2.61 4.28 0.06 4.42 1.98 -1.26 -1.84 118.68 123.71 2cui s LEU 82 Ca 0.10 0.54 0.09 0.00 -2.89 0.00 0.00 54.13 51.98 2cui s LEU 82 Cb -0.03 -2.36 -0.03 0.00 0.66 0.00 0.00 46.19 44.43 2cui s LEU 82 CO 0.03 0.16 -0.25 -0.31 -1.89 0.00 0.00 176.35 174.08 2cui s TYR 83 N 0.15 2.22 -0.40 5.38 1.51 -1.02 -4.64 117.35 120.55 2cui s TYR 83 Ca 0.17 -0.40 -0.12 0.00 -1.01 0.00 0.00 57.07 55.71 2cui s TYR 83 Cb -0.13 -1.31 0.04 0.00 -0.11 0.00 0.00 41.96 40.45 2cui s TYR 83 CO 0.05 0.15 0.25 0.45 -1.11 0.00 0.00 175.55 175.34 2cui s SER 84 N -1.37 5.82 0.11 2.29 0.15 -1.19 -3.35 113.70 116.16 2cui s SER 84 Ca 0.11 -1.10 -0.05 0.00 0.70 0.00 0.00 55.95 55.61 2cui s SER 84 Cb -0.10 -2.06 -0.05 0.00 -1.71 0.00 0.00 66.02 62.10 2cui s SER 84 CO 0.03 -0.45 0.36 -0.76 1.20 0.00 0.00 173.24 173.62 2cui s LEU 85 N 1.56 4.29 -0.26 3.45 1.43 -0.94 -2.83 118.68 125.39 2cui s LEU 85 Ca 0.03 0.60 -0.01 0.00 -1.03 0.00 0.00 54.13 53.71 2cui s LEU 85 Cb -0.20 -3.18 0.14 0.00 0.03 0.00 0.00 46.19 42.98 2cui s LEU 85 CO 0.06 0.10 0.35 -0.89 0.23 0.00 0.00 176.35 176.20 2cui s THR 86 N -1.58 -0.54 0.28 5.49 2.01 -0.88 -2.09 115.64 118.34 2cui s THR 86 Ca 0.38 -0.22 -0.13 0.00 0.31 0.00 0.00 61.69 62.03 2cui s THR 86 Cb -0.13 -0.88 -0.08 0.00 0.01 0.00 0.00 72.50 71.42 2cui s THR 86 CO 0.23 -0.25 0.65 -0.22 -0.69 0.00 0.00 174.62 174.34 2cui s LEU 87 N 2.48 4.11 -0.06 4.42 2.96 -0.78 -1.05 118.68 130.77 2cui s LEU 87 Ca 0.11 1.12 0.02 0.00 -0.22 0.00 0.00 54.13 55.16 2cui s LEU 87 Cb -0.14 -3.89 0.02 0.00 0.50 0.00 0.00 46.19 42.67 2cui s LEU 87 CO -0.23 -0.14 -0.10 -0.31 -1.32 0.00 0.00 176.35 174.25 2cui s TYR 88 N -1.90 1.21 -1.12 5.38 2.02 0.15 -1.49 117.35 121.61 2cui s TYR 88 Ca 0.51 -0.42 -0.15 0.00 -0.37 0.00 0.00 57.07 56.64 2cui s TYR 88 Cb -0.11 -0.92 0.16 0.00 -0.40 0.00 0.00 41.96 40.69 2cui s TYR 88 CO 0.19 -0.24 1.32 0.20 -1.57 0.00 0.00 175.55 175.46 2cui s GLY 89 N 0.70 2.29 -0.31 0.71 0.00 0.65 -1.23 107.32 110.15 2cui s GLY 89 Ca -0.13 -3.20 -0.30 0.00 0.00 0.00 0.00 44.72 41.09 2cui s GLY 89 CO 0.03 2.01 2.25 1.04 0.00 0.00 0.00 173.10 178.42 2cui n LEU 90 N 5.81 2.73 -1.83 0.66 7.99 -0.76 -2.19 117.00 129.41 2cui n LEU 90 Ca 0.32 0.17 -0.01 0.00 -0.01 0.00 0.00 56.01 56.48 2cui n LEU 90 Cb 0.45 -1.46 0.30 0.00 -0.11 0.00 0.00 43.42 42.60 2cui n LEU 90 CO 0.58 -0.81 0.91 -1.14 -1.51 0.00 0.00 177.39 175.41 2cui n ARG 91 N 8.62 3.79 0.00 3.23 3.00 -1.22 -0.29 116.66 133.79 2cui n ARG 91 Ca 0.35 -2.73 0.00 0.00 -0.00 0.00 0.00 57.85 55.47 2cui n ARG 91 Cb 0.38 -2.14 0.00 0.00 0.00 0.00 0.00 32.46 30.71 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 0.13 0.83 0.09 5.14 0.00 -1.26 -4.86 105.19 105.26 2cui n GLY 92 Ca 0.32 -0.54 -0.13 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.10 -5.71 1.61 0.13 -2.01 -3.46 132.00 122.46 2cui h PRO 93 Ca 0.00 0.01 -0.48 0.00 -0.87 0.00 0.00 66.00 64.66 2cui h PRO 93 Cb 0.00 0.02 -0.15 0.00 0.13 0.00 0.00 31.00 31.00 2cui h PRO 93 CO 0.00 0.35 -0.75 -1.01 -0.23 0.00 0.00 178.00 176.36 2cui s HIS 94 N -4.19 1.77 0.43 1.56 3.76 -1.26 -5.12 115.29 112.24 2cui s HIS 94 Ca -0.15 -0.52 -0.26 0.00 -0.15 0.00 0.00 55.06 53.98 2cui s HIS 94 Cb 0.02 -0.84 -0.09 0.00 1.11 0.00 0.00 32.58 32.78 2cui s HIS 94 CO 0.62 0.37 1.40 -1.59 -0.85 0.00 0.00 174.74 174.69 2cui s LYS 95 N -3.35 3.83 -0.22 1.40 -2.85 -1.26 -3.45 119.74 113.84 2cui s LYS 95 Ca 0.20 2.38 -0.14 0.00 -1.00 0.00 0.00 55.97 57.42 2cui s LYS 95 Cb -0.03 -2.74 -0.09 0.00 -2.06 0.00 0.00 37.83 32.92 2cui s LYS 95 CO 0.07 -0.69 -0.32 0.00 0.10 0.00 0.00 175.35 174.52 2cui n ALA 96 N -0.00 1.31 -2.55 0.59 0.00 -0.93 -4.86 120.51 114.08 2cui n ALA 96 Ca 0.04 -0.91 -0.26 0.00 0.00 0.00 0.00 53.44 52.31 2cui n ALA 96 Cb 0.42 0.14 -0.10 0.00 0.00 0.00 0.00 19.45 19.91 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 -6.85 3.94 -0.19 0.00 1.01 -1.25 -4.96 116.67 108.36 2cui s ASP 97 Ca -0.32 -1.17 -0.24 0.00 0.71 0.00 0.00 52.55 51.53 2cui s ASP 97 Cb 0.10 -0.42 0.06 0.00 1.01 0.00 0.00 42.92 43.68 2cui s ASP 97 CO 0.42 -0.29 0.65 -0.94 0.21 0.00 0.00 175.17 175.22 2cui s SER 98 N -3.68 -0.66 0.22 0.27 1.04 -1.26 -0.25 113.70 109.38 2cui s SER 98 Ca 0.34 1.14 0.09 0.00 0.48 0.00 0.00 55.95 58.00 2cui s SER 98 Cb 0.03 1.12 -0.05 0.00 0.10 0.00 0.00 66.02 67.23 2cui s SER 98 CO 0.18 -0.32 -0.16 -0.51 0.98 0.00 0.00 173.24 173.41 2cui s ILE 99 N -0.06 1.93 -0.14 -1.02 2.07 -0.56 -4.97 121.20 118.46 2cui s ILE 99 Ca -0.03 -2.26 0.02 0.00 -1.41 0.00 0.00 60.65 56.97 2cui s ILE 99 Cb -0.04 -2.11 0.00 0.00 0.13 0.00 0.00 42.46 40.45 2cui s ILE 99 CO 0.03 -0.54 -0.19 -1.10 -1.91 0.00 0.00 174.94 171.23 2cui s GLN 100 N -3.59 3.13 -0.16 3.50 1.11 -1.26 -1.86 119.66 120.53 2cui s GLN 100 Ca 0.24 -0.81 -0.02 0.00 0.01 0.00 0.00 55.36 54.79 2cui s GLN 100 Cb -0.02 -2.50 0.05 0.00 -1.01 0.00 0.00 33.01 29.53 2cui s GLN 100 CO 0.09 0.05 0.00 0.20 0.01 0.00 0.00 175.29 175.64 2cui s GLY 101 N 0.70 0.72 0.06 3.09 0.00 -0.89 -4.79 107.32 106.23 2cui s GLY 101 Ca -0.09 -0.61 -0.07 0.00 0.00 0.00 0.00 44.72 43.96 2cui s GLY 101 CO 0.01 1.23 0.32 -0.51 0.00 0.00 0.00 173.10 174.16 2cui s THR 102 N 1.82 5.22 -0.16 0.90 -4.23 -1.26 -2.21 115.64 115.72 2cui s THR 102 Ca 0.01 0.18 -0.21 0.00 -1.18 0.00 0.00 61.69 60.49 2cui s THR 102 Cb -0.16 -3.60 0.05 0.00 1.34 0.00 0.00 72.50 70.13 2cui s THR 102 CO -0.07 0.26 0.55 0.00 -0.54 0.00 0.00 174.62 174.81 2cui s ALA 103 N -1.42 -1.37 -0.24 3.99 0.00 -1.21 -4.78 121.76 116.72 2cui s ALA 103 Ca 0.32 1.39 -0.05 0.00 0.00 0.00 0.00 51.96 53.62 2cui s ALA 103 Cb -0.13 -0.66 -0.01 0.00 0.00 0.00 0.00 23.12 22.32 2cui s ALA 103 CO 0.19 -0.28 0.01 0.50 0.00 0.00 0.00 175.76 176.19 2cui s ARG 104 N -0.12 3.44 1.27 0.00 3.52 -1.26 -2.45 118.95 123.34 2cui s ARG 104 Ca -0.03 -0.60 -0.19 0.00 -0.13 0.00 0.00 55.73 54.78 2cui s ARG 104 Cb -0.03 -3.17 0.31 0.00 -1.56 0.00 0.00 34.95 30.49 2cui s ARG 104 CO 0.03 -0.23 1.02 0.95 -0.81 0.00 0.00 175.30 176.26 2cui s THR 105 N 1.53 1.57 0.06 4.11 -4.23 -0.76 -4.91 115.64 113.00 2cui s THR 105 Ca 0.06 0.00 -0.01 0.00 -1.18 0.00 0.00 61.69 60.56 2cui s THR 105 Cb -0.15 -2.24 -0.04 0.00 1.34 0.00 0.00 72.50 71.41 2cui s THR 105 CO -0.00 0.00 0.23 -0.76 -0.54 0.00 0.00 174.62 173.55 2cui s LEU 106 N -7.32 4.35 0.14 4.79 1.43 -1.17 -3.97 118.68 116.92 2cui s LEU 106 Ca 0.69 0.31 -0.05 0.00 -1.03 0.00 0.00 54.13 54.05 2cui s LEU 106 Cb -0.15 -2.97 -0.05 0.00 0.03 0.00 0.00 46.19 43.05 2cui s LEU 106 CO 0.59 0.17 1.35 -1.28 0.23 0.00 0.00 176.35 177.40 2cui h SER 107 N 3.12 0.59 -5.00 2.29 0.87 -1.88 -2.21 113.55 111.33 2cui h SER 107 Ca -0.45 -0.43 0.00 0.00 -1.23 0.00 0.00 61.79 59.68 2cui h SER 107 Cb 1.16 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.95 2cui h SER 107 CO 0.75 1.21 0.00 0.61 -0.53 0.00 0.00 176.83 178.87 2cui n GLY 108 N 0.78 1.62 0.26 5.77 0.00 -1.26 -4.69 105.19 107.67 2cui n GLY 108 Ca -0.06 -2.15 0.17 0.00 0.00 0.00 0.00 46.02 43.98 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 -0.29 1.61 0.13 -2.04 -3.29 132.00 128.13 2cui h PRO 109 Ca 0.00 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 65.17 2cui h PRO 109 Cb 0.00 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.06 2cui h PRO 109 CO 0.00 0.00 -0.48 1.03 -0.23 0.00 0.00 178.00 178.32 2cui h SER 110 N 0.00 -1.57 -2.25 1.44 0.87 -2.03 -3.41 113.55 106.60 2cui h SER 110 Ca 0.00 0.20 -0.38 0.00 -1.23 0.00 0.00 61.79 60.39 2cui h SER 110 Cb 0.47 0.64 0.20 0.00 -0.44 0.00 0.00 62.40 63.27 2cui h SER 110 CO 0.00 -0.36 -0.76 -0.24 -0.53 0.00 0.00 176.83 174.93 2cui n SER 111 N -5.00 -2.71 0.00 6.23 2.88 -1.24 -5.26 113.62 108.53 2cui n SER 111 Ca -0.04 -0.28 0.00 0.00 -1.33 0.00 0.00 58.87 57.23 2cui n SER 111 Cb 0.30 -0.90 0.00 0.00 -0.75 0.00 0.00 64.21 62.86 2cui n SER 111 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42