#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wis s SER 2 N 0.00 -0.63 -0.30 1.61 0.01 -1.26 -5.15 113.70 107.98 1wis s SER 2 Ca 0.00 1.14 -0.07 0.00 1.31 0.00 0.00 55.95 58.32 1wis s SER 2 Cb 0.00 1.19 0.16 0.00 0.21 0.00 0.00 66.02 67.57 1wis s SER 2 CO 0.00 -0.19 0.68 -0.55 0.41 0.00 0.00 173.24 173.59 1wis s SER 3 N 0.68 -1.15 0.00 2.44 0.15 -1.26 -5.15 113.70 109.41 1wis s SER 3 Ca -0.02 1.21 0.00 0.00 0.70 0.00 0.00 55.95 57.84 1wis s SER 3 Cb -0.05 2.16 0.00 0.00 -1.71 0.00 0.00 66.02 66.42 1wis s SER 3 CO -0.08 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.75 1wis n GLY 4 N 5.40 1.52 2.59 9.45 0.00 -1.26 -5.11 105.19 117.78 1wis n GLY 4 Ca -0.08 -0.39 -0.28 0.00 0.00 0.00 0.00 46.02 45.28 1wis n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wis s SER 5 N -0.29 3.02 -0.22 1.61 0.01 -1.26 -5.11 113.70 111.45 1wis s SER 5 Ca 0.00 -0.99 -0.36 0.00 1.31 0.00 0.00 55.95 55.91 1wis s SER 5 Cb 0.00 -0.35 0.15 0.00 0.21 0.00 0.00 66.02 66.03 1wis s SER 5 CO 0.00 -0.39 1.28 -0.94 0.41 0.00 0.00 173.24 173.60 1wis s SER 6 N 2.08 -0.09 0.00 2.44 1.04 -1.26 -5.14 113.70 112.77 1wis s SER 6 Ca 0.05 -0.00 0.00 0.00 0.48 0.00 0.00 55.95 56.48 1wis s SER 6 Cb -0.16 0.09 0.00 0.00 0.10 0.00 0.00 66.02 66.05 1wis s SER 6 CO -0.23 -0.15 0.00 0.61 0.98 0.00 0.00 173.24 174.45 1wis n GLY 7 N -0.08 0.94 3.37 7.32 0.00 -1.26 -4.99 105.19 110.50 1wis n GLY 7 Ca 0.02 -1.51 -0.30 0.00 0.00 0.00 0.00 46.02 44.23 1wis n GLY 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1wis s THR 8 N 0.00 1.39 0.10 2.61 -4.23 -1.26 -5.00 115.64 109.24 1wis s THR 8 Ca 0.00 0.00 -0.11 0.00 -1.18 0.00 0.00 61.69 60.40 1wis s THR 8 Cb 0.00 -2.13 -0.06 0.00 1.34 0.00 0.00 72.50 71.64 1wis s THR 8 CO 0.00 0.00 0.43 -0.51 -0.54 0.00 0.00 174.62 174.00 1wis s ILE 9 N -2.41 5.04 -0.01 2.99 2.07 -1.26 -5.01 121.20 122.61 1wis s ILE 9 Ca 0.69 0.52 -0.06 0.00 -1.41 0.00 0.00 60.65 60.39 1wis s ILE 9 Cb -0.15 -3.66 -0.02 0.00 0.13 0.00 0.00 42.46 38.76 1wis s ILE 9 CO 0.59 0.27 -0.11 -0.24 -1.91 0.00 0.00 174.94 173.54 1wis n SER 10 N 0.86 1.11 0.00 4.50 2.88 -1.26 -5.00 113.62 116.71 1wis n SER 10 Ca -0.07 0.17 0.00 0.00 -1.33 0.00 0.00 58.87 57.63 1wis n SER 10 Cb 0.52 -0.43 0.00 0.00 -0.75 0.00 0.00 64.21 63.55 1wis n SER 10 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wis n SER 11 N -3.56 0.00 -4.68 -3.46 7.64 -1.26 -4.86 113.62 103.44 1wis n SER 11 Ca -0.04 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.42 1wis n SER 11 Cb 0.16 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.33 1wis n SER 11 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wis s GLY 12 N 0.00 1.41 0.22 0.23 0.00 -1.26 -4.93 107.32 102.99 1wis s GLY 12 Ca 0.00 1.36 -0.30 0.00 0.00 0.00 0.00 44.72 45.78 1wis s GLY 12 CO 0.00 3.21 1.42 0.54 0.00 0.00 0.00 173.10 178.27 1wis s VAL 13 N 3.30 2.82 0.43 1.40 0.11 -1.26 -4.98 120.40 122.22 1wis s VAL 13 Ca 0.82 0.67 -0.23 0.00 -2.93 0.00 0.00 61.98 60.31 1wis s VAL 13 Cb -0.44 -3.43 -0.09 0.00 -1.53 0.00 0.00 36.38 30.90 1wis s VAL 13 CO 0.37 0.10 1.05 -2.16 -3.33 0.00 0.00 175.10 171.12 1wis s PRO 14 N -0.07 4.03 0.70 1.54 0.04 -1.26 -5.04 135.00 134.95 1wis s PRO 14 Ca 0.60 1.46 -0.11 0.00 0.04 0.00 0.00 61.00 63.00 1wis s PRO 14 Cb -0.40 -2.38 0.01 0.00 0.04 0.00 0.00 34.50 31.77 1wis s PRO 14 CO 0.40 -0.25 1.06 -1.25 0.04 0.00 0.00 177.00 177.00 1wis s PRO 15 N -2.76 2.86 0.51 0.56 0.04 -1.26 -5.08 135.00 129.86 1wis s PRO 15 Ca 0.61 0.93 0.03 0.00 0.04 0.00 0.00 61.00 62.61 1wis s PRO 15 Cb -0.20 -1.98 -0.00 0.00 0.04 0.00 0.00 34.50 32.35 1wis s PRO 15 CO 0.25 -1.15 0.14 -1.21 0.04 0.00 0.00 177.00 175.08 1wis s GLU 16 N -5.05 2.21 0.47 4.56 0.41 -1.07 -4.85 118.70 115.38 1wis s GLU 16 Ca 0.58 -2.22 -0.20 0.00 -0.41 0.00 0.00 54.97 52.72 1wis s GLU 16 Cb -0.14 -1.75 -0.09 0.00 -1.78 0.00 0.00 34.13 30.37 1wis s GLU 16 CO 0.55 -0.41 1.00 -0.51 -0.49 0.00 0.00 175.26 175.40 1wis s LEU 17 N -4.00 3.84 0.00 1.80 1.43 -1.26 -4.65 118.68 115.84 1wis s LEU 17 Ca 0.19 1.78 0.00 0.00 -1.03 0.00 0.00 54.13 55.07 1wis s LEU 17 Cb 0.01 -4.54 0.00 0.00 0.03 0.00 0.00 46.19 41.69 1wis s LEU 17 CO 0.11 -0.60 0.00 -0.81 0.23 0.00 0.00 176.35 175.28 1wis n PRO 18 N -0.95 0.17 -4.40 1.29 -0.04 -1.16 -4.54 135.00 125.36 1wis n PRO 18 Ca 0.08 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.34 1wis n PRO 18 Cb 0.53 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.89 1wis n PRO 18 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1wis s GLY 19 N -1.97 1.88 -0.18 0.55 0.00 -0.84 -4.83 107.32 101.93 1wis s GLY 19 Ca 0.00 -1.95 -0.29 0.00 0.00 0.00 0.00 44.72 42.48 1wis s GLY 19 CO 0.00 -1.74 1.28 2.56 0.00 0.00 0.00 173.10 175.20 1wis s PRO 20 N -3.91 4.20 0.18 2.90 0.04 -1.26 -4.62 135.00 132.53 1wis s PRO 20 Ca 0.35 1.64 -0.30 0.00 0.04 0.00 0.00 61.00 62.72 1wis s PRO 20 Cb 0.08 -3.79 -0.08 0.00 0.04 0.00 0.00 34.50 30.75 1wis s PRO 20 CO 0.13 -0.76 1.12 -1.25 0.04 0.00 0.00 177.00 176.28 1wis s PRO 21 N 3.59 4.58 0.00 0.56 0.04 -1.26 -4.59 135.00 137.92 1wis s PRO 21 Ca 0.55 1.75 0.00 0.00 0.04 0.00 0.00 61.00 63.34 1wis s PRO 21 Cb -0.21 -3.27 0.00 0.00 0.04 0.00 0.00 34.50 31.06 1wis s PRO 21 CO 0.16 0.05 0.00 0.25 0.04 0.00 0.00 177.00 177.50 1wis n THR 22 N 2.35 0.00 -2.47 1.26 -2.24 -1.23 -4.71 114.28 107.23 1wis n THR 22 Ca 0.03 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.61 1wis n THR 22 Cb 0.46 -0.52 -0.00 0.00 -2.10 0.00 0.00 70.33 68.16 1wis n THR 22 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1wis n ASN 23 N -1.41 -5.64 -4.72 3.42 3.02 -1.26 -2.91 115.26 105.76 1wis n ASN 23 Ca 0.00 -0.06 -0.42 0.00 -0.03 0.00 0.00 54.58 54.07 1wis n ASN 23 Cb 0.00 -4.64 -0.03 0.00 -0.61 0.00 0.00 39.78 34.50 1wis n ASN 23 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1wis s LEU 24 N -5.71 4.39 -0.06 3.41 2.96 -1.26 -4.22 118.68 118.19 1wis s LEU 24 Ca 0.05 2.09 -0.15 0.00 -0.22 0.00 0.00 54.13 55.90 1wis s LEU 24 Cb -0.02 -3.59 0.03 0.00 0.50 0.00 0.00 46.19 43.11 1wis s LEU 24 CO 0.06 -0.46 0.35 -0.83 -1.32 0.00 0.00 176.35 174.14 1wis s GLY 25 N 0.84 -0.21 -0.34 7.98 0.00 -1.03 -4.95 107.32 109.61 1wis s GLY 25 Ca 0.58 0.60 -0.03 0.00 0.00 0.00 0.00 44.72 45.88 1wis s GLY 25 CO 0.31 0.41 0.08 -0.42 0.00 0.00 0.00 173.10 173.47 1wis s ILE 26 N -0.83 3.17 0.44 0.90 -1.09 -1.26 -2.34 121.20 120.17 1wis s ILE 26 Ca -0.09 -1.58 0.05 0.00 -2.23 0.00 0.00 60.65 56.80 1wis s ILE 26 Cb -0.04 -2.94 -0.06 0.00 -1.58 0.00 0.00 42.46 37.84 1wis s ILE 26 CO 0.03 -0.31 0.01 -0.44 -1.23 0.00 0.00 174.94 173.00 1wis s SER 27 N 1.44 3.92 -1.32 3.58 0.01 -0.92 -4.78 113.70 115.64 1wis s SER 27 Ca -0.00 -1.45 -0.10 0.00 1.31 0.00 0.00 55.95 55.71 1wis s SER 27 Cb -0.21 -0.15 0.00 0.00 0.21 0.00 0.00 66.02 65.88 1wis s SER 27 CO -0.02 -0.56 0.53 0.59 0.41 0.00 0.00 173.24 174.19 1wis n ASN 28 N -1.04 -2.09 -4.55 2.44 3.02 -1.26 -1.46 115.26 110.30 1wis n ASN 28 Ca -0.09 -1.06 -0.40 0.00 -0.03 0.00 0.00 54.58 53.00 1wis n ASN 28 Cb 0.67 -2.90 -0.03 0.00 -0.61 0.00 0.00 39.78 36.91 1wis n ASN 28 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1wis s ILE 29 N -3.80 3.58 0.00 2.41 1.01 -1.26 -3.44 121.20 119.69 1wis s ILE 29 Ca 0.19 0.36 0.00 0.00 0.00 0.00 0.00 60.65 61.21 1wis s ILE 29 Cb -0.08 -4.43 0.00 0.00 0.01 0.00 0.00 42.46 37.96 1wis s ILE 29 CO 0.90 -1.35 0.00 0.61 0.00 0.00 0.00 174.94 175.10 1wis n GLY 30 N 5.49 -0.32 0.07 6.18 0.00 0.39 -4.54 105.19 112.46 1wis n GLY 30 Ca 0.12 -1.70 -0.13 0.00 0.00 0.00 0.00 46.02 44.30 1wis n GLY 30 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wis h PRO 31 N 0.00 -0.01 0.00 1.61 0.13 -1.84 -1.87 132.00 130.02 1wis h PRO 31 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1wis h PRO 31 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1wis h PRO 31 CO 0.00 0.72 -0.08 0.54 -0.23 0.00 0.00 178.00 178.95 1wis n ARG 32 N -4.74 1.00 -3.88 0.86 1.74 -1.26 -3.86 116.66 106.52 1wis n ARG 32 Ca -0.09 -1.10 -0.11 0.00 -0.77 0.00 0.00 57.85 55.78 1wis n ARG 32 Cb 0.36 -0.75 -0.11 0.00 -1.02 0.00 0.00 32.46 30.94 1wis n ARG 32 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1wis s SER 33 N -0.77 0.01 0.12 0.55 0.01 -1.26 -1.71 113.70 110.65 1wis s SER 33 Ca 0.04 -0.10 -0.14 0.00 1.31 0.00 0.00 55.95 57.06 1wis s SER 33 Cb 0.03 0.20 0.02 0.00 0.21 0.00 0.00 66.02 66.48 1wis s SER 33 CO 0.00 -0.23 0.34 0.68 0.41 0.00 0.00 173.24 174.45 1wis s VAL 34 N -0.84 0.09 -0.16 3.43 -7.23 -1.15 0.15 120.40 114.69 1wis s VAL 34 Ca -0.09 -0.78 -0.10 0.00 -1.81 0.00 0.00 61.98 59.20 1wis s VAL 34 Cb -0.05 -1.25 -0.05 0.00 0.56 0.00 0.00 36.38 35.59 1wis s VAL 34 CO 0.01 -0.40 0.17 -0.89 -0.31 0.00 0.00 175.10 173.67 1wis s THR 35 N -3.83 5.41 -0.11 5.32 2.01 -0.54 0.33 115.64 124.24 1wis s THR 35 Ca 0.04 0.28 0.02 0.00 0.31 0.00 0.00 61.69 62.34 1wis s THR 35 Cb 0.03 -3.48 -0.01 0.00 0.01 0.00 0.00 72.50 69.04 1wis s THR 35 CO -0.11 0.50 -0.16 -0.22 -0.69 0.00 0.00 174.62 173.94 1wis s LEU 36 N -0.16 2.58 -0.01 4.42 0.20 -0.03 -2.16 118.68 123.53 1wis s LEU 36 Ca 0.12 -0.35 0.08 0.00 0.69 0.00 0.00 54.13 54.67 1wis s LEU 36 Cb -0.12 -1.55 -0.02 0.00 -0.43 0.00 0.00 46.19 44.07 1wis s LEU 36 CO 0.02 0.20 -0.25 -1.10 -0.29 0.00 0.00 176.35 174.93 1wis s GLN 37 N 0.12 2.00 0.04 1.98 -0.21 -0.99 -2.19 119.66 120.41 1wis s GLN 37 Ca -0.08 -0.94 -0.01 0.00 0.02 0.00 0.00 55.36 54.35 1wis s GLN 37 Cb -0.15 -1.98 0.00 0.00 1.00 0.00 0.00 33.01 31.89 1wis s GLN 37 CO 0.05 0.54 0.08 1.97 -2.12 0.00 0.00 175.29 175.81 1wis n PHE 38 N 2.34 -0.95 -3.69 0.91 -1.74 -1.16 -2.46 117.46 110.72 1wis n PHE 38 Ca -0.16 -0.23 -0.11 0.00 -0.56 0.00 0.00 57.45 56.39 1wis n PHE 38 Cb 0.51 0.09 -0.10 0.00 1.52 0.00 0.00 39.48 41.51 1wis n PHE 38 CO 0.00 0.00 0.00 1.03 -0.56 0.00 0.00 176.76 177.23 1wis s ARG 39 N -2.04 0.51 -0.52 3.97 0.52 -1.15 -4.83 118.95 115.41 1wis s ARG 39 Ca 0.02 0.82 -0.28 0.00 -0.52 0.00 0.00 55.73 55.78 1wis s ARG 39 Cb -0.00 0.11 0.01 0.00 0.52 0.00 0.00 34.95 35.59 1wis s ARG 39 CO 0.02 -0.12 1.48 -1.25 0.02 0.00 0.00 175.30 175.44 1wis s PRO 40 N 1.02 3.29 0.02 3.54 0.04 -1.26 -3.53 135.00 138.12 1wis s PRO 40 Ca -0.06 0.61 -0.17 0.00 0.04 0.00 0.00 61.00 61.42 1wis s PRO 40 Cb -0.06 -4.14 -0.09 0.00 0.04 0.00 0.00 34.50 30.25 1wis s PRO 40 CO -0.09 -1.94 1.19 0.78 0.04 0.00 0.00 177.00 176.98 1wis h GLY 41 N 13.27 -0.64 -6.54 0.56 0.00 -1.81 -3.42 103.07 104.49 1wis h GLY 41 Ca -0.27 0.24 -0.50 0.00 0.00 0.00 0.00 47.33 46.80 1wis h GLY 41 CO 1.16 -0.23 -0.78 -0.47 0.00 0.00 0.00 176.54 176.21 1wis s TYR 42 N -4.23 0.30 0.13 5.60 5.04 -1.26 -4.99 117.35 117.95 1wis s TYR 42 Ca -0.09 -1.22 -0.26 0.00 -2.44 0.00 0.00 57.07 53.07 1wis s TYR 42 Cb 0.01 -0.74 -0.06 0.00 0.35 0.00 0.00 41.96 41.52 1wis s TYR 42 CO 0.27 -0.87 1.45 -0.44 -1.34 0.00 0.00 175.55 174.61 1wis h ASP 43 N 7.27 -1.78 0.00 4.32 3.32 -1.89 -2.24 116.42 125.42 1wis h ASP 43 Ca 0.01 0.27 0.00 0.00 0.02 0.00 0.00 57.03 57.33 1wis h ASP 43 Cb 1.01 0.78 0.00 0.00 0.22 0.00 0.00 39.33 41.34 1wis h ASP 43 CO 0.27 -0.20 0.00 0.61 -1.72 0.00 0.00 179.24 178.20 1wis n GLY 44 N -1.21 1.10 3.26 2.75 0.00 -1.26 -3.00 105.19 106.83 1wis n GLY 44 Ca 0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 1wis n GLY 44 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1wis n LYS 45 N 0.00 -5.55 -3.34 1.61 4.01 -1.26 -2.59 118.16 111.04 1wis n LYS 45 Ca 0.00 0.83 0.02 0.00 -0.51 0.00 0.00 58.31 58.65 1wis n LYS 45 Cb 0.00 -5.73 -0.04 0.00 -0.51 0.00 0.00 35.03 28.76 1wis n LYS 45 CO 0.00 0.00 0.00 -0.08 -1.11 0.00 0.00 177.40 176.21 1wis s THR 46 N -3.20 -0.43 0.46 -0.18 -1.32 -1.26 -4.82 115.64 104.89 1wis s THR 46 Ca 0.41 0.00 -0.21 0.00 -1.21 0.00 0.00 61.69 60.68 1wis s THR 46 Cb -0.19 -1.00 -0.12 0.00 -1.51 0.00 0.00 72.50 69.69 1wis s THR 46 CO 0.51 0.00 0.53 -1.54 -2.21 0.00 0.00 174.62 171.90 1wis n SER 47 N 4.98 -0.96 -4.77 8.08 3.41 -1.26 -4.86 113.62 118.25 1wis n SER 47 Ca -0.08 0.86 -0.39 0.00 -0.26 0.00 0.00 58.87 58.99 1wis n SER 47 Cb 0.53 -1.13 0.00 0.00 -0.26 0.00 0.00 64.21 63.35 1wis n SER 47 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1wis s ILE 48 N -1.56 2.63 -0.12 -1.33 -1.09 -1.26 -4.71 121.20 113.77 1wis s ILE 48 Ca 0.64 0.54 -0.05 0.00 -2.23 0.00 0.00 60.65 59.55 1wis s ILE 48 Cb -0.55 -3.30 -0.26 0.00 -1.58 0.00 0.00 42.46 36.77 1wis s ILE 48 CO 0.57 0.06 0.37 -1.20 -1.23 0.00 0.00 174.94 173.51 1wis n SER 49 N -0.12 2.04 -3.63 3.58 7.64 0.51 -4.32 113.62 119.32 1wis n SER 49 Ca 0.05 0.21 -0.08 0.00 1.01 0.00 0.00 58.87 60.07 1wis n SER 49 Cb 0.44 -0.80 -0.07 0.00 -1.01 0.00 0.00 64.21 62.78 1wis n SER 49 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1wis s ARG 50 N -2.56 0.39 -0.09 1.43 3.00 -1.11 -2.05 118.95 117.95 1wis s ARG 50 Ca -0.21 0.38 -0.11 0.00 -1.00 0.00 0.00 55.73 54.79 1wis s ARG 50 Cb 0.07 0.19 -0.05 0.00 0.00 0.00 0.00 34.95 35.16 1wis s ARG 50 CO 0.77 -0.06 0.25 -1.58 0.00 0.00 0.00 175.30 174.68 1wis s TRP 51 N -0.07 3.61 -0.17 5.12 0.52 0.25 -1.96 118.94 126.24 1wis s TRP 51 Ca 0.04 0.68 -0.05 0.00 0.02 0.00 0.00 56.10 56.79 1wis s TRP 51 Cb -0.04 -2.13 -0.03 0.00 -1.15 0.00 0.00 33.47 30.12 1wis s TRP 51 CO -0.07 0.60 -0.01 -1.17 0.02 0.00 0.00 176.95 176.32 1wis s LEU 52 N -0.72 3.37 -0.28 2.99 2.96 -0.77 -1.89 118.68 124.33 1wis s LEU 52 Ca 0.18 -0.10 0.03 0.00 -0.22 0.00 0.00 54.13 54.01 1wis s LEU 52 Cb -0.14 -1.83 0.08 0.00 0.50 0.00 0.00 46.19 44.80 1wis s LEU 52 CO 0.07 0.14 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.51 1wis s VAL 53 N 0.53 2.04 0.45 1.68 1.01 0.19 -0.74 120.40 125.55 1wis s VAL 53 Ca -0.01 -1.79 0.08 0.00 0.00 0.00 0.00 61.98 60.25 1wis s VAL 53 Cb -0.14 -2.31 0.02 0.00 0.00 0.00 0.00 36.38 33.95 1wis s VAL 53 CO 0.02 -0.26 0.55 -1.61 0.00 0.00 0.00 175.10 173.80 1wis s GLU 54 N 1.11 2.66 0.10 2.72 2.02 -1.25 -0.65 118.70 125.41 1wis s GLU 54 Ca -0.01 -1.40 -0.25 0.00 0.02 0.00 0.00 54.97 53.34 1wis s GLU 54 Cb -0.19 -2.63 0.08 0.00 0.10 0.00 0.00 34.13 31.48 1wis s GLU 54 CO -0.07 -0.35 0.67 0.00 0.02 0.00 0.00 175.26 175.52 1wis s ALA 55 N -2.44 -1.66 0.25 5.21 0.00 -0.26 -1.68 121.76 121.17 1wis s ALA 55 Ca 0.54 0.70 0.11 0.00 0.00 0.00 0.00 51.96 53.30 1wis s ALA 55 Cb -0.08 0.68 -0.05 0.00 0.00 0.00 0.00 23.12 23.67 1wis s ALA 55 CO 0.32 -0.70 -0.12 -0.65 0.00 0.00 0.00 175.76 174.61 1wis s GLN 56 N -3.30 1.94 -0.19 0.00 -0.21 -1.23 -3.42 119.66 113.26 1wis s GLN 56 Ca 0.00 -1.55 -0.14 0.00 0.02 0.00 0.00 55.36 53.70 1wis s GLN 56 Cb -0.01 -1.98 -0.04 0.00 1.00 0.00 0.00 33.01 31.98 1wis s GLN 56 CO -0.09 0.36 0.31 0.08 -2.12 0.00 0.00 175.29 173.83 1wis s VAL 57 N -2.25 5.28 0.00 1.09 1.01 -1.26 -3.38 120.40 120.89 1wis s VAL 57 Ca 0.29 0.54 0.00 0.00 0.00 0.00 0.00 61.98 62.81 1wis s VAL 57 Cb -0.06 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.67 1wis s VAL 57 CO 0.16 0.33 0.00 0.61 0.00 0.00 0.00 175.10 176.21 1wis n GLY 58 N 3.72 0.48 3.50 4.51 0.00 -0.30 -4.33 105.19 112.78 1wis n GLY 58 Ca -0.11 0.40 -0.37 0.00 0.00 0.00 0.00 46.02 45.94 1wis n GLY 58 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1wis n VAL 59 N 0.00 -0.00 -3.27 1.61 0.31 -1.26 -4.77 118.33 110.94 1wis n VAL 59 Ca 0.00 -0.13 -0.46 0.00 -0.01 0.00 0.00 64.34 63.75 1wis n VAL 59 Cb 0.00 -0.55 -0.01 0.00 -0.91 0.00 0.00 33.84 32.37 1wis n VAL 59 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1wis s VAL 60 N 7.75 5.68 0.43 2.52 1.01 -1.26 -4.96 120.40 131.57 1wis s VAL 60 Ca 1.33 -2.85 0.03 0.00 0.00 0.00 0.00 61.98 60.49 1wis s VAL 60 Cb -1.13 -4.59 -0.03 0.00 0.00 0.00 0.00 36.38 30.63 1wis s VAL 60 CO 0.49 -1.18 0.07 -0.83 0.00 0.00 0.00 175.10 173.64 1wis s GLY 61 N 1.95 2.67 0.08 4.51 0.00 -1.26 -5.05 107.32 110.22 1wis s GLY 61 Ca 0.27 -1.14 0.20 0.00 0.00 0.00 0.00 44.72 44.05 1wis s GLY 61 CO -0.08 -1.97 0.79 -1.84 0.00 0.00 0.00 173.10 170.01 1wis n GLU 62 N -1.00 0.63 -0.28 2.90 0.28 -1.26 -4.11 120.64 117.80 1wis n GLU 62 Ca -0.10 0.10 -0.06 0.00 -0.16 0.00 0.00 57.16 56.94 1wis n GLU 62 Cb 0.66 -1.75 0.06 0.00 1.43 0.00 0.00 31.44 31.84 1wis n GLU 62 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 1wis h GLY 63 N 3.89 1.23 -3.99 -1.84 0.00 -1.99 -3.42 103.07 96.95 1wis h GLY 63 Ca -0.10 -0.67 -0.51 0.00 0.00 0.00 0.00 47.33 46.05 1wis h GLY 63 CO 0.02 0.63 0.34 -0.54 0.00 0.00 0.00 176.54 177.00 1wis s GLU 64 N -5.55 4.75 1.10 4.80 0.41 -1.26 -5.04 118.70 117.90 1wis s GLU 64 Ca -0.12 1.44 -0.18 0.00 -0.41 0.00 0.00 54.97 55.70 1wis s GLU 64 Cb 0.15 -3.34 0.28 0.00 -1.78 0.00 0.00 34.13 29.45 1wis s GLU 64 CO 0.83 0.34 0.73 -0.85 -0.49 0.00 0.00 175.26 175.82 1wis n GLU 65 N 2.27 -3.84 -4.63 1.61 0.28 -1.26 -4.86 120.64 110.21 1wis n GLU 65 Ca 0.00 -1.20 -0.26 0.00 -0.16 0.00 0.00 57.16 55.54 1wis n GLU 65 Cb 0.48 -1.43 -0.17 0.00 1.43 0.00 0.00 31.44 31.76 1wis n GLU 65 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 1wis s TRP 66 N -2.05 1.70 0.06 -1.84 0.52 -1.26 -4.90 118.94 111.17 1wis s TRP 66 Ca 0.53 -0.68 0.02 0.00 0.02 0.00 0.00 56.10 55.99 1wis s TRP 66 Cb -0.08 -1.22 -0.04 0.00 -1.15 0.00 0.00 33.47 30.98 1wis s TRP 66 CO 0.44 -0.34 0.12 -0.51 0.02 0.00 0.00 176.95 176.68 1wis s LEU 67 N 0.71 3.98 0.49 2.99 2.01 -1.22 -4.91 118.68 122.72 1wis s LEU 67 Ca -0.13 0.09 -0.20 0.00 0.01 0.00 0.00 54.13 53.90 1wis s LEU 67 Cb -0.16 -2.60 -0.08 0.00 0.01 0.00 0.00 46.19 43.36 1wis s LEU 67 CO 0.03 0.18 1.01 -0.22 1.01 0.00 0.00 176.35 178.37 1wis s LEU 68 N -2.35 3.80 0.00 1.79 2.96 -1.26 -1.10 118.68 122.52 1wis s LEU 68 Ca 0.30 1.82 0.00 0.00 -0.22 0.00 0.00 54.13 56.03 1wis s LEU 68 Cb -0.12 -4.55 0.00 0.00 0.50 0.00 0.00 46.19 42.02 1wis s LEU 68 CO 0.23 -0.70 0.00 2.30 -1.32 0.00 0.00 176.35 176.86 1wis n ILE 69 N -1.07 0.00 -4.53 6.68 -5.35 0.17 -4.85 119.36 110.42 1wis n ILE 69 Ca 0.08 0.00 -0.21 0.00 -0.27 0.00 0.00 62.75 62.35 1wis n ILE 69 Cb 0.53 -0.42 -0.15 0.00 -1.74 0.00 0.00 39.64 37.86 1wis n ILE 69 CO 0.00 0.00 0.00 -2.28 -1.76 0.00 0.00 176.55 172.51 1wis s HIS 70 N -1.64 1.08 -0.13 4.28 5.04 -0.60 -4.92 115.29 118.39 1wis s HIS 70 Ca 0.00 -0.21 -0.05 0.00 -1.54 0.00 0.00 55.06 53.25 1wis s HIS 70 Cb 0.00 -0.70 0.06 0.00 0.04 0.00 0.00 32.58 31.98 1wis s HIS 70 CO 0.00 -0.03 0.28 1.14 -2.34 0.00 0.00 174.74 173.79 1wis s GLN 71 N -0.23 0.19 -0.30 2.88 -2.07 -1.26 0.53 119.66 119.41 1wis s GLN 71 Ca 0.04 0.72 -0.10 0.00 -1.82 0.00 0.00 55.36 54.20 1wis s GLN 71 Cb -0.05 -0.02 -0.02 0.00 -1.09 0.00 0.00 33.01 31.83 1wis s GLN 71 CO -0.00 -0.24 0.15 -1.17 -1.32 0.00 0.00 175.29 172.71 1wis s LEU 72 N 2.07 4.04 0.15 2.60 2.96 -0.79 -4.93 118.68 124.78 1wis s LEU 72 Ca -0.02 -0.41 0.04 0.00 -0.22 0.00 0.00 54.13 53.51 1wis s LEU 72 Cb -0.11 -2.01 -0.04 0.00 0.50 0.00 0.00 46.19 44.52 1wis s LEU 72 CO -0.09 -0.16 0.19 -0.44 -1.32 0.00 0.00 176.35 174.53 1wis s SER 73 N 1.64 5.87 -0.31 3.68 0.01 -1.26 -0.58 113.70 122.74 1wis s SER 73 Ca 0.05 0.01 -0.18 0.00 1.31 0.00 0.00 55.95 57.14 1wis s SER 73 Cb -0.17 -1.64 0.03 0.00 0.21 0.00 0.00 66.02 64.45 1wis s SER 73 CO 0.07 0.07 0.38 -3.20 0.41 0.00 0.00 173.24 170.97 1wis n ASN 74 N -0.36 -6.76 0.00 2.44 2.85 -0.87 -4.98 115.26 107.58 1wis n ASN 74 Ca -0.08 0.41 0.00 0.00 -0.11 0.00 0.00 54.58 54.80 1wis n ASN 74 Cb 0.54 -3.13 0.00 0.00 1.24 0.00 0.00 39.78 38.43 1wis n ASN 74 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1wis n GLU 75 N 0.29 0.00 0.20 1.20 -0.58 -1.26 -5.03 120.64 115.46 1wis n GLU 75 Ca -0.00 0.00 0.09 0.00 -0.42 0.00 0.00 57.16 56.82 1wis n GLU 75 Cb 0.48 0.00 0.31 0.00 -0.57 0.00 0.00 31.44 31.66 1wis n GLU 75 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 1wis h PRO 76 N 0.00 0.00 -0.03 3.49 0.13 -1.94 -3.06 132.00 130.59 1wis h PRO 76 Ca 0.00 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.90 1wis h PRO 76 Cb 0.00 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.14 1wis h PRO 76 CO 0.00 0.25 -0.93 -0.44 -0.23 0.00 0.00 178.00 176.66 1wis h ASP 77 N 0.00 0.68 -1.21 1.44 5.19 -1.95 -3.46 116.42 117.11 1wis h ASP 77 Ca -0.00 -0.52 -0.75 0.00 -0.62 0.00 0.00 57.03 55.13 1wis h ASP 77 Cb 0.95 -0.21 0.05 0.00 0.18 0.00 0.00 39.33 40.30 1wis h ASP 77 CO 0.03 1.31 0.18 0.00 -3.12 0.00 0.00 179.24 177.65 1wis n ALA 78 N -2.57 -2.81 -0.02 3.45 0.00 -1.16 -4.84 120.51 112.55 1wis n ALA 78 Ca -0.08 0.57 0.01 0.00 0.00 0.00 0.00 53.44 53.95 1wis n ALA 78 Cb 0.82 -1.86 -0.06 0.00 0.00 0.00 0.00 19.45 18.36 1wis n ALA 78 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1wis n ARG 79 N 1.82 1.23 -3.92 0.00 5.12 -1.26 -5.01 116.66 114.63 1wis n ARG 79 Ca 0.19 -0.04 -0.10 0.00 -1.93 0.00 0.00 57.85 55.97 1wis n ARG 79 Cb 0.12 -1.18 -0.10 0.00 -1.16 0.00 0.00 32.46 30.13 1wis n ARG 79 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1wis s SER 80 N -3.27 0.14 0.11 0.55 1.04 -1.26 -3.00 113.70 108.01 1wis s SER 80 Ca -0.03 -0.43 -0.21 0.00 0.48 0.00 0.00 55.95 55.76 1wis s SER 80 Cb 0.04 0.20 0.05 0.00 0.10 0.00 0.00 66.02 66.41 1wis s SER 80 CO 0.31 -0.43 0.51 0.00 0.98 0.00 0.00 173.24 174.61 1wis s MET 81 N -2.04 1.12 0.22 4.02 0.23 -0.93 -5.00 119.30 116.92 1wis s MET 81 Ca -0.10 -0.46 -0.15 0.00 -1.03 0.00 0.00 55.69 53.95 1wis s MET 81 Cb -0.05 0.51 -0.08 0.00 -1.53 0.00 0.00 34.83 33.69 1wis s MET 81 CO -0.02 -0.45 0.64 -2.00 -2.03 0.00 0.00 175.02 171.16 1wis s GLU 82 N -3.29 4.03 -0.47 3.16 2.12 -1.26 -0.85 118.70 122.14 1wis s GLU 82 Ca -0.01 0.59 0.03 0.00 0.36 0.00 0.00 54.97 55.95 1wis s GLU 82 Cb 0.00 -2.76 0.12 0.00 0.26 0.00 0.00 34.13 31.76 1wis s GLU 82 CO -0.09 0.36 0.21 0.08 -0.54 0.00 0.00 175.26 175.28 1wis s VAL 83 N -1.66 2.59 0.00 3.70 1.01 0.15 -4.94 120.40 121.26 1wis s VAL 83 Ca 0.44 -3.01 0.00 0.00 0.00 0.00 0.00 61.98 59.41 1wis s VAL 83 Cb -0.14 -2.82 0.00 0.00 0.00 0.00 0.00 36.38 33.42 1wis s VAL 83 CO 0.20 -0.75 0.00 -0.81 0.00 0.00 0.00 175.10 173.74 1wis n PRO 84 N 3.47 0.34 -3.73 2.72 -0.04 -1.26 -2.92 135.00 133.57 1wis n PRO 84 Ca 0.05 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.25 1wis n PRO 84 Cb 0.35 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.82 1wis n PRO 84 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1wis n ASP 85 N -1.33 -5.17 -4.43 3.54 2.03 -0.92 -4.84 116.55 105.43 1wis n ASP 85 Ca 0.00 -0.91 -0.29 0.00 0.52 0.00 0.00 54.79 54.11 1wis n ASP 85 Cb 0.00 -2.31 -0.12 0.00 -0.72 0.00 0.00 41.12 37.97 1wis n ASP 85 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1wis s LEU 86 N -5.39 2.48 -0.38 -2.67 1.43 -0.69 -5.02 118.68 108.43 1wis s LEU 86 Ca 0.13 -0.70 -0.24 0.00 -1.03 0.00 0.00 54.13 52.29 1wis s LEU 86 Cb -0.06 -1.33 0.01 0.00 0.03 0.00 0.00 46.19 44.84 1wis s LEU 86 CO 0.89 0.17 0.83 0.20 0.23 0.00 0.00 176.35 178.67 1wis s ASN 87 N -2.19 6.57 0.58 2.29 -0.87 -1.26 -4.55 114.94 115.52 1wis s ASN 87 Ca 0.16 0.36 -0.16 0.00 -1.57 0.00 0.00 52.86 51.65 1wis s ASN 87 Cb -0.10 -2.42 -0.04 0.00 -0.02 0.00 0.00 41.25 38.67 1wis s ASN 87 CO 0.08 -0.80 1.05 -2.16 -2.57 0.00 0.00 177.10 172.69 1wis s PRO 88 N 3.26 3.40 -1.56 -0.60 0.04 -1.25 -3.57 135.00 134.72 1wis s PRO 88 Ca 0.33 1.17 -0.15 0.00 0.04 0.00 0.00 61.00 62.39 1wis s PRO 88 Cb -0.13 -2.05 0.12 0.00 0.04 0.00 0.00 34.50 32.49 1wis s PRO 88 CO 0.19 -0.75 0.79 0.34 0.04 0.00 0.00 177.00 177.61 1wis n PHE 89 N -1.98 -1.94 -3.77 0.56 -0.00 -0.76 -4.94 117.46 104.63 1wis n PHE 89 Ca 0.08 0.76 -0.13 0.00 -0.00 0.00 0.00 57.45 58.17 1wis n PHE 89 Cb 0.53 -3.29 -0.12 0.00 -0.00 0.00 0.00 39.48 36.60 1wis n PHE 89 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.76 177.75 1wis s THR 90 N -3.20 -0.02 -0.31 -2.13 2.01 -1.23 -4.99 115.64 105.77 1wis s THR 90 Ca 0.65 0.06 -0.29 0.00 0.31 0.00 0.00 61.69 62.41 1wis s THR 90 Cb -0.34 -0.35 0.00 0.00 0.01 0.00 0.00 72.50 71.82 1wis s THR 90 CO 0.80 0.02 1.34 0.00 -0.69 0.00 0.00 174.62 176.09 1wis s TYR 92 N 4.58 1.25 0.43 0.00 1.51 -1.26 -1.15 117.35 122.70 1wis s TYR 92 Ca 0.58 -0.76 0.06 0.00 -1.01 0.00 0.00 57.07 55.94 1wis s TYR 92 Cb -0.17 -0.64 -0.07 0.00 -0.11 0.00 0.00 41.96 40.98 1wis s TYR 92 CO 0.25 0.07 0.02 -1.54 -1.11 0.00 0.00 175.55 173.24 1wis s SER 93 N -3.13 3.96 -0.11 2.29 1.04 -1.22 -4.01 113.70 112.53 1wis s SER 93 Ca 0.16 -1.39 -0.16 0.00 0.48 0.00 0.00 55.95 55.04 1wis s SER 93 Cb 0.02 -0.27 0.04 0.00 0.10 0.00 0.00 66.02 65.92 1wis s SER 93 CO 0.00 -0.52 0.41 -0.36 0.98 0.00 0.00 173.24 173.76 1wis s PHE 94 N -2.73 -0.40 0.10 5.02 0.08 -1.26 -3.47 117.98 115.33 1wis s PHE 94 Ca 0.31 0.90 0.01 0.00 0.12 0.00 0.00 56.93 58.27 1wis s PHE 94 Cb 0.08 0.16 -0.00 0.00 -0.57 0.00 0.00 43.02 42.69 1wis s PHE 94 CO 0.16 -0.30 0.04 2.89 -0.10 0.00 0.00 175.22 177.92 1wis n ARG 95 N 2.27 0.73 -4.13 0.44 1.85 -0.68 -1.86 116.66 115.28 1wis n ARG 95 Ca -0.16 -0.88 -0.09 0.00 -1.00 0.00 0.00 57.85 55.72 1wis n ARG 95 Cb 0.57 0.52 -0.10 0.00 -1.05 0.00 0.00 32.46 32.40 1wis n ARG 95 CO 0.00 0.00 0.00 -1.64 -0.01 0.00 0.00 177.63 175.98 1wis s MET 96 N -2.39 0.74 -0.05 2.89 -1.94 -1.26 -3.86 119.30 113.44 1wis s MET 96 Ca 0.06 -1.29 -0.21 0.00 -1.71 0.00 0.00 55.69 52.54 1wis s MET 96 Cb 0.00 0.00 0.04 0.00 2.01 0.00 0.00 34.83 36.89 1wis s MET 96 CO 0.04 -0.07 0.48 1.03 -0.01 0.00 0.00 175.02 176.49 1wis s ARG 97 N -3.88 0.81 -0.13 2.03 0.52 0.08 -3.57 118.95 114.81 1wis s ARG 97 Ca 0.10 0.08 0.02 0.00 -0.52 0.00 0.00 55.73 55.41 1wis s ARG 97 Cb 0.07 0.38 -0.00 0.00 0.52 0.00 0.00 34.95 35.91 1wis s ARG 97 CO -0.07 -0.23 -0.19 -0.65 0.02 0.00 0.00 175.30 174.19 1wis s GLN 98 N -1.11 3.17 -0.09 3.54 -0.21 -1.26 -1.86 119.66 121.84 1wis s GLN 98 Ca -0.11 -0.79 0.04 0.00 0.02 0.00 0.00 55.36 54.52 1wis s GLN 98 Cb -0.03 -2.49 0.00 0.00 1.00 0.00 0.00 33.01 31.49 1wis s GLN 98 CO 0.06 0.11 -0.23 0.08 -2.12 0.00 0.00 175.29 173.19 1wis s VAL 99 N 0.55 1.96 0.38 1.09 1.01 -0.83 -1.61 120.40 122.95 1wis s VAL 99 Ca -0.11 -0.96 0.06 0.00 0.00 0.00 0.00 61.98 60.96 1wis s VAL 99 Cb -0.16 -1.69 -0.02 0.00 0.00 0.00 0.00 36.38 34.50 1wis s VAL 99 CO 0.04 0.54 0.22 -0.46 0.00 0.00 0.00 175.10 175.43 1wis n ASN 100 N 3.51 0.32 0.23 3.32 0.23 -0.40 0.19 115.26 122.67 1wis n ASN 100 Ca -0.19 -3.25 0.14 0.00 -0.53 0.00 0.00 54.58 50.75 1wis n ASN 100 Cb 0.53 1.37 0.76 0.00 -2.08 0.00 0.00 39.78 40.36 1wis n ASN 100 CO 0.00 0.00 0.00 -0.29 -0.93 0.00 0.00 177.26 176.04 1wis h ILE 101 N 1.89 0.00 0.00 1.53 6.09 -1.92 -3.11 117.51 122.00 1wis h ILE 101 Ca -0.29 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.20 1wis h ILE 101 Cb 1.25 0.62 0.00 0.00 0.47 0.00 0.00 36.82 39.15 1wis h ILE 101 CO 0.44 0.00 0.00 0.52 -3.07 0.00 0.00 178.15 176.04 1wis n VAL 102 N -2.52 0.00 -0.94 2.19 0.31 -1.26 -5.07 118.33 111.04 1wis n VAL 102 Ca -0.02 0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 1wis n VAL 102 Cb 0.12 -0.24 0.00 0.00 -0.91 0.00 0.00 33.84 32.81 1wis n VAL 102 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1wis n GLY 103 N 2.45 3.46 3.11 2.92 0.00 -1.18 -5.06 105.19 110.89 1wis n GLY 103 Ca 0.00 -0.45 -0.27 0.00 0.00 0.00 0.00 46.02 45.30 1wis n GLY 103 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wis s THR 104 N -0.86 1.46 1.06 2.61 2.01 -1.26 -1.27 115.64 119.39 1wis s THR 104 Ca 0.00 -0.69 -0.14 0.00 0.31 0.00 0.00 61.69 61.17 1wis s THR 104 Cb 0.00 -1.29 0.22 0.00 0.01 0.00 0.00 72.50 71.44 1wis s THR 104 CO 0.00 0.43 1.10 -0.94 -0.69 0.00 0.00 174.62 174.52 1wis s SER 105 N 0.39 2.11 1.00 3.53 1.04 -0.64 -4.99 113.70 116.15 1wis s SER 105 Ca -0.12 1.01 -0.15 0.00 0.48 0.00 0.00 55.95 57.16 1wis s SER 105 Cb -0.15 -1.56 0.19 0.00 0.10 0.00 0.00 66.02 64.60 1wis s SER 105 CO 0.05 -3.43 1.18 -2.16 0.98 0.00 0.00 173.24 169.86 1wis s PRO 106 N -5.09 0.42 0.23 4.02 0.04 -1.26 -4.68 135.00 128.67 1wis s PRO 106 Ca 0.67 0.02 -0.30 0.00 0.04 0.00 0.00 61.00 61.43 1wis s PRO 106 Cb -0.16 -1.78 -0.09 0.00 0.04 0.00 0.00 34.50 32.51 1wis s PRO 106 CO 0.57 -2.63 1.10 -1.25 0.04 0.00 0.00 177.00 174.83 1wis s PRO 107 N -5.47 4.62 0.29 0.56 0.04 -1.26 -4.81 135.00 128.98 1wis s PRO 107 Ca 0.68 1.76 -0.02 0.00 0.04 0.00 0.00 61.00 63.46 1wis s PRO 107 Cb -0.11 -3.24 -0.04 0.00 0.04 0.00 0.00 34.50 31.16 1wis s PRO 107 CO 0.54 0.15 0.52 0.45 0.04 0.00 0.00 177.00 178.69 1wis s SER 108 N -0.49 6.37 0.16 6.66 0.15 -1.23 -5.01 113.70 120.31 1wis s SER 108 Ca 0.47 0.55 -0.32 0.00 0.70 0.00 0.00 55.95 57.35 1wis s SER 108 Cb -0.31 -2.07 -0.17 0.00 -1.71 0.00 0.00 66.02 61.76 1wis s SER 108 CO 0.38 -0.20 0.83 0.00 1.20 0.00 0.00 173.24 175.45 1wis n GLN 109 N -1.20 0.38 -2.44 5.44 6.02 -1.26 -4.58 117.38 119.74 1wis n GLN 109 Ca -0.03 0.13 -0.34 0.00 -0.01 0.00 0.00 57.00 56.75 1wis n GLN 109 Cb 0.55 -1.39 -0.03 0.00 1.02 0.00 0.00 30.24 30.39 1wis n GLN 109 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1wis s PRO 110 N -0.70 3.71 0.28 -1.09 0.04 -1.26 -4.80 135.00 131.18 1wis s PRO 110 Ca 0.72 1.31 -0.29 0.00 0.04 0.00 0.00 61.00 62.78 1wis s PRO 110 Cb -0.97 -2.08 -0.09 0.00 0.04 0.00 0.00 34.50 31.39 1wis s PRO 110 CO 0.56 -0.50 1.02 -1.54 0.04 0.00 0.00 177.00 176.58 1wis s SER 111 N -2.19 7.37 0.73 6.66 1.04 -0.78 -4.97 113.70 121.56 1wis s SER 111 Ca 0.66 2.10 -0.17 0.00 0.48 0.00 0.00 55.95 59.02 1wis s SER 111 Cb -0.16 -2.61 -0.15 0.00 0.10 0.00 0.00 66.02 63.20 1wis s SER 111 CO 0.24 -0.05 -0.46 0.54 0.98 0.00 0.00 173.24 174.49 1wis n ARG 112 N 1.15 0.00 -2.07 4.02 1.74 -1.26 -4.52 116.66 115.72 1wis n ARG 112 Ca -0.01 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.65 1wis n ARG 112 Cb 0.46 -0.97 -0.03 0.00 -1.02 0.00 0.00 32.46 30.91 1wis n ARG 112 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1wis s LYS 113 N -1.46 3.81 0.52 5.56 1.02 -1.26 -4.91 119.74 123.01 1wis s LYS 113 Ca 0.47 1.75 0.06 0.00 0.02 0.00 0.00 55.97 58.26 1wis s LYS 113 Cb -0.33 -4.05 0.02 0.00 -0.52 0.00 0.00 37.83 32.96 1wis s LYS 113 CO 0.72 -1.29 0.37 0.96 -0.92 0.00 0.00 175.35 175.19 1wis s ILE 114 N 5.23 1.78 -0.08 2.17 -5.25 -1.26 -5.05 121.20 118.74 1wis s ILE 114 Ca 0.73 -1.51 0.02 0.00 -0.99 0.00 0.00 60.65 58.89 1wis s ILE 114 Cb -0.26 -2.30 0.02 0.00 2.95 0.00 0.00 42.46 42.86 1wis s ILE 114 CO 0.30 0.00 -0.12 -1.58 -1.79 0.00 0.00 174.94 171.75 1wis s GLN 115 N -4.22 1.76 0.27 0.37 0.74 -1.26 -4.04 119.66 113.28 1wis s GLN 115 Ca 0.35 -0.41 -0.20 0.00 0.05 0.00 0.00 55.36 55.16 1wis s GLN 115 Cb -0.02 -1.53 -0.09 0.00 1.10 0.00 0.00 33.01 32.47 1wis s GLN 115 CO 0.21 -0.05 0.77 0.95 -0.55 0.00 0.00 175.29 176.62 1wis s THR 116 N 0.95 4.53 1.11 -0.34 -4.23 -1.26 -4.94 115.64 111.46 1wis s THR 116 Ca -0.09 1.29 -0.15 0.00 -1.18 0.00 0.00 61.69 61.56 1wis s THR 116 Cb -0.15 -3.81 0.24 0.00 1.34 0.00 0.00 72.50 70.13 1wis s THR 116 CO 0.00 0.07 1.09 -0.76 -0.54 0.00 0.00 174.62 174.49 1wis s LEU 117 N -2.29 1.06 0.33 4.79 1.43 -0.70 -1.82 118.68 121.47 1wis s LEU 117 Ca 0.48 0.96 -0.26 0.00 -1.03 0.00 0.00 54.13 54.28 1wis s LEU 117 Cb -0.15 -2.91 -0.10 0.00 0.03 0.00 0.00 46.19 43.07 1wis s LEU 117 CO 0.20 -3.70 0.96 -1.10 0.23 0.00 0.00 176.35 172.94 1wis s GLN 118 N -5.11 4.52 0.62 1.70 -0.21 -1.26 -3.15 119.66 116.77 1wis s GLN 118 Ca 0.68 1.36 -0.11 0.00 0.02 0.00 0.00 55.36 57.31 1wis s GLN 118 Cb -0.15 -2.76 -0.04 0.00 1.00 0.00 0.00 33.01 31.06 1wis s GLN 118 CO 0.57 0.22 1.03 0.45 -2.12 0.00 0.00 175.29 175.44 1wis s SER 119 N -1.60 6.20 0.00 5.90 0.15 -1.26 -4.71 113.70 118.37 1wis s SER 119 Ca 0.51 1.43 0.00 0.00 0.70 0.00 0.00 55.95 58.59 1wis s SER 119 Cb -0.19 -2.47 0.00 0.00 -1.71 0.00 0.00 66.02 61.65 1wis s SER 119 CO 0.24 -0.89 0.00 0.61 1.20 0.00 0.00 173.24 174.40 1wis n GLY 120 N -2.70 -1.80 3.77 9.45 0.00 -1.26 -4.97 105.19 107.68 1wis n GLY 120 Ca 0.06 -1.70 -0.30 0.00 0.00 0.00 0.00 46.02 44.09 1wis n GLY 120 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wis s PRO 121 N 0.00 0.23 0.14 1.61 0.04 -1.26 -5.10 135.00 130.66 1wis s PRO 121 Ca 0.00 -0.05 -0.25 0.00 0.04 0.00 0.00 61.00 60.75 1wis s PRO 121 Cb 0.00 -1.76 0.07 0.00 0.04 0.00 0.00 34.50 32.84 1wis s PRO 121 CO 0.00 -2.75 0.80 0.45 0.04 0.00 0.00 177.00 175.54 1wis s SER 122 N -4.26 -0.35 -0.08 6.66 0.15 -1.26 -5.07 113.70 109.48 1wis s SER 122 Ca 0.69 -0.23 0.03 0.00 0.70 0.00 0.00 55.95 57.15 1wis s SER 122 Cb -0.10 0.54 -0.02 0.00 -1.71 0.00 0.00 66.02 64.73 1wis s SER 122 CO 0.54 -0.93 -0.17 -0.94 1.20 0.00 0.00 173.24 172.94 1wis s SER 123 N -2.76 3.71 0.00 5.45 1.04 -1.26 -5.30 113.70 114.58 1wis s SER 123 Ca 0.07 -0.35 0.00 0.00 0.48 0.00 0.00 55.95 56.15 1wis s SER 123 Cb -0.02 -1.15 0.00 0.00 0.10 0.00 0.00 66.02 64.95 1wis s SER 123 CO -0.04 0.24 0.00 0.61 0.98 0.00 0.00 173.24 175.03