#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 -0.69 0.49 1.61 0.01 -1.26 -5.17 113.70 108.70 1wis s SER 2 Ca 0.00 1.17 -0.11 0.00 1.31 0.00 0.00 55.95 58.32 1wis s SER 2 Cb 0.00 1.13 -0.06 0.00 0.21 0.00 0.00 66.02 67.30 1wis s SER 2 CO 0.00 -0.34 0.88 -0.55 0.41 0.00 0.00 173.24 173.64 1wis s SER 3 N -0.11 6.42 0.00 2.44 0.15 -1.26 -4.93 113.70 116.41 1wis s SER 3 Ca -0.03 1.25 0.00 0.00 0.70 0.00 0.00 55.95 57.87 1wis s SER 3 Cb -0.03 -2.38 0.00 0.00 -1.71 0.00 0.00 66.02 61.89 1wis s SER 3 CO 0.03 -0.59 0.00 0.61 1.20 0.00 0.00 173.24 174.49 1wis n GLY 4 N -1.90 -1.82 3.68 9.45 0.00 -1.26 -4.87 105.19 108.47 1wis n GLY 4 Ca 0.04 -1.38 -0.43 0.00 0.00 0.00 0.00 46.02 44.25 1wis n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wis n SER 5 N -1.19 4.02 -3.26 1.61 7.64 -1.26 -4.94 113.62 116.24 1wis n SER 5 Ca 0.00 0.97 -0.15 0.00 1.01 0.00 0.00 58.87 60.70 1wis n SER 5 Cb 0.00 -1.53 -0.06 0.00 -1.01 0.00 0.00 64.21 61.61 1wis n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wis s SER 6 N 3.05 0.59 0.00 6.43 0.01 -1.26 -5.12 113.70 117.39 1wis s SER 6 Ca 0.84 -1.82 0.00 0.00 1.31 0.00 0.00 55.95 56.28 1wis s SER 6 Cb -0.49 0.70 0.00 0.00 0.21 0.00 0.00 66.02 66.44 1wis s SER 6 CO 0.39 -0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.45 1wis n GLY 7 N 3.80 2.01 3.51 3.44 0.00 -1.26 -5.15 105.19 111.54 1wis n GLY 7 Ca 0.16 -0.83 -0.10 0.00 0.00 0.00 0.00 46.02 45.25 1wis n GLY 7 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1wis s THR 8 N -2.74 0.02 -0.02 2.61 -1.32 -1.26 -5.17 115.64 107.76 1wis s THR 8 Ca 0.00 -0.60 0.04 0.00 -1.21 0.00 0.00 61.69 59.91 1wis s THR 8 Cb 0.00 -1.45 -0.00 0.00 -1.51 0.00 0.00 72.50 69.54 1wis s THR 8 CO 0.00 -0.10 -0.14 -0.51 -2.21 0.00 0.00 174.62 171.67 1wis s ILE 9 N -3.84 1.11 0.22 5.08 1.10 -1.26 -4.96 121.20 118.64 1wis s ILE 9 Ca 0.07 -0.57 0.00 0.00 -0.51 0.00 0.00 60.65 59.64 1wis s ILE 9 Cb -0.01 -0.95 0.00 0.00 0.15 0.00 0.00 42.46 41.65 1wis s ILE 9 CO -0.05 0.32 0.00 -0.24 -2.11 0.00 0.00 174.94 172.86 1wis n SER 10 N 3.00 -1.93 -3.70 4.50 2.88 -1.26 -5.13 113.62 111.98 1wis n SER 10 Ca -0.16 0.65 -0.11 0.00 -1.33 0.00 0.00 58.87 57.91 1wis n SER 10 Cb 0.54 2.04 -0.12 0.00 -0.75 0.00 0.00 64.21 65.92 1wis n SER 10 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wis s SER 11 N -2.00 -0.33 0.00 -3.46 0.15 -1.26 -5.11 113.70 101.69 1wis s SER 11 Ca 0.00 0.72 0.00 0.00 0.70 0.00 0.00 55.95 57.37 1wis s SER 11 Cb 0.00 0.64 0.00 0.00 -1.71 0.00 0.00 66.02 64.95 1wis s SER 11 CO 0.00 -0.19 0.00 0.61 1.20 0.00 0.00 173.24 174.86 1wis n GLY 12 N 4.39 -0.57 3.78 9.45 0.00 -1.26 -4.99 105.19 115.99 1wis n GLY 12 Ca -0.22 -1.40 -0.39 0.00 0.00 0.00 0.00 46.02 44.01 1wis n GLY 12 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wis s VAL 13 N -1.96 4.38 0.43 1.61 1.01 -1.26 -5.02 120.40 119.59 1wis s VAL 13 Ca 0.00 1.68 -0.22 0.00 0.00 0.00 0.00 61.98 63.44 1wis s VAL 13 Cb 0.00 -4.13 -0.09 0.00 0.00 0.00 0.00 36.38 32.17 1wis s VAL 13 CO 0.00 0.51 1.05 -2.16 0.00 0.00 0.00 175.10 174.50 1wis s PRO 14 N -1.18 4.02 0.88 2.72 0.04 -1.26 -5.04 135.00 135.18 1wis s PRO 14 Ca 0.36 1.46 -0.12 0.00 0.04 0.00 0.00 61.00 62.73 1wis s PRO 14 Cb -0.23 -2.36 0.12 0.00 0.04 0.00 0.00 34.50 32.07 1wis s PRO 14 CO 0.26 -0.26 1.13 -1.25 0.04 0.00 0.00 177.00 176.92 1wis s PRO 15 N -2.79 1.38 0.35 0.56 0.04 -1.26 -5.09 135.00 128.19 1wis s PRO 15 Ca 0.62 0.38 0.03 0.00 0.04 0.00 0.00 61.00 62.06 1wis s PRO 15 Cb -0.20 -1.86 -0.04 0.00 0.04 0.00 0.00 34.50 32.44 1wis s PRO 15 CO 0.25 -2.05 0.10 -1.21 0.04 0.00 0.00 177.00 174.13 1wis s GLU 16 N -5.25 1.73 0.50 4.56 2.02 -1.19 -4.91 118.70 116.17 1wis s GLU 16 Ca 0.63 -2.01 -0.19 0.00 0.02 0.00 0.00 54.97 53.42 1wis s GLU 16 Cb -0.15 -0.60 -0.08 0.00 0.10 0.00 0.00 34.13 33.40 1wis s GLU 16 CO 0.53 -0.35 1.01 -0.51 0.02 0.00 0.00 175.26 175.97 1wis s LEU 17 N -3.50 3.75 0.00 1.80 1.43 -1.26 -4.69 118.68 116.21 1wis s LEU 17 Ca 0.31 1.79 0.00 0.00 -1.03 0.00 0.00 54.13 55.20 1wis s LEU 17 Cb 0.06 -4.54 0.00 0.00 0.03 0.00 0.00 46.19 41.73 1wis s LEU 17 CO 0.15 -0.74 0.00 -0.81 0.23 0.00 0.00 176.35 175.18 1wis n PRO 18 N -1.23 0.83 -4.32 1.29 -0.04 -1.23 -4.50 135.00 125.79 1wis n PRO 18 Ca 0.08 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.37 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 -1.20 1.55 -0.20 0.55 0.00 0.69 -4.93 107.32 103.78 1wis s GLY 19 Ca 0.00 -1.76 -0.29 0.00 0.00 0.00 0.00 44.72 42.66 1wis s GLY 19 CO 0.00 -1.65 1.29 2.56 0.00 0.00 0.00 173.10 175.30 1wis s PRO 20 N -3.88 4.14 0.46 2.90 0.04 -1.26 -4.56 135.00 132.84 1wis s PRO 20 Ca 0.29 1.57 -0.21 0.00 0.04 0.00 0.00 61.00 62.69 1wis s PRO 20 Cb 0.06 -3.81 -0.09 0.00 0.04 0.00 0.00 34.50 30.70 1wis s PRO 20 CO 0.09 -0.83 1.04 -1.25 0.04 0.00 0.00 177.00 176.09 1wis s PRO 21 N 3.72 3.91 0.00 0.56 0.04 -1.26 -4.65 135.00 137.32 1wis s PRO 21 Ca 0.56 1.41 0.00 0.00 0.04 0.00 0.00 61.00 63.01 1wis s PRO 21 Cb -0.21 -2.23 0.00 0.00 0.04 0.00 0.00 34.50 32.10 1wis s PRO 21 CO 0.17 -0.34 0.00 0.25 0.04 0.00 0.00 177.00 177.12 1wis n THR 22 N -0.69 0.00 -2.42 1.26 -2.24 -1.22 -4.74 114.28 104.23 1wis n THR 22 Ca 0.08 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.67 1wis n THR 22 Cb 0.52 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.74 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 -0.64 -5.52 -4.71 3.42 4.13 -1.26 -2.64 115.26 108.05 1wis n ASN 23 Ca 0.00 -0.04 -0.42 0.00 1.68 0.00 0.00 54.58 55.80 1wis n ASN 23 Cb 0.00 -4.54 -0.03 0.00 -1.54 0.00 0.00 39.78 33.67 1wis n ASN 23 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1wis s LEU 24 N -5.54 4.35 0.01 3.41 2.96 -1.26 -4.07 118.68 118.54 1wis s LEU 24 Ca 0.03 2.00 -0.23 0.00 -0.22 0.00 0.00 54.13 55.71 1wis s LEU 24 Cb -0.01 -3.58 0.05 0.00 0.50 0.00 0.00 46.19 43.15 1wis s LEU 24 CO 0.04 -0.50 0.52 -0.83 -1.32 0.00 0.00 176.35 174.26 1wis s GLY 25 N 1.16 -0.41 -0.16 7.98 0.00 -1.06 -4.89 107.32 109.94 1wis s GLY 25 Ca 0.59 0.75 -0.06 0.00 0.00 0.00 0.00 44.72 45.99 1wis s GLY 25 CO 0.28 0.45 0.06 -0.42 0.00 0.00 0.00 173.10 173.46 1wis s ILE 26 N -1.87 4.75 0.14 0.90 -1.09 -1.26 -1.94 121.20 120.83 1wis s ILE 26 Ca -0.08 -0.05 -0.00 0.00 -2.23 0.00 0.00 60.65 58.28 1wis s ILE 26 Cb -0.01 -3.11 -0.04 0.00 -1.58 0.00 0.00 42.46 37.71 1wis s ILE 26 CO 0.03 0.50 0.03 -0.44 -1.23 0.00 0.00 174.94 173.83 1wis s SER 27 N 0.04 0.64 -1.24 3.58 0.01 -0.45 -4.89 113.70 111.39 1wis s SER 27 Ca 0.05 -1.18 -0.31 0.00 1.31 0.00 0.00 55.95 55.82 1wis s SER 27 Cb -0.12 0.23 0.04 0.00 0.21 0.00 0.00 66.02 66.37 1wis s SER 27 CO 0.01 -0.66 0.64 0.59 0.41 0.00 0.00 173.24 174.22 1wis n ASN 28 N -0.13 -3.78 -4.55 2.44 3.02 -1.26 -1.54 115.26 109.46 1wis n ASN 28 Ca -0.07 -1.28 -0.39 0.00 -0.03 0.00 0.00 54.58 52.81 1wis n ASN 28 Cb 0.63 -1.78 -0.03 0.00 -0.61 0.00 0.00 39.78 38.00 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 -3.60 3.38 0.00 2.41 1.01 -1.26 -3.60 121.20 119.54 1wis s ILE 29 Ca 0.45 0.23 0.00 0.00 0.00 0.00 0.00 60.65 61.34 1wis s ILE 29 Cb -0.24 -3.96 0.00 0.00 0.01 0.00 0.00 42.46 38.26 1wis s ILE 29 CO 0.97 -0.92 0.00 0.61 0.00 0.00 0.00 174.94 175.60 1wis n GLY 30 N 5.67 -0.81 0.11 6.18 0.00 0.16 -4.44 105.19 112.06 1wis n GLY 30 Ca 0.20 -1.69 -0.10 0.00 0.00 0.00 0.00 46.02 44.43 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 -0.16 0.00 1.61 0.13 -1.82 -1.88 132.00 129.89 1wis h PRO 31 Ca 0.00 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1wis h PRO 31 Cb 0.00 0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.17 1wis h PRO 31 CO 0.00 0.29 0.00 0.54 -0.23 0.00 0.00 178.00 178.60 1wis n ARG 32 N -4.86 0.39 -3.90 0.86 1.74 -1.26 -3.88 116.66 105.75 1wis n ARG 32 Ca -0.07 -0.75 -0.11 0.00 -0.77 0.00 0.00 57.85 56.16 1wis n ARG 32 Cb 0.26 -0.91 -0.12 0.00 -1.02 0.00 0.00 32.46 30.66 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 -0.30 0.07 0.29 0.55 0.01 -1.26 -0.59 113.70 112.47 1wis s SER 33 Ca 0.00 -0.16 -0.01 0.00 1.31 0.00 0.00 55.95 57.09 1wis s SER 33 Cb 0.00 0.09 -0.02 0.00 0.21 0.00 0.00 66.02 66.30 1wis s SER 33 CO 0.00 -0.15 0.34 0.68 0.41 0.00 0.00 173.24 174.52 1wis s VAL 34 N -0.64 0.00 -0.18 3.43 -7.23 -1.06 0.35 120.40 115.07 1wis s VAL 34 Ca -0.07 -1.78 -0.02 0.00 -1.81 0.00 0.00 61.98 58.31 1wis s VAL 34 Cb -0.04 -2.51 -0.01 0.00 0.56 0.00 0.00 36.38 34.38 1wis s VAL 34 CO -0.00 0.00 -0.10 -0.89 -0.31 0.00 0.00 175.10 173.80 1wis s THR 35 N -3.55 3.05 -0.23 5.32 2.01 -0.59 -0.08 115.64 121.57 1wis s THR 35 Ca 0.34 -0.62 -0.06 0.00 0.31 0.00 0.00 61.69 61.65 1wis s THR 35 Cb 0.02 -2.34 -0.03 0.00 0.01 0.00 0.00 72.50 70.17 1wis s THR 35 CO 0.19 0.48 0.04 -0.22 -0.69 0.00 0.00 174.62 174.42 1wis s LEU 36 N 1.05 3.35 0.05 4.42 0.20 -0.82 -1.34 118.68 125.58 1wis s LEU 36 Ca -0.00 -0.22 0.02 0.00 0.69 0.00 0.00 54.13 54.61 1wis s LEU 36 Cb -0.15 -1.88 -0.04 0.00 -0.43 0.00 0.00 46.19 43.69 1wis s LEU 36 CO -0.02 -0.01 0.09 -1.10 -0.29 0.00 0.00 176.35 175.03 1wis s GLN 37 N 1.44 3.00 0.03 1.98 -0.21 -0.82 -2.80 119.66 122.29 1wis s GLN 37 Ca 0.05 -0.60 -0.03 0.00 0.02 0.00 0.00 55.36 54.80 1wis s GLN 37 Cb -0.15 -2.80 0.01 0.00 1.00 0.00 0.00 33.01 31.07 1wis s GLN 37 CO 0.02 0.60 0.15 1.97 -2.12 0.00 0.00 175.29 175.91 1wis n PHE 38 N 0.66 -0.78 -3.70 0.91 1.16 -1.07 -2.57 117.46 112.08 1wis n PHE 38 Ca -0.10 -0.21 -0.11 0.00 -1.87 0.00 0.00 57.45 55.17 1wis n PHE 38 Cb 0.52 0.10 -0.11 0.00 -1.61 0.00 0.00 39.48 38.38 1wis n PHE 38 CO 0.00 0.00 0.00 1.03 -1.87 0.00 0.00 176.76 175.92 1wis s ARG 39 N -2.01 0.37 -0.58 3.97 0.52 -1.08 -4.75 118.95 115.39 1wis s ARG 39 Ca 0.03 0.78 -0.27 0.00 -0.52 0.00 0.00 55.73 55.74 1wis s ARG 39 Cb -0.00 -0.02 0.01 0.00 0.52 0.00 0.00 34.95 35.45 1wis s ARG 39 CO 0.01 -0.16 1.51 -1.25 0.02 0.00 0.00 175.30 175.42 1wis s PRO 40 N 1.46 3.16 0.00 3.54 0.04 -1.26 -3.39 135.00 138.54 1wis s PRO 40 Ca -0.09 0.45 0.00 0.00 0.04 0.00 0.00 61.00 61.40 1wis s PRO 40 Cb -0.09 -4.19 0.00 0.00 0.04 0.00 0.00 34.50 30.26 1wis s PRO 40 CO -0.12 -2.12 0.60 0.41 0.04 0.00 0.00 177.00 175.81 1wis n GLY 41 N 5.37 -2.87 2.98 0.56 0.00 -1.26 -4.68 105.19 105.30 1wis n GLY 41 Ca 0.13 0.01 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 1wis n GLY 41 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1wis s TYR 42 N -1.39 2.84 0.16 1.61 5.04 -1.26 -4.99 117.35 119.36 1wis s TYR 42 Ca 0.00 -2.13 -0.16 0.00 -2.44 0.00 0.00 57.07 52.34 1wis s TYR 42 Cb 0.00 -1.90 0.03 0.00 0.35 0.00 0.00 41.96 40.44 1wis s TYR 42 CO 0.00 -0.84 1.81 -0.44 -1.34 0.00 0.00 175.55 174.74 1wis h ASP 43 N 7.85 0.42 0.00 4.32 3.32 -1.89 0.20 116.42 130.64 1wis h ASP 43 Ca -0.16 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.89 1wis h ASP 43 Cb 1.05 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.50 1wis h ASP 43 CO 0.45 0.30 0.00 0.61 -1.72 0.00 0.00 179.24 178.88 1wis n GLY 44 N -1.21 1.82 2.64 2.75 0.00 -1.26 -3.56 105.19 106.37 1wis n GLY 44 Ca 0.01 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.73 -3.36 -3.28 1.61 5.02 -1.26 -3.17 118.16 112.98 1wis n LYS 45 Ca 0.00 0.68 0.03 0.00 -2.02 0.00 0.00 58.31 57.00 1wis n LYS 45 Cb 0.00 -5.05 -0.03 0.00 -0.02 0.00 0.00 35.03 29.93 1wis n LYS 45 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1wis s THR 46 N -2.98 -0.51 0.54 -0.18 -1.32 -1.26 -4.89 115.64 105.04 1wis s THR 46 Ca 0.20 0.00 -0.18 0.00 -1.21 0.00 0.00 61.69 60.50 1wis s THR 46 Cb -0.09 -1.00 -0.11 0.00 -1.51 0.00 0.00 72.50 69.79 1wis s THR 46 CO 0.25 0.00 0.32 -1.20 -2.21 0.00 0.00 174.62 171.78 1wis n SER 47 N 5.21 -1.86 -4.75 8.08 7.64 -1.26 -4.86 113.62 121.82 1wis n SER 47 Ca -0.07 0.72 -0.41 0.00 1.01 0.00 0.00 58.87 60.12 1wis n SER 47 Cb 0.53 -1.07 -0.03 0.00 -1.01 0.00 0.00 64.21 62.63 1wis n SER 47 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1wis s ILE 48 N -1.79 3.31 0.03 0.44 -1.09 -1.26 -4.79 121.20 116.05 1wis s ILE 48 Ca 0.65 1.21 0.02 0.00 -2.23 0.00 0.00 60.65 60.30 1wis s ILE 48 Cb -0.47 -3.77 -0.25 0.00 -1.58 0.00 0.00 42.46 36.38 1wis s ILE 48 CO 0.58 0.25 0.97 -1.28 -1.23 0.00 0.00 174.94 174.23 1wis h SER 49 N 4.33 0.22 -3.21 3.58 0.87 0.10 -3.38 113.55 116.06 1wis h SER 49 Ca -0.46 -0.30 0.06 0.00 -1.23 0.00 0.00 61.79 59.86 1wis h SER 49 Cb 1.22 -0.07 -0.26 0.00 -0.44 0.00 0.00 62.40 62.84 1wis h SER 49 CO 0.70 1.24 0.45 -0.60 -0.53 0.00 0.00 176.83 178.09 1wis s ARG 50 N -2.64 0.51 -0.18 2.24 3.00 -1.14 -2.33 118.95 118.40 1wis s ARG 50 Ca -0.05 0.61 -0.13 0.00 -1.00 0.00 0.00 55.73 55.16 1wis s ARG 50 Cb 0.08 0.25 -0.05 0.00 0.00 0.00 0.00 34.95 35.23 1wis s ARG 50 CO 0.84 -0.06 0.24 -1.58 0.00 0.00 0.00 175.30 174.75 1wis s TRP 51 N 0.25 3.42 -0.01 5.12 0.52 0.18 -2.19 118.94 126.23 1wis s TRP 51 Ca 0.03 0.49 -0.05 0.00 0.02 0.00 0.00 56.10 56.59 1wis s TRP 51 Cb -0.05 -2.30 -0.04 0.00 -1.15 0.00 0.00 33.47 29.92 1wis s TRP 51 CO -0.06 0.21 0.23 -1.17 0.02 0.00 0.00 176.95 176.17 1wis s LEU 52 N 0.58 4.37 -0.23 2.99 2.96 -0.29 -0.28 118.68 128.78 1wis s LEU 52 Ca 0.13 0.46 -0.04 0.00 -0.22 0.00 0.00 54.13 54.47 1wis s LEU 52 Cb -0.13 -2.62 0.08 0.00 0.50 0.00 0.00 46.19 44.02 1wis s LEU 52 CO 0.03 0.26 0.09 -0.69 -1.32 0.00 0.00 176.35 174.72 1wis s VAL 53 N -1.30 0.21 0.47 1.68 1.01 0.12 -2.22 120.40 120.37 1wis s VAL 53 Ca 0.27 -0.62 0.06 0.00 0.00 0.00 0.00 61.98 61.70 1wis s VAL 53 Cb -0.13 -0.97 0.03 0.00 0.00 0.00 0.00 36.38 35.31 1wis s VAL 53 CO 0.16 -0.45 0.65 -1.61 0.00 0.00 0.00 175.10 173.85 1wis s GLU 54 N 1.98 2.68 0.07 2.72 2.02 -1.26 -0.92 118.70 125.99 1wis s GLU 54 Ca 0.04 -1.17 -0.27 0.00 0.02 0.00 0.00 54.97 53.59 1wis s GLU 54 Cb -0.16 -2.68 0.08 0.00 0.10 0.00 0.00 34.13 31.47 1wis s GLU 54 CO -0.19 -0.46 0.90 0.00 0.02 0.00 0.00 175.26 175.52 1wis s ALA 55 N -2.50 -1.74 0.27 5.21 0.00 -0.95 -1.95 121.76 120.11 1wis s ALA 55 Ca 0.57 0.62 0.09 0.00 0.00 0.00 0.00 51.96 53.24 1wis s ALA 55 Cb -0.10 0.54 -0.05 0.00 0.00 0.00 0.00 23.12 23.51 1wis s ALA 55 CO 0.35 -0.84 -0.14 -0.65 0.00 0.00 0.00 175.76 174.48 1wis s GLN 56 N -3.23 1.58 -0.19 0.00 -0.21 -1.16 -3.63 119.66 112.82 1wis s GLN 56 Ca 0.08 -1.75 -0.11 0.00 0.02 0.00 0.00 55.36 53.59 1wis s GLN 56 Cb -0.01 -1.47 -0.05 0.00 1.00 0.00 0.00 33.01 32.48 1wis s GLN 56 CO -0.05 0.21 0.19 0.08 -2.12 0.00 0.00 175.29 173.60 1wis s VAL 57 N -2.74 5.37 0.00 1.09 1.01 -1.26 -3.52 120.40 120.35 1wis s VAL 57 Ca 0.28 0.31 0.00 0.00 0.00 0.00 0.00 61.98 62.57 1wis s VAL 57 Cb -0.01 -3.53 0.00 0.00 0.00 0.00 0.00 36.38 32.84 1wis s VAL 57 CO 0.12 0.41 0.00 0.61 0.00 0.00 0.00 175.10 176.25 1wis n GLY 58 N 3.53 0.53 3.36 4.51 0.00 -0.48 -4.37 105.19 112.27 1wis n GLY 58 Ca -0.14 0.60 -0.53 0.00 0.00 0.00 0.00 46.02 45.95 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 0.03 -3.37 1.61 0.31 -1.26 -4.73 118.33 110.92 1wis n VAL 59 Ca 0.00 -0.08 -0.43 0.00 -0.01 0.00 0.00 64.34 63.82 1wis n VAL 59 Cb 0.00 -0.82 -0.01 0.00 -0.91 0.00 0.00 33.84 32.10 1wis n VAL 59 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1wis n VAL 60 N 6.94 4.33 0.00 2.52 0.31 -1.26 -4.75 118.33 126.41 1wis n VAL 60 Ca 0.54 -5.39 0.00 0.00 -0.01 0.00 0.00 64.34 59.48 1wis n VAL 60 Cb 0.05 -2.49 0.00 0.00 -0.91 0.00 0.00 33.84 30.49 1wis n VAL 60 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1wis n GLY 61 N 2.44 -0.67 3.72 2.92 0.00 -1.26 -5.13 105.19 107.20 1wis n GLY 61 Ca 0.24 -0.43 -0.35 0.00 0.00 0.00 0.00 46.02 45.48 1wis n GLY 61 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1wis s GLU 62 N -1.12 2.13 0.00 1.61 1.03 -1.26 -3.07 118.70 118.01 1wis s GLU 62 Ca 0.00 1.84 0.00 0.00 0.03 0.00 0.00 54.97 56.84 1wis s GLU 62 Cb 0.00 -1.82 0.00 0.00 -0.80 0.00 0.00 34.13 31.51 1wis s GLU 62 CO 0.00 -1.86 0.00 0.41 -1.33 0.00 0.00 175.26 172.48 1wis n GLY 63 N 0.54 3.00 3.57 -3.83 0.00 -1.26 -5.01 105.19 102.20 1wis n GLY 63 Ca 0.14 -0.21 -0.25 0.00 0.00 0.00 0.00 46.02 45.70 1wis n GLY 63 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wis s GLU 64 N 0.00 2.05 0.49 1.61 0.41 -1.18 -5.15 118.70 116.93 1wis s GLU 64 Ca 0.00 -1.43 0.06 0.00 -0.41 0.00 0.00 54.97 53.19 1wis s GLU 64 Cb 0.00 -2.07 0.06 0.00 -1.78 0.00 0.00 34.13 30.35 1wis s GLU 64 CO 0.00 0.39 0.54 -0.85 -0.49 0.00 0.00 175.26 174.85 1wis n GLU 65 N -0.43 0.72 -3.97 1.61 0.28 -1.26 -4.84 120.64 112.74 1wis n GLU 65 Ca -0.08 -2.80 -0.31 0.00 -0.16 0.00 0.00 57.16 53.81 1wis n GLU 65 Cb 0.58 0.03 -0.15 0.00 1.43 0.00 0.00 31.44 33.32 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 -2.20 2.83 0.29 -1.84 0.52 -1.26 -4.67 118.94 112.60 1wis s TRP 66 Ca 0.41 -2.14 0.09 0.00 0.02 0.00 0.00 56.10 54.48 1wis s TRP 66 Cb -0.03 -1.93 -0.04 0.00 -1.15 0.00 0.00 33.47 30.32 1wis s TRP 66 CO 0.26 -0.84 0.06 -0.51 0.02 0.00 0.00 176.95 175.93 1wis s LEU 67 N 1.24 3.27 0.53 2.99 1.43 -1.24 -4.92 118.68 121.98 1wis s LEU 67 Ca -0.03 -0.65 -0.19 0.00 -1.03 0.00 0.00 54.13 52.24 1wis s LEU 67 Cb -0.19 -1.77 -0.06 0.00 0.03 0.00 0.00 46.19 44.19 1wis s LEU 67 CO -0.08 -0.09 1.06 -0.22 0.23 0.00 0.00 176.35 177.25 1wis s LEU 68 N -3.74 3.72 0.00 1.79 2.96 -1.26 -2.23 118.68 119.92 1wis s LEU 68 Ca 0.33 1.92 0.00 0.00 -0.22 0.00 0.00 54.13 56.17 1wis s LEU 68 Cb -0.05 -4.55 0.00 0.00 0.50 0.00 0.00 46.19 42.08 1wis s LEU 68 CO 0.21 -0.97 0.00 2.30 -1.32 0.00 0.00 176.35 176.57 1wis n ILE 69 N -1.37 0.00 -4.13 6.68 -5.35 -0.10 -4.88 119.36 110.22 1wis n ILE 69 Ca 0.09 0.00 -0.15 0.00 -0.27 0.00 0.00 62.75 62.42 1wis n ILE 69 Cb 0.52 -0.39 -0.14 0.00 -1.74 0.00 0.00 39.64 37.89 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 -1.57 0.48 -0.07 4.28 5.04 -0.85 -5.00 115.29 117.60 1wis s HIS 70 Ca 0.00 -0.16 -0.05 0.00 -1.54 0.00 0.00 55.06 53.32 1wis s HIS 70 Cb 0.00 -0.30 0.03 0.00 0.04 0.00 0.00 32.58 32.35 1wis s HIS 70 CO 0.00 -0.02 0.17 1.14 -2.34 0.00 0.00 174.74 173.69 1wis s GLN 71 N -0.38 0.16 -0.33 2.88 -2.07 -1.26 0.11 119.66 118.77 1wis s GLN 71 Ca -0.00 0.32 -0.09 0.00 -1.82 0.00 0.00 55.36 53.78 1wis s GLN 71 Cb -0.03 -0.04 0.02 0.00 -1.09 0.00 0.00 33.01 31.87 1wis s GLN 71 CO -0.00 -0.09 0.14 -1.17 -1.32 0.00 0.00 175.29 172.84 1wis s LEU 72 N 0.65 4.23 0.07 2.60 2.96 0.62 -4.91 118.68 124.91 1wis s LEU 72 Ca -0.05 -0.82 -0.01 0.00 -0.22 0.00 0.00 54.13 53.03 1wis s LEU 72 Cb -0.06 -1.95 -0.04 0.00 0.50 0.00 0.00 46.19 44.64 1wis s LEU 72 CO -0.03 -0.27 0.25 -0.94 -1.32 0.00 0.00 176.35 174.03 1wis s SER 73 N 1.52 6.39 -0.28 3.68 1.04 -1.26 0.52 113.70 125.31 1wis s SER 73 Ca 0.02 0.35 -0.18 0.00 0.48 0.00 0.00 55.95 56.62 1wis s SER 73 Cb -0.18 -1.99 0.03 0.00 0.10 0.00 0.00 66.02 63.97 1wis s SER 73 CO 0.05 0.15 0.36 0.59 0.98 0.00 0.00 173.24 175.36 1wis n ASN 74 N 0.30 -6.55 0.00 7.02 4.13 -0.98 -4.97 115.26 114.21 1wis n ASN 74 Ca -0.05 0.34 0.00 0.00 1.68 0.00 0.00 54.58 56.55 1wis n ASN 74 Cb 0.51 -2.68 0.00 0.00 -1.54 0.00 0.00 39.78 36.07 1wis n ASN 74 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1wis n GLU 75 N 0.39 0.00 0.00 3.52 1.02 -1.26 -5.01 120.64 119.30 1wis n GLU 75 Ca -0.02 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.24 1wis n GLU 75 Cb 0.50 0.00 0.68 0.00 -0.02 0.00 0.00 31.44 32.61 1wis n GLU 75 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1wis n PRO 76 N 0.00 0.67 -2.46 3.49 -0.04 -1.26 -3.26 135.00 132.14 1wis n PRO 76 Ca 0.00 0.01 -0.30 0.00 -0.04 0.00 0.00 63.50 63.17 1wis n PRO 76 Cb 0.00 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 1wis n PRO 76 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1wis n ASP 77 N -1.06 5.32 -3.72 3.54 9.92 -1.26 -4.85 116.55 124.45 1wis n ASP 77 Ca 0.17 -3.74 -0.30 0.00 -0.53 0.00 0.00 54.79 50.39 1wis n ASP 77 Cb 0.10 -0.62 -0.14 0.00 -0.64 0.00 0.00 41.12 39.82 1wis n ASP 77 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1wis s ALA 78 N -3.67 1.90 0.36 2.24 0.00 -1.20 -4.95 121.76 116.43 1wis s ALA 78 Ca 0.48 -2.22 0.13 0.00 0.00 0.00 0.00 51.96 50.35 1wis s ALA 78 Cb 0.38 -1.78 0.68 0.00 0.00 0.00 0.00 23.12 22.40 1wis s ALA 78 CO -0.22 -1.90 1.80 0.00 0.00 0.00 0.00 175.76 175.43 1wis h ARG 79 N 7.29 0.00 -4.07 0.00 2.47 -1.91 -3.45 114.38 114.71 1wis h ARG 79 Ca -0.05 0.00 -0.12 0.00 -1.26 0.00 0.00 59.98 58.55 1wis h ARG 79 Cb 0.97 0.00 -0.14 0.00 -1.65 0.00 0.00 29.97 29.14 1wis h ARG 79 CO 0.47 0.40 -0.52 -1.54 0.56 0.00 0.00 179.97 179.34 1wis s SER 80 N -6.90 0.28 0.08 7.04 1.04 -1.26 -2.60 113.70 111.38 1wis s SER 80 Ca -0.03 -0.89 -0.26 0.00 0.48 0.00 0.00 55.95 55.25 1wis s SER 80 Cb 0.14 0.29 0.07 0.00 0.10 0.00 0.00 66.02 66.63 1wis s SER 80 CO 0.73 -0.70 0.66 0.00 0.98 0.00 0.00 173.24 174.91 1wis s MET 81 N -3.92 1.16 0.11 4.02 0.23 -1.12 -5.02 119.30 114.76 1wis s MET 81 Ca 0.10 -0.25 -0.25 0.00 -1.03 0.00 0.00 55.69 54.27 1wis s MET 81 Cb 0.06 0.54 -0.07 0.00 -1.53 0.00 0.00 34.83 33.83 1wis s MET 81 CO -0.07 -0.47 0.75 -2.00 -2.03 0.00 0.00 175.02 171.20 1wis s GLU 82 N -2.96 4.51 -0.54 3.16 2.12 -1.26 -1.94 118.70 121.79 1wis s GLU 82 Ca -0.02 1.08 -0.01 0.00 0.36 0.00 0.00 54.97 56.38 1wis s GLU 82 Cb -0.01 -3.29 0.14 0.00 0.26 0.00 0.00 34.13 31.23 1wis s GLU 82 CO -0.06 0.48 0.33 0.08 -0.54 0.00 0.00 175.26 175.54 1wis s VAL 83 N -0.76 3.34 0.00 3.70 1.01 0.88 -4.94 120.40 123.64 1wis s VAL 83 Ca 0.36 -2.74 0.00 0.00 0.00 0.00 0.00 61.98 59.60 1wis s VAL 83 Cb -0.22 -3.24 0.00 0.00 0.00 0.00 0.00 36.38 32.92 1wis s VAL 83 CO 0.24 -0.80 0.00 -0.81 0.00 0.00 0.00 175.10 173.73 1wis n PRO 84 N 3.76 0.58 -3.70 2.72 -0.04 -1.26 -2.58 135.00 134.49 1wis n PRO 84 Ca 0.05 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.22 1wis n PRO 84 Cb 0.38 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.85 1wis n PRO 84 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1wis n ASP 85 N -0.84 -5.08 -4.30 3.54 9.92 -0.91 -4.79 116.55 114.09 1wis n ASP 85 Ca 0.00 -0.71 -0.20 0.00 -0.53 0.00 0.00 54.79 53.35 1wis n ASP 85 Cb 0.00 -1.70 -0.11 0.00 -0.64 0.00 0.00 41.12 38.67 1wis n ASP 85 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1wis s LEU 86 N -4.18 2.43 -0.26 0.64 1.43 0.24 -5.00 118.68 113.98 1wis s LEU 86 Ca 0.12 -0.86 -0.23 0.00 -1.03 0.00 0.00 54.13 52.14 1wis s LEU 86 Cb -0.01 -0.73 -0.01 0.00 0.03 0.00 0.00 46.19 45.47 1wis s LEU 86 CO 0.89 -0.08 0.74 0.20 0.23 0.00 0.00 176.35 178.33 1wis s ASN 87 N -2.64 6.70 0.68 2.29 -0.87 -1.26 -4.54 114.94 115.30 1wis s ASN 87 Ca 0.14 0.83 -0.11 0.00 -1.57 0.00 0.00 52.86 52.15 1wis s ASN 87 Cb -0.05 -2.39 0.00 0.00 -0.02 0.00 0.00 41.25 38.79 1wis s ASN 87 CO 0.05 -0.48 1.06 -2.16 -2.57 0.00 0.00 177.10 173.00 1wis s PRO 88 N 2.73 3.00 -1.63 -0.60 0.04 -1.25 -3.72 135.00 133.57 1wis s PRO 88 Ca 0.31 0.98 -0.11 0.00 0.04 0.00 0.00 61.00 62.21 1wis s PRO 88 Cb -0.15 -2.00 0.11 0.00 0.04 0.00 0.00 34.50 32.51 1wis s PRO 88 CO 0.09 -1.05 0.28 0.34 0.04 0.00 0.00 177.00 176.70 1wis n PHE 89 N -2.99 -1.14 -3.76 0.56 7.35 -0.94 -4.90 117.46 111.64 1wis n PHE 89 Ca 0.08 0.61 -0.13 0.00 -0.76 0.00 0.00 57.45 57.25 1wis n PHE 89 Cb 0.53 -2.20 -0.13 0.00 0.35 0.00 0.00 39.48 38.04 1wis n PHE 89 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 1wis s THR 90 N -3.72 -0.02 -0.26 -2.13 2.01 -1.24 -4.99 115.64 105.28 1wis s THR 90 Ca 0.40 0.09 -0.29 0.00 0.31 0.00 0.00 61.69 62.20 1wis s THR 90 Cb -0.23 -0.34 -0.01 0.00 0.01 0.00 0.00 72.50 71.93 1wis s THR 90 CO 0.96 0.04 1.35 0.00 -0.69 0.00 0.00 174.62 176.28 1wis s TYR 92 N 4.37 0.92 0.37 0.00 1.51 -1.25 -1.38 117.35 121.88 1wis s TYR 92 Ca 0.59 -0.74 0.08 0.00 -1.01 0.00 0.00 57.07 55.99 1wis s TYR 92 Cb -0.19 -0.52 -0.07 0.00 -0.11 0.00 0.00 41.96 41.07 1wis s TYR 92 CO 0.23 -0.08 -0.04 0.45 -1.11 0.00 0.00 175.55 175.00 1wis s SER 93 N -2.56 3.85 -0.05 2.29 0.15 -1.23 -4.13 113.70 112.02 1wis s SER 93 Ca 0.06 -1.24 -0.16 0.00 0.70 0.00 0.00 55.95 55.31 1wis s SER 93 Cb -0.01 -0.39 0.03 0.00 -1.71 0.00 0.00 66.02 63.95 1wis s SER 93 CO -0.02 -0.31 0.35 -0.36 1.20 0.00 0.00 173.24 174.11 1wis s PHE 94 N -2.64 -0.27 0.02 3.44 0.08 -1.26 -3.01 117.98 114.34 1wis s PHE 94 Ca 0.34 0.51 0.00 0.00 0.12 0.00 0.00 56.93 57.90 1wis s PHE 94 Cb 0.05 0.13 -0.00 0.00 -0.57 0.00 0.00 43.02 42.63 1wis s PHE 94 CO 0.18 -0.36 0.01 2.89 -0.10 0.00 0.00 175.22 177.83 1wis n ARG 95 N 1.62 0.93 -4.27 0.44 1.85 -0.82 -1.38 116.66 115.02 1wis n ARG 95 Ca -0.19 -0.17 -0.15 0.00 -1.00 0.00 0.00 57.85 56.34 1wis n ARG 95 Cb 0.56 0.09 -0.10 0.00 -1.05 0.00 0.00 32.46 31.96 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 -2.08 1.16 -0.22 2.89 -1.94 -1.26 -4.00 119.30 113.86 1wis s MET 96 Ca 0.01 -1.55 -0.27 0.00 -1.71 0.00 0.00 55.69 52.17 1wis s MET 96 Cb 0.00 -0.52 0.13 0.00 2.01 0.00 0.00 34.83 36.44 1wis s MET 96 CO 0.01 -0.04 1.02 1.03 -0.01 0.00 0.00 175.02 177.03 1wis s ARG 97 N -3.83 0.54 0.10 2.03 0.52 -0.94 -3.08 118.95 114.29 1wis s ARG 97 Ca 0.22 0.37 0.08 0.00 -0.52 0.00 0.00 55.73 55.88 1wis s ARG 97 Cb 0.05 0.26 -0.04 0.00 0.52 0.00 0.00 34.95 35.74 1wis s ARG 97 CO 0.04 -0.12 -0.14 -0.65 0.02 0.00 0.00 175.30 174.46 1wis s GLN 98 N -0.42 2.00 -0.04 3.54 -0.21 -1.26 -1.14 119.66 122.13 1wis s GLN 98 Ca 0.01 -1.08 0.00 0.00 0.02 0.00 0.00 55.36 54.32 1wis s GLN 98 Cb -0.03 -2.23 0.03 0.00 1.00 0.00 0.00 33.01 31.78 1wis s GLN 98 CO -0.03 0.50 -0.01 0.08 -2.12 0.00 0.00 175.29 173.71 1wis s VAL 99 N -1.17 0.32 0.36 1.09 1.01 -0.93 -2.30 120.40 118.79 1wis s VAL 99 Ca 0.20 0.03 0.06 0.00 0.00 0.00 0.00 61.98 62.26 1wis s VAL 99 Cb -0.11 -0.40 -0.02 0.00 0.00 0.00 0.00 36.38 35.85 1wis s VAL 99 CO 0.12 0.19 0.21 -0.46 0.00 0.00 0.00 175.10 175.16 1wis n ASN 100 N 4.27 0.24 0.19 3.32 6.94 -0.86 0.15 115.26 129.50 1wis n ASN 100 Ca -0.23 -3.16 0.11 0.00 -0.02 0.00 0.00 54.58 51.29 1wis n ASN 100 Cb 0.50 1.34 0.61 0.00 -2.36 0.00 0.00 39.78 39.88 1wis n ASN 100 CO 0.00 0.00 0.00 -0.29 -1.03 0.00 0.00 177.26 175.94 1wis h ILE 101 N 1.87 0.00 0.00 1.53 6.09 -1.93 -3.00 117.51 122.07 1wis h ILE 101 Ca -0.27 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.22 1wis h ILE 101 Cb 1.19 0.50 0.00 0.00 0.47 0.00 0.00 36.82 38.98 1wis h ILE 101 CO 0.42 0.00 0.00 0.52 -3.07 0.00 0.00 178.15 176.02 1wis n VAL 102 N -2.32 0.00 -2.50 2.19 0.31 -1.26 -5.05 118.33 109.70 1wis n VAL 102 Ca -0.01 0.21 0.00 0.00 -0.01 0.00 0.00 64.34 64.53 1wis n VAL 102 Cb 0.10 -0.60 0.00 0.00 -0.91 0.00 0.00 33.84 32.43 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 2.24 2.15 3.19 2.92 0.00 -1.13 -4.79 105.19 109.76 1wis n GLY 103 Ca 0.00 -0.75 -0.35 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.69 3.03 1.13 2.61 2.01 -1.26 -2.03 115.64 118.44 1wis s THR 104 Ca 0.00 -1.23 -0.16 0.00 0.31 0.00 0.00 61.69 60.60 1wis s THR 104 Cb 0.00 -2.67 0.17 0.00 0.01 0.00 0.00 72.50 70.00 1wis s THR 104 CO 0.00 -0.01 0.36 -1.54 -0.69 0.00 0.00 174.62 172.74 1wis n SER 105 N 4.65 -2.15 -4.37 3.53 3.41 -0.97 -4.99 113.62 112.74 1wis n SER 105 Ca -0.14 -0.12 -0.29 0.00 -0.26 0.00 0.00 58.87 58.05 1wis n SER 105 Cb 0.45 -1.07 0.17 0.00 -0.26 0.00 0.00 64.21 63.50 1wis n SER 105 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1wis s PRO 106 N -3.77 0.41 0.22 4.33 0.04 -1.26 -4.72 135.00 130.24 1wis s PRO 106 Ca 0.60 0.02 -0.30 0.00 0.04 0.00 0.00 61.00 61.36 1wis s PRO 106 Cb -0.17 -1.78 -0.08 0.00 0.04 0.00 0.00 34.50 32.51 1wis s PRO 106 CO 0.66 -2.64 1.10 -1.25 0.04 0.00 0.00 177.00 174.91 1wis s PRO 107 N -5.47 4.61 0.41 0.56 0.04 -1.26 -4.77 135.00 129.12 1wis s PRO 107 Ca 0.68 1.75 0.01 0.00 0.04 0.00 0.00 61.00 63.49 1wis s PRO 107 Cb -0.11 -3.24 -0.01 0.00 0.04 0.00 0.00 34.50 31.18 1wis s PRO 107 CO 0.54 0.13 0.62 0.45 0.04 0.00 0.00 177.00 178.77 1wis s SER 108 N -0.40 5.97 0.07 6.66 0.15 -1.18 -5.01 113.70 119.97 1wis s SER 108 Ca 0.48 0.29 -0.37 0.00 0.70 0.00 0.00 55.95 57.04 1wis s SER 108 Cb -0.30 -1.64 -0.17 0.00 -1.71 0.00 0.00 66.02 62.20 1wis s SER 108 CO 0.37 -0.57 1.34 0.00 1.20 0.00 0.00 173.24 175.58 1wis n GLN 109 N -1.96 1.10 -1.67 5.44 6.02 -1.26 -4.47 117.38 120.59 1wis n GLN 109 Ca -0.00 0.40 -0.31 0.00 -0.01 0.00 0.00 57.00 57.07 1wis n GLN 109 Cb 0.57 -2.04 0.04 0.00 1.02 0.00 0.00 30.24 29.84 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 0.54 3.02 0.76 -1.09 0.04 -1.26 -4.72 135.00 132.29 1wis s PRO 110 Ca 0.85 1.00 -0.11 0.00 0.04 0.00 0.00 61.00 62.77 1wis s PRO 110 Cb -0.97 -2.00 0.05 0.00 0.04 0.00 0.00 34.50 31.62 1wis s PRO 110 CO 0.48 -1.03 1.10 -1.54 0.04 0.00 0.00 177.00 176.04 1wis s SER 111 N -3.61 4.90 1.02 6.66 1.04 -0.48 -4.98 113.70 118.25 1wis s SER 111 Ca 0.59 1.23 -0.12 0.00 0.48 0.00 0.00 55.95 58.14 1wis s SER 111 Cb -0.14 -1.99 0.20 0.00 0.10 0.00 0.00 66.02 64.18 1wis s SER 111 CO 0.52 -1.70 1.08 0.00 0.98 0.00 0.00 173.24 174.11 1wis s ARG 112 N -5.24 0.23 -0.12 4.02 1.70 -1.26 -4.64 118.95 113.64 1wis s ARG 112 Ca 0.60 1.01 -0.29 0.00 -0.47 0.00 0.00 55.73 56.58 1wis s ARG 112 Cb -0.13 -1.68 -0.03 0.00 -0.57 0.00 0.00 34.95 32.54 1wis s ARG 112 CO 0.53 -3.00 1.43 0.21 -1.08 0.00 0.00 175.30 173.39 1wis s LYS 113 N -4.66 4.21 0.37 3.89 2.20 -1.26 -4.89 119.74 119.59 1wis s LYS 113 Ca 0.66 1.88 0.09 0.00 -0.36 0.00 0.00 55.97 58.24 1wis s LYS 113 Cb -0.22 -3.86 -0.07 0.00 -1.51 0.00 0.00 37.83 32.17 1wis s LYS 113 CO 0.60 -0.77 -0.06 0.96 -0.36 0.00 0.00 175.35 175.72 1wis s ILE 114 N 3.74 2.17 -0.15 5.43 -5.25 -1.26 -5.07 121.20 120.82 1wis s ILE 114 Ca 0.62 -2.13 0.02 0.00 -0.99 0.00 0.00 60.65 58.17 1wis s ILE 114 Cb -0.26 -2.77 0.02 0.00 2.95 0.00 0.00 42.46 42.40 1wis s ILE 114 CO 0.21 -0.14 -0.19 -1.58 -1.79 0.00 0.00 174.94 171.45 1wis s GLN 115 N -3.65 2.76 0.49 0.37 0.74 -1.26 -3.95 119.66 115.16 1wis s GLN 115 Ca 0.33 -0.75 -0.16 0.00 0.05 0.00 0.00 55.36 54.83 1wis s GLN 115 Cb 0.05 -2.33 -0.08 0.00 1.10 0.00 0.00 33.01 31.74 1wis s GLN 115 CO 0.17 -0.12 0.95 0.95 -0.55 0.00 0.00 175.29 176.69 1wis s THR 116 N 1.10 4.55 1.27 -0.34 -4.23 -1.26 -4.96 115.64 111.77 1wis s THR 116 Ca -0.01 1.17 -0.20 0.00 -1.18 0.00 0.00 61.69 61.47 1wis s THR 116 Cb -0.14 -3.70 0.31 0.00 1.34 0.00 0.00 72.50 70.30 1wis s THR 116 CO -0.07 -0.61 1.05 -0.76 -0.54 0.00 0.00 174.62 173.70 1wis s LEU 117 N -3.91 0.17 0.93 4.79 1.43 -0.71 -2.63 118.68 118.76 1wis s LEU 117 Ca 0.58 0.72 -0.13 0.00 -1.03 0.00 0.00 54.13 54.27 1wis s LEU 117 Cb -0.10 -2.36 0.15 0.00 0.03 0.00 0.00 46.19 43.91 1wis s LEU 117 CO 0.29 -4.50 1.17 -1.10 0.23 0.00 0.00 176.35 172.43 1wis s GLN 118 N -5.28 0.96 -0.37 1.70 -1.52 -1.26 -2.22 119.66 111.67 1wis s GLN 118 Ca 0.70 0.14 -0.15 0.00 -1.95 0.00 0.00 55.36 54.09 1wis s GLN 118 Cb -0.11 -1.83 -0.00 0.00 -0.22 0.00 0.00 33.01 30.84 1wis s GLN 118 CO 0.57 -2.29 0.37 0.45 -0.25 0.00 0.00 175.29 174.14 1wis s SER 119 N -4.21 6.17 0.00 5.90 0.15 -1.26 -4.60 113.70 115.85 1wis s SER 119 Ca 0.66 -0.40 0.00 0.00 0.70 0.00 0.00 55.95 56.90 1wis s SER 119 Cb -0.12 -2.20 0.00 0.00 -1.71 0.00 0.00 66.02 61.99 1wis s SER 119 CO 0.53 -0.40 0.00 0.61 1.20 0.00 0.00 173.24 175.18 1wis n GLY 120 N 5.02 3.14 3.79 9.45 0.00 -1.26 -5.12 105.19 120.21 1wis n GLY 120 Ca -0.09 -1.82 -0.29 0.00 0.00 0.00 0.00 46.02 43.82 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 -2.08 1.33 0.30 1.61 0.04 -1.26 -4.99 135.00 129.95 1wis s PRO 121 Ca 0.00 0.36 0.00 0.00 0.04 0.00 0.00 61.00 61.40 1wis s PRO 121 Cb 0.00 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.69 1wis s PRO 121 CO 0.00 -2.08 0.00 0.43 0.04 0.00 0.00 177.00 175.39 1wis n SER 122 N -3.70 -2.22 -4.87 6.66 7.64 -1.26 -5.12 113.62 110.74 1wis n SER 122 Ca 0.07 0.57 -0.33 0.00 1.01 0.00 0.00 58.87 60.18 1wis n SER 122 Cb 0.59 2.21 -0.05 0.00 -1.01 0.00 0.00 64.21 65.95 1wis n SER 122 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wis s SER 123 N -2.86 6.66 0.00 6.43 0.01 -1.26 -5.33 113.70 117.35 1wis s SER 123 Ca 0.00 0.90 0.00 0.00 1.31 0.00 0.00 55.95 58.16 1wis s SER 123 Cb 0.00 -2.22 0.00 0.00 0.21 0.00 0.00 66.02 64.01 1wis s SER 123 CO 0.00 0.02 0.00 0.61 0.41 0.00 0.00 173.24 174.28