#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 -0.99 0.10 1.61 1.04 -1.26 -5.17 113.70 109.04 1wis s SER 2 Ca 0.00 1.49 0.04 0.00 0.48 0.00 0.00 55.95 57.96 1wis s SER 2 Cb 0.00 1.67 -0.04 0.00 0.10 0.00 0.00 66.02 67.75 1wis s SER 2 CO 0.00 -0.23 0.06 -0.94 0.98 0.00 0.00 173.24 173.11 1wis s SER 3 N 2.03 5.33 0.01 7.02 1.04 -1.26 -5.12 113.70 122.75 1wis s SER 3 Ca -0.09 -0.10 0.07 0.00 0.48 0.00 0.00 55.95 56.32 1wis s SER 3 Cb -0.07 -1.36 -0.03 0.00 0.10 0.00 0.00 66.02 64.66 1wis s SER 3 CO -0.19 0.16 -0.20 -0.83 0.98 0.00 0.00 173.24 173.15 1wis s GLY 4 N -2.47 1.47 0.17 7.32 0.00 -1.26 -5.13 107.32 107.41 1wis s GLY 4 Ca 0.28 -1.14 0.08 0.00 0.00 0.00 0.00 44.72 43.94 1wis s GLY 4 CO 0.21 -0.98 -0.04 -0.56 0.00 0.00 0.00 173.10 171.73 1wis s SER 5 N -1.06 4.58 -0.45 1.64 0.01 -1.26 -5.10 113.70 112.07 1wis s SER 5 Ca 0.12 -0.45 0.03 0.00 1.31 0.00 0.00 55.95 56.97 1wis s SER 5 Cb -0.10 -0.91 0.12 0.00 0.21 0.00 0.00 66.02 65.34 1wis s SER 5 CO 0.02 0.10 0.21 -0.44 0.41 0.00 0.00 173.24 173.54 1wis s SER 6 N -2.82 4.14 0.62 2.44 0.01 -1.26 -5.05 113.70 111.77 1wis s SER 6 Ca 0.26 -2.64 0.00 0.00 1.31 0.00 0.00 55.95 54.88 1wis s SER 6 Cb -0.09 -1.37 0.00 0.00 0.21 0.00 0.00 66.02 64.76 1wis s SER 6 CO 0.17 -0.28 0.00 0.61 0.41 0.00 0.00 173.24 174.15 1wis n GLY 7 N 3.57 -3.77 3.66 3.44 0.00 -1.26 -4.75 105.19 106.08 1wis n GLY 7 Ca 0.05 -0.94 -0.42 0.00 0.00 0.00 0.00 46.02 44.71 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 -4.92 4.79 -0.09 2.61 -4.23 -1.26 -5.03 115.64 107.51 1wis s THR 8 Ca 0.00 1.75 0.00 0.00 -1.18 0.00 0.00 61.69 62.26 1wis s THR 8 Cb 0.00 -4.19 -0.03 0.00 1.34 0.00 0.00 72.50 69.62 1wis s THR 8 CO 0.00 -0.08 -0.08 0.27 -0.54 0.00 0.00 174.62 174.19 1wis s ILE 9 N 2.76 3.58 -0.10 2.99 -4.36 -1.26 -5.11 121.20 119.70 1wis s ILE 9 Ca 0.39 -0.51 0.01 0.00 -0.26 0.00 0.00 60.65 60.29 1wis s ILE 9 Cb -0.16 -2.48 0.02 0.00 1.25 0.00 0.00 42.46 41.09 1wis s ILE 9 CO 0.09 0.57 -0.12 -0.44 0.24 0.00 0.00 174.94 175.27 1wis s SER 10 N -0.42 2.16 0.55 4.36 0.01 -1.26 -5.13 113.70 113.98 1wis s SER 10 Ca 0.06 -0.35 -0.18 0.00 1.31 0.00 0.00 55.95 56.78 1wis s SER 10 Cb -0.12 -0.94 -0.05 0.00 0.21 0.00 0.00 66.02 65.12 1wis s SER 10 CO 0.02 -0.02 1.09 -0.44 0.41 0.00 0.00 173.24 174.29 1wis s SER 11 N 1.14 5.83 0.00 2.44 0.01 -1.26 -4.93 113.70 116.93 1wis s SER 11 Ca -0.05 2.02 0.00 0.00 1.31 0.00 0.00 55.95 59.23 1wis s SER 11 Cb -0.14 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.52 1wis s SER 11 CO -0.03 -1.14 0.00 0.61 0.41 0.00 0.00 173.24 173.10 1wis n GLY 12 N -0.25 2.74 3.10 3.44 0.00 -1.26 -5.09 105.19 107.86 1wis n GLY 12 Ca 0.10 -2.08 -0.22 0.00 0.00 0.00 0.00 46.02 43.83 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 -2.38 1.07 0.44 1.61 1.01 -1.26 -5.14 120.40 115.75 1wis s VAL 13 Ca 0.00 -0.58 -0.22 0.00 0.00 0.00 0.00 61.98 61.18 1wis s VAL 13 Cb 0.00 -0.90 -0.09 0.00 0.00 0.00 0.00 36.38 35.40 1wis s VAL 13 CO 0.00 0.30 1.05 -2.16 0.00 0.00 0.00 175.10 174.29 1wis s PRO 14 N -0.31 4.00 0.80 2.72 0.04 -1.26 -5.04 135.00 135.95 1wis s PRO 14 Ca 0.05 1.45 -0.12 0.00 0.04 0.00 0.00 61.00 62.42 1wis s PRO 14 Cb -0.05 -2.34 0.07 0.00 0.04 0.00 0.00 34.50 32.22 1wis s PRO 14 CO -0.00 -0.27 1.10 -1.25 0.04 0.00 0.00 177.00 176.61 1wis s PRO 15 N -2.82 2.04 0.48 0.56 0.04 -1.26 -5.09 135.00 128.95 1wis s PRO 15 Ca 0.62 0.62 0.03 0.00 0.04 0.00 0.00 61.00 62.32 1wis s PRO 15 Cb -0.20 -1.91 -0.03 0.00 0.04 0.00 0.00 34.50 32.40 1wis s PRO 15 CO 0.24 -1.65 0.05 -1.21 0.04 0.00 0.00 177.00 174.48 1wis s GLU 16 N -5.16 2.14 0.54 4.56 2.02 -1.13 -4.88 118.70 116.80 1wis s GLU 16 Ca 0.61 -2.25 -0.17 0.00 0.02 0.00 0.00 54.97 53.18 1wis s GLU 16 Cb -0.14 -1.65 -0.06 0.00 0.10 0.00 0.00 34.13 32.38 1wis s GLU 16 CO 0.54 -0.29 1.02 -0.51 0.02 0.00 0.00 175.26 176.05 1wis s LEU 17 N -3.87 3.63 0.00 1.80 1.43 -1.26 -4.65 118.68 115.75 1wis s LEU 17 Ca 0.18 1.74 -0.03 0.00 -1.03 0.00 0.00 54.13 55.00 1wis s LEU 17 Cb 0.04 -4.53 0.04 0.00 0.03 0.00 0.00 46.19 41.77 1wis s LEU 17 CO 0.10 -0.85 0.19 -0.81 0.23 0.00 0.00 176.35 175.21 1wis n PRO 18 N -1.62 -0.76 -4.44 1.29 -0.04 -1.23 -4.47 135.00 123.73 1wis n PRO 18 Ca 0.08 -0.30 -0.22 0.00 -0.04 0.00 0.00 63.50 63.02 1wis n PRO 18 Cb 0.53 -0.23 -0.10 0.00 -0.04 0.00 0.00 33.50 33.66 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 -3.13 1.83 -0.16 0.55 0.00 0.12 -4.82 107.32 101.70 1wis s GLY 19 Ca 0.11 -1.89 -0.29 0.00 0.00 0.00 0.00 44.72 42.66 1wis s GLY 19 CO 0.08 -1.88 1.27 2.56 0.00 0.00 0.00 173.10 175.14 1wis s PRO 20 N -3.65 4.23 0.42 2.90 0.04 -1.26 -4.53 135.00 133.14 1wis s PRO 20 Ca 0.29 1.67 -0.23 0.00 0.04 0.00 0.00 61.00 62.77 1wis s PRO 20 Cb 0.01 -3.77 -0.09 0.00 0.04 0.00 0.00 34.50 30.69 1wis s PRO 20 CO 0.12 -0.72 1.05 -1.25 0.04 0.00 0.00 177.00 176.25 1wis s PRO 21 N 3.53 4.07 0.00 0.56 0.04 -1.26 -4.64 135.00 137.30 1wis s PRO 21 Ca 0.55 1.48 0.00 0.00 0.04 0.00 0.00 61.00 63.08 1wis s PRO 21 Cb -0.22 -2.43 0.00 0.00 0.04 0.00 0.00 34.50 31.89 1wis s PRO 21 CO 0.15 -0.22 0.00 0.25 0.04 0.00 0.00 177.00 177.22 1wis n THR 22 N -0.30 0.00 -2.42 1.26 -2.24 -1.17 -4.78 114.28 104.64 1wis n THR 22 Ca 0.06 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.66 1wis n THR 22 Cb 0.50 -0.13 -0.00 0.00 -2.10 0.00 0.00 70.33 68.60 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 -0.77 -5.26 -4.74 3.42 4.13 -1.26 -1.97 115.26 108.79 1wis n ASN 23 Ca 0.00 -0.05 -0.41 0.00 1.68 0.00 0.00 54.58 55.80 1wis n ASN 23 Cb 0.00 -4.31 -0.04 0.00 -1.54 0.00 0.00 39.78 33.90 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 -5.24 4.49 -0.22 3.41 2.96 -1.26 -3.94 118.68 118.88 1wis s LEU 24 Ca 0.03 2.21 -0.26 0.00 -0.22 0.00 0.00 54.13 55.89 1wis s LEU 24 Cb -0.01 -3.61 0.07 0.00 0.50 0.00 0.00 46.19 43.14 1wis s LEU 24 CO 0.04 -0.27 0.72 -0.83 -1.32 0.00 0.00 176.35 174.70 1wis s GLY 25 N -0.23 -0.53 -0.39 7.98 0.00 -0.98 -4.99 107.32 108.18 1wis s GLY 25 Ca 0.49 1.90 -0.12 0.00 0.00 0.00 0.00 44.72 46.99 1wis s GLY 25 CO 0.38 1.57 0.24 -0.42 0.00 0.00 0.00 173.10 174.87 1wis s ILE 26 N 0.01 4.70 0.32 0.90 -1.09 -1.26 -2.26 121.20 122.52 1wis s ILE 26 Ca -0.02 -0.91 0.05 0.00 -2.23 0.00 0.00 60.65 57.54 1wis s ILE 26 Cb -0.04 -3.67 -0.06 0.00 -1.58 0.00 0.00 42.46 37.11 1wis s ILE 26 CO 0.03 -0.31 0.03 -0.94 -1.23 0.00 0.00 174.94 172.52 1wis s SER 27 N 1.71 2.56 -1.37 3.58 1.04 -1.06 -4.81 113.70 115.35 1wis s SER 27 Ca 0.03 -1.33 -0.01 0.00 0.48 0.00 0.00 55.95 55.12 1wis s SER 27 Cb -0.20 -0.12 -0.00 0.00 0.10 0.00 0.00 66.02 65.80 1wis s SER 27 CO 0.07 -0.53 0.52 0.59 0.98 0.00 0.00 173.24 174.86 1wis n ASN 28 N -0.68 -0.69 -4.60 7.02 3.02 -1.26 -2.30 115.26 115.77 1wis n ASN 28 Ca -0.03 -0.95 -0.43 0.00 -0.03 0.00 0.00 54.58 53.14 1wis n ASN 28 Cb 0.66 -3.40 -0.02 0.00 -0.61 0.00 0.00 39.78 36.41 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 -3.85 3.81 0.00 2.41 1.01 -1.26 -3.55 121.20 119.76 1wis s ILE 29 Ca 0.01 0.82 0.00 0.00 0.00 0.00 0.00 60.65 61.48 1wis s ILE 29 Cb -0.00 -4.08 0.00 0.00 0.01 0.00 0.00 42.46 38.39 1wis s ILE 29 CO 0.86 -0.68 0.00 0.61 0.00 0.00 0.00 174.94 175.73 1wis n GLY 30 N 5.15 1.32 0.02 6.18 0.00 0.13 -4.64 105.19 113.35 1wis n GLY 30 Ca 0.18 -1.82 -0.00 0.00 0.00 0.00 0.00 46.02 44.38 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 -0.03 -0.08 1.61 0.13 -1.81 -0.72 132.00 131.11 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 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.14 1wis h PRO 31 CO 0.00 -0.02 0.00 0.54 -0.23 0.00 0.00 178.00 178.29 1wis n ARG 32 N -2.28 1.87 -3.78 0.86 1.74 -1.26 -3.85 116.66 109.97 1wis n ARG 32 Ca -0.00 -2.55 -0.13 0.00 -0.77 0.00 0.00 57.85 54.40 1wis n ARG 32 Cb 0.01 -1.55 -0.10 0.00 -1.02 0.00 0.00 32.46 29.81 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 -2.45 -0.20 0.07 0.55 0.01 -1.26 -1.82 113.70 108.60 1wis s SER 33 Ca 0.32 0.22 -0.15 0.00 1.31 0.00 0.00 55.95 57.65 1wis s SER 33 Cb 0.27 0.40 0.02 0.00 0.21 0.00 0.00 66.02 66.92 1wis s SER 33 CO 0.05 -0.31 0.34 0.68 0.41 0.00 0.00 173.24 174.40 1wis s VAL 34 N -0.81 0.08 -0.19 3.43 -7.23 -1.16 0.20 120.40 114.73 1wis s VAL 34 Ca -0.09 -0.67 -0.13 0.00 -1.81 0.00 0.00 61.98 59.28 1wis s VAL 34 Cb -0.05 -1.05 -0.05 0.00 0.56 0.00 0.00 36.38 35.80 1wis s VAL 34 CO 0.02 -0.37 0.26 -0.89 -0.31 0.00 0.00 175.10 173.82 1wis s THR 35 N -3.01 5.31 -0.23 5.32 2.01 -0.97 0.22 115.64 124.28 1wis s THR 35 Ca -0.02 0.45 -0.06 0.00 0.31 0.00 0.00 61.69 62.37 1wis s THR 35 Cb 0.01 -3.60 -0.02 0.00 0.01 0.00 0.00 72.50 68.89 1wis s THR 35 CO -0.06 0.35 0.03 -0.22 -0.69 0.00 0.00 174.62 174.03 1wis s LEU 36 N 0.79 3.26 -0.01 4.42 0.20 0.13 -2.56 118.68 124.90 1wis s LEU 36 Ca 0.14 -0.25 -0.00 0.00 0.69 0.00 0.00 54.13 54.71 1wis s LEU 36 Cb -0.13 -1.86 -0.04 0.00 -0.43 0.00 0.00 46.19 43.74 1wis s LEU 36 CO 0.04 -0.01 0.05 -1.10 -0.29 0.00 0.00 176.35 175.05 1wis s GLN 37 N 1.44 2.99 0.07 1.98 -0.21 -0.96 -2.30 119.66 122.67 1wis s GLN 37 Ca 0.05 -0.50 -0.05 0.00 0.02 0.00 0.00 55.36 54.88 1wis s GLN 37 Cb -0.15 -2.81 0.02 0.00 1.00 0.00 0.00 33.01 31.07 1wis s GLN 37 CO 0.01 0.65 0.24 1.97 -2.12 0.00 0.00 175.29 176.05 1wis n PHE 38 N 1.35 -0.98 -3.72 0.91 1.16 -1.12 -2.32 117.46 112.74 1wis n PHE 38 Ca -0.14 -0.38 -0.12 0.00 -1.87 0.00 0.00 57.45 54.94 1wis n PHE 38 Cb 0.53 0.19 -0.12 0.00 -1.61 0.00 0.00 39.48 38.46 1wis n PHE 38 CO 0.00 0.00 0.00 -0.98 -1.87 0.00 0.00 176.76 173.91 1wis s ARG 39 N -2.02 0.27 -0.36 3.97 1.70 -0.83 -4.75 118.95 116.93 1wis s ARG 39 Ca 0.05 0.61 -0.29 0.00 -0.47 0.00 0.00 55.73 55.64 1wis s ARG 39 Cb -0.01 -0.08 0.00 0.00 -0.57 0.00 0.00 34.95 34.29 1wis s ARG 39 CO 0.02 -0.16 1.38 -1.25 -1.08 0.00 0.00 175.30 174.21 1wis s PRO 40 N 1.27 3.71 0.00 3.89 0.04 -1.26 -3.06 135.00 139.60 1wis s PRO 40 Ca -0.09 1.09 0.00 0.00 0.04 0.00 0.00 61.00 62.04 1wis s PRO 40 Cb -0.09 -3.97 0.00 0.00 0.04 0.00 0.00 34.50 30.47 1wis s PRO 40 CO -0.10 -1.38 0.19 0.41 0.04 0.00 0.00 177.00 176.16 1wis n GLY 41 N 4.77 -0.38 3.07 0.56 0.00 -1.26 -4.80 105.19 107.15 1wis n GLY 41 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.38 3.34 0.11 1.61 6.14 -1.26 -4.99 117.35 121.93 1wis s TYR 42 Ca 0.00 -2.37 -0.25 0.00 0.64 0.00 0.00 57.07 55.09 1wis s TYR 42 Cb 0.00 -2.10 -0.08 0.00 0.42 0.00 0.00 41.96 40.19 1wis s TYR 42 CO 0.00 -0.88 1.67 0.38 0.64 0.00 0.00 175.55 177.35 1wis h ASP 43 N 7.78 -0.50 0.00 4.32 2.03 -1.90 0.34 116.42 128.49 1wis h ASP 43 Ca -0.17 0.06 0.00 0.00 -0.73 0.00 0.00 57.03 56.19 1wis h ASP 43 Cb 1.04 0.20 0.00 0.00 -0.83 0.00 0.00 39.33 39.74 1wis h ASP 43 CO 0.48 -0.25 0.00 0.61 -1.03 0.00 0.00 179.24 179.05 1wis n GLY 44 N -1.31 1.33 2.74 7.15 0.00 -1.26 -3.48 105.19 110.37 1wis n GLY 44 Ca -0.06 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.07 -3.05 -3.21 1.61 5.02 -1.26 -2.82 118.16 114.38 1wis n LYS 45 Ca 0.00 0.80 0.04 0.00 -2.02 0.00 0.00 58.31 57.13 1wis n LYS 45 Cb 0.00 -5.52 -0.02 0.00 -0.02 0.00 0.00 35.03 29.47 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 -2.96 -0.34 0.94 -0.18 -1.32 -1.26 -4.85 115.64 105.67 1wis s THR 46 Ca 0.15 0.00 -0.17 0.00 -1.21 0.00 0.00 61.69 60.46 1wis s THR 46 Cb -0.07 -1.00 -0.13 0.00 -1.51 0.00 0.00 72.50 69.78 1wis s THR 46 CO 0.19 0.00 -0.63 -1.54 -2.21 0.00 0.00 174.62 170.43 1wis n SER 47 N 5.26 -5.44 -4.81 8.08 3.41 -1.26 -4.88 113.62 113.98 1wis n SER 47 Ca -0.07 0.24 -0.35 0.00 -0.26 0.00 0.00 58.87 58.43 1wis n SER 47 Cb 0.54 -0.81 -0.06 0.00 -0.26 0.00 0.00 64.21 63.61 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 -2.03 4.39 -0.10 -1.33 -1.09 -1.26 -4.73 121.20 115.05 1wis s ILE 48 Ca 0.43 1.51 0.08 0.00 -2.23 0.00 0.00 60.65 60.44 1wis s ILE 48 Cb -0.22 -3.82 -0.24 0.00 -1.58 0.00 0.00 42.46 36.61 1wis s ILE 48 CO 0.80 -0.01 0.44 -1.20 -1.23 0.00 0.00 174.94 173.74 1wis n SER 49 N 0.15 1.16 -3.64 3.58 7.64 0.24 -4.39 113.62 118.36 1wis n SER 49 Ca 0.03 0.27 -0.07 0.00 1.01 0.00 0.00 58.87 60.11 1wis n SER 49 Cb 0.52 -0.15 -0.07 0.00 -1.01 0.00 0.00 64.21 63.50 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 -2.57 0.39 -0.04 1.43 3.00 -1.13 -1.67 118.95 118.37 1wis s ARG 50 Ca -0.12 0.50 -0.16 0.00 -1.00 0.00 0.00 55.73 54.95 1wis s ARG 50 Cb 0.07 0.17 -0.05 0.00 0.00 0.00 0.00 34.95 35.15 1wis s ARG 50 CO 0.80 -0.05 0.42 -1.58 0.00 0.00 0.00 175.30 174.89 1wis s TRP 51 N 0.37 3.66 0.04 5.12 0.52 0.16 -2.16 118.94 126.65 1wis s TRP 51 Ca 0.02 0.95 0.00 0.00 0.02 0.00 0.00 56.10 57.09 1wis s TRP 51 Cb -0.05 -2.36 -0.04 0.00 -1.15 0.00 0.00 33.47 29.87 1wis s TRP 51 CO -0.09 0.50 0.13 -1.17 0.02 0.00 0.00 176.95 176.33 1wis s LEU 52 N -0.57 4.04 -0.22 2.99 2.96 -0.35 -0.27 118.68 127.26 1wis s LEU 52 Ca 0.24 0.16 -0.04 0.00 -0.22 0.00 0.00 54.13 54.27 1wis s LEU 52 Cb -0.16 -2.55 0.07 0.00 0.50 0.00 0.00 46.19 44.06 1wis s LEU 52 CO 0.12 0.22 0.09 -0.69 -1.32 0.00 0.00 176.35 174.76 1wis s VAL 53 N -1.35 0.17 0.31 1.68 1.01 0.13 -2.20 120.40 120.15 1wis s VAL 53 Ca 0.28 -0.54 0.06 0.00 0.00 0.00 0.00 61.98 61.78 1wis s VAL 53 Cb -0.12 -0.91 -0.02 0.00 0.00 0.00 0.00 36.38 35.33 1wis s VAL 53 CO 0.20 -0.42 0.40 -1.61 0.00 0.00 0.00 175.10 173.67 1wis s GLU 54 N 2.00 3.10 0.21 2.72 2.02 -1.26 -0.07 118.70 127.43 1wis s GLU 54 Ca 0.04 -1.01 -0.21 0.00 0.02 0.00 0.00 54.97 53.81 1wis s GLU 54 Cb -0.16 -2.76 0.04 0.00 0.10 0.00 0.00 34.13 31.35 1wis s GLU 54 CO -0.18 0.16 0.62 0.00 0.02 0.00 0.00 175.26 175.89 1wis s ALA 55 N -2.16 -1.28 -0.07 5.21 0.00 -0.38 -1.23 121.76 121.86 1wis s ALA 55 Ca 0.41 0.00 0.03 0.00 0.00 0.00 0.00 51.96 52.41 1wis s ALA 55 Cb -0.09 0.87 0.01 0.00 0.00 0.00 0.00 23.12 23.91 1wis s ALA 55 CO 0.29 -0.88 -0.16 -1.14 0.00 0.00 0.00 175.76 173.88 1wis s GLN 56 N -3.85 2.05 0.18 0.00 0.74 -1.25 -3.13 119.66 114.41 1wis s GLN 56 Ca 0.07 -0.55 -0.31 0.00 0.05 0.00 0.00 55.36 54.62 1wis s GLN 56 Cb -0.03 -1.64 -0.09 0.00 1.10 0.00 0.00 33.01 32.35 1wis s GLN 56 CO -0.03 0.09 1.39 0.08 -0.55 0.00 0.00 175.29 176.27 1wis s VAL 57 N 0.52 3.05 0.00 1.34 1.01 -1.26 -3.40 120.40 121.65 1wis s VAL 57 Ca -0.15 0.82 0.00 0.00 0.00 0.00 0.00 61.98 62.66 1wis s VAL 57 Cb -0.16 -3.53 0.00 0.00 0.00 0.00 0.00 36.38 32.69 1wis s VAL 57 CO 0.05 0.10 0.00 0.61 0.00 0.00 0.00 175.10 175.86 1wis n GLY 58 N 2.80 0.50 3.42 4.51 0.00 -0.67 -4.32 105.19 111.44 1wis n GLY 58 Ca 0.09 0.49 -0.48 0.00 0.00 0.00 0.00 46.02 46.12 1wis n GLY 58 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1wis n VAL 59 N 0.00 0.03 -3.51 1.61 3.14 -1.26 -4.74 118.33 113.60 1wis n VAL 59 Ca 0.00 -0.16 -0.26 0.00 -2.96 0.00 0.00 64.34 60.96 1wis n VAL 59 Cb 0.00 -1.05 -0.14 0.00 -1.06 0.00 0.00 33.84 31.60 1wis n VAL 59 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1wis s VAL 60 N 8.18 -0.14 0.00 1.55 0.11 -1.26 -4.87 120.40 123.97 1wis s VAL 60 Ca 1.21 -0.71 0.00 0.00 -2.93 0.00 0.00 61.98 59.55 1wis s VAL 60 Cb -1.10 -0.98 0.00 0.00 -1.53 0.00 0.00 36.38 32.77 1wis s VAL 60 CO 0.51 -0.68 0.00 0.61 -3.33 0.00 0.00 175.10 172.21 1wis n GLY 61 N 5.25 -0.13 0.00 6.54 0.00 -1.26 -5.05 105.19 110.53 1wis n GLY 61 Ca -0.05 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1wis n GLY 61 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1wis n GLU 62 N 0.00 -1.18 -0.63 1.61 0.28 -1.26 -4.99 120.64 114.46 1wis n GLU 62 Ca 0.00 0.00 -0.12 0.00 -0.16 0.00 0.00 57.16 56.88 1wis n GLU 62 Cb 0.00 0.00 -0.07 0.00 1.43 0.00 0.00 31.44 32.80 1wis n GLU 62 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1wis n GLY 63 N 0.00 2.50 3.94 -1.84 0.00 -1.26 -4.80 105.19 103.72 1wis n GLY 63 Ca 0.00 -0.75 -0.23 0.00 0.00 0.00 0.00 46.02 45.04 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 2.40 2.32 0.22 1.61 0.41 -1.26 -5.14 118.70 119.26 1wis s GLU 64 Ca 0.39 -1.83 0.07 0.00 -0.41 0.00 0.00 54.97 53.19 1wis s GLU 64 Cb 0.15 -2.31 -0.04 0.00 -1.78 0.00 0.00 34.13 30.15 1wis s GLU 64 CO -0.01 -0.63 0.13 -1.83 -0.49 0.00 0.00 175.26 172.43 1wis s GLU 65 N -4.38 2.79 -0.04 1.61 -1.05 -1.26 -5.09 118.70 111.27 1wis s GLU 65 Ca 0.45 -1.06 0.05 0.00 -0.15 0.00 0.00 54.97 54.27 1wis s GLU 65 Cb -0.04 -2.51 -0.01 0.00 -0.44 0.00 0.00 34.13 31.13 1wis s GLU 65 CO 0.28 0.42 -0.21 -1.58 0.95 0.00 0.00 175.26 175.12 1wis s TRP 66 N -2.01 2.05 0.29 4.83 0.52 -1.26 -4.82 118.94 118.54 1wis s TRP 66 Ca 0.32 -0.56 0.12 0.00 0.02 0.00 0.00 56.10 55.99 1wis s TRP 66 Cb -0.08 -1.35 -0.05 0.00 -1.15 0.00 0.00 33.47 30.83 1wis s TRP 66 CO 0.23 -0.16 -0.19 -0.51 0.02 0.00 0.00 176.95 176.34 1wis s LEU 67 N -0.15 2.61 0.51 2.99 1.43 -1.18 -4.92 118.68 119.96 1wis s LEU 67 Ca -0.01 -1.05 -0.19 0.00 -1.03 0.00 0.00 54.13 51.85 1wis s LEU 67 Cb -0.12 -1.08 -0.07 0.00 0.03 0.00 0.00 46.19 44.95 1wis s LEU 67 CO 0.02 0.00 1.04 -0.22 0.23 0.00 0.00 176.35 177.42 1wis s LEU 68 N -3.52 3.76 0.00 1.79 2.96 -1.26 -1.26 118.68 121.15 1wis s LEU 68 Ca 0.30 1.88 0.00 0.00 -0.22 0.00 0.00 54.13 56.09 1wis s LEU 68 Cb -0.04 -4.55 0.00 0.00 0.50 0.00 0.00 46.19 42.10 1wis s LEU 68 CO 0.15 -0.85 0.00 2.30 -1.32 0.00 0.00 176.35 176.63 1wis n ILE 69 N -1.24 0.00 -3.98 6.68 -5.35 0.90 -4.84 119.36 111.53 1wis n ILE 69 Ca 0.09 0.00 -0.10 0.00 -0.27 0.00 0.00 62.75 62.47 1wis n ILE 69 Cb 0.53 -0.43 -0.12 0.00 -1.74 0.00 0.00 39.64 37.88 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 -1.60 0.30 -0.11 4.28 5.04 -0.92 -4.97 115.29 117.31 1wis s HIS 70 Ca 0.00 -0.44 -0.07 0.00 -1.54 0.00 0.00 55.06 53.01 1wis s HIS 70 Cb 0.00 -0.20 0.04 0.00 0.04 0.00 0.00 32.58 32.46 1wis s HIS 70 CO 0.00 -0.14 0.27 1.14 -2.34 0.00 0.00 174.74 173.67 1wis s GLN 71 N -1.24 0.27 -0.43 2.88 -2.07 -1.26 0.17 119.66 117.98 1wis s GLN 71 Ca -0.12 0.48 -0.11 0.00 -1.82 0.00 0.00 55.36 53.79 1wis s GLN 71 Cb -0.08 0.01 0.07 0.00 -1.09 0.00 0.00 33.01 31.92 1wis s GLN 71 CO -0.01 -0.10 0.29 -1.17 -1.32 0.00 0.00 175.29 172.98 1wis s LEU 72 N 0.75 5.24 0.19 2.60 2.96 0.62 -4.90 118.68 126.15 1wis s LEU 72 Ca -0.05 -1.44 -0.04 0.00 -0.22 0.00 0.00 54.13 52.39 1wis s LEU 72 Cb -0.06 -2.03 -0.05 0.00 0.50 0.00 0.00 46.19 44.54 1wis s LEU 72 CO -0.05 -0.56 0.42 -0.44 -1.32 0.00 0.00 176.35 174.41 1wis s SER 73 N 2.20 6.45 -0.61 3.68 0.01 -1.26 0.39 113.70 124.56 1wis s SER 73 Ca 0.03 0.57 -0.19 0.00 1.31 0.00 0.00 55.95 57.67 1wis s SER 73 Cb -0.23 -2.08 0.03 0.00 0.21 0.00 0.00 66.02 63.95 1wis s SER 73 CO 0.03 -0.03 0.64 -3.20 0.41 0.00 0.00 173.24 171.09 1wis n ASN 74 N -0.35 -5.85 0.00 2.44 5.15 -0.67 -4.94 115.26 111.04 1wis n ASN 74 Ca -0.03 -0.33 0.00 0.00 -0.60 0.00 0.00 54.58 53.62 1wis n ASN 74 Cb 0.53 -2.54 0.00 0.00 -0.53 0.00 0.00 39.78 37.24 1wis n ASN 74 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1wis n GLU 75 N -1.20 0.00 0.01 1.20 1.02 -1.26 -5.00 120.64 115.41 1wis n GLU 75 Ca -0.13 0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.12 1wis n GLU 75 Cb 0.64 0.00 0.46 0.00 -0.02 0.00 0.00 31.44 32.52 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 0.02 -1.41 3.49 -0.04 -1.26 -2.95 135.00 132.86 1wis n PRO 76 Ca 0.00 0.15 -0.33 0.00 -0.04 0.00 0.00 63.50 63.27 1wis n PRO 76 Cb 0.00 -1.54 0.07 0.00 -0.04 0.00 0.00 33.50 32.00 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 -1.58 7.33 -4.14 3.54 9.92 -1.26 -4.88 116.55 125.47 1wis n ASP 77 Ca 0.05 -3.78 -0.33 0.00 -0.53 0.00 0.00 54.79 50.19 1wis n ASP 77 Cb 0.26 -0.90 -0.15 0.00 -0.64 0.00 0.00 41.12 39.69 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 -3.79 2.57 -0.00 2.24 0.00 -1.15 -4.97 121.76 116.65 1wis s ALA 78 Ca 0.63 -1.48 0.09 0.00 0.00 0.00 0.00 51.96 51.20 1wis s ALA 78 Cb 0.50 -1.53 -0.23 0.00 0.00 0.00 0.00 23.12 21.86 1wis s ALA 78 CO -0.00 -0.79 0.83 -0.09 0.00 0.00 0.00 175.76 175.70 1wis h ARG 79 N 7.93 0.04 -4.11 0.00 9.65 -1.90 -3.48 114.38 122.51 1wis h ARG 79 Ca -0.33 -0.06 -0.12 0.00 -1.10 0.00 0.00 59.98 58.37 1wis h ARG 79 Cb 1.10 0.02 -0.14 0.00 -1.39 0.00 0.00 29.97 29.56 1wis h ARG 79 CO 0.56 0.72 -0.53 -1.54 2.80 0.00 0.00 179.97 181.98 1wis s SER 80 N -6.38 0.28 0.15 -3.80 1.04 -1.26 -2.78 113.70 100.95 1wis s SER 80 Ca -0.04 -0.93 -0.23 0.00 0.48 0.00 0.00 55.95 55.22 1wis s SER 80 Cb 0.08 0.30 0.07 0.00 0.10 0.00 0.00 66.02 66.57 1wis s SER 80 CO 0.82 -0.71 0.60 0.00 0.98 0.00 0.00 173.24 174.94 1wis s MET 81 N -3.94 1.27 0.10 4.02 0.23 -0.97 -4.99 119.30 115.03 1wis s MET 81 Ca 0.12 -0.45 -0.17 0.00 -1.03 0.00 0.00 55.69 54.15 1wis s MET 81 Cb 0.06 0.59 -0.07 0.00 -1.53 0.00 0.00 34.83 33.88 1wis s MET 81 CO -0.06 -0.55 0.56 -2.00 -2.03 0.00 0.00 175.02 170.94 1wis s GLU 82 N -3.67 4.11 -0.51 3.16 2.12 -1.26 -0.69 118.70 121.95 1wis s GLU 82 Ca 0.01 0.64 -0.00 0.00 0.36 0.00 0.00 54.97 55.97 1wis s GLU 82 Cb -0.01 -3.11 0.13 0.00 0.26 0.00 0.00 34.13 31.41 1wis s GLU 82 CO -0.12 0.57 0.29 0.08 -0.54 0.00 0.00 175.26 175.54 1wis s VAL 83 N -1.26 3.14 0.00 3.70 1.01 0.13 -4.93 120.40 122.20 1wis s VAL 83 Ca 0.33 -2.77 0.00 0.00 0.00 0.00 0.00 61.98 59.54 1wis s VAL 83 Cb -0.18 -3.13 0.00 0.00 0.00 0.00 0.00 36.38 33.08 1wis s VAL 83 CO 0.19 -0.78 0.00 -0.81 0.00 0.00 0.00 175.10 173.70 1wis n PRO 84 N 3.74 0.57 -3.79 2.72 -0.04 -1.26 -2.97 135.00 133.97 1wis n PRO 84 Ca 0.04 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.18 1wis n PRO 84 Cb 0.38 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 33.86 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 -0.86 -5.02 -4.38 3.54 2.03 -0.95 -4.82 116.55 106.09 1wis n ASP 85 Ca 0.00 -1.02 -0.30 0.00 0.52 0.00 0.00 54.79 53.99 1wis n ASP 85 Cb 0.00 -2.52 -0.14 0.00 -0.72 0.00 0.00 41.12 37.74 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 -6.21 2.30 -0.22 -2.67 1.43 -0.76 -5.03 118.68 107.53 1wis s LEU 86 Ca 0.32 -0.60 -0.24 0.00 -1.03 0.00 0.00 54.13 52.58 1wis s LEU 86 Cb -0.15 -1.32 -0.01 0.00 0.03 0.00 0.00 46.19 44.74 1wis s LEU 86 CO 0.90 0.24 0.78 0.20 0.23 0.00 0.00 176.35 178.69 1wis s ASN 87 N -1.51 6.81 0.64 2.29 0.01 -1.26 -4.44 114.94 117.49 1wis s ASN 87 Ca 0.13 1.00 -0.13 0.00 -0.71 0.00 0.00 52.86 53.15 1wis s ASN 87 Cb -0.10 -2.42 -0.02 0.00 0.41 0.00 0.00 41.25 39.13 1wis s ASN 87 CO 0.04 -0.44 1.05 -2.16 -1.51 0.00 0.00 177.10 174.08 1wis s PRO 88 N 2.51 3.16 -1.64 -0.60 0.04 -1.26 -3.67 135.00 133.54 1wis s PRO 88 Ca 0.34 1.05 -0.15 0.00 0.04 0.00 0.00 61.00 62.28 1wis s PRO 88 Cb -0.16 -2.02 0.13 0.00 0.04 0.00 0.00 34.50 32.49 1wis s PRO 88 CO 0.09 -0.93 0.76 0.34 0.04 0.00 0.00 177.00 177.30 1wis n PHE 89 N -2.59 -1.80 -3.75 0.56 -0.00 -1.05 -4.94 117.46 103.90 1wis n PHE 89 Ca 0.08 0.80 -0.12 0.00 -0.00 0.00 0.00 57.45 58.21 1wis n PHE 89 Cb 0.53 -3.19 -0.12 0.00 -0.00 0.00 0.00 39.48 36.70 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 -3.39 -0.02 -0.16 -2.13 2.01 -1.24 -5.00 115.64 105.71 1wis s THR 90 Ca 0.62 0.07 -0.29 0.00 0.31 0.00 0.00 61.69 62.40 1wis s THR 90 Cb -0.34 -0.41 -0.02 0.00 0.01 0.00 0.00 72.50 71.75 1wis s THR 90 CO 0.91 0.03 1.31 0.00 -0.69 0.00 0.00 174.62 176.18 1wis s TYR 92 N 3.59 1.04 0.44 0.00 1.51 -1.26 -1.66 117.35 121.01 1wis s TYR 92 Ca 0.57 -0.78 0.05 0.00 -1.01 0.00 0.00 57.07 55.90 1wis s TYR 92 Cb -0.23 -0.57 -0.06 0.00 -0.11 0.00 0.00 41.96 41.00 1wis s TYR 92 CO 0.16 -0.04 0.03 0.45 -1.11 0.00 0.00 175.55 175.05 1wis s SER 93 N -2.87 4.01 -0.23 2.29 0.15 -1.22 -4.02 113.70 111.82 1wis s SER 93 Ca 0.11 -1.42 -0.21 0.00 0.70 0.00 0.00 55.95 55.13 1wis s SER 93 Cb 0.02 -0.14 0.06 0.00 -1.71 0.00 0.00 66.02 64.25 1wis s SER 93 CO -0.02 -0.58 0.61 -0.36 1.20 0.00 0.00 173.24 174.09 1wis s PHE 94 N -2.75 -0.67 0.00 3.44 0.08 -1.26 -3.91 117.98 112.92 1wis s PHE 94 Ca 0.28 1.64 0.00 0.00 0.12 0.00 0.00 56.93 58.97 1wis s PHE 94 Cb 0.07 0.23 0.00 0.00 -0.57 0.00 0.00 43.02 42.75 1wis s PHE 94 CO 0.14 -0.32 0.00 2.89 -0.10 0.00 0.00 175.22 177.83 1wis n ARG 95 N 2.75 1.52 -4.18 0.44 1.85 -0.36 -0.52 116.66 118.16 1wis n ARG 95 Ca -0.14 0.00 -0.11 0.00 -1.00 0.00 0.00 57.85 56.60 1wis n ARG 95 Cb 0.56 0.00 -0.10 0.00 -1.05 0.00 0.00 32.46 31.87 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 -1.39 0.91 -0.18 2.89 -1.94 -1.26 -4.12 119.30 114.20 1wis s MET 96 Ca 0.00 -1.40 -0.29 0.00 -1.71 0.00 0.00 55.69 52.29 1wis s MET 96 Cb 0.00 -0.10 0.12 0.00 2.01 0.00 0.00 34.83 36.86 1wis s MET 96 CO 0.00 -0.10 0.99 1.03 -0.01 0.00 0.00 175.02 176.93 1wis s ARG 97 N -3.90 0.60 -0.01 2.03 0.52 -0.94 -3.31 118.95 113.94 1wis s ARG 97 Ca 0.17 0.26 0.05 0.00 -0.52 0.00 0.00 55.73 55.69 1wis s ARG 97 Cb 0.06 0.28 -0.03 0.00 0.52 0.00 0.00 34.95 35.79 1wis s ARG 97 CO -0.02 -0.16 -0.13 -0.65 0.02 0.00 0.00 175.30 174.36 1wis s GLN 98 N -0.78 2.38 -0.13 3.54 -0.21 -1.26 -1.21 119.66 121.99 1wis s GLN 98 Ca -0.01 -0.79 -0.00 0.00 0.02 0.00 0.00 55.36 54.57 1wis s GLN 98 Cb -0.02 -2.35 0.03 0.00 1.00 0.00 0.00 33.01 31.67 1wis s GLN 98 CO 0.00 0.59 -0.07 0.08 -2.12 0.00 0.00 175.29 173.77 1wis s VAL 99 N -0.87 1.06 0.44 1.09 1.01 -0.92 -2.24 120.40 119.96 1wis s VAL 99 Ca 0.14 -0.37 0.04 0.00 0.00 0.00 0.00 61.98 61.79 1wis s VAL 99 Cb -0.11 -1.11 -0.02 0.00 0.00 0.00 0.00 36.38 35.15 1wis s VAL 99 CO 0.04 0.32 0.14 0.54 0.00 0.00 0.00 175.10 176.14 1wis s ASN 100 N 1.69 3.02 0.33 3.32 2.20 -0.46 0.83 114.94 125.87 1wis s ASN 100 Ca 0.04 -1.74 0.22 0.00 -0.94 0.00 0.00 52.86 50.44 1wis s ASN 100 Cb -0.13 0.62 1.18 0.00 -2.00 0.00 0.00 41.25 40.92 1wis s ASN 100 CO -0.08 -0.99 1.66 0.00 -2.94 0.00 0.00 177.10 174.75 1wis n ILE 101 N -0.99 0.97 -0.02 0.54 0.13 -1.26 -2.39 119.36 116.34 1wis n ILE 101 Ca -0.08 0.75 -0.00 0.00 -1.10 0.00 0.00 62.75 62.32 1wis n ILE 101 Cb 0.65 -1.75 -0.00 0.00 -0.84 0.00 0.00 39.64 37.70 1wis n ILE 101 CO 0.00 0.00 0.00 0.58 2.80 0.00 0.00 176.55 179.93 1wis h VAL 102 N 0.00 0.00 -0.07 9.51 2.07 -1.90 -3.51 116.25 122.36 1wis h VAL 102 Ca 0.00 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.13 1wis h VAL 102 Cb 0.05 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.82 1wis h VAL 102 CO 0.00 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.20 1wis n GLY 103 N 1.90 1.05 3.07 2.17 0.00 -1.01 -5.00 105.19 107.37 1wis n GLY 103 Ca -0.00 -0.48 -0.32 0.00 0.00 0.00 0.00 46.02 45.21 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 -1.70 2.06 1.13 2.61 2.01 -1.26 -1.36 115.64 119.13 1wis s THR 104 Ca 0.00 -1.39 -0.18 0.00 0.31 0.00 0.00 61.69 60.43 1wis s THR 104 Cb 0.00 -2.10 0.14 0.00 0.01 0.00 0.00 72.50 70.55 1wis s THR 104 CO 0.00 0.13 0.13 -1.54 -0.69 0.00 0.00 174.62 172.64 1wis n SER 105 N 4.51 -2.55 -4.34 3.53 3.41 -0.95 -4.97 113.62 112.26 1wis n SER 105 Ca -0.16 -0.22 -0.29 0.00 -0.26 0.00 0.00 58.87 57.94 1wis n SER 105 Cb 0.44 -0.93 0.18 0.00 -0.26 0.00 0.00 64.21 63.64 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 -3.56 0.37 0.14 4.33 0.04 -1.26 -4.73 135.00 130.33 1wis s PRO 106 Ca 0.54 -0.00 -0.30 0.00 0.04 0.00 0.00 61.00 61.27 1wis s PRO 106 Cb -0.11 -1.78 -0.07 0.00 0.04 0.00 0.00 34.50 32.58 1wis s PRO 106 CO 0.60 -2.66 1.13 -1.25 0.04 0.00 0.00 177.00 174.86 1wis s PRO 107 N -5.49 4.54 0.26 0.56 0.04 -1.26 -4.78 135.00 128.86 1wis s PRO 107 Ca 0.69 1.74 -0.03 0.00 0.04 0.00 0.00 61.00 63.43 1wis s PRO 107 Cb -0.10 -3.30 -0.05 0.00 0.04 0.00 0.00 34.50 31.09 1wis s PRO 107 CO 0.54 -0.04 0.50 0.45 0.04 0.00 0.00 177.00 178.48 1wis s SER 108 N 0.29 6.42 -0.16 6.66 0.15 -1.21 -4.98 113.70 120.87 1wis s SER 108 Ca 0.52 0.60 -0.39 0.00 0.70 0.00 0.00 55.95 57.38 1wis s SER 108 Cb -0.29 -2.09 -0.19 0.00 -1.71 0.00 0.00 66.02 61.74 1wis s SER 108 CO 0.33 -0.14 1.16 0.00 1.20 0.00 0.00 173.24 175.79 1wis n GLN 109 N -0.85 0.00 -1.99 5.44 6.02 -1.26 -4.42 117.38 120.32 1wis n GLN 109 Ca -0.03 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.64 1wis n GLN 109 Cb 0.54 -1.40 0.01 0.00 1.02 0.00 0.00 30.24 30.42 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 0.93 3.32 0.35 -1.09 0.04 -1.26 -4.74 135.00 132.55 1wis s PRO 110 Ca 0.89 1.13 -0.26 0.00 0.04 0.00 0.00 61.00 62.80 1wis s PRO 110 Cb -1.25 -2.04 -0.09 0.00 0.04 0.00 0.00 34.50 31.16 1wis s PRO 110 CO 0.61 -0.80 1.06 -1.54 0.04 0.00 0.00 177.00 176.36 1wis s SER 111 N -3.01 6.96 0.99 6.66 1.04 0.33 -4.95 113.70 121.71 1wis s SER 111 Ca 0.62 2.11 -0.16 0.00 0.48 0.00 0.00 55.95 59.00 1wis s SER 111 Cb -0.15 -2.60 0.08 0.00 0.10 0.00 0.00 66.02 63.45 1wis s SER 111 CO 0.40 -0.35 -0.10 0.54 0.98 0.00 0.00 173.24 174.70 1wis n ARG 112 N 0.41 -1.52 -2.63 4.02 1.74 -1.26 -4.39 116.66 113.03 1wis n ARG 112 Ca 0.03 -0.44 -0.41 0.00 -0.77 0.00 0.00 57.85 56.25 1wis n ARG 112 Cb 0.48 -1.41 -0.04 0.00 -1.02 0.00 0.00 32.46 30.47 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 -3.08 4.65 0.42 5.56 1.02 -1.26 -4.82 119.74 122.22 1wis s LYS 113 Ca 0.38 1.56 0.05 0.00 0.02 0.00 0.00 55.97 57.98 1wis s LYS 113 Cb -0.04 -3.34 -0.02 0.00 -0.52 0.00 0.00 37.83 33.91 1wis s LYS 113 CO 0.44 0.14 0.16 0.96 -0.92 0.00 0.00 175.35 176.13 1wis s ILE 114 N -0.02 0.44 -0.08 2.17 -5.25 -1.26 -5.06 121.20 112.15 1wis s ILE 114 Ca 0.48 -2.00 0.00 0.00 -0.99 0.00 0.00 60.65 58.15 1wis s ILE 114 Cb -0.26 -2.30 0.02 0.00 2.95 0.00 0.00 42.46 42.87 1wis s ILE 114 CO 0.32 0.00 -0.06 -1.58 -1.79 0.00 0.00 174.94 171.82 1wis s GLN 115 N -3.62 1.24 0.36 0.37 0.74 -1.26 -4.08 119.66 113.40 1wis s GLN 115 Ca 0.24 -0.18 -0.17 0.00 0.05 0.00 0.00 55.36 55.30 1wis s GLN 115 Cb 0.01 -1.28 -0.10 0.00 1.10 0.00 0.00 33.01 32.75 1wis s GLN 115 CO 0.17 -0.18 0.81 0.95 -0.55 0.00 0.00 175.29 176.49 1wis s THR 116 N 1.39 4.57 1.07 -0.34 -4.23 -1.26 -4.93 115.64 111.92 1wis s THR 116 Ca -0.02 1.14 -0.14 0.00 -1.18 0.00 0.00 61.69 61.49 1wis s THR 116 Cb -0.13 -3.61 0.22 0.00 1.34 0.00 0.00 72.50 70.32 1wis s THR 116 CO -0.04 -0.23 1.09 -0.76 -0.54 0.00 0.00 174.62 174.15 1wis s LEU 117 N -3.04 1.26 1.07 4.79 1.43 -0.28 -2.53 118.68 121.39 1wis s LEU 117 Ca 0.57 1.03 -0.15 0.00 -1.03 0.00 0.00 54.13 54.56 1wis s LEU 117 Cb -0.10 -3.07 0.22 0.00 0.03 0.00 0.00 46.19 43.28 1wis s LEU 117 CO 0.16 -3.49 1.10 -1.10 0.23 0.00 0.00 176.35 173.25 1wis s GLN 118 N -5.06 -0.15 -0.51 1.70 -1.52 -1.26 -3.44 119.66 109.42 1wis s GLN 118 Ca 0.67 0.30 -0.07 0.00 -1.95 0.00 0.00 55.36 54.31 1wis s GLN 118 Cb -0.17 -1.69 0.13 0.00 -0.22 0.00 0.00 33.01 31.07 1wis s GLN 118 CO 0.58 -3.07 0.37 0.45 -0.25 0.00 0.00 175.29 173.36 1wis s SER 119 N -3.61 5.63 0.00 5.90 0.15 -1.26 -4.58 113.70 115.93 1wis s SER 119 Ca 0.67 -2.13 0.00 0.00 0.70 0.00 0.00 55.95 55.19 1wis s SER 119 Cb -0.16 -1.97 0.00 0.00 -1.71 0.00 0.00 66.02 62.18 1wis s SER 119 CO 0.57 -0.61 0.00 0.61 1.20 0.00 0.00 173.24 175.01 1wis n GLY 120 N 4.57 3.63 3.78 9.45 0.00 -1.26 -5.13 105.19 120.23 1wis n GLY 120 Ca -0.03 -1.07 -0.37 0.00 0.00 0.00 0.00 46.02 44.54 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 -2.38 4.28 -0.26 1.61 0.04 -1.26 -5.04 135.00 131.99 1wis s PRO 121 Ca 0.00 1.58 -0.02 0.00 0.04 0.00 0.00 61.00 62.61 1wis s PRO 121 Cb 0.00 -2.70 0.13 0.00 0.04 0.00 0.00 34.50 31.97 1wis s PRO 121 CO 0.00 -0.06 0.31 0.45 0.04 0.00 0.00 177.00 177.74 1wis s SER 122 N -1.39 1.13 0.36 6.66 0.15 -1.26 -5.14 113.70 114.20 1wis s SER 122 Ca 0.54 -0.36 -0.26 0.00 0.70 0.00 0.00 55.95 56.58 1wis s SER 122 Cb -0.24 0.69 -0.09 0.00 -1.71 0.00 0.00 66.02 64.66 1wis s SER 122 CO 0.31 -0.35 1.06 -0.55 1.20 0.00 0.00 173.24 174.91 1wis s SER 123 N 2.42 6.92 0.00 5.45 0.15 -1.26 -5.27 113.70 122.11 1wis s SER 123 Ca 0.10 2.10 0.00 0.00 0.70 0.00 0.00 55.95 58.85 1wis s SER 123 Cb -0.14 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.57 1wis s SER 123 CO -0.24 -0.38 0.00 0.61 1.20 0.00 0.00 173.24 174.44