#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 -1.03 -0.16 1.61 0.15 -1.26 -5.16 113.70 107.85 1wis s SER 2 Ca 0.00 -0.49 -0.34 0.00 0.70 0.00 0.00 55.95 55.82 1wis s SER 2 Cb 0.00 1.34 0.14 0.00 -1.71 0.00 0.00 66.02 65.79 1wis s SER 2 CO 0.00 -0.12 1.24 -0.44 1.20 0.00 0.00 173.24 175.12 1wis s SER 3 N 1.95 -0.11 0.00 5.45 0.01 -1.26 -5.18 113.70 114.56 1wis s SER 3 Ca 0.15 -0.03 0.00 0.00 1.31 0.00 0.00 55.95 57.39 1wis s SER 3 Cb -0.01 0.14 0.00 0.00 0.21 0.00 0.00 66.02 66.35 1wis s SER 3 CO -0.11 -0.23 0.00 0.61 0.41 0.00 0.00 173.24 173.92 1wis n GLY 4 N -0.17 1.21 3.96 3.44 0.00 -1.26 -5.18 105.19 107.19 1wis n GLY 4 Ca -0.01 0.16 -0.18 0.00 0.00 0.00 0.00 46.02 45.99 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 0.00 5.47 0.78 1.61 0.01 -1.26 -5.08 113.70 115.24 1wis s SER 5 Ca 0.00 -0.51 -0.15 0.00 1.31 0.00 0.00 55.95 56.60 1wis s SER 5 Cb 0.00 -0.67 0.01 0.00 0.21 0.00 0.00 66.02 65.57 1wis s SER 5 CO 0.00 -0.70 0.75 -1.54 0.41 0.00 0.00 173.24 172.16 1wis n SER 6 N -1.73 -0.49 0.00 2.44 3.41 -1.26 -4.89 113.62 111.09 1wis n SER 6 Ca 0.06 0.56 0.00 0.00 -0.26 0.00 0.00 58.87 59.23 1wis n SER 6 Cb 0.60 -1.32 0.00 0.00 -0.26 0.00 0.00 64.21 63.23 1wis n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wis n GLY 7 N 1.25 1.71 3.06 5.00 0.00 -1.26 -5.13 105.19 109.82 1wis n GLY 7 Ca 0.11 -2.09 -0.10 0.00 0.00 0.00 0.00 46.02 43.94 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 -1.40 0.33 -0.33 2.61 -1.32 -1.26 -5.13 115.64 109.15 1wis s THR 8 Ca 0.00 -1.32 -0.01 0.00 -1.21 0.00 0.00 61.69 59.15 1wis s THR 8 Cb 0.00 -0.86 0.11 0.00 -1.51 0.00 0.00 72.50 70.24 1wis s THR 8 CO 0.00 -0.65 0.13 -0.63 -2.21 0.00 0.00 174.62 171.27 1wis s ILE 9 N -2.35 0.75 -0.39 5.08 1.01 -1.26 -5.02 121.20 119.02 1wis s ILE 9 Ca -0.05 -1.49 0.01 0.00 0.00 0.00 0.00 60.65 59.12 1wis s ILE 9 Cb -0.03 -1.57 0.19 0.00 0.01 0.00 0.00 42.46 41.06 1wis s ILE 9 CO -0.03 -0.74 0.81 -0.55 0.00 0.00 0.00 174.94 174.42 1wis s SER 10 N 1.47 -1.05 0.00 3.58 0.15 -1.26 -5.01 113.70 111.58 1wis s SER 10 Ca 0.11 -0.63 0.00 0.00 0.70 0.00 0.00 55.95 56.14 1wis s SER 10 Cb -0.19 1.35 0.00 0.00 -1.71 0.00 0.00 66.02 65.47 1wis s SER 10 CO -0.21 -0.11 0.00 -1.20 1.20 0.00 0.00 173.24 172.92 1wis n SER 11 N 3.95 0.00 -3.67 5.45 7.64 -1.26 -5.13 113.62 120.60 1wis n SER 11 Ca 0.10 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.89 1wis n SER 11 Cb 0.59 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.70 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 -0.44 -0.03 0.23 0.00 -1.26 -5.15 107.32 100.67 1wis s GLY 12 Ca 0.00 1.86 -0.01 0.00 0.00 0.00 0.00 44.72 46.57 1wis s GLY 12 CO 0.00 1.97 0.04 0.54 0.00 0.00 0.00 173.10 175.65 1wis s VAL 13 N 1.53 -0.07 0.43 1.40 0.11 -1.26 -5.12 120.40 117.42 1wis s VAL 13 Ca -0.10 0.28 -0.23 0.00 -2.93 0.00 0.00 61.98 59.01 1wis s VAL 13 Cb -0.07 -0.10 -0.09 0.00 -1.53 0.00 0.00 36.38 34.59 1wis s VAL 13 CO -0.15 0.12 1.05 -2.16 -3.33 0.00 0.00 175.10 170.62 1wis s PRO 14 N 1.39 4.02 0.80 1.54 0.04 -1.26 -5.04 135.00 136.49 1wis s PRO 14 Ca -0.05 1.46 -0.11 0.00 0.04 0.00 0.00 61.00 62.33 1wis s PRO 14 Cb -0.13 -2.37 0.07 0.00 0.04 0.00 0.00 34.50 32.12 1wis s PRO 14 CO -0.03 -0.26 1.10 -1.25 0.04 0.00 0.00 177.00 176.60 1wis s PRO 15 N -2.78 2.05 0.46 0.56 0.04 -1.26 -5.08 135.00 128.98 1wis s PRO 15 Ca 0.61 0.62 0.05 0.00 0.04 0.00 0.00 61.00 62.33 1wis s PRO 15 Cb -0.20 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.39 1wis s PRO 15 CO 0.25 -1.64 0.10 -1.21 0.04 0.00 0.00 177.00 174.54 1wis s GLU 16 N -5.16 2.14 0.54 4.56 2.02 -1.21 -4.87 118.70 116.72 1wis s GLU 16 Ca 0.61 -2.12 -0.16 0.00 0.02 0.00 0.00 54.97 53.32 1wis s GLU 16 Cb -0.14 -1.75 -0.07 0.00 0.10 0.00 0.00 34.13 32.27 1wis s GLU 16 CO 0.54 -0.23 1.01 -0.51 0.02 0.00 0.00 175.26 176.09 1wis s LEU 17 N -3.88 3.58 0.00 1.80 1.43 -1.26 -4.64 118.68 115.71 1wis s LEU 17 Ca 0.27 1.64 0.00 0.00 -1.03 0.00 0.00 54.13 55.02 1wis s LEU 17 Cb 0.04 -4.52 0.00 0.00 0.03 0.00 0.00 46.19 41.75 1wis s LEU 17 CO 0.15 -0.77 0.00 -0.81 0.23 0.00 0.00 176.35 175.15 1wis n PRO 18 N -1.74 0.70 -4.44 1.29 -0.04 -1.21 -4.47 135.00 125.09 1wis n PRO 18 Ca 0.07 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.32 1wis n PRO 18 Cb 0.54 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 -1.34 2.10 -0.22 0.55 0.00 0.13 -4.91 107.32 103.61 1wis s GLY 19 Ca 0.00 -1.92 -0.29 0.00 0.00 0.00 0.00 44.72 42.51 1wis s GLY 19 CO 0.00 -1.79 1.31 2.56 0.00 0.00 0.00 173.10 175.18 1wis s PRO 20 N -3.89 4.07 0.31 2.90 0.04 -1.26 -4.55 135.00 132.61 1wis s PRO 20 Ca 0.35 1.49 -0.28 0.00 0.04 0.00 0.00 61.00 62.61 1wis s PRO 20 Cb 0.08 -3.84 -0.09 0.00 0.04 0.00 0.00 34.50 30.69 1wis s PRO 20 CO 0.15 -0.93 1.07 -1.25 0.04 0.00 0.00 177.00 176.09 1wis s PRO 21 N 3.88 4.51 0.00 0.56 0.04 -1.26 -4.63 135.00 138.09 1wis s PRO 21 Ca 0.57 1.69 0.00 0.00 0.04 0.00 0.00 61.00 63.30 1wis s PRO 21 Cb -0.20 -3.00 0.00 0.00 0.04 0.00 0.00 34.50 31.34 1wis s PRO 21 CO 0.19 0.13 0.00 0.25 0.04 0.00 0.00 177.00 177.61 1wis n THR 22 N 0.83 0.00 -2.29 1.26 -2.24 -1.20 -4.74 114.28 105.89 1wis n THR 22 Ca 0.01 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.65 1wis n THR 22 Cb 0.46 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.69 1wis n THR 22 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1wis n ASN 23 N -0.65 -4.33 -4.75 3.42 5.15 -1.26 -1.90 115.26 110.94 1wis n ASN 23 Ca 0.00 -0.02 -0.41 0.00 -0.60 0.00 0.00 54.58 53.55 1wis n ASN 23 Cb 0.00 -3.48 -0.04 0.00 -0.53 0.00 0.00 39.78 35.73 1wis n ASN 23 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1wis s LEU 24 N -4.08 4.52 0.04 1.20 1.02 -1.26 -3.87 118.68 116.26 1wis s LEU 24 Ca 0.01 2.21 -0.13 0.00 0.02 0.00 0.00 54.13 56.24 1wis s LEU 24 Cb -0.00 -3.62 0.02 0.00 0.02 0.00 0.00 46.19 42.61 1wis s LEU 24 CO 0.01 -0.20 0.29 -0.83 0.02 0.00 0.00 176.35 175.65 1wis s GLY 25 N -0.51 -0.11 -0.31 -3.19 0.00 -1.13 -4.98 107.32 97.10 1wis s GLY 25 Ca 0.47 -0.00 0.02 0.00 0.00 0.00 0.00 44.72 45.21 1wis s GLY 25 CO 0.39 -0.21 -0.01 -0.42 0.00 0.00 0.00 173.10 172.85 1wis s ILE 26 N -2.46 2.44 0.33 0.90 -1.09 -1.26 -2.35 121.20 117.72 1wis s ILE 26 Ca -0.06 -1.90 0.03 0.00 -2.23 0.00 0.00 60.65 56.50 1wis s ILE 26 Cb -0.01 -2.59 -0.05 0.00 -1.58 0.00 0.00 42.46 38.23 1wis s ILE 26 CO -0.03 -0.31 0.09 -0.55 -1.23 0.00 0.00 174.94 172.92 1wis s SER 27 N 1.12 2.18 -1.57 3.58 0.15 -1.05 -4.81 113.70 113.30 1wis s SER 27 Ca 0.00 -1.48 -0.11 0.00 0.70 0.00 0.00 55.95 55.07 1wis s SER 27 Cb -0.20 0.18 0.09 0.00 -1.71 0.00 0.00 66.02 64.38 1wis s SER 27 CO -0.05 -0.75 0.66 0.59 1.20 0.00 0.00 173.24 174.89 1wis n ASN 28 N -0.84 -2.29 -4.58 5.45 3.02 -1.26 -2.10 115.26 112.65 1wis n ASN 28 Ca -0.03 -0.98 -0.41 0.00 -0.03 0.00 0.00 54.58 53.12 1wis n ASN 28 Cb 0.66 -2.99 -0.03 0.00 -0.61 0.00 0.00 39.78 36.81 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 -3.56 3.53 0.00 2.41 1.01 -1.26 -3.77 121.20 119.56 1wis s ILE 29 Ca 0.44 0.48 0.00 0.00 0.00 0.00 0.00 60.65 61.57 1wis s ILE 29 Cb -0.24 -3.88 0.00 0.00 0.01 0.00 0.00 42.46 38.35 1wis s ILE 29 CO 0.90 -0.67 0.00 0.61 0.00 0.00 0.00 174.94 175.78 1wis n GLY 30 N 5.44 1.12 0.17 6.18 0.00 0.16 -4.60 105.19 113.66 1wis n GLY 30 Ca 0.20 -1.79 -0.05 0.00 0.00 0.00 0.00 46.02 44.37 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 -0.32 0.00 1.61 0.13 -1.87 -0.74 132.00 130.82 1wis h PRO 31 Ca 0.00 0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 65.13 1wis h PRO 31 Cb 0.00 0.07 -0.04 0.00 0.13 0.00 0.00 31.00 31.16 1wis h PRO 31 CO 0.00 -0.19 -0.34 0.54 -0.23 0.00 0.00 178.00 177.78 1wis n ARG 32 N -5.00 0.86 -3.71 0.86 1.74 -1.26 -3.91 116.66 106.24 1wis n ARG 32 Ca -0.04 -2.24 -0.13 0.00 -0.77 0.00 0.00 57.85 54.67 1wis n ARG 32 Cb 0.14 -1.09 -0.10 0.00 -1.02 0.00 0.00 32.46 30.39 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 -2.36 -0.49 0.05 0.55 0.01 -1.26 -2.05 113.70 108.15 1wis s SER 33 Ca 0.25 0.92 -0.09 0.00 1.31 0.00 0.00 55.95 58.34 1wis s SER 33 Cb 0.24 0.91 0.00 0.00 0.21 0.00 0.00 66.02 67.38 1wis s SER 33 CO -0.02 -0.17 0.20 0.68 0.41 0.00 0.00 173.24 174.34 1wis s VAL 34 N 0.48 0.12 -0.29 3.43 -7.23 -1.17 0.39 120.40 116.13 1wis s VAL 34 Ca -0.02 -0.97 -0.13 0.00 -1.81 0.00 0.00 61.98 59.05 1wis s VAL 34 Cb -0.04 -1.03 -0.04 0.00 0.56 0.00 0.00 36.38 35.83 1wis s VAL 34 CO -0.02 -0.54 0.28 -0.89 -0.31 0.00 0.00 175.10 173.62 1wis s THR 35 N -2.93 5.24 -0.31 5.32 2.01 -0.89 0.47 115.64 124.55 1wis s THR 35 Ca -0.02 0.29 -0.09 0.00 0.31 0.00 0.00 61.69 62.18 1wis s THR 35 Cb 0.01 -3.63 0.00 0.00 0.01 0.00 0.00 72.50 68.89 1wis s THR 35 CO -0.06 0.17 0.13 -0.22 -0.69 0.00 0.00 174.62 173.95 1wis s LEU 36 N 1.90 4.07 0.40 4.42 0.20 -0.48 -2.54 118.68 126.64 1wis s LEU 36 Ca 0.10 -0.64 -0.04 0.00 0.69 0.00 0.00 54.13 54.24 1wis s LEU 36 Cb -0.16 -1.96 -0.04 0.00 -0.43 0.00 0.00 46.19 43.60 1wis s LEU 36 CO 0.11 -0.21 0.68 -1.10 -0.29 0.00 0.00 176.35 175.53 1wis s GLN 37 N 1.56 3.57 0.09 1.98 -0.21 -0.99 -2.96 119.66 122.70 1wis s GLN 37 Ca 0.04 0.05 -0.25 0.00 0.02 0.00 0.00 55.36 55.21 1wis s GLN 37 Cb -0.17 -2.50 0.09 0.00 1.00 0.00 0.00 33.01 31.42 1wis s GLN 37 CO 0.05 -0.01 1.16 -0.59 -2.12 0.00 0.00 175.29 173.77 1wis s PHE 38 N -2.46 0.05 -0.09 0.91 -0.71 -1.05 -2.82 117.98 111.81 1wis s PHE 38 Ca 0.45 -0.31 -0.06 0.00 -1.04 0.00 0.00 56.93 55.97 1wis s PHE 38 Cb -0.10 0.63 0.04 0.00 -1.21 0.00 0.00 43.02 42.38 1wis s PHE 38 CO 0.38 -0.61 0.22 -0.98 -1.34 0.00 0.00 175.22 172.89 1wis s ARG 39 N -2.10 0.20 -0.43 1.99 1.70 -0.80 -4.67 118.95 114.84 1wis s ARG 39 Ca 0.25 0.42 -0.29 0.00 -0.47 0.00 0.00 55.73 55.65 1wis s ARG 39 Cb -0.02 -0.05 0.01 0.00 -0.57 0.00 0.00 34.95 34.32 1wis s ARG 39 CO 0.02 -0.12 1.42 -1.25 -1.08 0.00 0.00 175.30 174.30 1wis s PRO 40 N 0.86 3.52 0.00 3.89 0.04 -1.26 -3.25 135.00 138.80 1wis s PRO 40 Ca -0.06 0.88 0.00 0.00 0.04 0.00 0.00 61.00 61.85 1wis s PRO 40 Cb -0.08 -4.05 0.00 0.00 0.04 0.00 0.00 34.50 30.42 1wis s PRO 40 CO -0.05 -1.64 0.34 0.41 0.04 0.00 0.00 177.00 176.10 1wis n GLY 41 N 5.12 -1.05 2.99 0.56 0.00 -1.26 -4.77 105.19 106.79 1wis n GLY 41 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.89 3.03 0.10 1.61 6.14 -1.26 -4.97 117.35 121.11 1wis s TYR 42 Ca 0.00 -2.30 -0.25 0.00 0.64 0.00 0.00 57.07 55.16 1wis s TYR 42 Cb 0.00 -2.08 -0.12 0.00 0.42 0.00 0.00 41.96 40.18 1wis s TYR 42 CO 0.00 -0.87 1.70 -0.44 0.64 0.00 0.00 175.55 176.58 1wis h ASP 43 N 7.80 -0.28 0.00 4.32 3.32 -1.86 0.37 116.42 130.10 1wis h ASP 43 Ca -0.14 0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.94 1wis h ASP 43 Cb 1.04 0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.69 1wis h ASP 43 CO 0.46 -0.16 0.00 0.61 -1.72 0.00 0.00 179.24 178.44 1wis n GLY 44 N -1.22 0.76 2.73 2.75 0.00 -1.26 -3.30 105.19 105.65 1wis n GLY 44 Ca -0.07 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.82 -3.65 1.61 5.02 -1.26 -3.31 118.16 113.75 1wis n LYS 45 Ca 0.00 0.68 -0.04 0.00 -2.02 0.00 0.00 58.31 56.93 1wis n LYS 45 Cb 0.00 -5.36 -0.07 0.00 -0.02 0.00 0.00 35.03 29.59 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 -2.83 0.00 0.99 -0.18 -1.32 -1.26 -4.89 115.64 106.15 1wis s THR 46 Ca 0.13 0.00 -0.11 0.00 -1.21 0.00 0.00 61.69 60.50 1wis s THR 46 Cb -0.07 -1.00 0.19 0.00 -1.51 0.00 0.00 72.50 70.11 1wis s THR 46 CO 0.17 0.00 1.09 -0.94 -2.21 0.00 0.00 174.62 172.72 1wis s SER 47 N 0.43 2.46 0.25 8.08 1.04 -1.26 -4.68 113.70 120.00 1wis s SER 47 Ca 0.02 1.73 -0.26 0.00 0.48 0.00 0.00 55.95 57.91 1wis s SER 47 Cb -0.04 -2.35 -0.09 0.00 0.10 0.00 0.00 66.02 63.64 1wis s SER 47 CO -0.12 -3.31 0.87 -0.63 0.98 0.00 0.00 173.24 171.03 1wis s ILE 48 N -2.68 4.25 -0.10 -1.02 -1.09 -1.26 -4.73 121.20 114.57 1wis s ILE 48 Ca 0.66 1.81 0.15 0.00 -2.23 0.00 0.00 60.65 61.04 1wis s ILE 48 Cb -0.22 -4.12 -0.23 0.00 -1.58 0.00 0.00 42.46 36.31 1wis s ILE 48 CO 0.60 0.36 0.50 -0.24 -1.23 0.00 0.00 174.94 174.92 1wis n SER 49 N 1.12 0.59 -3.63 3.58 2.88 0.44 -4.33 113.62 114.28 1wis n SER 49 Ca -0.02 0.28 -0.08 0.00 -1.33 0.00 0.00 58.87 57.72 1wis n SER 49 Cb 0.49 0.32 -0.07 0.00 -0.75 0.00 0.00 64.21 64.21 1wis n SER 49 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 1wis s ARG 50 N -2.62 0.41 -0.12 -1.46 3.00 -1.15 -1.84 118.95 115.17 1wis s ARG 50 Ca -0.06 0.40 -0.07 0.00 -1.00 0.00 0.00 55.73 55.00 1wis s ARG 50 Cb 0.08 0.20 -0.04 0.00 0.00 0.00 0.00 34.95 35.19 1wis s ARG 50 CO 0.83 -0.07 0.13 -1.58 0.00 0.00 0.00 175.30 174.61 1wis s TRP 51 N -0.06 3.54 -0.16 5.12 0.52 0.12 -1.76 118.94 126.25 1wis s TRP 51 Ca 0.03 0.48 -0.05 0.00 0.02 0.00 0.00 56.10 56.59 1wis s TRP 51 Cb -0.04 -1.95 -0.03 0.00 -1.15 0.00 0.00 33.47 30.30 1wis s TRP 51 CO -0.07 0.67 -0.01 -0.51 0.02 0.00 0.00 176.95 177.05 1wis s LEU 52 N -0.89 3.38 -0.29 2.99 1.02 -0.39 -1.68 118.68 122.82 1wis s LEU 52 Ca 0.14 -0.09 0.03 0.00 0.02 0.00 0.00 54.13 54.23 1wis s LEU 52 Cb -0.12 -1.83 0.08 0.00 0.02 0.00 0.00 46.19 44.34 1wis s LEU 52 CO 0.03 0.16 -0.01 -0.69 0.02 0.00 0.00 176.35 175.86 1wis s VAL 53 N 0.41 1.95 0.50 -1.59 1.01 0.28 -0.60 120.40 122.36 1wis s VAL 53 Ca -0.02 -1.81 0.06 0.00 0.00 0.00 0.00 61.98 60.21 1wis s VAL 53 Cb -0.14 -2.28 0.04 0.00 0.00 0.00 0.00 36.38 34.00 1wis s VAL 53 CO 0.02 -0.34 0.68 -1.61 0.00 0.00 0.00 175.10 173.86 1wis s GLU 54 N 1.13 2.60 0.03 2.72 2.02 -1.25 -0.77 118.70 125.18 1wis s GLU 54 Ca 0.02 -1.20 -0.27 0.00 0.02 0.00 0.00 54.97 53.53 1wis s GLU 54 Cb -0.19 -2.65 0.09 0.00 0.10 0.00 0.00 34.13 31.48 1wis s GLU 54 CO -0.08 -0.55 0.79 0.00 0.02 0.00 0.00 175.26 175.43 1wis s ALA 55 N -2.55 -1.76 0.30 5.21 0.00 -0.90 -1.83 121.76 120.23 1wis s ALA 55 Ca 0.57 0.94 0.10 0.00 0.00 0.00 0.00 51.96 53.57 1wis s ALA 55 Cb -0.09 0.41 -0.05 0.00 0.00 0.00 0.00 23.12 23.39 1wis s ALA 55 CO 0.36 -0.64 -0.04 -1.14 0.00 0.00 0.00 175.76 174.30 1wis s GLN 56 N -2.93 2.08 -0.15 0.00 0.74 -1.23 -3.64 119.66 114.53 1wis s GLN 56 Ca 0.01 -1.63 -0.10 0.00 0.05 0.00 0.00 55.36 53.69 1wis s GLN 56 Cb -0.01 -1.98 -0.05 0.00 1.10 0.00 0.00 33.01 32.07 1wis s GLN 56 CO -0.07 0.26 0.19 0.08 -0.55 0.00 0.00 175.29 175.19 1wis s VAL 57 N -2.45 5.39 0.00 1.34 1.01 -1.26 -3.46 120.40 120.98 1wis s VAL 57 Ca 0.33 0.32 0.00 0.00 0.00 0.00 0.00 61.98 62.62 1wis s VAL 57 Cb -0.03 -3.50 0.00 0.00 0.00 0.00 0.00 36.38 32.85 1wis s VAL 57 CO 0.19 0.50 0.00 0.61 0.00 0.00 0.00 175.10 176.40 1wis n GLY 58 N 2.83 0.49 3.68 4.51 0.00 -0.18 -4.40 105.19 112.12 1wis n GLY 58 Ca -0.16 0.48 -0.60 0.00 0.00 0.00 0.00 46.02 45.73 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 0.20 -3.90 1.61 3.14 -1.26 -4.65 118.33 113.47 1wis n VAL 59 Ca 0.00 -0.05 -0.28 0.00 -2.96 0.00 0.00 64.34 61.05 1wis n VAL 59 Cb 0.00 -1.01 -0.12 0.00 -1.06 0.00 0.00 33.84 31.65 1wis n VAL 59 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 1wis s VAL 60 N 3.77 2.79 0.08 1.55 1.01 -1.26 -4.91 120.40 123.44 1wis s VAL 60 Ca 1.02 -4.09 -0.27 0.00 0.00 0.00 0.00 61.98 58.65 1wis s VAL 60 Cb -1.20 -2.85 0.08 0.00 0.00 0.00 0.00 36.38 32.40 1wis s VAL 60 CO 0.70 -0.97 0.99 -0.83 0.00 0.00 0.00 175.10 174.98 1wis s GLY 61 N -1.23 -0.31 1.05 4.51 0.00 -1.26 -5.14 107.32 104.93 1wis s GLY 61 Ca 0.24 0.46 -0.21 0.00 0.00 0.00 0.00 44.72 45.20 1wis s GLY 61 CO -0.14 0.12 -0.56 -1.84 0.00 0.00 0.00 173.10 170.68 1wis n GLU 62 N -0.40 -0.73 0.00 2.90 -0.00 -1.26 -3.31 120.64 117.83 1wis n GLU 62 Ca -0.07 -0.20 0.00 0.00 -0.00 0.00 0.00 57.16 56.89 1wis n GLU 62 Cb 0.61 -1.41 0.00 0.00 -0.00 0.00 0.00 31.44 30.64 1wis n GLU 62 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1wis n GLY 63 N 2.62 2.56 3.79 -1.84 0.00 -1.26 -4.99 105.19 106.06 1wis n GLY 63 Ca 0.00 -0.57 -0.30 0.00 0.00 0.00 0.00 46.02 45.16 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 -0.02 0.23 1.61 0.41 -1.21 -5.08 118.70 114.64 1wis s GLU 64 Ca 0.00 -0.23 0.10 0.00 -0.41 0.00 0.00 54.97 54.43 1wis s GLU 64 Cb 0.00 -1.75 -0.04 0.00 -1.78 0.00 0.00 34.13 30.56 1wis s GLU 64 CO 0.00 -2.89 -0.07 -1.83 -0.49 0.00 0.00 175.26 169.98 1wis s GLU 65 N -5.66 2.11 -0.20 1.61 -1.05 -1.26 -5.05 118.70 109.20 1wis s GLU 65 Ca 0.72 -1.41 -0.01 0.00 -0.15 0.00 0.00 54.97 54.12 1wis s GLU 65 Cb -0.07 -2.10 0.01 0.00 -0.44 0.00 0.00 34.13 31.53 1wis s GLU 65 CO 0.54 0.39 -0.14 -1.58 0.95 0.00 0.00 175.26 175.42 1wis s TRP 66 N -2.10 2.85 0.22 4.83 0.52 -1.26 -4.80 118.94 119.21 1wis s TRP 66 Ca 0.28 -1.35 0.08 0.00 0.02 0.00 0.00 56.10 55.13 1wis s TRP 66 Cb -0.07 -1.99 -0.04 0.00 -1.15 0.00 0.00 33.47 30.22 1wis s TRP 66 CO 0.17 -0.70 0.05 -0.51 0.02 0.00 0.00 176.95 175.99 1wis s LEU 67 N 1.35 3.41 0.52 2.99 1.43 -1.24 -4.91 118.68 122.22 1wis s LEU 67 Ca 0.05 -0.44 -0.20 0.00 -1.03 0.00 0.00 54.13 52.52 1wis s LEU 67 Cb -0.14 -1.99 -0.07 0.00 0.03 0.00 0.00 46.19 44.03 1wis s LEU 67 CO -0.09 0.03 1.07 -0.22 0.23 0.00 0.00 176.35 177.37 1wis s LEU 68 N -3.41 3.78 0.00 1.79 2.96 -1.26 -2.12 118.68 120.42 1wis s LEU 68 Ca 0.30 2.01 0.00 0.00 -0.22 0.00 0.00 54.13 56.22 1wis s LEU 68 Cb -0.08 -4.57 0.00 0.00 0.50 0.00 0.00 46.19 42.04 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 -1.17 0.00 -4.47 6.68 -5.35 0.05 -4.88 119.36 110.23 1wis n ILE 69 Ca 0.10 0.00 -0.20 0.00 -0.27 0.00 0.00 62.75 62.38 1wis n ILE 69 Cb 0.52 -0.34 -0.15 0.00 -1.74 0.00 0.00 39.64 37.93 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 -1.53 0.96 -0.12 4.28 5.04 -0.53 -4.91 115.29 118.48 1wis s HIS 70 Ca 0.00 -0.18 -0.06 0.00 -1.54 0.00 0.00 55.06 53.28 1wis s HIS 70 Cb 0.00 -0.62 0.06 0.00 0.04 0.00 0.00 32.58 32.05 1wis s HIS 70 CO 0.00 -0.02 0.28 1.14 -2.34 0.00 0.00 174.74 173.80 1wis s GLN 71 N -0.25 0.21 -0.39 2.88 -2.07 -1.26 0.10 119.66 118.88 1wis s GLN 71 Ca 0.04 0.65 -0.12 0.00 -1.82 0.00 0.00 55.36 54.12 1wis s GLN 71 Cb -0.04 -0.07 0.04 0.00 -1.09 0.00 0.00 33.01 31.85 1wis s GLN 71 CO -0.00 -0.20 0.24 -1.17 -1.32 0.00 0.00 175.29 172.83 1wis s LEU 72 N 1.70 4.89 -0.01 2.60 2.96 -0.68 -4.90 118.68 125.23 1wis s LEU 72 Ca -0.06 -1.07 -0.03 0.00 -0.22 0.00 0.00 54.13 52.75 1wis s LEU 72 Cb -0.11 -2.05 -0.04 0.00 0.50 0.00 0.00 46.19 44.49 1wis s LEU 72 CO -0.09 -0.43 0.19 -0.44 -1.32 0.00 0.00 176.35 174.25 1wis s SER 73 N 1.69 6.38 -0.60 3.68 0.01 -1.26 -0.70 113.70 122.90 1wis s SER 73 Ca 0.02 0.37 -0.11 0.00 1.31 0.00 0.00 55.95 57.54 1wis s SER 73 Cb -0.20 -2.01 0.01 0.00 0.21 0.00 0.00 66.02 64.03 1wis s SER 73 CO 0.07 0.27 0.65 -3.20 0.41 0.00 0.00 173.24 171.43 1wis n ASN 74 N 1.00 -7.23 0.00 2.44 5.15 -0.77 -4.99 115.26 110.87 1wis n ASN 74 Ca -0.11 0.04 0.00 0.00 -0.60 0.00 0.00 54.58 53.91 1wis n ASN 74 Cb 0.53 -4.47 0.00 0.00 -0.53 0.00 0.00 39.78 35.31 1wis n ASN 74 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 1wis n GLU 75 N -1.13 0.00 0.00 1.20 2.13 -1.26 -5.00 120.64 116.58 1wis n GLU 75 Ca -0.00 0.00 0.12 0.00 0.66 0.00 0.00 57.16 57.94 1wis n GLU 75 Cb 0.53 0.00 0.71 0.00 0.27 0.00 0.00 31.44 32.95 1wis n GLU 75 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 1wis n PRO 76 N 0.00 0.73 -2.31 5.31 -0.04 -1.26 -3.18 135.00 134.25 1wis n PRO 76 Ca 0.00 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.16 1wis n PRO 76 Cb 0.00 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 31.97 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 -1.02 5.47 -3.80 3.54 9.92 -1.26 -4.88 116.55 124.53 1wis n ASP 77 Ca 0.18 -3.75 -0.30 0.00 -0.53 0.00 0.00 54.79 50.38 1wis n ASP 77 Cb 0.09 -0.62 -0.14 0.00 -0.64 0.00 0.00 41.12 39.81 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 -3.68 2.17 0.36 2.24 0.00 -1.19 -4.96 121.76 116.68 1wis s ALA 78 Ca 0.49 -2.29 0.04 0.00 0.00 0.00 0.00 51.96 50.21 1wis s ALA 78 Cb 0.41 -1.83 0.66 0.00 0.00 0.00 0.00 23.12 22.37 1wis s ALA 78 CO -0.24 -1.83 1.95 -0.09 0.00 0.00 0.00 175.76 175.55 1wis h ARG 79 N 7.41 0.61 -4.29 0.00 9.65 -1.91 -3.45 114.38 122.41 1wis h ARG 79 Ca -0.07 -0.08 -0.18 0.00 -1.10 0.00 0.00 59.98 58.55 1wis h ARG 79 Cb 0.98 -0.11 -0.13 0.00 -1.39 0.00 0.00 29.97 29.31 1wis h ARG 79 CO 0.50 0.51 -0.48 0.45 2.80 0.00 0.00 179.97 183.76 1wis s SER 80 N -6.66 0.10 0.10 -3.80 0.15 -1.26 -2.52 113.70 99.80 1wis s SER 80 Ca -0.08 -1.21 -0.25 0.00 0.70 0.00 0.00 55.95 55.10 1wis s SER 80 Cb 0.16 0.42 0.08 0.00 -1.71 0.00 0.00 66.02 64.98 1wis s SER 80 CO 0.76 -0.90 0.72 0.00 1.20 0.00 0.00 173.24 175.02 1wis s MET 81 N -4.10 1.11 0.17 5.44 0.23 -1.16 -5.02 119.30 115.98 1wis s MET 81 Ca 0.31 -0.42 -0.19 0.00 -1.03 0.00 0.00 55.69 54.37 1wis s MET 81 Cb 0.05 0.50 -0.08 0.00 -1.53 0.00 0.00 34.83 33.78 1wis s MET 81 CO 0.09 -0.48 0.66 -2.00 -2.03 0.00 0.00 175.02 171.26 1wis s GLU 82 N -3.50 4.21 -0.53 3.16 2.12 -1.26 -1.38 118.70 121.52 1wis s GLU 82 Ca 0.03 0.79 -0.01 0.00 0.36 0.00 0.00 54.97 56.13 1wis s GLU 82 Cb -0.01 -2.99 0.14 0.00 0.26 0.00 0.00 34.13 31.53 1wis s GLU 82 CO -0.11 0.47 0.32 0.08 -0.54 0.00 0.00 175.26 175.49 1wis s VAL 83 N -1.40 3.34 0.29 3.70 1.01 0.18 -4.94 120.40 122.57 1wis s VAL 83 Ca 0.39 -2.72 -0.05 0.00 0.00 0.00 0.00 61.98 59.59 1wis s VAL 83 Cb -0.17 -3.24 0.07 0.00 0.00 0.00 0.00 36.38 33.04 1wis s VAL 83 CO 0.21 -0.80 0.32 -0.81 0.00 0.00 0.00 175.10 174.02 1wis n PRO 84 N 3.79 -0.96 -3.55 2.72 -0.04 -1.26 -3.04 135.00 132.66 1wis n PRO 84 Ca 0.04 -0.50 -0.20 0.00 -0.04 0.00 0.00 63.50 62.81 1wis n PRO 84 Cb 0.38 -0.39 0.01 0.00 -0.04 0.00 0.00 33.50 33.46 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 -3.36 -5.85 -4.41 3.54 9.92 -1.08 -4.83 116.55 110.48 1wis n ASP 85 Ca 0.04 -0.72 -0.29 0.00 -0.53 0.00 0.00 54.79 53.29 1wis n ASP 85 Cb 0.15 -3.21 -0.13 0.00 -0.64 0.00 0.00 41.12 37.29 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 -5.15 2.38 -0.34 0.64 1.43 -0.87 -5.01 118.68 111.77 1wis s LEU 86 Ca 0.14 -0.74 -0.23 0.00 -1.03 0.00 0.00 54.13 52.28 1wis s LEU 86 Cb -0.05 -1.26 0.00 0.00 0.03 0.00 0.00 46.19 44.91 1wis s LEU 86 CO 0.85 0.17 0.77 0.20 0.23 0.00 0.00 176.35 178.56 1wis s ASN 87 N -2.13 6.59 0.59 2.29 -0.87 -1.26 -4.52 114.94 115.62 1wis s ASN 87 Ca 0.15 0.48 -0.15 0.00 -1.57 0.00 0.00 52.86 51.76 1wis s ASN 87 Cb -0.10 -2.39 -0.04 0.00 -0.02 0.00 0.00 41.25 38.70 1wis s ASN 87 CO 0.07 -0.66 1.05 -2.16 -2.57 0.00 0.00 177.10 172.83 1wis s PRO 88 N 2.98 3.37 -1.62 -0.60 0.04 -1.25 -3.63 135.00 134.29 1wis s PRO 88 Ca 0.31 1.15 -0.15 0.00 0.04 0.00 0.00 61.00 62.35 1wis s PRO 88 Cb -0.14 -2.04 0.12 0.00 0.04 0.00 0.00 34.50 32.48 1wis s PRO 88 CO 0.15 -0.77 0.80 0.34 0.04 0.00 0.00 177.00 177.56 1wis n PHE 89 N -2.06 -1.89 -3.75 0.56 7.35 -0.73 -4.94 117.46 111.99 1wis n PHE 89 Ca 0.08 0.82 -0.12 0.00 -0.76 0.00 0.00 57.45 57.47 1wis n PHE 89 Cb 0.53 -3.35 -0.12 0.00 0.35 0.00 0.00 39.48 36.89 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 -3.38 -0.02 -0.27 -2.13 2.01 -1.24 -4.98 115.64 105.64 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 -0.33 -0.41 -0.00 0.00 0.01 0.00 0.00 72.50 71.77 1wis s THR 90 CO 0.90 0.03 1.32 0.00 -0.69 0.00 0.00 174.62 176.18 1wis s TYR 92 N 4.28 0.99 0.45 0.00 1.51 -1.26 -1.01 117.35 122.31 1wis s TYR 92 Ca 0.57 -0.97 0.05 0.00 -1.01 0.00 0.00 57.07 55.71 1wis s TYR 92 Cb -0.18 -0.57 -0.05 0.00 -0.11 0.00 0.00 41.96 41.04 1wis s TYR 92 CO 0.22 -0.20 0.02 0.45 -1.11 0.00 0.00 175.55 174.93 1wis s SER 93 N -3.09 4.02 -0.11 2.29 0.15 -1.22 -4.20 113.70 111.53 1wis s SER 93 Ca 0.17 -1.46 -0.19 0.00 0.70 0.00 0.00 55.95 55.16 1wis s SER 93 Cb 0.06 -0.04 0.05 0.00 -1.71 0.00 0.00 66.02 64.38 1wis s SER 93 CO -0.01 -0.62 0.48 -0.36 1.20 0.00 0.00 173.24 173.93 1wis s PHE 94 N -2.77 -0.47 0.00 3.44 0.08 -1.26 -3.49 117.98 113.51 1wis s PHE 94 Ca 0.24 1.01 0.00 0.00 0.12 0.00 0.00 56.93 58.30 1wis s PHE 94 Cb 0.06 0.21 0.00 0.00 -0.57 0.00 0.00 43.02 42.72 1wis s PHE 94 CO 0.13 -0.36 0.00 2.89 -0.10 0.00 0.00 175.22 177.77 1wis n ARG 95 N 2.03 0.74 -4.07 0.44 1.85 -0.76 -2.01 116.66 114.88 1wis n ARG 95 Ca -0.17 0.00 -0.07 0.00 -1.00 0.00 0.00 57.85 56.61 1wis n ARG 95 Cb 0.56 0.00 -0.10 0.00 -1.05 0.00 0.00 32.46 31.88 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 -1.71 0.63 -0.05 2.89 -1.94 -1.26 -3.94 119.30 113.92 1wis s MET 96 Ca 0.00 -1.20 -0.27 0.00 -1.71 0.00 0.00 55.69 52.51 1wis s MET 96 Cb 0.00 0.22 0.06 0.00 2.01 0.00 0.00 34.83 37.12 1wis s MET 96 CO 0.00 -0.12 0.60 1.03 -0.01 0.00 0.00 175.02 176.51 1wis s ARG 97 N -3.92 0.96 -0.04 2.03 0.52 0.23 -3.20 118.95 115.54 1wis s ARG 97 Ca 0.07 0.19 0.04 0.00 -0.52 0.00 0.00 55.73 55.52 1wis s ARG 97 Cb 0.08 0.45 -0.03 0.00 0.52 0.00 0.00 34.95 35.97 1wis s ARG 97 CO -0.10 -0.29 -0.15 -0.65 0.02 0.00 0.00 175.30 174.13 1wis s GLN 98 N -1.14 2.42 -0.07 3.54 -0.21 -1.26 -1.26 119.66 121.69 1wis s GLN 98 Ca -0.11 -0.75 0.01 0.00 0.02 0.00 0.00 55.36 54.54 1wis s GLN 98 Cb -0.01 -2.33 0.02 0.00 1.00 0.00 0.00 33.01 31.68 1wis s GLN 98 CO 0.08 0.61 -0.09 0.08 -2.12 0.00 0.00 175.29 173.85 1wis s VAL 99 N -0.75 0.95 0.38 1.09 1.01 -0.72 -1.73 120.40 120.62 1wis s VAL 99 Ca 0.12 -0.35 0.06 0.00 0.00 0.00 0.00 61.98 61.81 1wis s VAL 99 Cb -0.11 -0.91 -0.02 0.00 0.00 0.00 0.00 36.38 35.34 1wis s VAL 99 CO 0.01 0.32 0.22 0.54 0.00 0.00 0.00 175.10 176.19 1wis s ASN 100 N 0.92 2.27 0.51 3.32 4.22 -0.87 0.17 114.94 125.47 1wis s ASN 100 Ca -0.10 -1.75 0.27 0.00 -2.14 0.00 0.00 52.86 49.14 1wis s ASN 100 Cb -0.15 0.58 1.49 0.00 1.28 0.00 0.00 41.25 44.45 1wis s ASN 100 CO 0.01 -1.03 1.81 -0.29 -2.04 0.00 0.00 177.10 175.56 1wis h ILE 101 N 1.94 0.00 0.00 0.54 6.09 -1.94 -2.66 117.51 121.49 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 0.61 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 -2.59 0.00 -3.33 2.19 0.31 -1.26 -5.06 118.33 108.59 1wis n VAL 102 Ca -0.02 0.50 0.00 0.00 -0.01 0.00 0.00 64.34 64.81 1wis n VAL 102 Cb 0.22 -1.37 0.00 0.00 -0.91 0.00 0.00 33.84 31.79 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 1.86 0.95 3.52 2.92 0.00 -1.00 -5.04 105.19 108.39 1wis n GLY 103 Ca 0.00 -0.74 -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 -2.21 4.38 1.09 2.61 2.01 -1.26 -2.05 115.64 120.21 1wis s THR 104 Ca 0.00 -0.16 -0.15 0.00 0.31 0.00 0.00 61.69 61.68 1wis s THR 104 Cb 0.00 -3.00 0.24 0.00 0.01 0.00 0.00 72.50 69.75 1wis s THR 104 CO 0.00 0.41 1.09 -0.94 -0.69 0.00 0.00 174.62 174.50 1wis s SER 105 N 0.94 1.82 0.99 3.53 1.04 -0.71 -5.01 113.70 116.31 1wis s SER 105 Ca 0.03 0.97 -0.15 0.00 0.48 0.00 0.00 55.95 57.28 1wis s SER 105 Cb -0.14 -1.48 0.19 0.00 0.10 0.00 0.00 66.02 64.69 1wis s SER 105 CO 0.02 -3.60 1.18 -2.16 0.98 0.00 0.00 173.24 169.66 1wis s PRO 106 N -5.11 0.46 0.26 4.02 0.04 -1.26 -4.72 135.00 128.69 1wis s PRO 106 Ca 0.68 0.03 -0.30 0.00 0.04 0.00 0.00 61.00 61.45 1wis s PRO 106 Cb -0.15 -1.78 -0.09 0.00 0.04 0.00 0.00 34.50 32.51 1wis s PRO 106 CO 0.57 -2.61 1.08 -1.25 0.04 0.00 0.00 177.00 174.84 1wis s PRO 107 N -5.46 4.66 0.30 0.56 0.04 -1.26 -4.78 135.00 129.05 1wis s PRO 107 Ca 0.68 1.76 -0.01 0.00 0.04 0.00 0.00 61.00 63.47 1wis s PRO 107 Cb -0.11 -3.21 -0.04 0.00 0.04 0.00 0.00 34.50 31.18 1wis s PRO 107 CO 0.54 0.23 0.51 0.45 0.04 0.00 0.00 177.00 178.77 1wis s SER 108 N -0.81 6.36 0.07 6.66 0.15 -1.19 -5.00 113.70 119.93 1wis s SER 108 Ca 0.45 0.52 -0.36 0.00 0.70 0.00 0.00 55.95 57.26 1wis s SER 108 Cb -0.31 -2.06 -0.19 0.00 -1.71 0.00 0.00 66.02 61.75 1wis s SER 108 CO 0.39 -0.21 0.95 0.00 1.20 0.00 0.00 173.24 175.58 1wis n GLN 109 N -1.26 0.16 -1.98 5.44 1.13 -1.26 -4.54 117.38 115.07 1wis n GLN 109 Ca -0.04 0.06 -0.32 0.00 -1.94 0.00 0.00 57.00 54.76 1wis n GLN 109 Cb 0.55 -1.43 0.01 0.00 0.11 0.00 0.00 30.24 29.48 1wis n GLN 109 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 1wis s PRO 110 N -0.27 3.30 0.73 -1.09 0.04 -1.26 -4.79 135.00 131.66 1wis s PRO 110 Ca 0.82 1.13 -0.11 0.00 0.04 0.00 0.00 61.00 62.87 1wis s PRO 110 Cb -1.13 -2.03 0.03 0.00 0.04 0.00 0.00 34.50 31.40 1wis s PRO 110 CO 0.56 -0.82 1.10 -1.54 0.04 0.00 0.00 177.00 176.34 1wis s SER 111 N -3.03 5.22 0.99 6.66 1.04 -0.85 -4.99 113.70 118.73 1wis s SER 111 Ca 0.62 1.14 -0.11 0.00 0.48 0.00 0.00 55.95 58.08 1wis s SER 111 Cb -0.15 -1.91 0.18 0.00 0.10 0.00 0.00 66.02 64.24 1wis s SER 111 CO 0.40 -1.49 1.10 -0.13 0.98 0.00 0.00 173.24 174.11 1wis s ARG 112 N -5.34 0.48 0.17 4.02 0.52 -1.26 -4.67 118.95 112.87 1wis s ARG 112 Ca 0.59 1.25 -0.30 0.00 -0.52 0.00 0.00 55.73 56.75 1wis s ARG 112 Cb -0.12 -1.69 -0.07 0.00 0.52 0.00 0.00 34.95 33.59 1wis s ARG 112 CO 0.52 -2.90 1.15 0.15 0.02 0.00 0.00 175.30 174.24 1wis s LYS 113 N -4.62 4.53 0.38 3.54 1.02 -1.26 -4.89 119.74 118.43 1wis s LYS 113 Ca 0.67 1.79 0.05 0.00 0.02 0.00 0.00 55.97 58.49 1wis s LYS 113 Cb -0.23 -3.27 -0.03 0.00 -0.52 0.00 0.00 37.83 33.78 1wis s LYS 113 CO 0.60 -0.04 0.18 0.96 -0.92 0.00 0.00 175.35 176.14 1wis s ILE 114 N 0.00 0.35 -0.13 2.17 -5.25 -1.26 -5.08 121.20 112.01 1wis s ILE 114 Ca 0.52 -2.00 -0.01 0.00 -0.99 0.00 0.00 60.65 58.17 1wis s ILE 114 Cb -0.31 -2.40 0.03 0.00 2.95 0.00 0.00 42.46 42.74 1wis s ILE 114 CO 0.35 0.00 -0.06 -1.58 -1.79 0.00 0.00 174.94 171.86 1wis s GLN 115 N -3.62 1.42 0.36 0.37 0.74 -1.26 -4.15 119.66 113.50 1wis s GLN 115 Ca 0.30 -0.32 -0.26 0.00 0.05 0.00 0.00 55.36 55.13 1wis s GLN 115 Cb 0.02 -1.70 -0.09 0.00 1.10 0.00 0.00 33.01 32.34 1wis s GLN 115 CO 0.19 -0.33 1.10 0.95 -0.55 0.00 0.00 175.29 176.64 1wis s THR 116 N 1.70 3.50 1.25 -0.34 -4.23 -1.26 -4.94 115.64 111.32 1wis s THR 116 Ca 0.03 1.29 -0.15 0.00 -1.18 0.00 0.00 61.69 61.68 1wis s THR 116 Cb -0.14 -3.74 0.32 0.00 1.34 0.00 0.00 72.50 70.28 1wis s THR 116 CO -0.08 0.15 0.99 -0.76 -0.54 0.00 0.00 174.62 174.38 1wis s LEU 117 N -2.19 0.19 0.22 4.79 1.43 -0.28 -1.78 118.68 121.06 1wis s LEU 117 Ca 0.53 1.35 -0.17 0.00 -1.03 0.00 0.00 54.13 54.81 1wis s LEU 117 Cb -0.28 -3.10 -0.08 0.00 0.03 0.00 0.00 46.19 42.77 1wis s LEU 117 CO 0.35 -4.63 0.67 -1.10 0.23 0.00 0.00 176.35 171.87 1wis s GLN 118 N -4.56 4.12 -0.66 1.70 -0.21 -1.26 -3.00 119.66 115.78 1wis s GLN 118 Ca 0.69 0.71 -0.18 0.00 0.02 0.00 0.00 55.36 56.60 1wis s GLN 118 Cb -0.23 -2.80 0.13 0.00 1.00 0.00 0.00 33.01 31.11 1wis s GLN 118 CO 0.64 0.37 0.74 0.45 -2.12 0.00 0.00 175.29 175.37 1wis s SER 119 N -1.81 6.33 0.00 5.90 0.15 -1.26 -4.79 113.70 118.21 1wis s SER 119 Ca 0.44 -1.74 0.00 0.00 0.70 0.00 0.00 55.95 55.35 1wis s SER 119 Cb -0.15 -2.29 0.00 0.00 -1.71 0.00 0.00 66.02 61.87 1wis s SER 119 CO 0.20 -1.00 0.00 0.61 1.20 0.00 0.00 173.24 174.25 1wis n GLY 120 N 5.10 -0.30 3.73 9.45 0.00 -1.26 -5.10 105.19 116.80 1wis n GLY 120 Ca -0.02 -1.61 -0.42 0.00 0.00 0.00 0.00 46.02 43.97 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 -1.86 4.51 -0.36 1.61 0.04 -1.26 -4.96 135.00 132.72 1wis s PRO 121 Ca 0.00 1.73 -0.06 0.00 0.04 0.00 0.00 61.00 62.71 1wis s PRO 121 Cb 0.00 -3.32 0.21 0.00 0.04 0.00 0.00 34.50 31.43 1wis s PRO 121 CO 0.00 -0.09 1.07 0.45 0.04 0.00 0.00 177.00 178.47 1wis s SER 122 N 0.50 -0.38 0.04 6.66 0.15 -1.26 -5.16 113.70 114.24 1wis s SER 122 Ca 0.54 -0.46 0.00 0.00 0.70 0.00 0.00 55.95 56.73 1wis s SER 122 Cb -0.29 0.50 -0.03 0.00 -1.71 0.00 0.00 66.02 64.49 1wis s SER 122 CO 0.32 -0.01 -0.04 -0.94 1.20 0.00 0.00 173.24 173.77 1wis s SER 123 N 0.97 0.51 0.00 5.45 1.04 -1.26 -5.12 113.70 115.29 1wis s SER 123 Ca 0.24 -0.71 0.00 0.00 0.48 0.00 0.00 55.95 55.96 1wis s SER 123 Cb 0.12 0.12 0.00 0.00 0.10 0.00 0.00 66.02 66.35 1wis s SER 123 CO -0.10 -0.39 0.00 0.61 0.98 0.00 0.00 173.24 174.34