#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 5.60 0.07 1.61 1.04 -1.26 -5.13 113.70 115.63 1wis s SER 2 Ca 0.00 -0.14 -0.08 0.00 0.48 0.00 0.00 55.95 56.21 1wis s SER 2 Cb 0.00 -0.95 -0.00 0.00 0.10 0.00 0.00 66.02 65.16 1wis s SER 2 CO 0.00 -0.83 0.17 -0.55 0.98 0.00 0.00 173.24 173.01 1wis s SER 3 N -4.33 0.12 0.00 7.02 0.15 -1.26 -5.14 113.70 110.26 1wis s SER 3 Ca 0.53 -0.57 0.00 0.00 0.70 0.00 0.00 55.95 56.62 1wis s SER 3 Cb -0.10 0.31 0.00 0.00 -1.71 0.00 0.00 66.02 64.52 1wis s SER 3 CO 0.35 -0.65 0.00 0.61 1.20 0.00 0.00 173.24 174.76 1wis n GLY 4 N 0.26 2.75 3.95 9.45 0.00 -1.26 -5.17 105.19 115.18 1wis n GLY 4 Ca -0.17 0.07 -0.23 0.00 0.00 0.00 0.00 46.02 45.69 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 1.79 5.37 -0.12 1.61 0.01 -1.26 -5.11 113.70 116.00 1wis s SER 5 Ca 0.00 0.27 -0.05 0.00 1.31 0.00 0.00 55.95 57.49 1wis s SER 5 Cb 0.00 -1.21 0.06 0.00 0.21 0.00 0.00 66.02 65.07 1wis s SER 5 CO 0.00 -1.11 0.25 -0.55 0.41 0.00 0.00 173.24 172.23 1wis s SER 6 N -4.37 0.27 0.00 2.44 0.15 -1.26 -5.12 113.70 105.81 1wis s SER 6 Ca 0.55 0.56 0.00 0.00 0.70 0.00 0.00 55.95 57.76 1wis s SER 6 Cb -0.10 0.60 0.00 0.00 -1.71 0.00 0.00 66.02 64.81 1wis s SER 6 CO 0.41 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 175.23 1wis n GLY 7 N 5.13 0.51 3.10 9.45 0.00 -1.26 -5.00 105.19 117.14 1wis n GLY 7 Ca -0.10 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.88 1wis n GLY 7 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1wis n THR 8 N 0.00 -2.12 -2.97 2.61 5.66 -1.26 -4.84 114.28 111.36 1wis n THR 8 Ca 0.00 0.43 -0.41 0.00 -3.05 0.00 0.00 64.05 61.01 1wis n THR 8 Cb 0.00 -2.92 -0.05 0.00 -1.55 0.00 0.00 70.33 65.81 1wis n THR 8 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 175.07 172.29 1wis s ILE 9 N -1.01 4.89 -0.01 1.09 -5.25 -1.26 -5.03 121.20 114.62 1wis s ILE 9 Ca 0.05 1.41 0.02 0.00 -0.99 0.00 0.00 60.65 61.13 1wis s ILE 9 Cb -0.00 -4.05 -0.00 0.00 2.95 0.00 0.00 42.46 41.36 1wis s ILE 9 CO 0.10 -0.03 -0.06 -0.44 -1.79 0.00 0.00 174.94 172.72 1wis s SER 10 N 1.38 0.71 0.09 4.36 0.01 -1.26 -5.03 113.70 113.96 1wis s SER 10 Ca 0.32 -0.11 0.00 0.00 1.31 0.00 0.00 55.95 57.47 1wis s SER 10 Cb -0.15 -0.11 0.00 0.00 0.21 0.00 0.00 66.02 65.96 1wis s SER 10 CO 0.08 0.06 0.00 -1.20 0.41 0.00 0.00 173.24 172.59 1wis n SER 11 N 3.06 -6.97 -4.36 2.44 7.64 -1.26 -4.68 113.62 109.49 1wis n SER 11 Ca -0.14 1.09 -0.54 0.00 1.01 0.00 0.00 58.87 60.29 1wis n SER 11 Cb 0.57 -3.84 -0.10 0.00 -1.01 0.00 0.00 64.21 59.83 1wis n SER 11 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wis n GLY 12 N 1.29 0.03 1.62 0.23 0.00 -1.26 -4.26 105.19 102.83 1wis n GLY 12 Ca 0.00 1.05 0.00 0.00 0.00 0.00 0.00 46.02 47.07 1wis n GLY 12 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1wis n VAL 13 N 6.92 -4.54 -2.54 1.61 0.31 -1.26 -4.88 118.33 113.95 1wis n VAL 13 Ca 0.51 2.11 -0.35 0.00 -0.01 0.00 0.00 64.34 66.60 1wis n VAL 13 Cb 0.08 -3.06 -0.04 0.00 -0.91 0.00 0.00 33.84 29.91 1wis n VAL 13 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1wis s PRO 14 N -4.33 3.97 0.77 5.55 0.04 -1.26 -5.04 135.00 134.70 1wis s PRO 14 Ca 0.00 1.44 -0.11 0.00 0.04 0.00 0.00 61.00 62.37 1wis s PRO 14 Cb 0.00 -2.31 0.05 0.00 0.04 0.00 0.00 34.50 32.28 1wis s PRO 14 CO 0.00 -0.30 1.09 -1.25 0.04 0.00 0.00 177.00 176.58 1wis s PRO 15 N -2.88 2.32 0.44 0.56 0.04 -1.26 -5.09 135.00 129.14 1wis s PRO 15 Ca 0.63 0.72 0.04 0.00 0.04 0.00 0.00 61.00 62.42 1wis s PRO 15 Cb -0.19 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.37 1wis s PRO 15 CO 0.24 -1.48 0.03 -1.21 0.04 0.00 0.00 177.00 174.62 1wis s GLU 16 N -5.13 2.01 0.49 4.56 2.02 -1.09 -4.88 118.70 116.69 1wis s GLU 16 Ca 0.60 -2.22 -0.19 0.00 0.02 0.00 0.00 54.97 53.18 1wis s GLU 16 Cb -0.14 -1.36 -0.08 0.00 0.10 0.00 0.00 34.13 32.65 1wis s GLU 16 CO 0.54 -0.25 1.01 -0.51 0.02 0.00 0.00 175.26 176.07 1wis s LEU 17 N -3.74 3.78 0.00 1.80 1.43 -1.26 -4.65 118.68 116.04 1wis s LEU 17 Ca 0.22 1.79 0.00 0.00 -1.03 0.00 0.00 54.13 55.11 1wis s LEU 17 Cb 0.05 -4.54 0.00 0.00 0.03 0.00 0.00 46.19 41.73 1wis s LEU 17 CO 0.11 -0.71 0.00 -0.81 0.23 0.00 0.00 176.35 175.17 1wis n PRO 18 N -1.16 0.72 -4.38 1.29 -0.04 -1.24 -4.41 135.00 125.77 1wis n PRO 18 Ca 0.08 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.35 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 -1.33 1.78 -0.15 0.55 0.00 0.86 -4.90 107.32 104.13 1wis s GLY 19 Ca 0.00 -1.89 -0.29 0.00 0.00 0.00 0.00 44.72 42.54 1wis s GLY 19 CO 0.00 -1.74 1.27 2.56 0.00 0.00 0.00 173.10 175.19 1wis s PRO 20 N -3.86 4.25 0.33 2.90 0.04 -1.26 -4.54 135.00 132.86 1wis s PRO 20 Ca 0.32 1.68 -0.27 0.00 0.04 0.00 0.00 61.00 62.77 1wis s PRO 20 Cb 0.06 -3.74 -0.09 0.00 0.04 0.00 0.00 34.50 30.77 1wis s PRO 20 CO 0.12 -0.68 1.07 -1.25 0.04 0.00 0.00 177.00 176.30 1wis s PRO 21 N 3.34 4.43 0.00 0.56 0.04 -1.26 -4.66 135.00 137.45 1wis s PRO 21 Ca 0.55 1.66 0.00 0.00 0.04 0.00 0.00 61.00 63.25 1wis s PRO 21 Cb -0.22 -2.90 0.00 0.00 0.04 0.00 0.00 34.50 31.42 1wis s PRO 21 CO 0.16 0.06 0.00 0.25 0.04 0.00 0.00 177.00 177.51 1wis n THR 22 N 0.63 0.00 -1.36 1.26 -2.24 -1.23 -4.74 114.28 106.59 1wis n THR 22 Ca 0.02 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.67 1wis n THR 22 Cb 0.47 -0.06 -0.05 0.00 -2.10 0.00 0.00 70.33 68.59 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 -0.68 -4.93 -4.69 3.42 4.13 -1.26 -2.75 115.26 108.49 1wis n ASN 23 Ca 0.00 0.31 -0.42 0.00 1.68 0.00 0.00 54.58 56.15 1wis n ASN 23 Cb 0.00 -3.53 -0.03 0.00 -1.54 0.00 0.00 39.78 34.68 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 -2.85 4.37 -0.00 3.41 2.96 -1.26 -4.28 118.68 121.03 1wis s LEU 24 Ca 0.00 2.57 -0.14 0.00 -0.22 0.00 0.00 54.13 56.34 1wis s LEU 24 Cb 0.00 -3.57 0.02 0.00 0.50 0.00 0.00 46.19 43.14 1wis s LEU 24 CO 0.00 -0.91 0.29 -0.83 -1.32 0.00 0.00 176.35 173.58 1wis s GLY 25 N 2.31 -0.12 -0.32 7.98 0.00 -0.97 -4.91 107.32 111.29 1wis s GLY 25 Ca 0.75 0.20 -0.07 0.00 0.00 0.00 0.00 44.72 45.60 1wis s GLY 25 CO 0.33 -0.00 0.10 -0.42 0.00 0.00 0.00 173.10 173.11 1wis s ILE 26 N -1.58 4.01 0.34 0.90 -1.09 -1.26 -1.76 121.20 120.76 1wis s ILE 26 Ca -0.12 -0.82 0.03 0.00 -2.23 0.00 0.00 60.65 57.51 1wis s ILE 26 Cb -0.05 -3.15 -0.05 0.00 -1.58 0.00 0.00 42.46 37.64 1wis s ILE 26 CO 0.02 -0.03 0.08 -0.44 -1.23 0.00 0.00 174.94 173.34 1wis s SER 27 N 1.48 2.36 -1.58 3.58 0.01 -1.10 -4.80 113.70 113.64 1wis s SER 27 Ca 0.01 -1.45 -0.08 0.00 1.31 0.00 0.00 55.95 55.74 1wis s SER 27 Cb -0.18 0.09 0.07 0.00 0.21 0.00 0.00 66.02 66.21 1wis s SER 27 CO 0.03 -0.70 0.43 0.59 0.41 0.00 0.00 173.24 174.01 1wis n ASN 28 N -0.81 -0.99 -4.64 2.44 4.13 -1.26 -2.84 115.26 111.30 1wis n ASN 28 Ca -0.03 -1.11 -0.42 0.00 1.68 0.00 0.00 54.58 54.70 1wis n ASN 28 Cb 0.66 -2.42 -0.03 0.00 -1.54 0.00 0.00 39.78 36.46 1wis n ASN 28 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1wis s ILE 29 N -3.80 3.01 0.00 2.41 1.01 -1.26 -3.89 121.20 118.68 1wis s ILE 29 Ca 0.31 0.01 0.00 0.00 0.00 0.00 0.00 60.65 60.97 1wis s ILE 29 Cb -0.17 -3.01 0.00 0.00 0.01 0.00 0.00 42.46 39.29 1wis s ILE 29 CO 0.95 -0.00 0.00 0.61 0.00 0.00 0.00 174.94 176.49 1wis n GLY 30 N 5.00 2.10 0.04 6.18 0.00 -0.82 -4.70 105.19 112.99 1wis n GLY 30 Ca 0.24 -2.11 -0.01 0.00 0.00 0.00 0.00 46.02 44.13 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 -0.08 -0.13 1.61 0.13 -1.88 -1.75 132.00 129.90 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 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.15 1wis h PRO 31 CO 0.00 -0.05 0.00 0.54 -0.23 0.00 0.00 178.00 178.26 1wis n ARG 32 N -2.73 2.66 -3.68 0.86 1.74 -1.26 -3.92 116.66 110.33 1wis n ARG 32 Ca -0.01 -2.02 -0.10 0.00 -0.77 0.00 0.00 57.85 54.95 1wis n ARG 32 Cb 0.03 -1.27 -0.10 0.00 -1.02 0.00 0.00 32.46 30.10 1wis n ARG 32 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1wis s SER 33 N -1.44 -0.60 0.41 0.55 1.04 -1.26 -1.63 113.70 110.77 1wis s SER 33 Ca 0.18 1.02 0.04 0.00 0.48 0.00 0.00 55.95 57.67 1wis s SER 33 Cb 0.13 0.90 -0.02 0.00 0.10 0.00 0.00 66.02 67.13 1wis s SER 33 CO 0.06 -0.20 0.15 0.68 0.98 0.00 0.00 173.24 174.91 1wis s VAL 34 N 1.42 0.52 -0.27 5.02 -7.23 -1.11 -1.94 120.40 116.82 1wis s VAL 34 Ca -0.09 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.09 1wis s VAL 34 Cb -0.08 -2.33 0.05 0.00 0.56 0.00 0.00 36.38 34.59 1wis s VAL 34 CO -0.14 0.00 -0.08 -0.89 -0.31 0.00 0.00 175.10 173.68 1wis s THR 35 N -3.21 2.42 -0.32 5.32 2.01 -1.13 -0.45 115.64 120.29 1wis s THR 35 Ca 0.24 -1.49 -0.18 0.00 0.31 0.00 0.00 61.69 60.57 1wis s THR 35 Cb 0.02 -2.38 -0.01 0.00 0.01 0.00 0.00 72.50 70.13 1wis s THR 35 CO 0.15 -0.00 0.49 -0.22 -0.69 0.00 0.00 174.62 174.35 1wis s LEU 36 N 1.16 4.23 0.11 4.42 0.20 -0.77 -2.72 118.68 125.31 1wis s LEU 36 Ca -0.07 0.15 -0.05 0.00 0.69 0.00 0.00 54.13 54.86 1wis s LEU 36 Cb -0.19 -2.58 -0.05 0.00 -0.43 0.00 0.00 46.19 42.94 1wis s LEU 36 CO -0.04 -0.39 0.34 -1.10 -0.29 0.00 0.00 176.35 174.87 1wis s GLN 37 N 2.32 3.60 0.01 1.98 -0.21 -0.72 -2.94 119.66 123.70 1wis s GLN 37 Ca 0.19 -0.11 -0.01 0.00 0.02 0.00 0.00 55.36 55.44 1wis s GLN 37 Cb -0.16 -2.91 0.00 0.00 1.00 0.00 0.00 33.01 30.94 1wis s GLN 37 CO 0.12 0.52 0.06 1.97 -2.12 0.00 0.00 175.29 175.83 1wis n PHE 38 N 0.31 -0.73 -3.68 0.91 1.16 -1.09 -2.30 117.46 112.04 1wis n PHE 38 Ca -0.04 -0.08 -0.10 0.00 -1.87 0.00 0.00 57.45 55.35 1wis n PHE 38 Cb 0.52 0.04 -0.10 0.00 -1.61 0.00 0.00 39.48 38.33 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 -2.00 0.49 -0.54 3.97 0.52 -1.11 -4.72 118.95 115.55 1wis s ARG 39 Ca 0.01 0.87 -0.28 0.00 -0.52 0.00 0.00 55.73 55.82 1wis s ARG 39 Cb -0.00 0.06 0.01 0.00 0.52 0.00 0.00 34.95 35.53 1wis s ARG 39 CO 0.00 -0.14 1.49 -1.25 0.02 0.00 0.00 175.30 175.42 1wis s PRO 40 N 1.29 3.25 0.00 3.54 0.04 -1.26 -3.56 135.00 138.29 1wis s PRO 40 Ca -0.08 0.56 0.00 0.00 0.04 0.00 0.00 61.00 61.51 1wis s PRO 40 Cb -0.07 -4.15 0.00 0.00 0.04 0.00 0.00 34.50 30.32 1wis s PRO 40 CO -0.12 -2.00 0.00 0.41 0.04 0.00 0.00 177.00 175.33 1wis n GLY 41 N 5.31 -1.65 3.26 0.56 0.00 -1.26 -4.71 105.19 106.70 1wis n GLY 41 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 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 0.00 3.35 0.25 1.61 6.14 -1.26 -4.95 117.35 122.48 1wis s TYR 42 Ca 0.00 -1.58 -0.04 0.00 0.64 0.00 0.00 57.07 56.10 1wis s TYR 42 Cb 0.00 -2.95 0.43 0.00 0.42 0.00 0.00 41.96 39.85 1wis s TYR 42 CO 0.00 -0.85 1.79 -0.44 0.64 0.00 0.00 175.55 176.68 1wis h ASP 43 N 8.38 0.57 0.00 4.32 5.19 -1.86 0.24 116.42 133.26 1wis h ASP 43 Ca -0.22 0.07 0.00 0.00 -0.62 0.00 0.00 57.03 56.25 1wis h ASP 43 Cb 1.08 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 40.56 1wis h ASP 43 CO 0.75 0.30 0.00 0.61 -3.12 0.00 0.00 179.24 177.78 1wis n GLY 44 N -1.32 1.83 2.37 2.75 0.00 -1.26 -3.70 105.19 105.86 1wis n GLY 44 Ca 0.14 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.56 -1.38 -3.61 1.61 5.02 -1.26 -2.68 118.16 115.29 1wis n LYS 45 Ca 0.00 0.91 -0.03 0.00 -2.02 0.00 0.00 58.31 57.17 1wis n LYS 45 Cb 0.00 -5.36 -0.06 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 -2.84 -0.19 1.04 -0.18 -1.32 -1.26 -4.85 115.64 106.03 1wis s THR 46 Ca 0.00 0.00 -0.18 0.00 -1.21 0.00 0.00 61.69 60.30 1wis s THR 46 Cb 0.00 -1.00 0.01 0.00 -1.51 0.00 0.00 72.50 70.00 1wis s THR 46 CO 0.00 0.00 -0.21 -1.54 -2.21 0.00 0.00 174.62 170.66 1wis n SER 47 N 4.27 -2.82 -4.82 8.08 3.41 -1.26 -4.79 113.62 115.69 1wis n SER 47 Ca -0.17 0.06 -0.36 0.00 -0.26 0.00 0.00 58.87 58.15 1wis n SER 47 Cb 0.56 -0.94 -0.06 0.00 -0.26 0.00 0.00 64.21 63.51 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 -2.22 4.58 -0.19 -1.33 -1.09 -1.26 -4.74 121.20 114.94 1wis s ILE 48 Ca 0.51 1.26 -0.04 0.00 -2.23 0.00 0.00 60.65 60.15 1wis s ILE 48 Cb -0.12 -3.84 -0.21 0.00 -1.58 0.00 0.00 42.46 36.72 1wis s ILE 48 CO 0.68 0.17 0.06 -1.54 -1.23 0.00 0.00 174.94 173.08 1wis n SER 49 N 0.62 2.04 -3.60 3.58 3.41 0.18 -4.52 113.62 115.33 1wis n SER 49 Ca -0.02 0.07 -0.13 0.00 -0.26 0.00 0.00 58.87 58.54 1wis n SER 49 Cb 0.51 -0.67 -0.06 0.00 -0.26 0.00 0.00 64.21 63.73 1wis n SER 49 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1wis s ARG 50 N -2.53 0.73 -0.11 4.33 3.52 -1.18 0.10 118.95 123.82 1wis s ARG 50 Ca -0.29 0.56 -0.08 0.00 -0.13 0.00 0.00 55.73 55.79 1wis s ARG 50 Cb 0.08 0.35 -0.04 0.00 -1.56 0.00 0.00 34.95 33.78 1wis s ARG 50 CO 0.67 -0.15 0.17 -1.58 -0.81 0.00 0.00 175.30 173.60 1wis s TRP 51 N -0.28 3.61 -0.14 5.12 0.52 0.53 -2.28 118.94 126.02 1wis s TRP 51 Ca -0.02 0.58 -0.02 0.00 0.02 0.00 0.00 56.10 56.67 1wis s TRP 51 Cb -0.03 -1.99 -0.02 0.00 -1.15 0.00 0.00 33.47 30.28 1wis s TRP 51 CO 0.01 0.72 -0.08 -0.51 0.02 0.00 0.00 176.95 177.10 1wis s LEU 52 N -1.00 2.98 -0.30 2.99 1.02 -0.30 -1.55 118.68 122.53 1wis s LEU 52 Ca 0.16 -0.23 0.03 0.00 0.02 0.00 0.00 54.13 54.11 1wis s LEU 52 Cb -0.13 -1.70 0.08 0.00 0.02 0.00 0.00 46.19 44.47 1wis s LEU 52 CO 0.05 0.16 -0.02 -0.69 0.02 0.00 0.00 176.35 175.87 1wis s VAL 53 N 0.39 2.08 0.27 -1.59 1.01 0.13 -1.08 120.40 121.60 1wis s VAL 53 Ca -0.07 -1.91 0.06 0.00 0.00 0.00 0.00 61.98 60.06 1wis s VAL 53 Cb -0.15 -2.38 -0.03 0.00 0.00 0.00 0.00 36.38 33.82 1wis s VAL 53 CO 0.04 -0.33 0.35 -1.61 0.00 0.00 0.00 175.10 173.55 1wis s GLU 54 N 1.07 3.23 0.13 2.72 2.02 -1.26 -1.55 118.70 125.06 1wis s GLU 54 Ca 0.01 -0.90 -0.25 0.00 0.02 0.00 0.00 54.97 53.85 1wis s GLU 54 Cb -0.19 -2.79 0.07 0.00 0.10 0.00 0.00 34.13 31.32 1wis s GLU 54 CO -0.08 0.32 0.78 0.00 0.02 0.00 0.00 175.26 176.31 1wis s ALA 55 N -2.07 -1.62 0.27 5.21 0.00 -0.89 -1.04 121.76 121.62 1wis s ALA 55 Ca 0.37 0.44 0.11 0.00 0.00 0.00 0.00 51.96 52.88 1wis s ALA 55 Cb -0.09 0.68 -0.05 0.00 0.00 0.00 0.00 23.12 23.67 1wis s ALA 55 CO 0.29 -0.85 -0.17 -0.65 0.00 0.00 0.00 175.76 174.38 1wis s GLN 56 N -3.49 1.62 -0.15 0.00 -0.21 -0.89 -3.48 119.66 113.07 1wis s GLN 56 Ca 0.06 -1.76 -0.12 0.00 0.02 0.00 0.00 55.36 53.57 1wis s GLN 56 Cb -0.02 -1.61 -0.05 0.00 1.00 0.00 0.00 33.01 32.33 1wis s GLN 56 CO -0.05 0.27 0.24 0.08 -2.12 0.00 0.00 175.29 173.70 1wis s VAL 57 N -2.63 5.34 0.00 1.09 1.01 -1.26 -3.53 120.40 120.42 1wis s VAL 57 Ca 0.29 0.43 0.00 0.00 0.00 0.00 0.00 61.98 62.70 1wis s VAL 57 Cb -0.03 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 32.79 1wis s VAL 57 CO 0.13 0.45 0.00 0.61 0.00 0.00 0.00 175.10 176.29 1wis n GLY 58 N 3.12 0.52 3.65 4.51 0.00 -0.60 -4.45 105.19 111.93 1wis n GLY 58 Ca -0.14 0.43 -0.63 0.00 0.00 0.00 0.00 46.02 45.67 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 0.09 -3.88 1.61 0.31 -1.26 -4.71 118.33 110.49 1wis n VAL 59 Ca 0.00 -0.03 -0.29 0.00 -0.01 0.00 0.00 64.34 64.01 1wis n VAL 59 Cb 0.00 -0.74 -0.12 0.00 -0.91 0.00 0.00 33.84 32.07 1wis n VAL 59 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1wis s VAL 60 N 3.80 3.03 0.08 2.52 1.01 -1.26 -4.90 120.40 124.68 1wis s VAL 60 Ca 1.06 -4.17 -0.12 0.00 0.00 0.00 0.00 61.98 58.75 1wis s VAL 60 Cb -1.36 -2.98 0.01 0.00 0.00 0.00 0.00 36.38 32.05 1wis s VAL 60 CO 0.74 -1.00 0.28 -0.83 0.00 0.00 0.00 175.10 174.29 1wis s GLY 61 N -1.24 -0.07 0.40 4.51 0.00 -1.26 -5.03 107.32 104.63 1wis s GLY 61 Ca 0.24 -0.28 0.09 0.00 0.00 0.00 0.00 44.72 44.77 1wis s GLY 61 CO -0.15 -0.49 2.00 1.05 0.00 0.00 0.00 173.10 175.51 1wis h GLU 62 N 2.81 0.57 -1.38 2.90 -0.00 -1.99 -1.75 114.58 115.74 1wis h GLU 62 Ca -0.33 -0.03 0.45 0.00 -0.00 0.00 0.00 59.36 59.44 1wis h GLU 62 Cb 1.21 -0.13 -0.12 0.00 -0.00 0.00 0.00 28.75 29.71 1wis h GLU 62 CO 0.51 0.38 0.91 0.78 -0.00 0.00 0.00 179.01 181.58 1wis h GLY 63 N 0.59 1.14 -2.54 1.06 0.00 -2.00 -3.39 103.07 97.94 1wis h GLY 63 Ca 0.24 -0.10 -0.43 0.00 0.00 0.00 0.00 47.33 47.05 1wis h GLY 63 CO -0.07 -0.35 -0.28 -0.54 0.00 0.00 0.00 176.54 175.30 1wis s GLU 64 N -5.25 2.91 0.48 4.80 2.02 -0.66 -5.12 118.70 117.88 1wis s GLU 64 Ca -0.07 -1.17 0.04 0.00 0.02 0.00 0.00 54.97 53.79 1wis s GLU 64 Cb 0.29 -2.78 0.02 0.00 0.10 0.00 0.00 34.13 31.77 1wis s GLU 64 CO 0.83 -0.18 0.67 -1.83 0.02 0.00 0.00 175.26 174.77 1wis s GLU 65 N -4.30 2.74 -0.18 1.61 -1.05 -1.26 -4.89 118.70 111.36 1wis s GLU 65 Ca 0.52 -0.94 -0.00 0.00 -0.15 0.00 0.00 54.97 54.40 1wis s GLU 65 Cb -0.10 -2.62 0.01 0.00 -0.44 0.00 0.00 34.13 30.98 1wis s GLU 65 CO 0.33 -0.45 -0.16 -1.58 0.95 0.00 0.00 175.26 174.35 1wis s TRP 66 N -2.55 2.80 0.12 4.83 0.52 -1.26 -4.87 118.94 118.54 1wis s TRP 66 Ca 0.55 -1.31 0.06 0.00 0.02 0.00 0.00 56.10 55.41 1wis s TRP 66 Cb -0.10 -1.94 -0.04 0.00 -1.15 0.00 0.00 33.47 30.24 1wis s TRP 66 CO 0.36 -0.65 0.01 -0.51 0.02 0.00 0.00 176.95 176.18 1wis s LEU 67 N 1.15 3.44 0.50 2.99 1.43 -1.23 -4.93 118.68 122.04 1wis s LEU 67 Ca 0.01 -0.24 -0.19 0.00 -1.03 0.00 0.00 54.13 52.68 1wis s LEU 67 Cb -0.14 -2.14 -0.08 0.00 0.03 0.00 0.00 46.19 43.86 1wis s LEU 67 CO -0.06 0.14 1.02 -0.22 0.23 0.00 0.00 176.35 177.46 1wis s LEU 68 N -2.58 3.76 0.00 1.79 2.96 -1.26 -2.09 118.68 121.26 1wis s LEU 68 Ca 0.27 1.83 0.00 0.00 -0.22 0.00 0.00 54.13 56.01 1wis s LEU 68 Cb -0.11 -4.55 0.00 0.00 0.50 0.00 0.00 46.19 42.04 1wis s LEU 68 CO 0.19 -0.78 0.00 2.30 -1.32 0.00 0.00 176.35 176.74 1wis n ILE 69 N -1.20 0.00 -4.37 6.68 -5.35 -0.60 -4.89 119.36 109.63 1wis n ILE 69 Ca 0.09 0.00 -0.24 0.00 -0.27 0.00 0.00 62.75 62.33 1wis n ILE 69 Cb 0.53 -0.75 -0.11 0.00 -1.74 0.00 0.00 39.64 37.57 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 -1.94 2.01 -0.29 4.28 5.04 -0.83 -5.01 115.29 118.55 1wis s HIS 70 Ca 0.00 -0.42 -0.14 0.00 -1.54 0.00 0.00 55.06 52.96 1wis s HIS 70 Cb 0.00 -1.00 0.12 0.00 0.04 0.00 0.00 32.58 31.73 1wis s HIS 70 CO 0.00 0.39 0.74 1.14 -2.34 0.00 0.00 174.74 174.68 1wis s GLN 71 N -2.70 0.57 -0.18 2.88 -2.07 -1.26 0.17 119.66 117.08 1wis s GLN 71 Ca 0.17 1.18 -0.07 0.00 -1.82 0.00 0.00 55.36 54.82 1wis s GLN 71 Cb -0.07 0.43 -0.04 0.00 -1.09 0.00 0.00 33.01 32.24 1wis s GLN 71 CO 0.08 -0.15 0.07 -1.17 -1.32 0.00 0.00 175.29 172.79 1wis s LEU 72 N 2.14 3.86 0.00 2.60 2.96 -0.59 -4.90 118.68 124.75 1wis s LEU 72 Ca -0.08 0.11 0.00 0.00 -0.22 0.00 0.00 54.13 53.94 1wis s LEU 72 Cb -0.07 -1.97 0.00 0.00 0.50 0.00 0.00 46.19 44.64 1wis s LEU 72 CO -0.19 0.19 0.00 -1.20 -1.32 0.00 0.00 176.35 173.83 1wis n SER 73 N 3.44 -0.90 0.00 3.68 7.64 -1.26 0.20 113.62 126.42 1wis n SER 73 Ca -0.17 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.71 1wis n SER 73 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 1wis n SER 73 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1wis n ASN 74 N -1.35 0.00 -3.71 6.43 4.13 0.28 -3.88 115.26 117.17 1wis n ASN 74 Ca 0.00 0.11 -0.24 0.00 1.68 0.00 0.00 54.58 56.12 1wis n ASN 74 Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 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 -0.25 -1.31 0.00 3.52 4.71 -1.26 -4.56 120.64 121.49 1wis n GLU 75 Ca 0.00 0.61 0.12 0.00 -0.01 0.00 0.00 57.16 57.88 1wis n GLU 75 Cb 0.00 -2.00 0.67 0.00 -1.01 0.00 0.00 31.44 29.10 1wis n GLU 75 CO 0.00 0.00 0.00 -0.35 0.09 0.00 0.00 177.13 176.87 1wis n PRO 76 N -2.62 0.62 -1.18 3.49 -0.04 -1.26 -2.61 135.00 131.41 1wis n PRO 76 Ca -0.28 0.02 -0.16 0.00 -0.04 0.00 0.00 63.50 63.04 1wis n PRO 76 Cb 0.62 -1.50 0.14 0.00 -0.04 0.00 0.00 33.50 32.72 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 -1.08 3.94 -4.01 3.54 9.92 -1.26 -4.90 116.55 122.70 1wis n ASP 77 Ca 0.16 -3.77 -0.31 0.00 -0.53 0.00 0.00 54.79 50.34 1wis n ASP 77 Cb 0.11 -0.66 -0.15 0.00 -0.64 0.00 0.00 41.12 39.78 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 -3.42 2.40 -0.12 2.24 0.00 -1.07 -4.95 121.76 116.83 1wis s ALA 78 Ca 0.51 -1.76 0.16 0.00 0.00 0.00 0.00 51.96 50.86 1wis s ALA 78 Cb 0.43 -1.60 -0.07 0.00 0.00 0.00 0.00 23.12 21.88 1wis s ALA 78 CO 0.02 -1.29 1.05 0.00 0.00 0.00 0.00 175.76 175.54 1wis h ARG 79 N 7.81 0.00 -4.04 0.00 2.47 -1.89 -3.48 114.38 115.25 1wis h ARG 79 Ca -0.16 0.00 -0.11 0.00 -1.26 0.00 0.00 59.98 58.45 1wis h ARG 79 Cb 1.05 0.00 -0.15 0.00 -1.65 0.00 0.00 29.97 29.22 1wis h ARG 79 CO 0.46 0.40 -0.54 -1.54 0.56 0.00 0.00 179.97 179.31 1wis s SER 80 N -6.06 0.32 0.10 7.04 1.04 -1.26 -2.66 113.70 112.21 1wis s SER 80 Ca -0.00 -0.83 -0.19 0.00 0.48 0.00 0.00 55.95 55.40 1wis s SER 80 Cb 0.08 0.26 0.05 0.00 0.10 0.00 0.00 66.02 66.51 1wis s SER 80 CO 0.79 -0.65 0.47 0.00 0.98 0.00 0.00 173.24 174.82 1wis s MET 81 N -3.85 1.08 0.10 4.02 0.23 -1.15 -5.02 119.30 114.70 1wis s MET 81 Ca 0.06 -0.50 -0.23 0.00 -1.03 0.00 0.00 55.69 53.99 1wis s MET 81 Cb 0.06 0.48 -0.07 0.00 -1.53 0.00 0.00 34.83 33.78 1wis s MET 81 CO -0.10 -0.42 0.70 -2.00 -2.03 0.00 0.00 175.02 171.17 1wis s GLU 82 N -3.27 4.43 -0.54 3.16 2.12 -1.26 -1.85 118.70 121.50 1wis s GLU 82 Ca -0.01 0.98 -0.02 0.00 0.36 0.00 0.00 54.97 56.29 1wis s GLU 82 Cb 0.00 -3.29 0.14 0.00 0.26 0.00 0.00 34.13 31.25 1wis s GLU 82 CO -0.08 0.51 0.33 0.08 -0.54 0.00 0.00 175.26 175.56 1wis s VAL 83 N -0.80 3.37 0.00 3.70 1.01 0.41 -4.93 120.40 123.15 1wis s VAL 83 Ca 0.34 -2.75 0.00 0.00 0.00 0.00 0.00 61.98 59.57 1wis s VAL 83 Cb -0.21 -3.25 0.00 0.00 0.00 0.00 0.00 36.38 32.91 1wis s VAL 83 CO 0.23 -0.80 0.00 -0.81 0.00 0.00 0.00 175.10 173.71 1wis n PRO 84 N 3.76 0.12 -3.73 2.72 -0.04 -1.26 -2.74 135.00 133.83 1wis n PRO 84 Ca 0.05 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.25 1wis n PRO 84 Cb 0.38 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 -1.76 -5.21 -4.38 3.54 9.92 -0.64 -4.81 116.55 113.21 1wis n ASP 85 Ca 0.00 -0.91 -0.25 0.00 -0.53 0.00 0.00 54.79 53.10 1wis n ASP 85 Cb 0.00 -2.41 -0.12 0.00 -0.64 0.00 0.00 41.12 37.96 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 -5.47 2.41 -0.34 0.64 1.43 -0.80 -5.02 118.68 111.54 1wis s LEU 86 Ca 0.15 -0.84 -0.24 0.00 -1.03 0.00 0.00 54.13 52.17 1wis s LEU 86 Cb -0.07 -1.03 0.01 0.00 0.03 0.00 0.00 46.19 45.13 1wis s LEU 86 CO 0.89 0.07 0.84 0.20 0.23 0.00 0.00 176.35 178.57 1wis s ASN 87 N -2.54 6.65 0.33 2.29 -0.87 -1.26 -4.51 114.94 115.03 1wis s ASN 87 Ca 0.17 0.56 -0.27 0.00 -1.57 0.00 0.00 52.86 51.75 1wis s ASN 87 Cb -0.08 -2.43 -0.09 0.00 -0.02 0.00 0.00 41.25 38.63 1wis s ASN 87 CO 0.08 -0.73 1.07 -2.16 -2.57 0.00 0.00 177.10 172.78 1wis s PRO 88 N 3.18 4.44 -1.40 -0.60 0.04 -1.25 -3.47 135.00 135.94 1wis s PRO 88 Ca 0.34 1.66 -0.08 0.00 0.04 0.00 0.00 61.00 62.96 1wis s PRO 88 Cb -0.13 -2.91 0.03 0.00 0.04 0.00 0.00 34.50 31.53 1wis s PRO 88 CO 0.16 0.07 1.02 0.34 0.04 0.00 0.00 177.00 178.63 1wis n PHE 89 N 0.65 -2.46 -3.78 0.56 7.35 -0.47 -4.86 117.46 114.46 1wis n PHE 89 Ca 0.01 0.94 -0.13 0.00 -0.76 0.00 0.00 57.45 57.52 1wis n PHE 89 Cb 0.47 -4.58 -0.11 0.00 0.35 0.00 0.00 39.48 35.61 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 -3.37 0.01 0.03 -2.13 2.01 -1.23 -4.97 115.64 105.99 1wis s THR 90 Ca 0.46 -0.07 -0.30 0.00 0.31 0.00 0.00 61.69 62.08 1wis s THR 90 Cb -0.22 -0.42 -0.05 0.00 0.01 0.00 0.00 72.50 71.82 1wis s THR 90 CO 0.78 -0.04 1.21 0.00 -0.69 0.00 0.00 174.62 175.88 1wis s TYR 92 N 1.47 -0.04 0.13 0.00 1.51 -1.25 -1.56 117.35 117.60 1wis s TYR 92 Ca 0.58 0.02 0.11 0.00 -1.01 0.00 0.00 57.07 56.76 1wis s TYR 92 Cb -0.28 0.01 -0.04 0.00 -0.11 0.00 0.00 41.96 41.54 1wis s TYR 92 CO 0.27 -0.33 -0.25 -1.12 -1.11 0.00 0.00 175.55 173.01 1wis s SER 93 N -1.39 3.44 0.10 2.29 0.01 -1.23 -4.01 113.70 112.90 1wis s SER 93 Ca -0.14 -0.71 0.03 0.00 1.31 0.00 0.00 55.95 56.44 1wis s SER 93 Cb -0.06 -0.29 -0.04 0.00 0.21 0.00 0.00 66.02 65.84 1wis s SER 93 CO 0.02 0.18 -0.08 -0.36 0.41 0.00 0.00 173.24 173.41 1wis s PHE 94 N -1.08 0.99 0.00 2.43 0.08 -1.26 -2.09 117.98 117.05 1wis s PHE 94 Ca 0.15 -0.75 0.00 0.00 0.12 0.00 0.00 56.93 56.44 1wis s PHE 94 Cb -0.10 -0.55 0.00 0.00 -0.57 0.00 0.00 43.02 41.80 1wis s PHE 94 CO 0.07 -0.05 0.00 2.89 -0.10 0.00 0.00 175.22 178.02 1wis n ARG 95 N 0.31 0.07 -4.12 0.44 1.85 -0.21 -2.03 116.66 112.97 1wis n ARG 95 Ca -0.14 0.00 -0.09 0.00 -1.00 0.00 0.00 57.85 56.62 1wis n ARG 95 Cb 0.59 0.00 -0.10 0.00 -1.05 0.00 0.00 32.46 31.90 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 -1.26 0.70 -0.18 2.89 -1.94 -1.26 -4.03 119.30 114.23 1wis s MET 96 Ca 0.00 -1.24 -0.26 0.00 -1.71 0.00 0.00 55.69 52.48 1wis s MET 96 Cb 0.00 -0.00 0.07 0.00 2.01 0.00 0.00 34.83 36.91 1wis s MET 96 CO 0.00 -0.06 0.67 1.03 -0.01 0.00 0.00 175.02 176.65 1wis s ARG 97 N -3.75 0.88 0.06 2.03 0.52 -0.24 -2.98 118.95 115.47 1wis s ARG 97 Ca 0.08 0.68 0.06 0.00 -0.52 0.00 0.00 55.73 56.04 1wis s ARG 97 Cb 0.06 0.42 -0.04 0.00 0.52 0.00 0.00 34.95 35.91 1wis s ARG 97 CO -0.07 -0.18 -0.14 -1.14 0.02 0.00 0.00 175.30 173.80 1wis s GLN 98 N -0.21 2.15 -0.03 3.54 0.74 -1.26 -1.14 119.66 123.44 1wis s GLN 98 Ca -0.04 -0.96 0.01 0.00 0.05 0.00 0.00 55.36 54.42 1wis s GLN 98 Cb -0.03 -2.27 0.02 0.00 1.10 0.00 0.00 33.01 31.83 1wis s GLN 98 CO 0.04 0.54 -0.02 0.08 -0.55 0.00 0.00 175.29 175.38 1wis s VAL 99 N -1.03 0.33 0.34 1.34 1.01 -0.97 -1.43 120.40 120.00 1wis s VAL 99 Ca 0.17 -0.02 0.05 0.00 0.00 0.00 0.00 61.98 62.19 1wis s VAL 99 Cb -0.11 -0.39 -0.02 0.00 0.00 0.00 0.00 36.38 35.86 1wis s VAL 99 CO 0.08 0.17 0.20 -0.46 0.00 0.00 0.00 175.10 175.09 1wis n ASN 100 N 4.01 0.30 0.16 3.32 6.94 -0.66 0.51 115.26 129.83 1wis n ASN 100 Ca -0.26 -3.00 0.10 0.00 -0.02 0.00 0.00 54.58 51.40 1wis n ASN 100 Cb 0.51 1.24 0.55 0.00 -2.36 0.00 0.00 39.78 39.71 1wis n ASN 100 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1wis n ILE 101 N -0.72 1.05 0.00 1.53 0.13 -1.26 -3.26 119.36 116.83 1wis n ILE 101 Ca 0.01 0.73 0.00 0.00 -1.10 0.00 0.00 62.75 62.39 1wis n ILE 101 Cb 0.56 -1.73 0.00 0.00 -0.84 0.00 0.00 39.64 37.63 1wis n ILE 101 CO 0.00 0.00 0.00 0.52 2.80 0.00 0.00 176.55 179.87 1wis n VAL 102 N -2.21 0.00 -2.28 9.51 0.31 -1.26 -5.06 118.33 117.33 1wis n VAL 102 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 1wis n VAL 102 Cb 0.05 -0.09 0.00 0.00 -0.91 0.00 0.00 33.84 32.90 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 2.64 3.96 3.05 2.92 0.00 -1.20 -5.07 105.19 111.49 1wis n GLY 103 Ca 0.00 -1.00 -0.32 0.00 0.00 0.00 0.00 46.02 44.70 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 -1.90 2.49 1.00 2.61 2.01 -1.26 -1.66 115.64 118.94 1wis s THR 104 Ca 0.00 -2.19 -0.20 0.00 0.31 0.00 0.00 61.69 59.61 1wis s THR 104 Cb 0.00 -2.76 -0.12 0.00 0.01 0.00 0.00 72.50 69.63 1wis s THR 104 CO 0.00 -0.54 -0.78 -1.54 -0.69 0.00 0.00 174.62 171.06 1wis n SER 105 N 4.35 -4.31 -4.39 3.53 3.41 -0.51 -4.94 113.62 110.74 1wis n SER 105 Ca 0.00 0.12 -0.29 0.00 -0.26 0.00 0.00 58.87 58.44 1wis n SER 105 Cb 0.42 -0.77 0.17 0.00 -0.26 0.00 0.00 64.21 63.78 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 -2.36 0.46 0.34 4.33 0.04 -1.26 -4.59 135.00 131.96 1wis s PRO 106 Ca 0.43 0.03 -0.27 0.00 0.04 0.00 0.00 61.00 61.23 1wis s PRO 106 Cb -0.10 -1.78 -0.09 0.00 0.04 0.00 0.00 34.50 32.57 1wis s PRO 106 CO 0.75 -2.61 1.07 -1.25 0.04 0.00 0.00 177.00 174.99 1wis s PRO 107 N -5.46 4.41 0.52 0.56 0.04 -1.26 -4.73 135.00 129.08 1wis s PRO 107 Ca 0.68 1.64 0.03 0.00 0.04 0.00 0.00 61.00 63.39 1wis s PRO 107 Cb -0.11 -2.87 0.03 0.00 0.04 0.00 0.00 34.50 31.59 1wis s PRO 107 CO 0.54 0.05 0.73 0.45 0.04 0.00 0.00 177.00 178.80 1wis s SER 108 N -1.24 5.36 0.24 6.66 0.15 -1.16 -5.02 113.70 118.68 1wis s SER 108 Ca 0.51 -0.10 -0.31 0.00 0.70 0.00 0.00 55.95 56.74 1wis s SER 108 Cb -0.27 -0.82 -0.13 0.00 -1.71 0.00 0.00 66.02 63.09 1wis s SER 108 CO 0.34 -1.06 1.44 0.00 1.20 0.00 0.00 173.24 175.15 1wis n GLN 109 N -2.24 2.09 -2.25 5.44 6.02 -1.26 -4.60 117.38 120.58 1wis n GLN 109 Ca 0.08 0.74 -0.33 0.00 -0.01 0.00 0.00 57.00 57.48 1wis n GLN 109 Cb 0.60 -2.42 -0.01 0.00 1.02 0.00 0.00 30.24 29.43 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 -0.29 3.54 0.59 -1.09 0.04 -1.26 -4.77 135.00 131.77 1wis s PRO 110 Ca 0.69 1.24 -0.13 0.00 0.04 0.00 0.00 61.00 62.84 1wis s PRO 110 Cb -0.64 -2.06 -0.05 0.00 0.04 0.00 0.00 34.50 31.78 1wis s PRO 110 CO 0.48 -0.63 1.02 -1.54 0.04 0.00 0.00 177.00 176.37 1wis s SER 111 N -2.53 6.33 0.80 6.66 1.04 -0.86 -4.99 113.70 120.15 1wis s SER 111 Ca 0.64 1.48 -0.14 0.00 0.48 0.00 0.00 55.95 58.41 1wis s SER 111 Cb -0.16 -2.48 0.03 0.00 0.10 0.00 0.00 66.02 63.51 1wis s SER 111 CO 0.30 -0.80 0.88 -2.11 0.98 0.00 0.00 173.24 172.50 1wis n ARG 112 N -2.36 0.19 -2.05 4.02 1.85 -1.26 -4.61 116.66 112.45 1wis n ARG 112 Ca 0.06 0.13 -0.42 0.00 -1.00 0.00 0.00 57.85 56.62 1wis n ARG 112 Cb 0.54 -2.16 -0.03 0.00 -1.05 0.00 0.00 32.46 29.76 1wis n ARG 112 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 1wis s LYS 113 N -3.58 4.19 0.46 2.89 1.02 -1.26 -4.91 119.74 118.55 1wis s LYS 113 Ca 0.69 2.14 0.06 0.00 0.02 0.00 0.00 55.97 58.88 1wis s LYS 113 Cb -0.30 -3.96 -0.02 0.00 -0.52 0.00 0.00 37.83 33.03 1wis s LYS 113 CO 0.55 -0.83 0.24 0.96 -0.92 0.00 0.00 175.35 175.35 1wis s ILE 114 N 3.95 2.01 -0.24 2.17 -5.25 -1.26 -5.02 121.20 117.55 1wis s ILE 114 Ca 0.72 -1.65 0.00 0.00 -0.99 0.00 0.00 60.65 58.73 1wis s ILE 114 Cb -0.32 -2.66 0.07 0.00 2.95 0.00 0.00 42.46 42.50 1wis s ILE 114 CO 0.28 0.00 -0.02 -1.58 -1.79 0.00 0.00 174.94 171.83 1wis s GLN 115 N -4.02 1.36 0.93 0.37 0.74 -1.26 -3.94 119.66 113.83 1wis s GLN 115 Ca 0.35 -0.96 -0.11 0.00 0.05 0.00 0.00 55.36 54.69 1wis s GLN 115 Cb 0.01 -2.49 0.15 0.00 1.10 0.00 0.00 33.01 31.79 1wis s GLN 115 CO 0.20 -0.67 1.10 0.95 -0.55 0.00 0.00 175.29 176.32 1wis s THR 116 N 1.47 2.48 1.05 -0.34 -4.23 -1.26 -4.91 115.64 109.89 1wis s THR 116 Ca -0.02 0.15 -0.16 0.00 -1.18 0.00 0.00 61.69 60.48 1wis s THR 116 Cb -0.18 -2.42 0.22 0.00 1.34 0.00 0.00 72.50 71.45 1wis s THR 116 CO -0.08 -0.20 1.17 -0.76 -0.54 0.00 0.00 174.62 174.20 1wis s LEU 117 N -6.47 1.59 0.34 4.79 1.43 -0.66 -2.79 118.68 116.91 1wis s LEU 117 Ca 0.65 0.67 -0.08 0.00 -1.03 0.00 0.00 54.13 54.34 1wis s LEU 117 Cb -0.21 -2.67 -0.06 0.00 0.03 0.00 0.00 46.19 43.28 1wis s LEU 117 CO 0.58 -3.31 0.66 -1.10 0.23 0.00 0.00 176.35 173.42 1wis s GLN 118 N -5.45 3.73 -0.38 1.70 -0.21 -1.26 -1.36 119.66 116.42 1wis s GLN 118 Ca 0.69 0.27 0.01 0.00 0.02 0.00 0.00 55.36 56.36 1wis s GLN 118 Cb -0.10 -2.52 0.11 0.00 1.00 0.00 0.00 33.01 31.49 1wis s GLN 118 CO 0.55 0.11 0.13 0.45 -2.12 0.00 0.00 175.29 174.40 1wis s SER 119 N -3.05 4.95 0.31 5.90 0.15 -1.26 -4.84 113.70 115.86 1wis s SER 119 Ca 0.48 -2.17 -0.19 0.00 0.70 0.00 0.00 55.95 54.76 1wis s SER 119 Cb -0.11 -1.71 0.04 0.00 -1.71 0.00 0.00 66.02 62.53 1wis s SER 119 CO 0.29 -0.44 0.77 -0.83 1.20 0.00 0.00 173.24 174.24 1wis s GLY 120 N 1.20 0.07 0.49 9.45 0.00 -1.26 -5.12 107.32 112.15 1wis s GLY 120 Ca 0.10 -0.44 -0.20 0.00 0.00 0.00 0.00 44.72 44.18 1wis s GLY 120 CO -0.06 -0.08 1.04 2.56 0.00 0.00 0.00 173.10 176.56 1wis s PRO 121 N -3.24 3.80 0.12 2.90 0.04 -1.26 -4.78 135.00 132.59 1wis s PRO 121 Ca 0.13 1.35 0.00 0.00 0.04 0.00 0.00 61.00 62.52 1wis s PRO 121 Cb -0.05 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.39 1wis s PRO 121 CO 0.08 -0.43 0.00 0.45 0.04 0.00 0.00 177.00 177.14 1wis n SER 122 N -0.98 -5.07 -3.62 6.66 2.88 -1.26 -5.06 113.62 107.17 1wis n SER 122 Ca 0.09 0.58 -0.17 0.00 -1.33 0.00 0.00 58.87 58.04 1wis n SER 122 Cb 0.53 -2.20 -0.15 0.00 -0.75 0.00 0.00 64.21 61.64 1wis n SER 122 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wis s SER 123 N -0.78 0.91 0.00 -3.46 0.15 -1.26 -5.14 113.70 104.12 1wis s SER 123 Ca 0.00 0.21 0.00 0.00 0.70 0.00 0.00 55.95 56.86 1wis s SER 123 Cb 0.00 0.34 0.00 0.00 -1.71 0.00 0.00 66.02 64.65 1wis s SER 123 CO 0.00 -0.27 0.00 0.61 1.20 0.00 0.00 173.24 174.78