#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 6.19 0.34 1.61 0.01 -1.26 -4.94 113.70 115.66 1wis s SER 2 Ca 0.00 -1.25 0.00 0.00 1.31 0.00 0.00 55.95 56.01 1wis s SER 2 Cb 0.00 -2.32 0.00 0.00 0.21 0.00 0.00 66.02 63.91 1wis s SER 2 CO 0.00 -1.14 0.00 -1.54 0.41 0.00 0.00 173.24 170.97 1wis n SER 3 N 6.58 -6.25 0.00 2.44 3.41 -1.26 -5.06 113.62 113.47 1wis n SER 3 Ca -0.08 0.72 0.00 0.00 -0.26 0.00 0.00 58.87 59.25 1wis n SER 3 Cb 0.43 -3.77 0.00 0.00 -0.26 0.00 0.00 64.21 60.61 1wis n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wis n GLY 4 N -3.62 0.91 3.04 5.00 0.00 -1.26 -5.13 105.19 104.13 1wis n GLY 4 Ca -0.03 0.21 -0.02 0.00 0.00 0.00 0.00 46.02 46.18 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 2.00 -0.65 0.25 1.61 0.01 -1.26 -5.16 113.70 110.50 1wis s SER 5 Ca 0.00 0.53 0.01 0.00 1.31 0.00 0.00 55.95 57.80 1wis s SER 5 Cb 0.00 1.69 -0.04 0.00 0.21 0.00 0.00 66.02 67.87 1wis s SER 5 CO 0.00 -0.28 0.13 -0.44 0.41 0.00 0.00 173.24 173.06 1wis s SER 6 N 2.72 0.94 0.15 2.44 0.01 -1.26 -5.17 113.70 113.52 1wis s SER 6 Ca 0.17 -1.45 0.00 0.00 1.31 0.00 0.00 55.95 55.98 1wis s SER 6 Cb -0.15 0.32 0.00 0.00 0.21 0.00 0.00 66.02 66.40 1wis s SER 6 CO -0.19 -0.83 0.00 0.61 0.41 0.00 0.00 173.24 173.24 1wis n GLY 7 N -0.43 0.68 2.84 3.44 0.00 -1.26 -4.97 105.19 105.49 1wis n GLY 7 Ca 0.01 -1.88 -0.42 0.00 0.00 0.00 0.00 46.02 43.73 1wis n GLY 7 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1wis n THR 8 N -0.50 4.46 -4.53 2.61 -2.24 -1.26 -4.94 114.28 107.89 1wis n THR 8 Ca 0.00 -4.48 -0.26 0.00 -2.27 0.00 0.00 64.05 57.04 1wis n THR 8 Cb 0.00 -2.32 -0.10 0.00 -2.10 0.00 0.00 70.33 65.80 1wis n THR 8 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 1wis s ILE 9 N 0.09 2.28 -0.30 2.28 -5.25 -1.26 -5.13 121.20 113.91 1wis s ILE 9 Ca 0.40 -2.21 0.00 0.00 -0.99 0.00 0.00 60.65 57.85 1wis s ILE 9 Cb 0.10 -2.63 0.19 0.00 2.95 0.00 0.00 42.46 43.07 1wis s ILE 9 CO 0.00 -0.21 0.68 -0.55 -1.79 0.00 0.00 174.94 173.07 1wis s SER 10 N -3.61 -1.33 -0.21 4.36 0.15 -1.26 -5.13 113.70 106.67 1wis s SER 10 Ca 0.32 0.43 -0.04 0.00 0.70 0.00 0.00 55.95 57.37 1wis s SER 10 Cb 0.02 1.96 0.09 0.00 -1.71 0.00 0.00 66.02 66.38 1wis s SER 10 CO 0.17 -0.25 0.21 -0.44 1.20 0.00 0.00 173.24 174.13 1wis s SER 11 N 2.86 1.60 -0.56 5.45 0.01 -1.26 -4.95 113.70 116.86 1wis s SER 11 Ca 0.15 -0.36 -0.01 0.00 1.31 0.00 0.00 55.95 57.03 1wis s SER 11 Cb -0.11 0.30 0.00 0.00 0.21 0.00 0.00 66.02 66.42 1wis s SER 11 CO -0.23 -0.34 0.55 0.61 0.41 0.00 0.00 173.24 174.24 1wis n GLY 12 N 5.31 -1.06 3.64 3.44 0.00 -1.26 -4.84 105.19 110.42 1wis n GLY 12 Ca -0.05 0.40 -0.55 0.00 0.00 0.00 0.00 46.02 45.82 1wis n GLY 12 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1wis n VAL 13 N -1.47 0.13 -2.54 1.61 3.14 -1.26 -4.90 118.33 113.04 1wis n VAL 13 Ca 0.01 -0.02 -0.35 0.00 -2.96 0.00 0.00 64.34 61.01 1wis n VAL 13 Cb 0.49 -0.92 -0.04 0.00 -1.06 0.00 0.00 33.84 32.30 1wis n VAL 13 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 1wis s PRO 14 N 1.82 3.99 0.80 1.45 0.04 -1.26 -5.04 135.00 136.80 1wis s PRO 14 Ca 0.91 1.45 -0.11 0.00 0.04 0.00 0.00 61.00 63.29 1wis s PRO 14 Cb -1.04 -2.33 0.07 0.00 0.04 0.00 0.00 34.50 31.24 1wis s PRO 14 CO 0.57 -0.29 1.10 -1.25 0.04 0.00 0.00 177.00 177.17 1wis s PRO 15 N -2.84 2.05 0.49 0.56 0.04 -1.26 -5.09 135.00 128.95 1wis s PRO 15 Ca 0.62 0.62 0.04 0.00 0.04 0.00 0.00 61.00 62.33 1wis s PRO 15 Cb -0.19 -1.92 -0.01 0.00 0.04 0.00 0.00 34.50 32.41 1wis s PRO 15 CO 0.24 -1.64 0.16 -1.21 0.04 0.00 0.00 177.00 174.59 1wis s GLU 16 N -5.16 2.20 0.55 4.56 2.02 -1.20 -4.86 118.70 116.80 1wis s GLU 16 Ca 0.61 -2.13 -0.16 0.00 0.02 0.00 0.00 54.97 53.30 1wis s GLU 16 Cb -0.14 -1.81 -0.06 0.00 0.10 0.00 0.00 34.13 32.22 1wis s GLU 16 CO 0.54 -0.34 1.03 -0.51 0.02 0.00 0.00 175.26 175.99 1wis s LEU 17 N -3.98 3.57 0.00 1.80 1.43 -1.26 -4.66 118.68 115.57 1wis s LEU 17 Ca 0.25 1.72 0.00 0.00 -1.03 0.00 0.00 54.13 55.07 1wis s LEU 17 Cb 0.02 -4.52 0.00 0.00 0.03 0.00 0.00 46.19 41.71 1wis s LEU 17 CO 0.14 -0.90 0.00 -0.81 0.23 0.00 0.00 176.35 175.02 1wis n PRO 18 N -1.78 -0.46 -4.44 1.29 -0.04 -1.18 -4.38 135.00 124.01 1wis n PRO 18 Ca 0.08 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.32 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 -2.70 1.85 -0.15 0.55 0.00 0.46 -4.86 107.32 102.47 1wis s GLY 19 Ca 0.00 -1.91 -0.29 0.00 0.00 0.00 0.00 44.72 42.52 1wis s GLY 19 CO 0.00 -1.88 1.27 2.56 0.00 0.00 0.00 173.10 175.05 1wis s PRO 20 N -3.68 4.24 0.33 2.90 0.04 -1.26 -4.47 135.00 133.10 1wis s PRO 20 Ca 0.29 1.68 -0.27 0.00 0.04 0.00 0.00 61.00 62.74 1wis s PRO 20 Cb 0.02 -3.75 -0.09 0.00 0.04 0.00 0.00 34.50 30.72 1wis s PRO 20 CO 0.12 -0.69 1.07 -1.25 0.04 0.00 0.00 177.00 176.30 1wis s PRO 21 N 3.38 4.45 0.00 0.56 0.04 -1.26 -4.56 135.00 137.61 1wis s PRO 21 Ca 0.55 1.66 0.00 0.00 0.04 0.00 0.00 61.00 63.26 1wis s PRO 21 Cb -0.22 -2.92 0.00 0.00 0.04 0.00 0.00 34.50 31.40 1wis s PRO 21 CO 0.16 0.08 0.00 0.25 0.04 0.00 0.00 177.00 177.53 1wis n THR 22 N 0.67 0.00 -3.12 1.26 -2.24 -1.20 -4.69 114.28 104.96 1wis n THR 22 Ca 0.01 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.57 1wis n THR 22 Cb 0.47 -0.08 0.04 0.00 -2.10 0.00 0.00 70.33 68.66 1wis n THR 22 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1wis n ASN 23 N -1.02 -6.20 -4.79 3.42 4.13 -1.26 -2.62 115.26 106.92 1wis n ASN 23 Ca 0.00 -0.33 -0.35 0.00 1.68 0.00 0.00 54.58 55.57 1wis n ASN 23 Cb 0.00 -4.98 -0.04 0.00 -1.54 0.00 0.00 39.78 33.22 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 -6.78 4.03 -0.30 3.41 2.96 -1.26 -4.00 118.68 116.74 1wis s LEU 24 Ca 0.35 1.98 -0.21 0.00 -0.22 0.00 0.00 54.13 56.03 1wis s LEU 24 Cb -0.16 -4.33 0.21 0.00 0.50 0.00 0.00 46.19 42.41 1wis s LEU 24 CO 0.44 -0.58 1.40 -0.83 -1.32 0.00 0.00 176.35 175.46 1wis s GLY 25 N -1.73 0.53 -0.17 7.98 0.00 -1.05 -4.97 107.32 107.90 1wis s GLY 25 Ca 0.61 3.74 -0.07 0.00 0.00 0.00 0.00 44.72 49.01 1wis s GLY 25 CO 0.24 2.30 0.05 -0.42 0.00 0.00 0.00 173.10 175.27 1wis s ILE 26 N 0.42 4.69 0.21 0.90 1.09 -1.26 -0.30 121.20 126.95 1wis s ILE 26 Ca 0.01 -0.07 0.03 0.00 -1.10 0.00 0.00 60.65 59.52 1wis s ILE 26 Cb -0.04 -3.09 -0.05 0.00 -1.06 0.00 0.00 42.46 38.22 1wis s ILE 26 CO -0.14 0.49 0.01 -0.94 -0.10 0.00 0.00 174.94 174.26 1wis s SER 27 N 0.18 1.51 -1.38 3.58 1.04 -0.21 -4.83 113.70 113.59 1wis s SER 27 Ca 0.04 -1.22 -0.05 0.00 0.48 0.00 0.00 55.95 55.20 1wis s SER 27 Cb -0.12 0.07 0.03 0.00 0.10 0.00 0.00 66.02 66.10 1wis s SER 27 CO 0.01 -0.56 0.83 0.59 0.98 0.00 0.00 173.24 175.09 1wis n ASN 28 N -0.35 -2.69 -4.62 7.02 3.02 -1.26 -1.97 115.26 114.41 1wis n ASN 28 Ca -0.05 -0.78 -0.43 0.00 -0.03 0.00 0.00 54.58 53.29 1wis n ASN 28 Cb 0.64 -4.09 -0.03 0.00 -0.61 0.00 0.00 39.78 35.69 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 -3.52 3.29 0.00 2.41 1.01 -1.26 -4.17 121.20 118.95 1wis s ILE 29 Ca 0.26 0.32 0.00 0.00 0.00 0.00 0.00 60.65 61.22 1wis s ILE 29 Cb -0.13 -3.31 0.00 0.00 0.01 0.00 0.00 42.46 39.03 1wis s ILE 29 CO 0.81 -0.15 0.00 0.61 0.00 0.00 0.00 174.94 176.21 1wis n GLY 30 N 5.12 0.69 0.09 6.18 0.00 0.35 -4.64 105.19 112.98 1wis n GLY 30 Ca 0.23 -1.86 -0.11 0.00 0.00 0.00 0.00 46.02 44.28 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 -0.09 0.00 1.61 0.13 -1.85 -1.41 132.00 130.39 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 0.49 -0.07 0.54 -0.23 0.00 0.00 178.00 178.73 1wis n ARG 32 N -4.80 1.34 -3.81 0.86 1.74 -1.26 -3.65 116.66 107.07 1wis n ARG 32 Ca -0.08 -1.31 -0.12 0.00 -0.77 0.00 0.00 57.85 55.57 1wis n ARG 32 Cb 0.30 -0.86 -0.11 0.00 -1.02 0.00 0.00 32.46 30.77 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 -1.02 -0.16 0.26 0.55 0.01 -1.26 -1.64 113.70 110.43 1wis s SER 33 Ca 0.06 0.25 -0.05 0.00 1.31 0.00 0.00 55.95 57.51 1wis s SER 33 Cb 0.05 0.37 -0.02 0.00 0.21 0.00 0.00 66.02 66.63 1wis s SER 33 CO 0.01 -0.16 0.35 0.68 0.41 0.00 0.00 173.24 174.52 1wis s VAL 34 N -0.32 0.00 -0.20 3.43 -7.23 -1.09 0.13 120.40 115.12 1wis s VAL 34 Ca -0.04 -1.68 -0.03 0.00 -1.81 0.00 0.00 61.98 58.42 1wis s VAL 34 Cb -0.03 -2.42 -0.01 0.00 0.56 0.00 0.00 36.38 34.48 1wis s VAL 34 CO 0.01 0.00 -0.06 -0.89 -0.31 0.00 0.00 175.10 173.84 1wis s THR 35 N -3.82 3.30 -0.23 5.32 2.01 -0.83 0.37 115.64 121.76 1wis s THR 35 Ca 0.31 -0.53 -0.09 0.00 0.31 0.00 0.00 61.69 61.69 1wis s THR 35 Cb 0.02 -2.47 -0.04 0.00 0.01 0.00 0.00 72.50 70.02 1wis s THR 35 CO 0.14 0.45 0.11 -0.22 -0.69 0.00 0.00 174.62 174.40 1wis s LEU 36 N 1.20 3.84 0.19 4.42 0.20 -0.42 -1.04 118.68 127.07 1wis s LEU 36 Ca 0.02 0.01 0.06 0.00 0.69 0.00 0.00 54.13 54.92 1wis s LEU 36 Cb -0.14 -2.01 -0.04 0.00 -0.43 0.00 0.00 46.19 43.56 1wis s LEU 36 CO -0.02 0.07 0.11 -1.10 -0.29 0.00 0.00 176.35 175.13 1wis s GLN 37 N 1.01 2.78 0.00 1.98 -0.21 0.58 -2.42 119.66 123.39 1wis s GLN 37 Ca 0.05 -0.98 -0.02 0.00 0.02 0.00 0.00 55.36 54.44 1wis s GLN 37 Cb -0.14 -2.55 0.01 0.00 1.00 0.00 0.00 33.01 31.33 1wis s GLN 37 CO 0.04 0.46 0.10 1.97 -2.12 0.00 0.00 175.29 175.74 1wis n PHE 38 N -0.48 -0.25 -3.67 0.91 -1.74 -1.14 -2.53 117.46 108.55 1wis n PHE 38 Ca -0.08 -0.07 -0.11 0.00 -0.56 0.00 0.00 57.45 56.63 1wis n PHE 38 Cb 0.56 0.03 -0.09 0.00 1.52 0.00 0.00 39.48 41.50 1wis n PHE 38 CO 0.00 0.00 0.00 1.03 -0.56 0.00 0.00 176.76 177.23 1wis s ARG 39 N -2.00 0.60 -0.34 3.97 0.52 -1.08 -4.76 118.95 115.86 1wis s ARG 39 Ca 0.02 0.93 -0.29 0.00 -0.52 0.00 0.00 55.73 55.88 1wis s ARG 39 Cb -0.00 0.16 0.00 0.00 0.52 0.00 0.00 34.95 35.63 1wis s ARG 39 CO 0.00 -0.13 1.38 -1.25 0.02 0.00 0.00 175.30 175.32 1wis s PRO 40 N 1.05 3.75 0.00 3.54 0.04 -1.26 -3.23 135.00 138.89 1wis s PRO 40 Ca -0.06 1.14 0.00 0.00 0.04 0.00 0.00 61.00 62.12 1wis s PRO 40 Cb -0.06 -3.96 0.00 0.00 0.04 0.00 0.00 34.50 30.53 1wis s PRO 40 CO -0.10 -1.33 0.30 0.41 0.04 0.00 0.00 177.00 176.31 1wis n GLY 41 N 4.68 -0.83 2.82 0.56 0.00 -1.26 -4.77 105.19 106.39 1wis n GLY 41 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 1wis n GLY 41 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1wis s TYR 42 N -1.30 2.40 0.16 1.61 6.14 -1.26 -4.97 117.35 120.13 1wis s TYR 42 Ca 0.00 -2.25 -0.19 0.00 0.64 0.00 0.00 57.07 55.27 1wis s TYR 42 Cb 0.00 -2.14 0.06 0.00 0.42 0.00 0.00 41.96 40.30 1wis s TYR 42 CO 0.00 -0.88 1.66 -0.44 0.64 0.00 0.00 175.55 176.52 1wis h ASP 43 N 7.72 -0.50 0.00 4.32 3.32 -1.86 1.35 116.42 130.77 1wis h ASP 43 Ca -0.09 0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1wis h ASP 43 Cb 1.00 0.28 0.00 0.00 0.22 0.00 0.00 39.33 40.83 1wis h ASP 43 CO 0.49 -0.18 0.00 0.61 -1.72 0.00 0.00 179.24 178.44 1wis n GLY 44 N -1.32 0.74 3.50 2.75 0.00 -1.26 -3.13 105.19 106.47 1wis n GLY 44 Ca 0.01 -0.06 -0.25 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.27 -3.64 1.61 5.02 -1.26 -3.28 118.16 113.34 1wis n LYS 45 Ca 0.00 0.43 -0.06 0.00 -2.02 0.00 0.00 58.31 56.66 1wis n LYS 45 Cb 0.00 -5.13 -0.07 0.00 -0.02 0.00 0.00 35.03 29.81 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 0.00 0.57 -0.18 -1.32 -1.26 -4.83 115.64 105.65 1wis s THR 46 Ca 0.45 0.00 -0.19 0.00 -1.21 0.00 0.00 61.69 60.75 1wis s THR 46 Cb -0.24 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 69.70 1wis s THR 46 CO 0.56 0.00 1.14 -0.44 -2.21 0.00 0.00 174.62 173.67 1wis s SER 47 N 0.30 5.54 0.25 8.08 0.01 -1.26 -4.72 113.70 121.90 1wis s SER 47 Ca 0.03 2.19 -0.30 0.00 1.31 0.00 0.00 55.95 59.18 1wis s SER 47 Cb -0.05 -2.58 -0.09 0.00 0.21 0.00 0.00 66.02 63.51 1wis s SER 47 CO -0.10 -1.34 1.18 -0.63 0.41 0.00 0.00 173.24 172.75 1wis s ILE 48 N -1.82 3.36 0.03 1.44 -1.09 -1.26 -4.76 121.20 117.09 1wis s ILE 48 Ca 0.73 1.26 0.07 0.00 -2.23 0.00 0.00 60.65 60.48 1wis s ILE 48 Cb -0.24 -3.81 -0.23 0.00 -1.58 0.00 0.00 42.46 36.60 1wis s ILE 48 CO 0.30 0.26 0.92 0.28 -1.23 0.00 0.00 174.94 175.47 1wis h SER 49 N 4.34 0.08 -2.99 3.58 0.02 0.12 -3.37 113.55 115.35 1wis h SER 49 Ca -0.46 -0.12 0.09 0.00 -0.84 0.00 0.00 61.79 60.46 1wis h SER 49 Cb 1.21 -0.03 -0.28 0.00 0.14 0.00 0.00 62.40 63.45 1wis h SER 49 CO 0.70 1.10 0.57 -0.60 -1.14 0.00 0.00 176.83 177.46 1wis s ARG 50 N -2.64 0.40 -0.17 3.45 3.00 -1.16 -1.80 118.95 120.02 1wis s ARG 50 Ca -0.04 0.45 -0.13 0.00 -1.00 0.00 0.00 55.73 55.01 1wis s ARG 50 Cb 0.08 0.19 -0.05 0.00 0.00 0.00 0.00 34.95 35.18 1wis s ARG 50 CO 0.83 -0.05 0.24 -1.58 0.00 0.00 0.00 175.30 174.73 1wis s TRP 51 N 0.11 3.44 -0.13 5.12 0.52 0.13 -2.18 118.94 125.95 1wis s TRP 51 Ca 0.04 0.50 -0.08 0.00 0.02 0.00 0.00 56.10 56.59 1wis s TRP 51 Cb -0.05 -2.28 -0.04 0.00 -1.15 0.00 0.00 33.47 29.95 1wis s TRP 51 CO -0.08 0.25 0.14 -1.17 0.02 0.00 0.00 176.95 176.11 1wis s LEU 52 N 0.44 4.36 -0.27 2.99 2.96 -1.00 -0.13 118.68 128.03 1wis s LEU 52 Ca 0.14 0.43 0.00 0.00 -0.22 0.00 0.00 54.13 54.48 1wis s LEU 52 Cb -0.12 -2.08 0.08 0.00 0.50 0.00 0.00 46.19 44.57 1wis s LEU 52 CO 0.02 0.37 0.03 -0.69 -1.32 0.00 0.00 176.35 174.75 1wis s VAL 53 N -0.77 1.27 0.50 1.68 1.01 0.29 -1.29 120.40 123.08 1wis s VAL 53 Ca 0.14 -1.36 0.07 0.00 0.00 0.00 0.00 61.98 60.83 1wis s VAL 53 Cb -0.12 -1.77 0.04 0.00 0.00 0.00 0.00 36.38 34.53 1wis s VAL 53 CO 0.03 -0.39 0.69 -1.61 0.00 0.00 0.00 175.10 173.82 1wis s GLU 54 N 1.46 2.57 0.06 2.72 2.02 -1.24 -0.79 118.70 125.50 1wis s GLU 54 Ca 0.03 -1.28 -0.27 0.00 0.02 0.00 0.00 54.97 53.47 1wis s GLU 54 Cb -0.18 -2.66 0.09 0.00 0.10 0.00 0.00 34.13 31.48 1wis s GLU 54 CO -0.13 -0.58 0.87 0.00 0.02 0.00 0.00 175.26 175.44 1wis s ALA 55 N -2.55 -1.74 0.05 5.21 0.00 -0.79 -1.69 121.76 120.24 1wis s ALA 55 Ca 0.58 0.71 0.09 0.00 0.00 0.00 0.00 51.96 53.34 1wis s ALA 55 Cb -0.09 0.53 -0.03 0.00 0.00 0.00 0.00 23.12 23.54 1wis s ALA 55 CO 0.36 -0.79 -0.24 -0.65 0.00 0.00 0.00 175.76 174.44 1wis s GLN 56 N -3.25 1.64 -0.00 0.00 -0.21 -1.25 -3.31 119.66 113.28 1wis s GLN 56 Ca 0.06 -1.05 -0.30 0.00 0.02 0.00 0.00 55.36 54.09 1wis s GLN 56 Cb -0.01 -1.80 -0.03 0.00 1.00 0.00 0.00 33.01 32.17 1wis s GLN 56 CO -0.06 0.46 1.02 0.08 -2.12 0.00 0.00 175.29 174.67 1wis s VAL 57 N -0.81 4.73 0.00 1.09 1.01 -1.26 -3.12 120.40 122.04 1wis s VAL 57 Ca 0.10 1.96 0.00 0.00 0.00 0.00 0.00 61.98 64.04 1wis s VAL 57 Cb -0.10 -4.26 0.00 0.00 0.00 0.00 0.00 36.38 32.03 1wis s VAL 57 CO 0.02 0.14 0.00 0.61 0.00 0.00 0.00 175.10 175.87 1wis n GLY 58 N 2.97 0.48 3.53 4.51 0.00 0.48 -4.44 105.19 112.72 1wis n GLY 58 Ca 0.07 0.44 -0.64 0.00 0.00 0.00 0.00 46.02 45.89 1wis n GLY 58 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1wis n VAL 59 N 0.00 0.00 -3.70 1.61 0.31 -1.26 -4.62 118.33 110.67 1wis n VAL 59 Ca 0.00 -0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.03 1wis n VAL 59 Cb 0.00 -0.51 -0.09 0.00 -0.91 0.00 0.00 33.84 32.33 1wis n VAL 59 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1wis n VAL 60 N 5.13 2.26 -3.73 2.52 0.31 -1.26 -4.88 118.33 118.67 1wis n VAL 60 Ca 0.42 -5.05 -0.02 0.00 -0.01 0.00 0.00 64.34 59.68 1wis n VAL 60 Cb -0.05 -2.21 -0.01 0.00 -0.91 0.00 0.00 33.84 30.67 1wis n VAL 60 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1wis s GLY 61 N -1.45 -0.25 1.05 2.92 0.00 -1.26 -5.16 107.32 103.17 1wis s GLY 61 Ca 0.29 0.23 -0.23 0.00 0.00 0.00 0.00 44.72 45.02 1wis s GLY 61 CO -0.11 0.26 -0.75 1.18 0.00 0.00 0.00 173.10 173.67 1wis n GLU 62 N -0.50 -0.69 0.00 2.90 1.02 -1.26 -3.18 120.64 118.93 1wis n GLU 62 Ca -0.06 -0.19 0.00 0.00 -0.02 0.00 0.00 57.16 56.88 1wis n GLU 62 Cb 0.61 -1.34 0.00 0.00 -0.02 0.00 0.00 31.44 30.69 1wis n GLU 62 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1wis n GLY 63 N 2.78 2.33 3.87 0.62 0.00 -1.26 -4.98 105.19 108.55 1wis n GLY 63 Ca -0.00 -0.48 -0.30 0.00 0.00 0.00 0.00 46.02 45.23 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 3.80 0.32 1.61 0.41 -1.19 -5.08 118.70 118.57 1wis s GLU 64 Ca 0.00 0.50 0.02 0.00 -0.41 0.00 0.00 54.97 55.08 1wis s GLU 64 Cb 0.00 -2.39 -0.03 0.00 -1.78 0.00 0.00 34.13 29.93 1wis s GLU 64 CO 0.00 -0.03 0.50 -1.83 -0.49 0.00 0.00 175.26 173.41 1wis s GLU 65 N -3.79 3.46 -0.23 1.61 -1.05 -1.26 -4.97 118.70 112.47 1wis s GLU 65 Ca 0.52 -0.46 -0.05 0.00 -0.15 0.00 0.00 54.97 54.82 1wis s GLU 65 Cb -0.10 -2.73 -0.01 0.00 -0.44 0.00 0.00 34.13 30.85 1wis s GLU 65 CO 0.30 0.22 -0.01 -1.58 0.95 0.00 0.00 175.26 175.14 1wis s TRP 66 N -2.23 3.00 0.22 4.83 0.52 -1.26 -4.81 118.94 119.21 1wis s TRP 66 Ca 0.38 -0.76 0.08 0.00 0.02 0.00 0.00 56.10 55.82 1wis s TRP 66 Cb -0.09 -2.14 -0.04 0.00 -1.15 0.00 0.00 33.47 30.04 1wis s TRP 66 CO 0.34 -0.48 0.08 -0.51 0.02 0.00 0.00 176.95 176.40 1wis s LEU 67 N 1.50 3.50 0.49 2.99 1.43 -1.21 -4.91 118.68 122.47 1wis s LEU 67 Ca 0.06 -0.39 -0.20 0.00 -1.03 0.00 0.00 54.13 52.57 1wis s LEU 67 Cb -0.14 -2.07 -0.08 0.00 0.03 0.00 0.00 46.19 43.92 1wis s LEU 67 CO -0.01 0.02 1.04 -0.22 0.23 0.00 0.00 176.35 177.41 1wis s LEU 68 N -3.44 3.85 0.00 1.79 2.96 -1.26 -1.89 118.68 120.68 1wis s LEU 68 Ca 0.31 1.94 0.00 0.00 -0.22 0.00 0.00 54.13 56.15 1wis s LEU 68 Cb -0.08 -4.56 0.00 0.00 0.50 0.00 0.00 46.19 42.05 1wis s LEU 68 CO 0.21 -0.79 0.00 2.30 -1.32 0.00 0.00 176.35 176.76 1wis n ILE 69 N -0.96 0.00 -4.15 6.68 -5.35 0.03 -4.87 119.36 110.73 1wis n ILE 69 Ca 0.09 0.00 -0.15 0.00 -0.27 0.00 0.00 62.75 62.42 1wis n ILE 69 Cb 0.52 -0.38 -0.13 0.00 -1.74 0.00 0.00 39.64 37.91 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 -1.55 0.61 -0.11 4.28 5.04 -0.60 -4.90 115.29 118.06 1wis s HIS 70 Ca 0.00 -0.26 -0.05 0.00 -1.54 0.00 0.00 55.06 53.21 1wis s HIS 70 Cb 0.00 -0.38 0.05 0.00 0.04 0.00 0.00 32.58 32.29 1wis s HIS 70 CO 0.00 -0.03 0.25 1.14 -2.34 0.00 0.00 174.74 173.76 1wis s GLN 71 N -0.73 0.21 -0.42 2.88 -2.07 -1.26 0.10 119.66 118.38 1wis s GLN 71 Ca -0.02 0.55 -0.11 0.00 -1.82 0.00 0.00 55.36 53.95 1wis s GLN 71 Cb -0.05 -0.11 0.06 0.00 -1.09 0.00 0.00 33.01 31.81 1wis s GLN 71 CO 0.00 -0.17 0.28 -1.17 -1.32 0.00 0.00 175.29 172.92 1wis s LEU 72 N 1.32 5.17 0.06 2.60 2.96 0.82 -4.91 118.68 126.70 1wis s LEU 72 Ca -0.09 -1.31 -0.07 0.00 -0.22 0.00 0.00 54.13 52.44 1wis s LEU 72 Cb -0.10 -2.05 -0.05 0.00 0.50 0.00 0.00 46.19 44.48 1wis s LEU 72 CO -0.09 -0.53 0.33 -0.44 -1.32 0.00 0.00 176.35 174.31 1wis s SER 73 N 2.09 6.53 -0.38 3.68 0.01 -1.26 0.22 113.70 124.60 1wis s SER 73 Ca 0.03 0.63 -0.21 0.00 1.31 0.00 0.00 55.95 57.70 1wis s SER 73 Cb -0.22 -2.11 0.03 0.00 0.21 0.00 0.00 66.02 63.93 1wis s SER 73 CO 0.05 0.18 0.49 0.59 0.41 0.00 0.00 173.24 174.96 1wis n ASN 74 N 0.77 -6.90 0.00 2.44 3.02 -0.74 -4.98 115.26 108.87 1wis n ASN 74 Ca -0.08 0.37 0.00 0.00 -0.03 0.00 0.00 54.58 54.84 1wis n ASN 74 Cb 0.52 -3.58 0.00 0.00 -0.61 0.00 0.00 39.78 36.11 1wis n ASN 74 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1wis n GLU 75 N 0.03 0.00 0.00 3.52 1.02 -1.26 -5.01 120.64 118.94 1wis n GLU 75 Ca 0.02 0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.27 1wis n GLU 75 Cb 0.50 0.00 0.68 0.00 -0.02 0.00 0.00 31.44 32.60 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 0.75 -2.69 3.49 -0.04 -1.26 -3.31 135.00 131.94 1wis n PRO 76 Ca 0.00 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.19 1wis n PRO 76 Cb 0.00 -1.48 -0.02 0.00 -0.04 0.00 0.00 33.50 31.96 1wis n PRO 76 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1wis n ASP 77 N -0.98 4.66 -3.84 3.54 9.92 -1.26 -4.82 116.55 123.77 1wis n ASP 77 Ca 0.17 -3.71 -0.30 0.00 -0.53 0.00 0.00 54.79 50.42 1wis n ASP 77 Cb 0.08 -0.52 -0.15 0.00 -0.64 0.00 0.00 41.12 39.89 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 -3.52 2.08 0.28 2.24 0.00 -1.21 -4.97 121.76 116.66 1wis s ALA 78 Ca 0.48 -2.03 -0.01 0.00 0.00 0.00 0.00 51.96 50.40 1wis s ALA 78 Cb 0.34 -1.76 0.40 0.00 0.00 0.00 0.00 23.12 22.09 1wis s ALA 78 CO -0.17 -1.69 1.79 -0.09 0.00 0.00 0.00 175.76 175.61 1wis h ARG 79 N 7.87 0.75 -4.34 0.00 9.65 -1.92 -3.46 114.38 122.92 1wis h ARG 79 Ca -0.10 -0.18 -0.20 0.00 -1.10 0.00 0.00 59.98 58.40 1wis h ARG 79 Cb 1.01 -0.10 -0.13 0.00 -1.39 0.00 0.00 29.97 29.37 1wis h ARG 79 CO 0.49 0.74 -0.47 -1.54 2.80 0.00 0.00 179.97 182.00 1wis s SER 80 N -6.65 0.19 0.01 -3.80 1.04 -1.26 -2.87 113.70 100.36 1wis s SER 80 Ca -0.09 -1.29 -0.28 0.00 0.48 0.00 0.00 55.95 54.77 1wis s SER 80 Cb 0.15 0.45 0.09 0.00 0.10 0.00 0.00 66.02 66.82 1wis s SER 80 CO 0.80 -0.95 0.81 0.00 0.98 0.00 0.00 173.24 174.88 1wis s MET 81 N -4.05 0.93 0.12 4.02 0.23 -1.02 -5.02 119.30 114.52 1wis s MET 81 Ca 0.34 -0.22 -0.24 0.00 -1.03 0.00 0.00 55.69 54.54 1wis s MET 81 Cb 0.04 0.43 -0.07 0.00 -1.53 0.00 0.00 34.83 33.70 1wis s MET 81 CO 0.12 -0.38 0.74 -2.00 -2.03 0.00 0.00 175.02 171.48 1wis s GLU 82 N -2.80 4.50 -0.53 3.16 2.12 -1.26 -1.29 118.70 122.60 1wis s GLU 82 Ca 0.01 1.07 -0.02 0.00 0.36 0.00 0.00 54.97 56.40 1wis s GLU 82 Cb -0.01 -3.28 0.14 0.00 0.26 0.00 0.00 34.13 31.24 1wis s GLU 82 CO -0.07 0.51 0.32 0.08 -0.54 0.00 0.00 175.26 175.57 1wis s VAL 83 N -0.88 3.40 0.00 3.70 1.01 0.16 -4.94 120.40 122.84 1wis s VAL 83 Ca 0.35 -2.65 0.00 0.00 0.00 0.00 0.00 61.98 59.68 1wis s VAL 83 Cb -0.22 -3.27 0.00 0.00 0.00 0.00 0.00 36.38 32.89 1wis s VAL 83 CO 0.24 -0.79 0.00 -0.81 0.00 0.00 0.00 175.10 173.74 1wis n PRO 84 N 3.87 0.18 -3.65 2.72 -0.04 -1.26 -2.66 135.00 134.15 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 0.39 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 33.87 1wis n PRO 84 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1wis n ASP 85 N -1.65 -5.19 -4.28 3.54 2.03 -1.10 -4.85 116.55 105.05 1wis n ASP 85 Ca 0.00 -0.55 -0.21 0.00 0.52 0.00 0.00 54.79 54.55 1wis n ASP 85 Cb 0.00 -1.67 -0.11 0.00 -0.72 0.00 0.00 41.12 38.62 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 -3.68 2.39 -0.38 -2.67 1.43 -0.65 -4.99 118.68 110.14 1wis s LEU 86 Ca 0.20 -0.80 -0.23 0.00 -1.03 0.00 0.00 54.13 52.27 1wis s LEU 86 Cb -0.02 -0.72 0.01 0.00 0.03 0.00 0.00 46.19 45.49 1wis s LEU 86 CO 0.89 -0.06 0.79 0.20 0.23 0.00 0.00 176.35 178.40 1wis s ASN 87 N -2.40 6.54 0.55 2.29 -0.87 -1.26 -4.57 114.94 115.22 1wis s ASN 87 Ca 0.11 0.31 -0.17 0.00 -1.57 0.00 0.00 52.86 51.53 1wis s ASN 87 Cb -0.06 -2.40 -0.05 0.00 -0.02 0.00 0.00 41.25 38.71 1wis s ASN 87 CO 0.05 -0.77 1.05 -2.16 -2.57 0.00 0.00 177.10 172.69 1wis s PRO 88 N 3.16 3.52 -1.64 -0.60 0.04 -1.24 -3.58 135.00 134.66 1wis s PRO 88 Ca 0.32 1.23 -0.16 0.00 0.04 0.00 0.00 61.00 62.43 1wis s PRO 88 Cb -0.13 -2.06 0.13 0.00 0.04 0.00 0.00 34.50 32.48 1wis s PRO 88 CO 0.18 -0.65 0.81 0.34 0.04 0.00 0.00 177.00 177.72 1wis n PHE 89 N -1.67 -1.87 -3.78 0.56 7.35 -0.57 -4.94 117.46 112.55 1wis n PHE 89 Ca 0.09 0.82 -0.13 0.00 -0.76 0.00 0.00 57.45 57.47 1wis n PHE 89 Cb 0.53 -3.25 -0.11 0.00 0.35 0.00 0.00 39.48 36.99 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 -3.35 -0.00 0.09 -2.13 2.01 -1.23 -4.97 115.64 106.06 1wis s THR 90 Ca 0.66 0.01 -0.30 0.00 0.31 0.00 0.00 61.69 62.37 1wis s THR 90 Cb -0.35 -0.38 -0.06 0.00 0.01 0.00 0.00 72.50 71.71 1wis s THR 90 CO 0.90 0.00 1.17 0.00 -0.69 0.00 0.00 174.62 176.01 1wis s TYR 92 N 0.69 0.09 0.48 0.00 1.51 -1.26 -0.39 117.35 118.47 1wis s TYR 92 Ca 0.56 -0.45 0.03 0.00 -1.01 0.00 0.00 57.07 56.20 1wis s TYR 92 Cb -0.29 0.15 -0.03 0.00 -0.11 0.00 0.00 41.96 41.67 1wis s TYR 92 CO 0.31 -0.76 0.02 0.45 -1.11 0.00 0.00 175.55 174.46 1wis s SER 93 N -2.89 4.07 -0.24 2.29 0.15 -1.18 -4.00 113.70 111.89 1wis s SER 93 Ca 0.10 -1.54 -0.18 0.00 0.70 0.00 0.00 55.95 55.03 1wis s SER 93 Cb 0.02 0.20 0.07 0.00 -1.71 0.00 0.00 66.02 64.59 1wis s SER 93 CO -0.04 -0.72 0.61 -0.36 1.20 0.00 0.00 173.24 173.92 1wis s PHE 94 N -2.81 -0.78 0.28 3.44 0.08 -1.26 -3.87 117.98 113.05 1wis s PHE 94 Ca 0.17 1.75 0.02 0.00 0.12 0.00 0.00 56.93 58.99 1wis s PHE 94 Cb 0.04 0.36 -0.01 0.00 -0.57 0.00 0.00 43.02 42.84 1wis s PHE 94 CO 0.09 -0.39 0.08 2.89 -0.10 0.00 0.00 175.22 177.79 1wis n ARG 95 N 3.41 0.77 -4.21 0.44 1.85 -0.68 -2.52 116.66 115.73 1wis n ARG 95 Ca -0.17 -2.29 -0.12 0.00 -1.00 0.00 0.00 57.85 54.27 1wis n ARG 95 Cb 0.57 1.15 -0.10 0.00 -1.05 0.00 0.00 32.46 33.02 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 -3.05 0.95 0.09 2.89 -1.94 -1.26 -3.71 119.30 113.28 1wis s MET 96 Ca 0.12 -1.40 -0.21 0.00 -1.71 0.00 0.00 55.69 52.49 1wis s MET 96 Cb 0.01 -0.39 0.05 0.00 2.01 0.00 0.00 34.83 36.50 1wis s MET 96 CO 0.08 0.02 0.51 1.03 -0.01 0.00 0.00 175.02 176.64 1wis s ARG 97 N -3.80 1.10 -0.08 2.03 0.52 -0.41 -3.36 118.95 114.95 1wis s ARG 97 Ca 0.15 -0.42 0.04 0.00 -0.52 0.00 0.00 55.73 54.98 1wis s ARG 97 Cb 0.04 0.50 0.00 0.00 0.52 0.00 0.00 34.95 36.01 1wis s ARG 97 CO -0.02 -0.43 -0.20 -0.65 0.02 0.00 0.00 175.30 174.03 1wis s GLN 98 N -3.12 2.39 -0.14 3.54 -0.21 -1.26 -2.37 119.66 118.49 1wis s GLN 98 Ca -0.02 -0.70 0.02 0.00 0.02 0.00 0.00 55.36 54.68 1wis s GLN 98 Cb -0.00 -1.90 0.01 0.00 1.00 0.00 0.00 33.01 32.12 1wis s GLN 98 CO -0.07 0.17 -0.20 0.08 -2.12 0.00 0.00 175.29 173.15 1wis s VAL 99 N 0.32 1.92 0.38 1.09 1.01 -0.92 -0.59 120.40 123.61 1wis s VAL 99 Ca -0.13 -0.88 0.05 0.00 0.00 0.00 0.00 61.98 61.01 1wis s VAL 99 Cb -0.16 -1.71 -0.02 0.00 0.00 0.00 0.00 36.38 34.49 1wis s VAL 99 CO 0.06 0.52 0.17 -0.46 0.00 0.00 0.00 175.10 175.39 1wis n ASN 100 N 4.21 0.76 0.11 3.32 0.23 -0.28 0.16 115.26 123.77 1wis n ASN 100 Ca -0.20 -3.12 0.08 0.00 -0.53 0.00 0.00 54.58 50.82 1wis n ASN 100 Cb 0.51 1.16 0.42 0.00 -2.08 0.00 0.00 39.78 39.79 1wis n ASN 100 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1wis n ILE 101 N -0.83 1.28 0.00 1.53 0.13 -1.26 -2.81 119.36 117.40 1wis n ILE 101 Ca -0.02 0.63 0.00 0.00 -1.10 0.00 0.00 62.75 62.25 1wis n ILE 101 Cb 0.59 -1.62 0.00 0.00 -0.84 0.00 0.00 39.64 37.78 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 -2.04 0.00 -1.26 9.51 0.31 -1.26 -5.05 118.33 118.54 1wis n VAL 102 Ca -0.01 0.45 0.00 0.00 -0.01 0.00 0.00 64.34 64.77 1wis n VAL 102 Cb 0.04 -1.35 0.00 0.00 -0.91 0.00 0.00 33.84 31.62 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 2.01 2.66 2.95 2.92 0.00 -1.12 -5.02 105.19 109.59 1wis n GLY 103 Ca 0.00 -0.39 -0.30 0.00 0.00 0.00 0.00 46.02 45.33 1wis n GLY 103 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wis s THR 104 N -0.96 1.56 1.00 2.61 2.01 -1.26 -1.13 115.64 119.47 1wis s THR 104 Ca 0.00 -1.18 -0.15 0.00 0.31 0.00 0.00 61.69 60.67 1wis s THR 104 Cb 0.00 -1.78 0.02 0.00 0.01 0.00 0.00 72.50 70.75 1wis s THR 104 CO 0.00 -0.04 0.08 -1.54 -0.69 0.00 0.00 174.62 172.43 1wis n SER 105 N 4.67 -2.66 -4.38 3.53 3.41 0.24 -4.94 113.62 113.49 1wis n SER 105 Ca -0.13 0.18 -0.29 0.00 -0.26 0.00 0.00 58.87 58.37 1wis n SER 105 Cb 0.44 -1.06 0.17 0.00 -0.26 0.00 0.00 64.21 63.51 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 -3.33 0.44 0.22 4.33 0.04 -1.26 -4.57 135.00 130.87 1wis s PRO 106 Ca 0.54 0.02 -0.30 0.00 0.04 0.00 0.00 61.00 61.30 1wis s PRO 106 Cb -0.17 -1.78 -0.08 0.00 0.04 0.00 0.00 34.50 32.50 1wis s PRO 106 CO 0.69 -2.62 1.10 -1.25 0.04 0.00 0.00 177.00 174.96 1wis s PRO 107 N -5.47 4.61 0.33 0.56 0.04 -1.26 -4.75 135.00 129.06 1wis s PRO 107 Ca 0.68 1.76 -0.00 0.00 0.04 0.00 0.00 61.00 63.48 1wis s PRO 107 Cb -0.11 -3.24 -0.04 0.00 0.04 0.00 0.00 34.50 31.16 1wis s PRO 107 CO 0.54 0.13 0.54 0.45 0.04 0.00 0.00 177.00 178.69 1wis s SER 108 N -0.43 6.32 0.05 6.66 0.15 -1.21 -5.00 113.70 120.24 1wis s SER 108 Ca 0.47 0.48 -0.37 0.00 0.70 0.00 0.00 55.95 57.24 1wis s SER 108 Cb -0.31 -2.05 -0.19 0.00 -1.71 0.00 0.00 66.02 61.77 1wis s SER 108 CO 0.37 -0.26 0.93 0.00 1.20 0.00 0.00 173.24 175.48 1wis n GLN 109 N -1.57 0.00 -2.04 5.44 6.02 -1.26 -4.59 117.38 119.38 1wis n GLN 109 Ca -0.04 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.62 1wis n GLN 109 Cb 0.56 -1.36 0.01 0.00 1.02 0.00 0.00 30.24 30.46 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 -0.24 3.36 0.74 -1.09 0.04 -1.26 -4.81 135.00 131.73 1wis s PRO 110 Ca 0.84 1.15 -0.11 0.00 0.04 0.00 0.00 61.00 62.91 1wis s PRO 110 Cb -1.17 -2.04 0.03 0.00 0.04 0.00 0.00 34.50 31.36 1wis s PRO 110 CO 0.56 -0.78 1.09 -1.54 0.04 0.00 0.00 177.00 176.38 1wis s SER 111 N -2.92 5.06 0.90 6.66 1.04 -1.05 -4.99 113.70 118.40 1wis s SER 111 Ca 0.62 1.29 -0.11 0.00 0.48 0.00 0.00 55.95 58.23 1wis s SER 111 Cb -0.15 -2.08 0.13 0.00 0.10 0.00 0.00 66.02 64.02 1wis s SER 111 CO 0.38 -1.60 1.10 -0.13 0.98 0.00 0.00 173.24 173.97 1wis s ARG 112 N -5.22 1.20 -0.13 4.02 0.52 -1.26 -4.71 118.95 113.37 1wis s ARG 112 Ca 0.59 1.17 -0.29 0.00 -0.52 0.00 0.00 55.73 56.68 1wis s ARG 112 Cb -0.13 -1.78 -0.05 0.00 0.52 0.00 0.00 34.95 33.52 1wis s ARG 112 CO 0.53 -2.38 1.79 0.21 0.02 0.00 0.00 175.30 175.47 1wis s LYS 113 N -4.77 3.84 0.55 3.54 2.47 -1.26 -4.90 119.74 119.20 1wis s LYS 113 Ca 0.64 2.02 0.05 0.00 -1.56 0.00 0.00 55.97 57.12 1wis s LYS 113 Cb -0.20 -4.10 0.04 0.00 -1.46 0.00 0.00 37.83 32.10 1wis s LYS 113 CO 0.58 -1.26 0.35 0.96 0.16 0.00 0.00 175.35 176.14 1wis s ILE 114 N 5.30 1.51 -0.03 5.43 -5.25 -1.26 -5.06 121.20 121.85 1wis s ILE 114 Ca 0.80 -1.57 -0.01 0.00 -0.99 0.00 0.00 60.65 58.88 1wis s ILE 114 Cb -0.31 -2.08 0.03 0.00 2.95 0.00 0.00 42.46 43.05 1wis s ILE 114 CO 0.33 0.00 0.03 -1.58 -1.79 0.00 0.00 174.94 171.93 1wis s GLN 115 N -4.24 0.10 0.33 0.37 0.74 -1.26 -4.15 119.66 111.55 1wis s GLN 115 Ca 0.28 0.21 -0.15 0.00 0.05 0.00 0.00 55.36 55.75 1wis s GLN 115 Cb -0.02 -0.46 -0.09 0.00 1.10 0.00 0.00 33.01 33.54 1wis s GLN 115 CO 0.18 -0.22 0.75 0.95 -0.55 0.00 0.00 175.29 176.40 1wis s THR 116 N 1.48 4.66 1.11 -0.34 -4.23 -1.26 -4.93 115.64 112.13 1wis s THR 116 Ca -0.04 0.99 -0.17 0.00 -1.18 0.00 0.00 61.69 61.29 1wis s THR 116 Cb -0.13 -3.62 0.25 0.00 1.34 0.00 0.00 72.50 70.34 1wis s THR 116 CO -0.03 -0.18 1.15 -0.76 -0.54 0.00 0.00 174.62 174.25 1wis s LEU 117 N -2.97 1.25 0.19 4.79 1.43 -0.53 -1.51 118.68 121.32 1wis s LEU 117 Ca 0.54 0.66 -0.23 0.00 -1.03 0.00 0.00 54.13 54.07 1wis s LEU 117 Cb -0.10 -2.54 -0.08 0.00 0.03 0.00 0.00 46.19 43.49 1wis s LEU 117 CO 0.17 -3.65 0.76 -1.10 0.23 0.00 0.00 176.35 172.76 1wis s GLN 118 N -5.43 4.45 -0.02 1.70 -0.21 -1.26 -2.37 119.66 116.53 1wis s GLN 118 Ca 0.70 1.06 -0.03 0.00 0.02 0.00 0.00 55.36 57.11 1wis s GLN 118 Cb -0.10 -3.12 -0.02 0.00 1.00 0.00 0.00 33.01 30.77 1wis s GLN 118 CO 0.55 0.51 0.26 1.03 -2.12 0.00 0.00 175.29 175.52 1wis h SER 119 N 4.00 -0.09 -3.92 5.90 0.87 -1.92 -3.44 113.55 114.95 1wis h SER 119 Ca -0.47 0.00 0.06 0.00 -1.23 0.00 0.00 61.79 60.14 1wis h SER 119 Cb 1.20 0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 63.16 1wis h SER 119 CO 0.65 0.07 -0.13 0.61 -0.53 0.00 0.00 176.83 177.51 1wis n GLY 120 N 1.23 -1.94 3.82 5.77 0.00 -1.26 -4.93 105.19 107.87 1wis n GLY 120 Ca -0.01 -1.45 -0.31 0.00 0.00 0.00 0.00 46.02 44.25 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 -2.04 2.89 -0.36 1.61 0.04 -1.26 -5.05 135.00 130.83 1wis s PRO 121 Ca 0.00 0.94 0.01 0.00 0.04 0.00 0.00 61.00 61.99 1wis s PRO 121 Cb 0.00 -1.99 0.11 0.00 0.04 0.00 0.00 34.50 32.67 1wis s PRO 121 CO 0.00 -1.13 0.14 -1.12 0.04 0.00 0.00 177.00 174.93 1wis s SER 122 N -3.80 4.05 -0.20 6.66 0.01 -1.26 -5.09 113.70 114.07 1wis s SER 122 Ca 0.58 -2.07 -0.29 0.00 1.31 0.00 0.00 55.95 55.48 1wis s SER 122 Cb -0.14 -1.07 -0.01 0.00 0.21 0.00 0.00 66.02 65.01 1wis s SER 122 CO 0.55 -0.36 1.23 -0.55 0.41 0.00 0.00 173.24 174.52 1wis s SER 123 N 1.05 6.93 0.00 2.44 0.15 -1.26 -5.35 113.70 117.66 1wis s SER 123 Ca 0.13 1.55 0.00 0.00 0.70 0.00 0.00 55.95 58.33 1wis s SER 123 Cb -0.20 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.57 1wis s SER 123 CO -0.14 -0.80 0.00 0.61 1.20 0.00 0.00 173.24 174.12