#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i16 h PRO 2 N 0.00 -0.10 0.00 0.03 0.13 -2.09 -3.50 132.00 126.47 1i16 h PRO 2 Ca 0.00 0.01 0.16 0.00 -0.87 0.00 0.00 66.00 65.30 1i16 h PRO 2 Cb 0.00 0.02 -0.04 0.00 0.13 0.00 0.00 31.00 31.11 1i16 h PRO 2 CO 0.00 -0.07 -0.22 -0.25 -0.23 0.00 0.00 178.00 177.23 1i16 n ASP 3 N -4.67 -7.07 -4.58 1.44 8.00 -1.26 -4.62 116.55 103.79 1i16 n ASP 3 Ca -0.01 0.64 -0.37 0.00 0.71 0.00 0.00 54.79 55.76 1i16 n ASP 3 Cb 0.04 -1.81 -0.11 0.00 -0.02 0.00 0.00 41.12 39.23 1i16 n ASP 3 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1i16 s LEU 4 N 0.00 3.90 0.00 0.64 1.43 -1.26 -4.84 118.68 118.55 1i16 s LEU 4 Ca 0.00 -0.02 0.00 0.00 -1.03 0.00 0.00 54.13 53.08 1i16 s LEU 4 Cb 0.00 -2.06 0.00 0.00 0.03 0.00 0.00 46.19 44.16 1i16 s LEU 4 CO 0.00 -0.00 0.00 -3.20 0.23 0.00 0.00 176.35 173.38 1i16 n ASN 5 N 4.75 0.00 -4.89 2.29 5.15 -1.26 -5.11 115.26 116.18 1i16 n ASN 5 Ca -0.15 0.00 -0.29 0.00 -0.60 0.00 0.00 54.58 53.54 1i16 n ASN 5 Cb 0.52 0.07 -0.03 0.00 -0.53 0.00 0.00 39.78 39.81 1i16 n ASN 5 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 1i16 s SER 6 N -2.69 6.48 0.69 1.20 0.01 -1.26 -5.08 113.70 113.06 1i16 s SER 6 Ca 0.00 0.91 -0.09 0.00 1.31 0.00 0.00 55.95 58.07 1i16 s SER 6 Cb 0.00 -2.23 0.03 0.00 0.21 0.00 0.00 66.02 64.04 1i16 s SER 6 CO 0.00 -0.29 1.05 -0.55 0.41 0.00 0.00 173.24 173.86 1i16 s SER 7 N -3.16 5.21 0.78 2.44 0.15 -1.26 -5.08 113.70 112.78 1i16 s SER 7 Ca 0.47 0.85 0.00 0.00 0.70 0.00 0.00 55.95 57.97 1i16 s SER 7 Cb -0.10 -1.62 0.00 0.00 -1.71 0.00 0.00 66.02 62.59 1i16 s SER 7 CO 0.30 -1.41 0.00 0.35 1.20 0.00 0.00 173.24 173.68 1i16 n THR 8 N -2.94 0.00 -1.29 6.45 -2.24 -1.26 -4.95 114.28 108.05 1i16 n THR 8 Ca 0.07 0.00 0.16 0.00 -2.27 0.00 0.00 64.05 62.01 1i16 n THR 8 Cb 0.58 -1.79 -0.07 0.00 -2.10 0.00 0.00 70.33 66.95 1i16 n THR 8 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1i16 n ASP 9 N -2.98 -7.36 -1.73 3.42 9.92 -1.26 -4.77 116.55 111.78 1i16 n ASP 9 Ca 0.00 1.12 -0.20 0.00 -0.53 0.00 0.00 54.79 55.18 1i16 n ASP 9 Cb 0.00 -4.31 -0.07 0.00 -0.64 0.00 0.00 41.12 36.11 1i16 n ASP 9 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 1i16 n SER 10 N -4.11 -5.51 0.05 -2.24 2.88 -1.26 -4.78 113.62 98.65 1i16 n SER 10 Ca -0.06 0.37 0.00 0.00 -1.33 0.00 0.00 58.87 57.85 1i16 n SER 10 Cb 0.61 -4.71 0.00 0.00 -0.75 0.00 0.00 64.21 59.35 1i16 n SER 10 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1i16 n ALA 11 N 0.52 3.00 -2.62 -1.46 0.00 -1.26 -4.99 120.51 113.70 1i16 n ALA 11 Ca -0.21 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.81 1i16 n ALA 11 Cb 0.67 0.28 -0.04 0.00 0.00 0.00 0.00 19.45 20.36 1i16 n ALA 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i16 s ALA 12 N -2.00 3.51 0.06 0.00 0.00 -1.26 -5.01 121.76 117.06 1i16 s ALA 12 Ca 0.00 -0.29 -0.14 0.00 0.00 0.00 0.00 51.96 51.54 1i16 s ALA 12 Cb 0.00 -3.46 0.02 0.00 0.00 0.00 0.00 23.12 19.68 1i16 s ALA 12 CO 0.00 -1.33 0.31 -1.12 0.00 0.00 0.00 175.76 173.61 1i16 s SER 13 N 1.64 -0.11 -0.26 0.00 0.01 -1.26 -5.07 113.70 108.65 1i16 s SER 13 Ca 0.38 -0.26 0.23 0.00 1.31 0.00 0.00 55.95 57.60 1i16 s SER 13 Cb -0.13 0.37 0.51 0.00 0.21 0.00 0.00 66.02 66.98 1i16 s SER 13 CO 0.14 -0.67 1.12 0.00 0.41 0.00 0.00 173.24 174.24 1i16 n ALA 14 N 0.38 2.59 -2.07 1.44 0.00 -1.26 -5.09 120.51 116.50 1i16 n ALA 14 Ca -0.18 -2.73 -0.42 0.00 0.00 0.00 0.00 53.44 50.12 1i16 n ALA 14 Cb 0.60 -0.88 -0.03 0.00 0.00 0.00 0.00 19.45 19.15 1i16 n ALA 14 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1i16 s SER 15 N -3.77 6.83 0.19 0.00 0.15 -1.26 -4.86 113.70 110.98 1i16 s SER 15 Ca 0.27 2.40 0.00 0.00 0.70 0.00 0.00 55.95 59.32 1i16 s SER 15 Cb 0.32 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 62.03 1i16 s SER 15 CO -0.04 -0.61 0.00 0.00 1.20 0.00 0.00 173.24 173.79 1i16 n ALA 16 N 3.27 3.00 -3.63 5.45 0.00 -1.26 -5.06 120.51 122.28 1i16 n ALA 16 Ca 0.09 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.30 1i16 n ALA 16 Cb 0.42 0.02 0.01 0.00 0.00 0.00 0.00 19.45 19.91 1i16 n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i16 n ALA 17 N -3.19 -2.65 -0.68 0.00 0.00 -1.26 -4.88 120.51 107.85 1i16 n ALA 17 Ca 0.00 -0.24 -0.31 0.00 0.00 0.00 0.00 53.44 52.90 1i16 n ALA 17 Cb 0.00 -2.04 0.17 0.00 0.00 0.00 0.00 19.45 17.59 1i16 n ALA 17 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1i16 s SER 18 N -3.18 2.74 -0.81 0.00 0.01 -1.26 -4.83 113.70 106.37 1i16 s SER 18 Ca 0.18 2.13 -0.25 0.00 1.31 0.00 0.00 55.95 59.33 1i16 s SER 18 Cb -0.08 -2.55 -0.01 0.00 0.21 0.00 0.00 66.02 63.60 1i16 s SER 18 CO 0.86 -3.21 1.70 -1.81 0.41 0.00 0.00 173.24 171.20 1i16 s ASP 19 N -2.66 5.63 0.12 2.44 1.01 -1.26 -4.96 116.67 117.00 1i16 s ASP 19 Ca 0.67 -0.49 -0.29 0.00 0.71 0.00 0.00 52.55 53.15 1i16 s ASP 19 Cb -0.23 -2.55 -0.06 0.00 1.01 0.00 0.00 42.92 41.09 1i16 s ASP 19 CO 0.59 -2.23 0.93 -0.69 0.21 0.00 0.00 175.17 173.97 1i16 s VAL 20 N 8.00 4.47 -0.28 -1.27 1.01 -1.26 -5.01 120.40 126.05 1i16 s VAL 20 Ca 0.58 2.01 -0.36 0.00 0.00 0.00 0.00 61.98 64.21 1i16 s VAL 20 Cb -0.07 -4.29 0.16 0.00 0.00 0.00 0.00 36.38 32.18 1i16 s VAL 20 CO 0.07 0.36 1.36 -0.55 0.00 0.00 0.00 175.10 176.33 1i16 s SER 21 N -0.21 -0.03 -0.49 3.32 0.15 -1.26 -5.11 113.70 110.07 1i16 s SER 21 Ca 0.45 0.01 -0.15 0.00 0.70 0.00 0.00 55.95 56.96 1i16 s SER 21 Cb -0.23 0.03 0.09 0.00 -1.71 0.00 0.00 66.02 64.20 1i16 s SER 21 CO 0.29 -0.04 0.42 0.68 1.20 0.00 0.00 173.24 175.78 1i16 s VAL 22 N -1.84 5.09 -0.72 4.45 -7.23 -1.26 -5.02 120.40 113.87 1i16 s VAL 22 Ca 0.11 -1.27 -0.25 0.00 -1.81 0.00 0.00 61.98 58.75 1i16 s VAL 22 Cb -0.01 -4.13 0.05 0.00 0.56 0.00 0.00 36.38 32.85 1i16 s VAL 22 CO -0.04 -0.68 1.16 -1.61 -0.31 0.00 0.00 175.10 173.63 1i16 s GLU 23 N 1.59 3.18 0.38 4.82 2.02 -1.26 -5.01 118.70 124.43 1i16 s GLU 23 Ca 0.04 -0.52 -0.04 0.00 0.02 0.00 0.00 54.97 54.48 1i16 s GLU 23 Cb -0.26 -4.25 -0.04 0.00 0.10 0.00 0.00 34.13 29.68 1i16 s GLU 23 CO 0.05 -2.02 0.65 -1.54 0.02 0.00 0.00 175.26 172.41 1i16 s SER 24 N 3.76 6.33 -0.44 -0.19 1.04 -1.26 -5.03 113.70 117.91 1i16 s SER 24 Ca 0.30 0.73 0.06 0.00 0.48 0.00 0.00 55.95 57.52 1i16 s SER 24 Cb -0.11 -2.15 0.33 0.00 0.10 0.00 0.00 66.02 64.18 1i16 s SER 24 CO 0.12 -0.38 1.17 1.07 0.98 0.00 0.00 173.24 176.20 1i16 n THR 25 N -1.72 0.00 -1.75 2.02 5.66 -1.26 -4.97 114.28 112.26 1i16 n THR 25 Ca -0.02 -1.41 0.04 0.00 -3.05 0.00 0.00 64.05 59.60 1i16 n THR 25 Cb 0.55 1.40 0.17 0.00 -1.55 0.00 0.00 70.33 70.90 1i16 n THR 25 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1i16 n ALA 26 N 0.26 3.60 -3.28 1.79 0.00 -1.26 -4.88 120.51 116.73 1i16 n ALA 26 Ca 0.04 -3.22 -0.14 0.00 0.00 0.00 0.00 53.44 50.12 1i16 n ALA 26 Cb 0.72 -0.40 -0.06 0.00 0.00 0.00 0.00 19.45 19.71 1i16 n ALA 26 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1i16 s GLU 27 N -2.88 0.74 0.60 0.00 2.02 -1.26 -5.09 118.70 112.82 1i16 s GLU 27 Ca 0.38 -0.91 0.00 0.00 0.02 0.00 0.00 54.97 54.47 1i16 s GLU 27 Cb 0.37 -0.59 0.00 0.00 0.10 0.00 0.00 34.13 34.01 1i16 s GLU 27 CO -0.07 -1.23 0.00 0.00 0.02 0.00 0.00 175.26 173.98 1i16 n ALA 28 N 4.01 -3.44 -3.02 5.21 0.00 -1.26 -4.93 120.51 117.08 1i16 n ALA 28 Ca 0.14 0.84 -0.23 0.00 0.00 0.00 0.00 53.44 54.19 1i16 n ALA 28 Cb 0.48 -1.54 -0.16 0.00 0.00 0.00 0.00 19.45 18.24 1i16 n ALA 28 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1i16 s THR 29 N -4.56 1.04 0.14 0.00 -4.23 -0.84 -5.00 115.64 102.20 1i16 s THR 29 Ca 0.00 -0.50 0.05 0.00 -1.18 0.00 0.00 61.69 60.07 1i16 s THR 29 Cb 0.00 -0.91 -0.04 0.00 1.34 0.00 0.00 72.50 72.89 1i16 s THR 29 CO 0.00 0.31 0.08 -0.69 -0.54 0.00 0.00 174.62 173.78 1i16 s VAL 30 N 0.17 4.24 -0.38 2.29 1.01 -1.26 -1.27 120.40 125.21 1i16 s VAL 30 Ca -0.04 -1.11 0.02 0.00 0.00 0.00 0.00 61.98 60.85 1i16 s VAL 30 Cb -0.10 -3.12 0.15 0.00 0.00 0.00 0.00 36.38 33.31 1i16 s VAL 30 CO 0.01 -0.04 0.29 0.00 0.00 0.00 0.00 175.10 175.36 1i16 s THR 32 N 0.81 3.46 0.05 0.00 2.01 -1.26 -3.47 115.64 117.24 1i16 s THR 32 Ca 0.23 0.90 -0.02 0.00 0.31 0.00 0.00 61.69 63.11 1i16 s THR 32 Cb -0.13 -3.58 -0.03 0.00 0.01 0.00 0.00 72.50 68.77 1i16 s THR 32 CO -0.06 0.01 -0.01 0.68 -0.69 0.00 0.00 174.62 174.55 1i16 s VAL 33 N 2.29 0.20 -0.13 3.82 -7.23 -0.21 -4.95 120.40 114.20 1i16 s VAL 33 Ca 0.67 -1.67 -0.02 0.00 -1.81 0.00 0.00 61.98 59.14 1i16 s VAL 33 Cb -0.34 -1.40 -0.03 0.00 0.56 0.00 0.00 36.38 35.17 1i16 s VAL 33 CO 0.29 -0.92 -0.06 0.42 -0.31 0.00 0.00 175.10 174.51 1i16 s THR 34 N -3.70 3.70 -0.63 5.32 -4.23 -1.26 0.28 115.64 115.12 1i16 s THR 34 Ca 0.05 -0.44 0.06 0.00 -1.18 0.00 0.00 61.69 60.18 1i16 s THR 34 Cb 0.06 -2.59 0.26 0.00 1.34 0.00 0.00 72.50 71.57 1i16 s THR 34 CO -0.09 0.52 0.76 0.18 -0.54 0.00 0.00 174.62 175.45 1i16 n LEU 35 N 3.25 3.78 0.00 4.79 4.77 0.36 -4.53 117.00 129.42 1i16 n LEU 35 Ca -0.18 -5.46 0.00 0.00 -0.03 0.00 0.00 56.01 50.35 1i16 n LEU 35 Cb 0.53 -0.64 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 1i16 n LEU 35 CO 0.31 2.09 0.00 -0.62 -1.33 0.00 0.00 177.39 177.84 1i16 n GLU 36 N 0.75 0.00 -2.33 3.23 1.02 -1.26 -4.43 120.64 117.62 1i16 n GLU 36 Ca 0.30 0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 57.08 1i16 n GLU 36 Cb 0.41 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.79 1i16 n GLU 36 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1i16 s LYS 37 N 0.00 3.08 0.40 3.49 1.02 -0.00 -4.63 119.74 123.09 1i16 s LYS 37 Ca 0.00 -0.53 0.04 0.00 0.02 0.00 0.00 55.97 55.51 1i16 s LYS 37 Cb 0.00 -4.99 -0.02 0.00 -0.52 0.00 0.00 37.83 32.30 1i16 s LYS 37 CO 0.00 -2.66 0.16 -1.33 -0.92 0.00 0.00 175.35 170.60 1i16 n MET 38 N 8.98 0.56 0.00 1.68 2.81 -1.26 -4.33 117.12 125.55 1i16 n MET 38 Ca 0.30 -3.42 0.00 0.00 -1.81 0.00 0.00 57.70 52.77 1i16 n MET 38 Cb 0.49 1.97 0.00 0.00 -0.71 0.00 0.00 33.22 34.98 1i16 n MET 38 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1i16 n SER 39 N -1.55 0.00 0.00 7.83 2.88 -1.26 -3.01 113.62 118.51 1i16 n SER 39 Ca -0.04 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.50 1i16 n SER 39 Cb 0.61 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.07 1i16 n SER 39 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1i16 n ALA 40 N 11.29 1.98 0.00 -1.46 0.00 -1.26 -4.91 120.51 126.15 1i16 n ALA 40 Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 53.44 52.75 1i16 n ALA 40 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1i16 n ALA 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i16 n GLY 41 N -0.22 -1.84 1.58 0.00 0.00 -1.21 -4.92 105.19 98.57 1i16 n GLY 41 Ca 0.00 0.80 -0.00 0.00 0.00 0.00 0.00 46.02 46.82 1i16 n GLY 41 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1i16 n LEU 42 N 0.00 -0.03 0.00 0.99 4.77 -1.16 0.95 117.00 122.52 1i16 n LEU 42 Ca 0.00 0.19 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 1i16 n LEU 42 Cb 0.00 -0.72 0.00 0.00 -2.33 0.00 0.00 43.42 40.37 1i16 n LEU 42 CO 0.00 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.66 1i16 n GLY 43 N -0.20 0.09 3.17 -0.72 0.00 -1.26 -4.88 105.19 101.39 1i16 n GLY 43 Ca -0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1i16 n GLY 43 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1i16 s PHE 44 N -1.25 0.97 0.02 1.61 -0.12 0.27 0.20 117.98 119.68 1i16 s PHE 44 Ca 0.00 -0.73 0.05 0.00 -0.05 0.00 0.00 56.93 56.20 1i16 s PHE 44 Cb 0.00 -0.54 -0.02 0.00 -0.63 0.00 0.00 43.02 41.83 1i16 s PHE 44 CO 0.00 -0.05 -0.14 0.45 -0.05 0.00 0.00 175.22 175.43 1i16 s SER 45 N -2.59 1.68 -0.06 1.98 0.15 -0.88 -4.81 113.70 109.18 1i16 s SER 45 Ca 0.06 -0.38 -0.04 0.00 0.70 0.00 0.00 55.95 56.30 1i16 s SER 45 Cb -0.01 -0.14 -0.04 0.00 -1.71 0.00 0.00 66.02 64.13 1i16 s SER 45 CO -0.01 0.09 0.12 -0.76 1.20 0.00 0.00 173.24 173.88 1i16 s LEU 46 N -0.84 4.16 -0.01 3.45 1.43 -1.26 -1.50 118.68 124.11 1i16 s LEU 46 Ca 0.03 0.32 0.02 0.00 -1.03 0.00 0.00 54.13 53.47 1i16 s LEU 46 Cb -0.07 -2.25 -0.00 0.00 0.03 0.00 0.00 46.19 43.90 1i16 s LEU 46 CO 0.01 0.33 -0.07 -1.61 0.23 0.00 0.00 176.35 175.24 1i16 s GLU 47 N -1.45 0.60 0.00 1.70 0.41 0.63 -4.80 118.70 115.80 1i16 s GLU 47 Ca 0.20 -0.24 0.00 0.00 -0.41 0.00 0.00 54.97 54.52 1i16 s GLU 47 Cb -0.12 -0.58 0.00 0.00 -1.78 0.00 0.00 34.13 31.65 1i16 s GLU 47 CO 0.10 0.13 0.00 0.41 -0.49 0.00 0.00 175.26 175.42 1i16 n GLY 48 N 3.01 -0.90 0.00 -1.39 0.00 -1.26 -0.46 105.19 104.19 1i16 n GLY 48 Ca -0.14 -2.17 0.00 0.00 0.00 0.00 0.00 46.02 43.71 1i16 n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i16 n GLY 49 N -0.01 1.69 1.30 -0.02 0.00 0.86 -4.04 105.19 104.96 1i16 n GLY 49 Ca 0.00 -0.41 -0.10 0.00 0.00 0.00 0.00 46.02 45.51 1i16 n GLY 49 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1i16 n LYS 50 N 0.00 -2.05 -3.15 1.61 3.00 -0.71 -4.49 118.16 112.37 1i16 n LYS 50 Ca 0.00 -0.48 0.06 0.00 -0.00 0.00 0.00 58.31 57.89 1i16 n LYS 50 Cb 0.00 -0.72 -0.01 0.00 0.00 0.00 0.00 35.03 34.30 1i16 n LYS 50 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1i16 s GLY 51 N -2.00 -0.36 0.00 3.14 0.00 -1.26 -3.01 107.32 103.83 1i16 s GLY 51 Ca 0.22 2.82 0.00 0.00 0.00 0.00 0.00 44.72 47.76 1i16 s GLY 51 CO 0.18 4.00 0.00 1.44 0.00 0.00 0.00 173.10 178.73 1i16 n SER 52 N 5.37 0.00 0.01 1.64 7.64 -1.26 -4.98 113.62 122.04 1i16 n SER 52 Ca -0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.85 1i16 n SER 52 Cb 0.56 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.76 1i16 n SER 52 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1i16 n LEU 53 N -2.17 -0.23 0.00 -3.43 0.00 -1.26 -4.92 117.00 104.99 1i16 n LEU 53 Ca 0.00 0.08 0.13 0.00 0.00 0.00 0.00 56.01 56.22 1i16 n LEU 53 Cb 0.00 0.45 0.61 0.00 0.00 0.00 0.00 43.42 44.48 1i16 n LEU 53 CO 0.00 -0.18 0.92 0.00 0.00 0.00 0.00 177.39 178.13 1i16 n HIS 54 N -2.10 0.00 -3.16 1.96 1.44 -1.26 -3.83 115.22 108.26 1i16 n HIS 54 Ca 0.00 0.00 -0.22 0.00 -2.01 0.00 0.00 57.72 55.49 1i16 n HIS 54 Cb 0.00 -0.37 -0.05 0.00 0.12 0.00 0.00 29.99 29.69 1i16 n HIS 54 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1i16 n GLY 55 N 1.01 3.98 3.63 -1.39 0.00 -1.26 -5.07 105.19 106.08 1i16 n GLY 55 Ca 0.10 -2.01 -0.43 0.00 0.00 0.00 0.00 46.02 43.68 1i16 n GLY 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1i16 s ASP 56 N -2.36 6.14 -0.44 1.61 1.01 -1.25 -4.10 116.67 117.29 1i16 s ASP 56 Ca 0.41 1.84 0.02 0.00 0.71 0.00 0.00 52.55 55.53 1i16 s ASP 56 Cb 0.27 -2.53 0.13 0.00 1.01 0.00 0.00 42.92 41.81 1i16 s ASP 56 CO -0.09 -1.42 0.23 -1.59 0.21 0.00 0.00 175.17 172.51 1i16 s LYS 57 N 5.09 1.29 0.41 8.23 -2.85 -1.16 -4.99 119.74 125.76 1i16 s LYS 57 Ca 0.82 -1.98 -0.15 0.00 -1.00 0.00 0.00 55.97 53.65 1i16 s LYS 57 Cb -0.30 -2.36 -0.08 0.00 -2.06 0.00 0.00 37.83 33.03 1i16 s LYS 57 CO 0.33 -1.15 0.84 -1.25 0.10 0.00 0.00 175.35 174.22 1i16 s PRO 58 N 0.39 3.96 0.07 1.78 0.04 -1.25 0.30 135.00 140.28 1i16 s PRO 58 Ca 0.17 0.75 -0.32 0.00 0.04 0.00 0.00 61.00 61.64 1i16 s PRO 58 Cb -0.24 -2.30 -0.11 0.00 0.04 0.00 0.00 34.50 31.88 1i16 s PRO 58 CO -0.00 -0.04 1.84 1.28 0.04 0.00 0.00 177.00 180.12 1i16 n LEU 59 N -1.00 3.84 -3.60 -3.56 4.32 -1.26 -2.46 117.00 113.27 1i16 n LEU 59 Ca 0.04 0.98 -0.13 0.00 -0.02 0.00 0.00 56.01 56.89 1i16 n LEU 59 Cb 0.54 -1.49 -0.05 0.00 -1.62 0.00 0.00 43.42 40.79 1i16 n LEU 59 CO 0.44 0.08 0.23 0.42 -1.22 0.00 0.00 177.39 177.34 1i16 s THR 60 N 3.08 0.04 -0.07 -5.08 -4.23 0.39 -3.00 115.64 106.76 1i16 s THR 60 Ca 0.85 -0.34 -0.18 0.00 -1.18 0.00 0.00 61.69 60.84 1i16 s THR 60 Cb -0.54 -1.00 -0.05 0.00 1.34 0.00 0.00 72.50 72.25 1i16 s THR 60 CO 0.41 -0.19 0.50 -0.63 -0.54 0.00 0.00 174.62 174.17 1i16 s ILE 61 N -2.75 5.10 -0.07 2.99 1.01 -1.17 0.23 121.20 126.54 1i16 s ILE 61 Ca -0.04 1.02 -0.07 0.00 0.00 0.00 0.00 60.65 61.56 1i16 s ILE 61 Cb -0.00 -3.83 -0.04 0.00 0.01 0.00 0.00 42.46 38.59 1i16 s ILE 61 CO -0.04 0.38 -0.15 -0.46 0.00 0.00 0.00 174.94 174.67 1i16 n ASN 62 N 3.19 1.18 -4.26 3.58 6.94 -0.57 0.19 115.26 125.51 1i16 n ASN 62 Ca -0.08 0.19 -0.44 0.00 -0.02 0.00 0.00 54.58 54.23 1i16 n ASN 62 Cb 0.52 -0.44 -0.04 0.00 -2.36 0.00 0.00 39.78 37.45 1i16 n ASN 62 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 1i16 s ARG 63 N -2.31 3.27 0.02 -3.83 0.52 -1.24 -4.80 118.95 110.58 1i16 s ARG 63 Ca -0.15 -2.42 -0.09 0.00 -0.52 0.00 0.00 55.73 52.55 1i16 s ARG 63 Cb 0.04 -4.23 -0.05 0.00 0.52 0.00 0.00 34.95 31.23 1i16 s ARG 63 CO 0.20 -1.26 0.34 0.42 0.02 0.00 0.00 175.30 175.02 1i16 s ILE 64 N 0.22 5.18 0.41 1.52 1.01 -1.26 -2.07 121.20 126.22 1i16 s ILE 64 Ca 0.16 0.42 0.08 0.00 0.00 0.00 0.00 60.65 61.31 1i16 s ILE 64 Cb -0.14 -3.61 -0.02 0.00 0.01 0.00 0.00 42.46 38.69 1i16 s ILE 64 CO -0.07 0.40 0.37 -0.36 0.00 0.00 0.00 174.94 175.28 1i16 s PHE 65 N -1.27 2.71 -0.57 3.97 0.08 0.52 -4.97 117.98 118.46 1i16 s PHE 65 Ca 0.28 -0.49 -0.15 0.00 0.12 0.00 0.00 56.93 56.68 1i16 s PHE 65 Cb -0.14 -2.15 0.14 0.00 -0.57 0.00 0.00 43.02 40.30 1i16 s PHE 65 CO 0.15 -0.10 0.52 0.21 -0.10 0.00 0.00 175.22 175.90 1i16 s LYS 66 N -4.11 3.02 0.00 0.44 2.20 -1.26 -4.89 119.74 115.12 1i16 s LYS 66 Ca 0.48 -1.80 0.00 0.00 -0.36 0.00 0.00 55.97 54.29 1i16 s LYS 66 Cb -0.03 -4.28 0.00 0.00 -1.51 0.00 0.00 37.83 32.01 1i16 s LYS 66 CO 0.28 -1.32 0.00 0.41 -0.36 0.00 0.00 175.35 174.36 1i16 n GLY 67 N 5.08 0.91 4.09 5.54 0.00 -1.26 -5.04 105.19 114.51 1i16 n GLY 67 Ca -0.11 -1.85 -0.31 0.00 0.00 0.00 0.00 46.02 43.76 1i16 n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i16 n ALA 68 N -0.95 -2.14 -3.12 4.61 0.00 -1.26 -4.74 120.51 112.91 1i16 n ALA 68 Ca 0.00 -0.37 -0.12 0.00 0.00 0.00 0.00 53.44 52.95 1i16 n ALA 68 Cb 0.00 -1.61 -0.06 0.00 0.00 0.00 0.00 19.45 17.78 1i16 n ALA 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i16 s ALA 69 N -4.02 -0.93 0.92 0.00 0.00 -1.26 -4.51 121.76 111.95 1i16 s ALA 69 Ca 0.11 0.22 0.00 0.00 0.00 0.00 0.00 51.96 52.29 1i16 s ALA 69 Cb -0.05 0.36 0.00 0.00 0.00 0.00 0.00 23.12 23.43 1i16 s ALA 69 CO 0.94 -0.46 0.00 0.45 0.00 0.00 0.00 175.76 176.69 1i16 n SER 70 N 0.47 0.00 -0.83 0.00 2.88 -1.26 -4.93 113.62 109.95 1i16 n SER 70 Ca -0.18 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.39 1i16 n SER 70 Cb 0.60 0.00 0.21 0.00 -0.75 0.00 0.00 64.21 64.27 1i16 n SER 70 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1i16 n GLU 71 N 0.00 2.07 -2.96 -1.46 1.02 -1.26 -5.00 120.64 113.05 1i16 n GLU 71 Ca 0.00 -2.98 -0.38 0.00 -0.02 0.00 0.00 57.16 53.78 1i16 n GLU 71 Cb 0.00 -1.75 -0.06 0.00 -0.02 0.00 0.00 31.44 29.61 1i16 n GLU 71 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1i16 s GLN 72 N -3.05 4.52 -0.90 3.49 -0.21 -1.26 -4.88 119.66 117.38 1i16 s GLN 72 Ca 0.41 1.15 -0.21 0.00 0.02 0.00 0.00 55.36 56.73 1i16 s GLN 72 Cb 0.36 -3.11 -0.23 0.00 1.00 0.00 0.00 33.01 31.03 1i16 s GLN 72 CO 0.03 0.48 2.40 -1.13 -2.12 0.00 0.00 175.29 174.95 1i16 n SER 73 N 1.23 0.13 -2.76 5.90 3.41 -1.26 -3.52 113.62 116.74 1i16 n SER 73 Ca -0.03 -0.48 -0.03 0.00 -0.26 0.00 0.00 58.87 58.07 1i16 n SER 73 Cb 0.49 -0.98 -0.02 0.00 -0.26 0.00 0.00 64.21 63.44 1i16 n SER 73 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1i16 n GLU 74 N 7.45 -2.94 -1.24 4.33 4.71 -1.26 -4.83 120.64 126.86 1i16 n GLU 74 Ca 0.60 2.32 -0.25 0.00 -0.01 0.00 0.00 57.16 59.81 1i16 n GLU 74 Cb 0.21 -2.92 0.17 0.00 -1.01 0.00 0.00 31.44 27.88 1i16 n GLU 74 CO 0.00 0.00 0.00 -2.37 0.09 0.00 0.00 177.13 174.85 1i16 n THR 75 N 2.11 3.26 -3.54 2.62 5.66 -1.23 -4.92 114.28 118.24 1i16 n THR 75 Ca -0.19 -2.04 -0.11 0.00 -3.05 0.00 0.00 64.05 58.66 1i16 n THR 75 Cb 0.30 -0.55 -0.03 0.00 -1.55 0.00 0.00 70.33 68.49 1i16 n THR 75 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 1i16 s VAL 76 N -3.48 0.03 -0.03 1.08 1.01 -1.26 -4.83 120.40 112.92 1i16 s VAL 76 Ca 0.58 -0.32 -0.06 0.00 0.00 0.00 0.00 61.98 62.17 1i16 s VAL 76 Cb 0.48 -1.16 0.01 0.00 0.00 0.00 0.00 36.38 35.72 1i16 s VAL 76 CO 0.10 -0.12 0.15 0.00 0.00 0.00 0.00 175.10 175.22 1i16 s GLN 77 N -3.79 0.34 -0.38 2.72 0.00 -1.26 -5.10 119.66 112.19 1i16 s GLN 77 Ca 0.03 -0.09 -0.29 0.00 -0.00 0.00 0.00 55.36 55.01 1i16 s GLN 77 Cb -0.00 0.15 0.02 0.00 0.00 0.00 0.00 33.01 33.17 1i16 s GLN 77 CO -0.11 -0.07 1.17 -1.25 0.00 0.00 0.00 175.29 175.04 1i16 s PRO 78 N -0.66 3.87 0.00 9.60 0.04 -1.26 -3.45 135.00 143.15 1i16 s PRO 78 Ca -0.07 0.92 0.00 0.00 0.04 0.00 0.00 61.00 61.88 1i16 s PRO 78 Cb -0.04 -3.85 0.00 0.00 0.04 0.00 0.00 34.50 30.64 1i16 s PRO 78 CO 0.01 -1.18 0.00 0.41 0.04 0.00 0.00 177.00 176.28 1i16 n GLY 79 N 4.41 0.58 3.71 0.56 0.00 0.50 -4.92 105.19 110.04 1i16 n GLY 79 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 1i16 n GLY 79 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1i16 s ASP 80 N -2.20 3.58 -1.24 1.61 -1.08 -1.22 -4.51 116.67 111.60 1i16 s ASP 80 Ca 0.00 2.14 -0.12 0.00 -0.52 0.00 0.00 52.55 54.05 1i16 s ASP 80 Cb 0.00 -2.56 0.17 0.00 -1.46 0.00 0.00 42.92 39.07 1i16 s ASP 80 CO 0.00 -2.67 1.63 1.21 0.52 0.00 0.00 175.17 175.87 1i16 n GLU 81 N -3.73 3.47 -2.68 4.34 2.13 -1.25 -3.02 120.64 119.90 1i16 n GLU 81 Ca 0.12 -3.70 -0.43 0.00 0.66 0.00 0.00 57.16 53.81 1i16 n GLU 81 Cb 0.52 -3.00 -0.02 0.00 0.27 0.00 0.00 31.44 29.20 1i16 n GLU 81 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 1i16 s ILE 82 N 1.12 4.70 -0.01 6.31 1.01 -1.16 -3.46 121.20 129.71 1i16 s ILE 82 Ca 0.42 2.01 -0.15 0.00 0.00 0.00 0.00 60.65 62.92 1i16 s ILE 82 Cb 0.03 -4.30 -0.34 0.00 0.01 0.00 0.00 42.46 37.86 1i16 s ILE 82 CO 0.00 -0.15 0.87 -0.07 0.00 0.00 0.00 174.94 175.59 1i16 h LEU 83 N 9.25 0.73 -8.55 2.97 -0.00 -1.83 -3.40 115.31 114.49 1i16 h LEU 83 Ca -0.21 -0.93 -0.24 0.00 -0.00 0.00 0.00 57.88 56.51 1i16 h LEU 83 Cb 1.07 -0.24 -0.12 0.00 -0.00 0.00 0.00 40.66 41.38 1i16 h LEU 83 CO 0.96 1.71 -0.40 0.00 -0.00 0.00 0.00 178.44 180.71 1i16 s GLN 84 N -2.57 1.51 0.39 1.13 -2.07 -1.26 -2.26 119.66 114.53 1i16 s GLN 84 Ca -0.12 -1.63 0.08 0.00 -1.82 0.00 0.00 55.36 51.86 1i16 s GLN 84 Cb 0.04 0.36 -0.07 0.00 -1.09 0.00 0.00 33.01 32.25 1i16 s GLN 84 CO 0.90 -0.57 -0.02 -1.17 -1.32 0.00 0.00 175.29 173.11 1i16 s LEU 85 N -3.18 2.80 0.61 2.60 0.20 0.98 -3.70 118.68 119.00 1i16 s LEU 85 Ca 0.34 -1.32 0.25 0.00 0.69 0.00 0.00 54.13 54.08 1i16 s LEU 85 Cb 0.03 -0.90 1.07 0.00 -0.43 0.00 0.00 46.19 45.96 1i16 s LEU 85 CO 0.15 -0.39 1.52 1.23 -0.29 0.00 0.00 176.35 178.58 1i16 h GLY 86 N 1.86 0.00 -5.11 7.98 0.00 0.12 -2.08 103.07 105.85 1i16 h GLY 86 Ca -0.43 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 46.63 1i16 h GLY 86 CO 0.77 0.00 -0.81 0.61 0.00 0.00 0.00 176.54 177.11 1i16 n GLY 87 N -1.58 1.63 3.64 4.60 0.00 -1.26 -4.80 105.19 107.42 1i16 n GLY 87 Ca 0.13 -0.75 -0.07 0.00 0.00 0.00 0.00 46.02 45.33 1i16 n GLY 87 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1i16 s THR 88 N -1.92 0.00 -0.04 2.61 -1.32 -0.78 -4.50 115.64 109.70 1i16 s THR 88 Ca 0.23 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 60.71 1i16 s THR 88 Cb 0.41 -1.00 0.02 0.00 -1.51 0.00 0.00 72.50 70.42 1i16 s THR 88 CO -0.04 0.00 -0.02 0.00 -2.21 0.00 0.00 174.62 172.35 1i16 s ALA 89 N 0.46 0.48 -0.17 11.08 0.00 -1.26 0.33 121.76 132.68 1i16 s ALA 89 Ca 0.01 0.06 -0.20 0.00 0.00 0.00 0.00 51.96 51.83 1i16 s ALA 89 Cb -0.05 -0.37 -0.22 0.00 0.00 0.00 0.00 23.12 22.48 1i16 s ALA 89 CO -0.09 -0.05 0.38 1.98 0.00 0.00 0.00 175.76 177.97 1i16 h MET 90 N 7.23 0.07 -1.48 0.00 4.05 -1.82 -3.37 114.93 119.62 1i16 h MET 90 Ca -0.40 -0.13 0.44 0.00 -0.28 0.00 0.00 59.70 59.33 1i16 h MET 90 Cb 1.14 0.05 -0.07 0.00 -0.80 0.00 0.00 31.60 31.92 1i16 h MET 90 CO 0.47 1.06 1.05 1.04 0.23 0.00 0.00 176.91 180.76 1i16 n GLN 91 N -4.27 -0.01 -2.25 0.39 3.00 -1.26 0.29 117.38 113.28 1i16 n GLN 91 Ca -0.28 0.88 -0.31 0.00 -0.01 0.00 0.00 57.00 57.29 1i16 n GLN 91 Cb 0.73 -1.98 0.02 0.00 0.00 0.00 0.00 30.24 29.01 1i16 n GLN 91 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1i16 n GLY 92 N -1.67 5.88 0.00 1.08 0.00 -1.26 -4.98 105.19 104.24 1i16 n GLY 92 Ca 0.35 -2.66 0.00 0.00 0.00 0.00 0.00 46.02 43.71 1i16 n GLY 92 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1i16 n LEU 93 N -0.53 0.00 -4.37 0.99 4.77 0.83 -5.02 117.00 113.68 1i16 n LEU 93 Ca 0.45 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 56.22 1i16 n LEU 93 Cb 0.55 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.53 1i16 n LEU 93 CO 0.40 0.00 -0.46 0.42 -1.33 0.00 0.00 177.39 176.42 1i16 s THR 94 N -2.54 1.91 0.00 -5.08 -4.23 -1.26 -4.76 115.64 99.68 1i16 s THR 94 Ca 0.00 -2.15 -0.00 0.00 -1.18 0.00 0.00 61.69 58.36 1i16 s THR 94 Cb 0.00 -2.03 -0.00 0.00 1.34 0.00 0.00 72.50 71.81 1i16 s THR 94 CO 0.00 -0.46 1.00 -0.09 -0.54 0.00 0.00 174.62 174.53 1i16 h ARG 95 N 2.74 -0.00 -0.23 3.99 2.43 -1.92 0.77 114.38 122.15 1i16 h ARG 95 Ca -0.40 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 58.79 1i16 h ARG 95 Cb 1.22 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.75 1i16 h ARG 95 CO 0.58 -0.00 0.09 0.74 -1.51 0.00 0.00 179.97 179.87 1i16 h PHE 96 N -0.00 0.16 -0.91 2.20 0.04 -1.90 -1.63 116.94 114.90 1i16 h PHE 96 Ca 0.00 0.01 0.13 0.00 2.80 0.00 0.00 57.97 60.92 1i16 h PHE 96 Cb 0.00 -0.04 -0.09 0.00 2.20 0.00 0.00 35.95 38.02 1i16 h PHE 96 CO -0.60 0.08 0.53 0.93 -0.60 0.00 0.00 178.31 178.65 1i16 h GLU 97 N 0.20 0.76 0.32 1.51 4.39 -1.88 0.31 114.58 120.19 1i16 h GLU 97 Ca 0.10 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.74 1i16 h GLU 97 Cb 0.06 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 28.54 1i16 h GLU 97 CO -0.09 0.51 -0.15 0.00 -1.16 0.00 0.00 179.01 178.11 1i16 h ALA 98 N 1.54 -0.90 0.00 3.43 0.00 0.15 -2.17 119.26 121.31 1i16 h ALA 98 Ca 0.48 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1i16 h ALA 98 Cb 0.58 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1i16 h ALA 98 CO -0.31 -0.87 0.28 2.35 0.00 0.00 0.00 179.25 180.70 1i16 h TRP 99 N -0.51 0.00 0.05 0.00 -0.00 -1.19 -2.20 115.95 112.11 1i16 h TRP 99 Ca -0.04 0.00 -0.08 0.00 -0.00 0.00 0.00 58.89 58.77 1i16 h TRP 99 Cb 0.33 0.00 0.01 0.00 -0.00 0.00 0.00 29.16 29.49 1i16 h TRP 99 CO 0.11 0.00 -0.36 -0.91 -0.00 0.00 0.00 178.44 177.28 1i16 h ASN 100 N 0.00 0.18 -1.02 2.65 2.35 -0.72 -3.29 115.58 115.74 1i16 h ASN 100 Ca 0.00 -0.97 0.24 0.00 -0.55 0.00 0.00 56.30 55.03 1i16 h ASN 100 Cb 0.56 -0.06 -0.10 0.00 0.05 0.00 0.00 38.32 38.77 1i16 h ASN 100 CO 0.00 1.17 0.63 0.40 -1.65 0.00 0.00 177.43 177.98 1i16 h ILE 101 N -0.76 0.57 0.61 2.81 5.03 -0.74 -2.00 117.51 123.03 1i16 h ILE 101 Ca -0.07 -0.18 -0.03 0.00 -0.12 0.00 0.00 64.86 64.47 1i16 h ILE 101 Cb 1.26 0.01 0.00 0.00 -3.03 0.00 0.00 36.82 35.06 1i16 h ILE 101 CO 0.05 0.09 -0.31 0.40 -0.68 0.00 0.00 178.15 177.70 1i16 h ILE 102 N 0.51 0.00 -1.14 -0.67 5.03 -1.64 -1.92 117.51 117.67 1i16 h ILE 102 Ca 0.60 0.00 0.33 0.00 -0.12 0.00 0.00 64.86 65.67 1i16 h ILE 102 Cb 1.30 0.00 -0.05 0.00 -3.03 0.00 0.00 36.82 35.05 1i16 h ILE 102 CO -0.36 0.00 1.02 0.11 -0.68 0.00 0.00 178.15 178.24 1i16 h LYS 103 N -0.85 0.00 -0.01 2.37 1.57 -1.44 2.02 116.57 120.24 1i16 h LYS 103 Ca -0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1i16 h LYS 103 Cb 0.66 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.97 1i16 h LYS 103 CO 0.13 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 179.01 1i16 n ALA 104 N -2.54 2.66 -1.99 3.86 0.00 -0.73 -4.85 120.51 116.92 1i16 n ALA 104 Ca 0.25 -0.23 -0.23 0.00 0.00 0.00 0.00 53.44 53.23 1i16 n ALA 104 Cb 1.38 -1.44 0.09 0.00 0.00 0.00 0.00 19.45 19.48 1i16 n ALA 104 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1i16 s LEU 105 N -1.94 3.03 0.00 0.00 1.43 0.68 -5.09 118.68 116.80 1i16 s LEU 105 Ca 0.44 -0.34 -0.15 0.00 -1.03 0.00 0.00 54.13 53.05 1i16 s LEU 105 Cb 0.21 -2.11 0.22 0.00 0.03 0.00 0.00 46.19 44.53 1i16 s LEU 105 CO 0.35 -1.70 1.30 -0.81 0.23 0.00 0.00 176.35 175.71 1i16 n PRO 106 N -2.71 -1.19 -3.18 1.29 -0.04 -1.26 -5.00 135.00 122.90 1i16 n PRO 106 Ca 0.14 -2.11 -0.46 0.00 -0.04 0.00 0.00 63.50 61.04 1i16 n PRO 106 Cb 0.60 -1.30 -0.03 0.00 -0.04 0.00 0.00 33.50 32.73 1i16 n PRO 106 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1i16 s ASP 107 N -5.78 6.53 0.00 3.54 1.01 -1.26 -4.75 116.67 115.96 1i16 s ASP 107 Ca 0.74 -2.14 0.00 0.00 0.71 0.00 0.00 52.55 51.87 1i16 s ASP 107 Cb -0.02 -2.28 0.00 0.00 1.01 0.00 0.00 42.92 41.63 1i16 s ASP 107 CO 0.52 -0.85 0.00 0.61 0.21 0.00 0.00 175.17 175.66 1i16 n GLY 108 N 4.78 4.66 3.55 0.21 0.00 -1.26 -4.81 105.19 112.31 1i16 n GLY 108 Ca 0.07 -1.15 -0.40 0.00 0.00 0.00 0.00 46.02 44.55 1i16 n GLY 108 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1i16 s PRO 109 N 1.31 3.08 -0.44 1.61 0.04 -1.26 -0.82 135.00 138.52 1i16 s PRO 109 Ca 0.00 -0.13 -0.23 0.00 0.04 0.00 0.00 61.00 60.68 1i16 s PRO 109 Cb 0.00 -4.36 0.02 0.00 0.04 0.00 0.00 34.50 30.20 1i16 s PRO 109 CO 0.00 -2.33 0.77 0.54 0.04 0.00 0.00 177.00 176.02 1i16 s VAL 110 N 6.56 4.68 -0.08 -0.36 0.11 -1.26 -4.86 120.40 125.20 1i16 s VAL 110 Ca 0.44 0.45 -0.22 0.00 -2.93 0.00 0.00 61.98 59.72 1i16 s VAL 110 Cb -0.08 -4.29 -0.04 0.00 -1.53 0.00 0.00 36.38 30.44 1i16 s VAL 110 CO 0.14 -0.67 0.65 -0.89 -3.33 0.00 0.00 175.10 171.00 1i16 s THR 111 N 3.21 5.08 0.24 5.04 2.01 -1.26 0.14 115.64 130.08 1i16 s THR 111 Ca 0.29 1.33 0.09 0.00 0.31 0.00 0.00 61.69 63.72 1i16 s THR 111 Cb -0.12 -3.99 -0.04 0.00 0.01 0.00 0.00 72.50 68.35 1i16 s THR 111 CO 0.21 0.26 -0.05 0.27 -0.69 0.00 0.00 174.62 174.63 1i16 s ILE 112 N 0.81 3.30 -0.30 1.82 -4.36 0.80 0.15 121.20 123.42 1i16 s ILE 112 Ca 0.35 -1.85 -0.00 0.00 -0.26 0.00 0.00 60.65 58.89 1i16 s ILE 112 Cb -0.17 -2.72 0.09 0.00 1.25 0.00 0.00 42.46 40.91 1i16 s ILE 112 CO 0.16 -0.28 0.07 -0.69 0.24 0.00 0.00 174.94 174.44 1i16 s VAL 113 N -2.11 1.13 -0.14 8.37 1.01 -1.24 -1.04 120.40 126.38 1i16 s VAL 113 Ca 0.29 -1.47 -0.03 0.00 0.00 0.00 0.00 61.98 60.77 1i16 s VAL 113 Cb -0.07 -1.79 -0.03 0.00 0.00 0.00 0.00 36.38 34.48 1i16 s VAL 113 CO 0.18 -0.58 -0.02 0.27 0.00 0.00 0.00 175.10 174.95 1i16 s ILE 114 N 1.50 4.08 -0.22 2.22 -5.25 -1.23 -2.97 121.20 119.34 1i16 s ILE 114 Ca 0.08 -0.30 0.00 0.00 -0.99 0.00 0.00 60.65 59.44 1i16 s ILE 114 Cb -0.18 -2.77 0.05 0.00 2.95 0.00 0.00 42.46 42.52 1i16 s ILE 114 CO -0.19 0.52 -0.06 -0.60 -1.79 0.00 0.00 174.94 172.81 1i16 s ARG 115 N 0.04 1.64 -0.14 0.37 3.52 -1.22 0.02 118.95 123.18 1i16 s ARG 115 Ca 0.01 -0.87 -0.07 0.00 -0.13 0.00 0.00 55.73 54.67 1i16 s ARG 115 Cb -0.13 -2.46 -0.04 0.00 -1.56 0.00 0.00 34.95 30.76 1i16 s ARG 115 CO 0.02 -0.54 0.10 0.50 -0.81 0.00 0.00 175.30 174.57 1i16 s ARG 116 N 1.45 3.60 -0.66 5.12 3.00 -0.40 -3.82 118.95 127.24 1i16 s ARG 116 Ca -0.04 -0.23 -0.09 0.00 -1.00 0.00 0.00 55.73 54.37 1i16 s ARG 116 Cb -0.18 -3.17 0.17 0.00 0.00 0.00 0.00 34.95 31.77 1i16 s ARG 116 CO -0.07 0.59 0.54 0.15 0.00 0.00 0.00 175.30 176.51 1i16 s LYS 117 N -0.50 2.96 0.00 5.12 3.01 -1.26 -1.98 119.74 127.08 1i16 s LYS 117 Ca 0.11 -2.28 0.00 0.00 -1.01 0.00 0.00 55.97 52.79 1i16 s LYS 117 Cb -0.12 -4.07 0.00 0.00 -1.01 0.00 0.00 37.83 32.63 1i16 s LYS 117 CO 0.02 -1.23 0.00 -1.13 0.51 0.00 0.00 175.35 173.52 1i16 n SER 118 N 4.10 -0.22 -4.55 2.83 3.41 -1.26 -4.90 113.62 113.03 1i16 n SER 118 Ca 0.05 -0.32 -0.45 0.00 -0.26 0.00 0.00 58.87 57.89 1i16 n SER 118 Cb 0.42 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.35 1i16 n SER 118 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1i16 n LEU 119 N 0.00 1.18 0.22 1.04 4.32 -1.26 -4.77 117.00 117.73 1i16 n LEU 119 Ca 0.00 1.17 0.00 0.00 -0.02 0.00 0.00 56.01 57.16 1i16 n LEU 119 Cb 0.00 -1.22 0.00 0.00 -1.62 0.00 0.00 43.42 40.58 1i16 n LEU 119 CO 0.00 -1.73 0.00 1.67 -1.22 0.00 0.00 177.39 176.11 1i16 n GLN 120 N 0.77 0.00 -3.10 3.23 7.27 -1.26 -4.97 117.38 119.32 1i16 n GLN 120 Ca 0.11 0.00 -0.04 0.00 0.07 0.00 0.00 57.00 57.14 1i16 n GLN 120 Cb 0.31 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.96 1i16 n GLN 120 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 1i16 n SER 121 N -3.43 -6.86 -2.59 1.69 7.64 -1.26 -4.71 113.62 104.11 1i16 n SER 121 Ca 0.00 0.59 -0.25 0.00 1.01 0.00 0.00 58.87 60.23 1i16 n SER 121 Cb 0.00 -2.60 -0.09 0.00 -1.01 0.00 0.00 64.21 60.50 1i16 n SER 121 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 1i16 n LYS 122 N 0.95 2.80 0.05 1.43 2.85 -1.26 -4.36 118.16 120.61 1i16 n LYS 122 Ca -0.00 -1.85 -0.15 0.00 -1.05 0.00 0.00 58.31 55.25 1i16 n LYS 122 Cb 0.40 -2.29 -0.14 0.00 -0.65 0.00 0.00 35.03 32.35 1i16 n LYS 122 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 1i16 h GLU 123 N 3.66 0.20 -1.94 -1.58 5.08 -2.07 -3.48 114.58 114.45 1i16 h GLU 123 Ca 0.46 -0.35 -0.06 0.00 -1.00 0.00 0.00 59.36 58.41 1i16 h GLU 123 Cb 0.92 0.13 0.02 0.00 0.50 0.00 0.00 28.75 30.32 1i16 h GLU 123 CO 0.88 1.04 -0.11 2.41 -1.00 0.00 0.00 179.01 182.23 1i16 n THR 124 N -3.40 -0.57 -0.09 1.13 -1.04 -1.26 -4.96 114.28 104.09 1i16 n THR 124 Ca -0.16 -0.02 -0.08 0.00 -2.04 0.00 0.00 64.05 61.75 1i16 n THR 124 Cb 1.04 -2.14 -0.06 0.00 -1.82 0.00 0.00 70.33 67.35 1i16 n THR 124 CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 1i16 h THR 125 N -0.38 0.00 -0.14 12.58 2.02 -1.94 -3.44 112.91 121.62 1i16 h THR 125 Ca -0.09 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.03 1i16 h THR 125 Cb 1.05 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.44 1i16 h THR 125 CO 0.08 0.00 -0.06 0.00 0.37 0.00 0.00 175.52 175.92 1i16 n ALA 126 N -2.95 -0.05 -2.88 6.16 0.00 -1.26 -4.99 120.51 114.55 1i16 n ALA 126 Ca -0.02 0.05 -0.21 0.00 0.00 0.00 0.00 53.44 53.26 1i16 n ALA 126 Cb 0.20 -0.97 -0.03 0.00 0.00 0.00 0.00 19.45 18.65 1i16 n ALA 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i16 s ALA 127 N -1.70 3.74 -0.14 0.00 0.00 -1.26 -4.82 121.76 117.58 1i16 s ALA 127 Ca 0.00 -1.34 -0.04 0.00 0.00 0.00 0.00 51.96 50.57 1i16 s ALA 127 Cb 0.00 -1.49 0.02 0.00 0.00 0.00 0.00 23.12 21.65 1i16 s ALA 127 CO 0.00 0.24 0.09 0.41 0.00 0.00 0.00 175.76 176.50 1i16 n GLY 128 N -1.28 -2.86 3.79 0.00 0.00 -1.26 -4.90 105.19 98.67 1i16 n GLY 128 Ca -0.08 0.75 -0.38 0.00 0.00 0.00 0.00 46.02 46.31 1i16 n GLY 128 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1i16 s ASP 129 N -0.79 7.32 0.00 1.61 1.11 -1.26 -5.21 116.67 119.44 1i16 s ASP 129 Ca -0.10 1.66 0.00 0.00 0.18 0.00 0.00 52.55 54.29 1i16 s ASP 129 Cb 0.01 -2.51 0.00 0.00 1.07 0.00 0.00 42.92 41.49 1i16 s ASP 129 CO 0.46 0.09 0.00 -1.54 1.18 0.00 0.00 175.17 175.36