#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kb3 n SER 2 N 0.00 2.41 -3.73 3.17 2.88 -1.26 -5.15 113.62 111.94 2kb3 n SER 2 Ca 0.00 -2.66 -0.14 0.00 -1.33 0.00 0.00 58.87 54.75 2kb3 n SER 2 Cb 0.00 -0.17 -0.09 0.00 -0.75 0.00 0.00 64.21 63.20 2kb3 n SER 2 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 2kb3 s ASP 3 N -4.17 -0.28 -0.07 -3.46 1.47 -1.26 -5.14 116.67 103.76 2kb3 s ASP 3 Ca 0.40 0.29 -0.28 0.00 1.18 0.00 0.00 52.55 54.14 2kb3 s ASP 3 Cb -0.03 0.44 -0.02 0.00 -0.34 0.00 0.00 42.92 42.96 2kb3 s ASP 3 CO 0.25 -0.40 0.90 0.21 0.68 0.00 0.00 175.17 176.82 2kb3 s ASN 4 N -1.00 7.19 -0.46 2.11 2.47 -1.26 -5.01 114.94 118.99 2kb3 s ASN 4 Ca -0.11 1.45 -0.25 0.00 0.42 0.00 0.00 52.86 54.37 2kb3 s ASN 4 Cb -0.04 -2.51 0.03 0.00 -1.45 0.00 0.00 41.25 37.27 2kb3 s ASN 4 CO 0.04 -0.30 0.91 0.21 -3.72 0.00 0.00 177.10 174.24 2kb3 s ASN 5 N 1.01 6.49 0.00 -4.21 2.47 -1.26 -4.99 114.94 114.45 2kb3 s ASN 5 Ca 0.46 0.08 0.00 0.00 0.42 0.00 0.00 52.86 53.82 2kb3 s ASN 5 Cb -0.19 -2.44 0.00 0.00 -1.45 0.00 0.00 41.25 37.17 2kb3 s ASN 5 CO 0.21 -1.04 0.00 0.61 -3.72 0.00 0.00 177.10 173.16 2kb3 n GLY 6 N 4.94 0.66 3.51 1.21 0.00 -1.26 -4.98 105.19 109.27 2kb3 n GLY 6 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 2kb3 n GLY 6 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kb3 s THR 7 N 2.05 5.10 0.55 2.61 2.01 -1.26 -5.05 115.64 121.66 2kb3 s THR 7 Ca 0.00 -0.16 -0.21 0.00 0.31 0.00 0.00 61.69 61.63 2kb3 s THR 7 Cb 0.00 -3.97 -0.05 0.00 0.01 0.00 0.00 72.50 68.50 2kb3 s THR 7 CO 0.00 -0.31 1.27 -2.84 -0.69 0.00 0.00 174.62 172.05 2kb3 s PRO 8 N 2.13 3.15 0.05 4.92 0.02 -1.26 -4.99 135.00 139.02 2kb3 s PRO 8 Ca 0.13 2.01 -0.30 0.00 0.02 0.00 0.00 61.00 62.86 2kb3 s PRO 8 Cb -0.17 -2.15 -0.04 0.00 0.02 0.00 0.00 34.50 32.16 2kb3 s PRO 8 CO 0.13 -1.11 1.00 -1.21 -0.33 0.00 0.00 177.00 175.47 2kb3 s GLU 9 N -3.04 4.60 0.52 5.54 8.01 -1.26 -5.05 118.70 128.03 2kb3 s GLU 9 Ca 0.73 1.47 -0.16 0.00 0.01 0.00 0.00 54.97 57.02 2kb3 s GLU 9 Cb -0.35 -3.41 -0.07 0.00 -4.31 0.00 0.00 34.13 25.98 2kb3 s GLU 9 CO 0.40 0.03 0.99 -1.25 0.01 0.00 0.00 175.26 175.44 2kb3 s PRO 10 N 0.60 3.91 0.25 0.39 0.04 -1.26 -4.99 135.00 133.93 2kb3 s PRO 10 Ca 0.51 0.94 -0.06 0.00 0.04 0.00 0.00 61.00 62.43 2kb3 s PRO 10 Cb -0.23 -2.13 -0.06 0.00 0.04 0.00 0.00 34.50 32.13 2kb3 s PRO 10 CO 0.29 -0.30 0.52 -0.65 0.04 0.00 0.00 177.00 176.89 2kb3 s GLN 11 N -4.16 3.66 -0.18 4.56 -0.21 -1.26 -5.08 119.66 117.00 2kb3 s GLN 11 Ca 0.59 0.03 0.01 0.00 0.02 0.00 0.00 55.36 56.00 2kb3 s GLN 11 Cb -0.10 -2.69 0.01 0.00 1.00 0.00 0.00 33.01 31.23 2kb3 s GLN 11 CO 0.33 0.29 -0.18 0.08 -2.12 0.00 0.00 175.29 173.69 2kb3 s VAL 12 N -1.94 2.28 0.22 1.09 1.01 -1.26 -4.81 120.40 116.98 2kb3 s VAL 12 Ca 0.44 -0.87 -0.08 0.00 0.00 0.00 0.00 61.98 61.47 2kb3 s VAL 12 Cb -0.11 -1.96 -0.02 0.00 0.00 0.00 0.00 36.38 34.29 2kb3 s VAL 12 CO 0.27 0.52 0.32 -1.61 0.00 0.00 0.00 175.10 174.61 2kb3 s GLU 13 N 1.21 1.37 0.26 2.72 2.02 -1.26 -5.10 118.70 119.91 2kb3 s GLU 13 Ca 0.03 -1.38 -0.04 0.00 0.02 0.00 0.00 54.97 53.59 2kb3 s GLU 13 Cb -0.14 0.38 0.06 0.00 0.10 0.00 0.00 34.13 34.54 2kb3 s GLU 13 CO -0.09 -0.52 0.32 2.41 0.02 0.00 0.00 175.26 177.40 2kb3 n THR 14 N -0.32 0.00 0.00 3.63 -1.04 -1.26 -4.90 114.28 110.39 2kb3 n THR 14 Ca -0.01 -0.22 0.00 0.00 -2.04 0.00 0.00 64.05 61.78 2kb3 n THR 14 Cb 0.64 -1.67 0.00 0.00 -1.82 0.00 0.00 70.33 67.47 2kb3 n THR 14 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 2kb3 n SER 16 N -3.28 0.00 -4.72 8.00 7.64 -1.26 -4.90 113.62 115.09 2kb3 n SER 16 Ca 0.04 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.52 2kb3 n SER 16 Cb 0.15 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.30 2kb3 n SER 16 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2kb3 s VAL 17 N -0.75 5.00 -0.14 0.44 1.01 -1.26 -4.58 120.40 120.11 2kb3 s VAL 17 Ca 0.00 1.51 -0.13 0.00 0.00 0.00 0.00 61.98 63.36 2kb3 s VAL 17 Cb 0.00 -4.07 -0.05 0.00 0.00 0.00 0.00 36.38 32.26 2kb3 s VAL 17 CO 0.00 0.26 0.28 0.72 0.00 0.00 0.00 175.10 176.36 2kb3 s PHE 18 N 0.72 3.49 -0.57 5.22 -0.12 -1.22 -5.04 117.98 120.46 2kb3 s PHE 18 Ca 0.39 0.61 -0.01 0.00 -0.05 0.00 0.00 56.93 57.87 2kb3 s PHE 18 Cb -0.18 -2.29 0.15 0.00 -0.63 0.00 0.00 43.02 40.06 2kb3 s PHE 18 CO 0.19 0.32 0.36 1.03 -0.05 0.00 0.00 175.22 177.08 2kb3 s ARG 19 N 0.18 2.34 0.00 1.99 3.00 -1.26 -4.82 118.95 120.38 2kb3 s ARG 19 Ca 0.16 -2.46 0.00 0.00 0.00 0.00 0.00 55.73 53.44 2kb3 s ARG 19 Cb -0.13 -3.60 0.00 0.00 0.00 0.00 0.00 34.95 31.22 2kb3 s ARG 19 CO 0.04 -1.14 0.00 0.00 0.00 0.00 0.00 175.30 174.20 2kb3 n ALA 20 N 3.53 0.51 -0.19 2.13 0.00 -1.26 -4.97 120.51 120.28 2kb3 n ALA 20 Ca 0.06 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.62 2kb3 n ALA 20 Cb 0.37 0.00 0.43 0.00 0.00 0.00 0.00 19.45 20.25 2kb3 n ALA 20 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2kb3 h ASP 21 N 0.00 0.53 0.00 0.00 3.58 -2.01 -2.48 116.42 116.03 2kb3 h ASP 21 Ca 0.00 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.47 2kb3 h ASP 21 Cb 0.00 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 40.96 2kb3 h ASP 21 CO 0.00 0.30 0.07 0.18 -2.88 0.00 0.00 179.24 176.90 2kb3 n LEU 22 N -4.50 0.24 0.14 2.28 4.77 -1.26 -1.41 117.00 117.26 2kb3 n LEU 22 Ca 0.14 0.57 0.13 0.00 -0.03 0.00 0.00 56.01 56.81 2kb3 n LEU 22 Cb 0.42 -0.59 0.33 0.00 -2.33 0.00 0.00 43.42 41.25 2kb3 n LEU 22 CO 0.32 -0.65 0.86 0.25 -1.33 0.00 0.00 177.39 176.84 2kb3 h LEU 23 N 0.00 0.00 -0.99 2.23 5.85 -1.85 -3.36 115.31 117.20 2kb3 h LEU 23 Ca 0.00 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 2kb3 h LEU 23 Cb 0.13 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.12 2kb3 h LEU 23 CO 0.00 0.00 0.56 0.11 -0.34 0.00 0.00 178.44 178.77 2kb3 h LYS 24 N 0.00 1.25 0.00 1.25 1.57 -1.47 -2.24 116.57 116.92 2kb3 h LYS 24 Ca 0.00 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 2kb3 h LYS 24 Cb 0.82 -0.26 0.00 0.00 0.08 0.00 0.00 32.23 32.86 2kb3 h LYS 24 CO 0.00 0.87 0.00 0.39 -0.57 0.00 0.00 179.45 180.14 2kb3 n GLU 25 N -4.36 0.20 0.21 3.15 -0.58 -1.26 -2.97 120.64 115.04 2kb3 n GLU 25 Ca 0.10 0.36 0.07 0.00 -0.42 0.00 0.00 57.16 57.27 2kb3 n GLU 25 Cb 0.06 -1.84 0.59 0.00 -0.57 0.00 0.00 31.44 29.68 2kb3 n GLU 25 CO 0.00 0.00 0.00 1.98 -0.48 0.00 0.00 177.13 178.63 2kb3 h MET 26 N 0.00 0.09 0.00 3.49 4.05 -1.64 0.30 114.93 121.22 2kb3 h MET 26 Ca 0.00 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.41 2kb3 h MET 26 Cb 0.46 -0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.23 2kb3 h MET 26 CO 0.00 0.07 0.00 0.93 0.23 0.00 0.00 176.91 178.14 2kb3 h GLU 27 N 0.09 0.00 0.00 0.39 4.39 -1.70 -2.03 114.58 115.72 2kb3 h GLU 27 Ca 0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.72 2kb3 h GLU 27 Cb 0.01 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.66 2kb3 h GLU 27 CO -0.00 0.00 0.00 1.03 -1.16 0.00 0.00 179.01 178.88 2kb3 h SER 28 N 0.00 0.00 0.17 1.42 0.87 -1.13 -3.12 113.55 111.75 2kb3 h SER 28 Ca 0.00 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.52 2kb3 h SER 28 Cb 0.37 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.32 2kb3 h SER 28 CO 0.00 0.00 -0.19 0.28 -0.53 0.00 0.00 176.83 176.39 2kb3 h SER 29 N 0.00 0.04 -3.62 6.23 0.02 -1.47 -3.37 113.55 111.38 2kb3 h SER 29 Ca 0.00 -0.01 -0.58 0.00 -0.84 0.00 0.00 61.79 60.37 2kb3 h SER 29 Cb 0.82 -0.01 -0.08 0.00 0.14 0.00 0.00 62.40 63.27 2kb3 h SER 29 CO 0.00 0.23 0.79 -0.89 -1.14 0.00 0.00 176.83 175.82 2kb3 s THR 30 N -4.62 4.36 0.00 -2.27 2.01 -1.18 -4.42 115.64 109.52 2kb3 s THR 30 Ca -0.04 1.17 0.00 0.00 0.31 0.00 0.00 61.69 63.13 2kb3 s THR 30 Cb 0.16 -4.50 0.00 0.00 0.01 0.00 0.00 72.50 68.16 2kb3 s THR 30 CO 0.71 -0.84 0.00 0.61 -0.69 0.00 0.00 174.62 174.41 2kb3 n GLY 31 N 4.68 2.37 3.47 4.40 0.00 -1.26 -5.00 105.19 113.86 2kb3 n GLY 31 Ca 0.10 -0.69 -0.36 0.00 0.00 0.00 0.00 46.02 45.07 2kb3 n GLY 31 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kb3 s THR 32 N 0.00 4.39 -0.03 2.61 2.01 -1.26 -5.07 115.64 118.29 2kb3 s THR 32 Ca 0.00 -0.15 0.04 0.00 0.31 0.00 0.00 61.69 61.89 2kb3 s THR 32 Cb 0.00 -3.05 -0.00 0.00 0.01 0.00 0.00 72.50 69.46 2kb3 s THR 32 CO 0.00 0.35 -0.15 0.00 -0.69 0.00 0.00 174.62 174.13 2kb3 s ALA 33 N 1.45 1.35 0.69 7.40 0.00 -1.26 -4.67 121.76 126.72 2kb3 s ALA 33 Ca 0.06 -0.61 -0.15 0.00 0.00 0.00 0.00 51.96 51.25 2kb3 s ALA 33 Cb -0.15 -0.44 0.02 0.00 0.00 0.00 0.00 23.12 22.55 2kb3 s ALA 33 CO 0.04 0.25 1.15 -1.25 0.00 0.00 0.00 175.76 175.96 2kb3 s PRO 34 N 0.01 2.50 0.28 0.00 0.04 -1.26 -5.05 135.00 131.52 2kb3 s PRO 34 Ca -0.02 1.56 0.03 0.00 0.04 0.00 0.00 61.00 62.61 2kb3 s PRO 34 Cb -0.10 -1.90 -0.06 0.00 0.04 0.00 0.00 34.50 32.49 2kb3 s PRO 34 CO 0.01 -1.52 0.06 0.00 0.04 0.00 0.00 177.00 175.60 2kb3 s ALA 35 N -2.17 1.99 0.30 8.56 0.00 -1.26 -5.11 121.76 124.06 2kb3 s ALA 35 Ca 0.70 -1.92 -0.30 0.00 0.00 0.00 0.00 51.96 50.44 2kb3 s ALA 35 Cb -0.24 0.78 -0.12 0.00 0.00 0.00 0.00 23.12 23.54 2kb3 s ALA 35 CO 0.43 -0.36 1.45 -1.13 0.00 0.00 0.00 175.76 176.15 2kb3 n SER 36 N -0.54 3.21 -0.09 0.00 3.41 -1.26 -4.92 113.62 113.43 2kb3 n SER 36 Ca -0.02 1.17 0.01 0.00 -0.26 0.00 0.00 58.87 59.77 2kb3 n SER 36 Cb 0.66 -1.51 0.01 0.00 -0.26 0.00 0.00 64.21 63.11 2kb3 n SER 36 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2kb3 n THR 37 N 1.44 0.17 -0.44 6.66 -1.04 -1.26 -4.93 114.28 114.88 2kb3 n THR 37 Ca 0.08 -0.59 0.00 0.00 -2.04 0.00 0.00 64.05 61.50 2kb3 n THR 37 Cb 0.35 0.95 0.00 0.00 -1.82 0.00 0.00 70.33 69.81 2kb3 n THR 37 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2kb3 n GLY 38 N 0.05 0.75 0.06 3.41 0.00 -1.26 -4.90 105.19 103.29 2kb3 n GLY 38 Ca 0.01 -0.25 0.12 0.00 0.00 0.00 0.00 46.02 45.90 2kb3 n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kb3 n ALA 39 N -0.67 3.57 0.44 4.61 0.00 -1.26 -3.94 120.51 123.26 2kb3 n ALA 39 Ca 0.00 -0.39 0.08 0.00 0.00 0.00 0.00 53.44 53.13 2kb3 n ALA 39 Cb 0.00 -1.09 0.35 0.00 0.00 0.00 0.00 19.45 18.71 2kb3 n ALA 39 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2kb3 n GLU 40 N -1.31 0.06 0.18 0.00 4.71 -1.26 -0.43 120.64 122.58 2kb3 n GLU 40 Ca 0.07 0.32 0.07 0.00 -0.01 0.00 0.00 57.16 57.61 2kb3 n GLU 40 Cb 0.34 -1.61 0.11 0.00 -1.01 0.00 0.00 31.44 29.26 2kb3 n GLU 40 CO 0.00 0.00 0.00 -0.97 0.09 0.00 0.00 177.13 176.25 2kb3 h ASN 41 N 0.00 0.00 -5.31 1.62 -0.00 -1.96 -3.49 115.58 106.44 2kb3 h ASN 41 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 56.30 56.24 2kb3 h ASN 41 Cb 0.26 0.00 0.05 0.00 -0.00 0.00 0.00 38.32 38.63 2kb3 h ASN 41 CO 0.00 0.27 -0.20 0.18 -0.00 0.00 0.00 177.43 177.68 2kb3 n LEU 42 N -3.18 -6.38 0.11 0.34 7.99 0.43 -4.95 117.00 111.35 2kb3 n LEU 42 Ca 0.03 -0.22 -0.13 0.00 -0.01 0.00 0.00 56.01 55.68 2kb3 n LEU 42 Cb 0.63 -3.22 -0.06 0.00 -0.11 0.00 0.00 43.42 40.67 2kb3 n LEU 42 CO 0.37 -0.80 0.68 1.55 -1.51 0.00 0.00 177.39 177.68 2kb3 h PRO 43 N 0.08 -0.45 0.00 3.23 0.13 -1.84 -2.78 132.00 130.38 2kb3 h PRO 43 Ca -0.14 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.02 2kb3 h PRO 43 Cb 1.07 0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2kb3 h PRO 43 CO 0.32 -0.30 -0.39 0.00 -0.23 0.00 0.00 178.00 177.40 2kb3 h ALA 44 N 0.26 0.74 0.00 -0.56 0.00 -1.93 -3.47 119.26 114.31 2kb3 h ALA 44 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2kb3 h ALA 44 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2kb3 h ALA 44 CO -0.16 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.50 2kb3 n GLY 45 N 1.32 1.65 3.37 0.00 0.00 -1.05 -5.00 105.19 105.48 2kb3 n GLY 45 Ca 0.04 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.87 2kb3 n GLY 45 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kb3 s SER 46 N -2.50 2.49 0.05 1.61 0.01 -1.26 -4.98 113.70 109.11 2kb3 s SER 46 Ca 0.00 -1.10 -0.02 0.00 1.31 0.00 0.00 55.95 56.13 2kb3 s SER 46 Cb 0.00 -0.12 -0.03 0.00 0.21 0.00 0.00 66.02 66.08 2kb3 s SER 46 CO 0.00 -0.29 0.01 0.00 0.41 0.00 0.00 173.24 173.38 2kb3 s ALA 47 N -3.07 0.26 0.11 1.44 0.00 -1.26 -4.23 121.76 115.02 2kb3 s ALA 47 Ca 0.25 -0.92 0.10 0.00 0.00 0.00 0.00 51.96 51.39 2kb3 s ALA 47 Cb 0.02 0.27 -0.04 0.00 0.00 0.00 0.00 23.12 23.37 2kb3 s ALA 47 CO 0.08 -0.34 -0.25 -0.48 0.00 0.00 0.00 175.76 174.78 2kb3 s LEU 48 N -2.52 2.29 -0.13 0.00 -0.00 0.10 -1.00 118.68 117.42 2kb3 s LEU 48 Ca 0.01 -0.70 -0.01 0.00 -0.00 0.00 0.00 54.13 53.42 2kb3 s LEU 48 Cb 0.03 -1.13 -0.02 0.00 -0.00 0.00 0.00 46.19 45.07 2kb3 s LEU 48 CO -0.08 0.16 -0.08 -1.48 -0.00 0.00 0.00 176.35 174.88 2kb3 s LEU 49 N -1.88 3.05 -0.12 1.48 0.05 0.20 -0.59 118.68 120.88 2kb3 s LEU 49 Ca 0.11 -0.17 -0.02 0.00 0.05 0.00 0.00 54.13 54.10 2kb3 s LEU 49 Cb -0.10 -1.70 -0.03 0.00 -2.05 0.00 0.00 46.19 42.31 2kb3 s LEU 49 CO 0.05 0.21 -0.04 0.54 -0.55 0.00 0.00 176.35 176.56 2kb3 s VAL 50 N 0.09 3.92 -0.29 1.48 0.11 0.22 -0.38 120.40 125.55 2kb3 s VAL 50 Ca -0.03 -0.37 -0.23 0.00 -2.93 0.00 0.00 61.98 58.42 2kb3 s VAL 50 Cb -0.14 -2.67 -0.00 0.00 -1.53 0.00 0.00 36.38 32.03 2kb3 s VAL 50 CO 0.03 0.54 0.79 -0.69 -3.33 0.00 0.00 175.10 172.44 2kb3 s VAL 51 N -0.15 4.81 -0.10 2.04 1.01 -0.35 -0.71 120.40 126.95 2kb3 s VAL 51 Ca 0.03 1.26 0.13 0.00 0.00 0.00 0.00 61.98 63.39 2kb3 s VAL 51 Cb -0.13 -4.13 -0.24 0.00 0.00 0.00 0.00 36.38 31.89 2kb3 s VAL 51 CO 0.02 -0.20 0.43 0.29 0.00 0.00 0.00 175.10 175.65 2kb3 n LYS 52 N 6.14 0.66 -3.82 2.72 4.76 0.38 -0.36 118.16 128.64 2kb3 n LYS 52 Ca 0.04 0.20 -0.12 0.00 -2.87 0.00 0.00 58.31 55.55 2kb3 n LYS 52 Cb 0.48 -1.70 -0.12 0.00 -1.84 0.00 0.00 35.03 31.85 2kb3 n LYS 52 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 2kb3 s ARG 53 N -2.56 0.22 0.00 1.97 6.06 -1.20 -4.69 118.95 118.76 2kb3 s ARG 53 Ca -0.08 0.15 0.00 0.00 -2.50 0.00 0.00 55.73 53.30 2kb3 s ARG 53 Cb 0.07 0.11 0.00 0.00 0.06 0.00 0.00 34.95 35.19 2kb3 s ARG 53 CO 0.82 -0.03 0.00 0.41 -2.50 0.00 0.00 175.30 173.99 2kb3 n GLY 54 N 2.81 3.02 0.37 8.12 0.00 -1.26 -1.83 105.19 116.42 2kb3 n GLY 54 Ca -0.14 -1.93 0.19 0.00 0.00 0.00 0.00 46.02 44.14 2kb3 n GLY 54 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2kb3 h PRO 55 N 0.00 0.00 -0.58 1.61 0.11 -1.98 0.26 132.00 131.42 2kb3 h PRO 55 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2kb3 h PRO 55 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2kb3 h PRO 55 CO 0.00 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 177.88 2kb3 n ASN 56 N -4.33 3.00 -4.77 -2.05 3.02 -1.26 -4.96 115.26 103.91 2kb3 n ASN 56 Ca 0.08 -2.25 -0.39 0.00 -0.03 0.00 0.00 54.58 51.99 2kb3 n ASN 56 Cb 0.54 -0.44 0.00 0.00 -0.61 0.00 0.00 39.78 39.28 2kb3 n ASN 56 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2kb3 s ALA 57 N -1.70 3.22 0.00 5.41 0.00 0.08 -2.73 121.76 126.04 2kb3 s ALA 57 Ca 0.31 1.28 0.00 0.00 0.00 0.00 0.00 51.96 53.54 2kb3 s ALA 57 Cb 0.19 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.81 2kb3 s ALA 57 CO 0.15 -0.93 0.00 0.41 0.00 0.00 0.00 175.76 175.39 2kb3 n GLY 58 N 0.64 3.11 3.87 0.00 0.00 0.52 -4.98 105.19 108.34 2kb3 n GLY 58 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 2kb3 n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kb3 s ALA 59 N -2.82 3.56 -0.00 4.61 0.00 -1.11 -4.89 121.76 121.12 2kb3 s ALA 59 Ca 0.00 -0.24 0.07 0.00 0.00 0.00 0.00 51.96 51.79 2kb3 s ALA 59 Cb 0.00 -2.46 -0.02 0.00 0.00 0.00 0.00 23.12 20.64 2kb3 s ALA 59 CO 0.00 0.49 -0.21 -0.98 0.00 0.00 0.00 175.76 175.06 2kb3 s ARG 60 N -2.71 1.64 -0.14 0.00 1.04 -1.26 -1.21 118.95 116.31 2kb3 s ARG 60 Ca 0.46 -0.80 0.02 0.00 -1.04 0.00 0.00 55.73 54.38 2kb3 s ARG 60 Cb -0.12 -1.62 0.01 0.00 -2.04 0.00 0.00 34.95 31.18 2kb3 s ARG 60 CO 0.21 0.44 -0.21 -0.06 -0.04 0.00 0.00 175.30 175.64 2kb3 s PHE 61 N -0.56 2.68 -0.06 5.89 0.08 0.49 -4.96 117.98 121.54 2kb3 s PHE 61 Ca 0.08 -1.25 -0.15 0.00 0.12 0.00 0.00 56.93 55.73 2kb3 s PHE 61 Cb -0.08 -1.82 -0.05 0.00 -0.57 0.00 0.00 43.02 40.50 2kb3 s PHE 61 CO -0.00 -0.56 0.40 -1.17 -0.10 0.00 0.00 175.22 173.78 2kb3 s LEU 62 N 0.76 4.39 -0.51 -0.37 2.96 -1.26 -0.62 118.68 124.03 2kb3 s LEU 62 Ca -0.08 0.84 -0.19 0.00 -0.22 0.00 0.00 54.13 54.48 2kb3 s LEU 62 Cb -0.16 -2.56 0.07 0.00 0.50 0.00 0.00 46.19 44.04 2kb3 s LEU 62 CO -0.00 0.22 0.61 -0.76 -1.32 0.00 0.00 176.35 175.10 2kb3 s LEU 63 N -0.45 5.09 0.00 -0.68 1.43 -0.17 -4.73 118.68 119.17 2kb3 s LEU 63 Ca 0.23 -1.02 0.04 0.00 -1.03 0.00 0.00 54.13 52.34 2kb3 s LEU 63 Cb -0.16 -2.40 -0.04 0.00 0.03 0.00 0.00 46.19 43.62 2kb3 s LEU 63 CO 0.11 -0.90 0.17 0.47 0.23 0.00 0.00 176.35 176.43 2kb3 n ASP 64 N 6.10 0.21 -4.68 2.29 9.92 -1.26 -4.13 116.55 124.99 2kb3 n ASP 64 Ca -0.07 -0.60 -0.35 0.00 -0.53 0.00 0.00 54.79 53.23 2kb3 n ASP 64 Cb 0.45 0.98 -0.09 0.00 -0.64 0.00 0.00 41.12 41.81 2kb3 n ASP 64 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2kb3 s GLN 65 N -1.33 3.00 0.28 -1.24 0.00 -1.26 -5.00 119.66 114.11 2kb3 s GLN 65 Ca 0.02 -0.41 0.22 0.00 -0.00 0.00 0.00 55.36 55.18 2kb3 s GLN 65 Cb 0.03 -2.80 1.05 0.00 0.00 0.00 0.00 33.01 31.29 2kb3 s GLN 65 CO 0.15 0.70 1.66 -0.35 0.00 0.00 0.00 175.29 177.44 2kb3 n PRO 66 N 2.17 0.16 -3.70 9.60 -0.04 -1.26 -4.55 135.00 137.37 2kb3 n PRO 66 Ca -0.19 0.54 -0.12 0.00 -0.04 0.00 0.00 63.50 63.70 2kb3 n PRO 66 Cb 0.54 -1.90 -0.12 0.00 -0.04 0.00 0.00 33.50 31.97 2kb3 n PRO 66 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2kb3 s THR 67 N -3.43 -0.14 -0.21 0.52 2.01 -1.26 -0.31 115.64 112.82 2kb3 s THR 67 Ca 0.00 0.16 0.01 0.00 0.31 0.00 0.00 61.69 62.18 2kb3 s THR 67 Cb 0.07 -0.46 0.05 0.00 0.01 0.00 0.00 72.50 72.17 2kb3 s THR 67 CO 0.27 0.07 -0.10 -0.89 -0.69 0.00 0.00 174.62 173.28 2kb3 s THR 68 N 1.59 1.67 -0.01 -0.82 2.01 0.90 -5.00 115.64 115.97 2kb3 s THR 68 Ca -0.07 -1.09 -0.20 0.00 0.31 0.00 0.00 61.69 60.64 2kb3 s THR 68 Cb -0.10 -1.78 -0.05 0.00 0.01 0.00 0.00 72.50 70.58 2kb3 s THR 68 CO -0.10 0.11 0.57 -0.89 -0.69 0.00 0.00 174.62 173.63 2kb3 s THR 69 N 1.37 4.94 0.08 -0.82 2.01 -1.26 -0.13 115.64 121.83 2kb3 s THR 69 Ca -0.03 1.19 0.09 0.00 0.31 0.00 0.00 61.69 63.26 2kb3 s THR 69 Cb -0.17 -3.91 -0.03 0.00 0.01 0.00 0.00 72.50 68.40 2kb3 s THR 69 CO -0.08 0.42 -0.23 0.00 -0.69 0.00 0.00 174.62 174.04 2kb3 s ALA 70 N -0.18 2.44 0.00 7.40 0.00 0.55 -0.58 121.76 131.38 2kb3 s ALA 70 Ca 0.30 -1.32 0.00 0.00 0.00 0.00 0.00 51.96 50.94 2kb3 s ALA 70 Cb -0.18 -0.54 0.00 0.00 0.00 0.00 0.00 23.12 22.40 2kb3 s ALA 70 CO 0.16 0.55 0.00 0.41 0.00 0.00 0.00 175.76 176.89 2kb3 n GLY 71 N 1.33 0.64 3.21 0.00 0.00 -1.26 -0.78 105.19 108.33 2kb3 n GLY 71 Ca -0.17 -2.09 -0.34 0.00 0.00 0.00 0.00 46.02 43.42 2kb3 n GLY 71 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2kb3 s ARG 72 N -1.08 3.07 0.00 1.61 3.00 -1.16 -4.40 118.95 119.99 2kb3 s ARG 72 Ca 0.00 -0.81 0.00 0.00 -1.00 0.00 0.00 55.73 53.92 2kb3 s ARG 72 Cb 0.00 -2.86 0.00 0.00 0.00 0.00 0.00 34.95 32.09 2kb3 s ARG 72 CO 0.00 -0.27 0.00 -2.39 0.00 0.00 0.00 175.30 172.64 2kb3 n HIS 73 N 4.70 0.00 -0.33 5.12 1.44 -1.26 -4.48 115.22 120.41 2kb3 n HIS 73 Ca -0.18 0.00 0.23 0.00 -2.01 0.00 0.00 57.72 55.75 2kb3 n HIS 73 Cb 0.49 0.00 0.50 0.00 0.12 0.00 0.00 29.99 31.11 2kb3 n HIS 73 CO 0.00 0.00 0.00 -1.00 -2.81 0.00 0.00 176.34 172.53 2kb3 h PRO 74 N 0.00 0.39 -0.63 -1.40 0.13 -1.94 -1.19 132.00 127.36 2kb3 h PRO 74 Ca 0.00 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 2kb3 h PRO 74 Cb 0.00 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.04 2kb3 h PRO 74 CO 0.00 0.26 0.00 0.39 -0.23 0.00 0.00 178.00 178.42 2kb3 n GLU 75 N -4.65 2.68 -1.92 0.86 -0.58 -1.26 -4.88 120.64 110.90 2kb3 n GLU 75 Ca 0.26 -1.62 -0.43 0.00 -0.42 0.00 0.00 57.16 54.95 2kb3 n GLU 75 Cb 0.88 -1.69 -0.03 0.00 -0.57 0.00 0.00 31.44 30.04 2kb3 n GLU 75 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 2kb3 s SER 76 N -0.64 5.99 0.12 1.62 1.04 -0.45 -4.44 113.70 116.93 2kb3 s SER 76 Ca 0.29 1.65 -0.03 0.00 0.48 0.00 0.00 55.95 58.34 2kb3 s SER 76 Cb 0.19 -2.52 -0.15 0.00 0.10 0.00 0.00 66.02 63.64 2kb3 s SER 76 CO 0.12 -1.58 1.26 -0.78 0.98 0.00 0.00 173.24 173.25 2kb3 h ASP 77 N 12.53 0.42 -3.34 7.02 3.58 -1.18 -3.40 116.42 132.05 2kb3 h ASP 77 Ca -0.37 -0.38 -0.67 0.00 0.42 0.00 0.00 57.03 56.04 2kb3 h ASP 77 Cb 1.19 -0.13 -0.32 0.00 1.72 0.00 0.00 39.33 41.79 2kb3 h ASP 77 CO 1.00 1.22 -0.78 0.27 -2.88 0.00 0.00 179.24 178.07 2kb3 s ILE 78 N -3.02 2.73 -0.32 2.25 -4.36 -1.15 -4.96 121.20 112.37 2kb3 s ILE 78 Ca -0.04 -0.87 -0.16 0.00 -0.26 0.00 0.00 60.65 59.32 2kb3 s ILE 78 Cb 0.08 -2.28 -0.02 0.00 1.25 0.00 0.00 42.46 41.50 2kb3 s ILE 78 CO 0.86 0.37 0.43 0.12 0.24 0.00 0.00 174.94 176.96 2kb3 s PHE 79 N 1.35 3.21 -0.02 1.37 5.36 -1.26 -4.29 117.98 123.71 2kb3 s PHE 79 Ca 0.03 0.22 0.07 0.00 -0.96 0.00 0.00 56.93 56.29 2kb3 s PHE 79 Cb -0.15 -2.73 -0.02 0.00 -0.34 0.00 0.00 43.02 39.78 2kb3 s PHE 79 CO -0.07 -0.40 -0.22 -0.51 -1.46 0.00 0.00 175.22 172.57 2kb3 s LEU 80 N 2.18 2.04 -0.06 6.12 2.01 -1.26 -4.90 118.68 124.81 2kb3 s LEU 80 Ca 0.16 -0.40 -0.30 0.00 0.01 0.00 0.00 54.13 53.60 2kb3 s LEU 80 Cb -0.16 -1.13 -0.02 0.00 0.01 0.00 0.00 46.19 44.89 2kb3 s LEU 80 CO 0.11 0.27 1.01 1.51 1.01 0.00 0.00 176.35 180.26 2kb3 s ASP 81 N -0.51 7.28 0.40 2.29 -4.77 -1.26 -4.52 116.67 115.57 2kb3 s ASP 81 Ca 0.08 1.60 -0.24 0.00 -3.30 0.00 0.00 52.55 50.69 2kb3 s ASP 81 Cb -0.08 -2.56 -0.09 0.00 -1.09 0.00 0.00 42.92 39.09 2kb3 s ASP 81 CO -0.01 -0.39 1.03 1.51 0.70 0.00 0.00 175.17 178.02 2kb3 s ASP 82 N 1.08 6.81 -0.04 2.11 -4.77 -1.26 -4.97 116.67 115.63 2kb3 s ASP 82 Ca 0.50 2.00 -0.19 0.00 -3.30 0.00 0.00 52.55 51.56 2kb3 s ASP 82 Cb -0.20 -2.58 -0.32 0.00 -1.09 0.00 0.00 42.92 38.74 2kb3 s ASP 82 CO 0.22 -0.45 0.84 0.58 0.70 0.00 0.00 175.17 177.06 2kb3 h VAL 83 N 2.20 1.35 -3.66 2.11 2.07 -1.95 -3.47 116.25 114.90 2kb3 h VAL 83 Ca -0.48 -2.55 -0.29 0.00 0.82 0.00 0.00 66.70 64.20 2kb3 h VAL 83 Cb 1.21 3.06 -0.16 0.00 -1.52 0.00 0.00 31.29 33.88 2kb3 h VAL 83 CO 0.62 0.74 -0.72 -0.89 0.02 0.00 0.00 177.57 177.35 2kb3 s THR 84 N -2.48 0.92 -0.66 2.57 2.01 -1.26 -5.07 115.64 111.67 2kb3 s THR 84 Ca -0.14 -1.84 -0.26 0.00 0.31 0.00 0.00 61.69 59.76 2kb3 s THR 84 Cb 0.02 -1.58 -0.01 0.00 0.01 0.00 0.00 72.50 70.94 2kb3 s THR 84 CO 0.84 -0.71 1.75 -0.69 -0.69 0.00 0.00 174.62 175.12 2kb3 s VAL 85 N -3.04 3.44 -0.48 3.82 1.01 -1.26 -4.85 120.40 119.04 2kb3 s VAL 85 Ca 0.10 0.19 -0.12 0.00 0.00 0.00 0.00 61.98 62.16 2kb3 s VAL 85 Cb 0.01 -4.16 0.11 0.00 0.00 0.00 0.00 36.38 32.34 2kb3 s VAL 85 CO -0.01 -1.12 0.37 -0.44 0.00 0.00 0.00 175.10 173.90 2kb3 s SER 86 N 7.19 5.87 0.48 3.32 0.01 -1.26 -4.78 113.70 124.54 2kb3 s SER 86 Ca 0.61 -1.71 0.17 0.00 1.31 0.00 0.00 55.95 56.32 2kb3 s SER 86 Cb -0.11 -2.08 1.18 0.00 0.21 0.00 0.00 66.02 65.22 2kb3 s SER 86 CO 0.18 -0.70 2.04 0.08 0.41 0.00 0.00 173.24 175.25 2kb3 h ARG 87 N 8.59 0.20 -2.00 12.44 -0.00 -1.88 -3.08 114.38 128.65 2kb3 h ARG 87 Ca -0.25 -0.01 0.00 0.00 -0.00 0.00 0.00 59.98 59.73 2kb3 h ARG 87 Cb 1.09 -0.04 -0.21 0.00 -0.00 0.00 0.00 29.97 30.80 2kb3 h ARG 87 CO 0.89 0.13 0.05 0.50 -0.00 0.00 0.00 179.97 181.53 2kb3 s ARG 88 N -5.21 0.74 -0.24 0.08 3.52 -1.26 -4.52 118.95 112.06 2kb3 s ARG 88 Ca -0.06 1.17 -0.15 0.00 -0.13 0.00 0.00 55.73 56.55 2kb3 s ARG 88 Cb 0.19 0.21 -0.11 0.00 -1.56 0.00 0.00 34.95 33.68 2kb3 s ARG 88 CO 0.72 -0.14 -0.30 1.58 -0.81 0.00 0.00 175.30 176.36 2kb3 n HIS 89 N 3.91 0.13 -3.64 5.12 -0.00 0.04 -4.05 115.22 116.74 2kb3 n HIS 89 Ca -0.19 0.06 -0.10 0.00 -0.00 0.00 0.00 57.72 57.50 2kb3 n HIS 89 Cb 0.58 -0.88 -0.02 0.00 -0.00 0.00 0.00 29.99 29.67 2kb3 n HIS 89 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2kb3 s ALA 90 N -2.60 -1.36 -0.09 1.57 0.00 -1.03 -0.49 121.76 117.76 2kb3 s ALA 90 Ca -0.35 0.08 0.04 0.00 0.00 0.00 0.00 51.96 51.73 2kb3 s ALA 90 Cb 0.11 0.87 -0.00 0.00 0.00 0.00 0.00 23.12 24.10 2kb3 s ALA 90 CO 0.48 -0.88 -0.23 -1.21 0.00 0.00 0.00 175.76 173.91 2kb3 s GLU 91 N -3.83 2.82 -0.33 0.00 2.02 0.84 -0.33 118.70 119.89 2kb3 s GLU 91 Ca 0.06 -0.83 -0.09 0.00 0.02 0.00 0.00 54.97 54.13 2kb3 s GLU 91 Cb -0.03 -2.18 0.01 0.00 0.10 0.00 0.00 34.13 32.03 2kb3 s GLU 91 CO -0.04 0.20 0.15 -0.06 0.02 0.00 0.00 175.26 175.53 2kb3 s PHE 92 N 0.29 3.20 -0.03 1.61 0.40 0.82 -0.49 117.98 123.77 2kb3 s PHE 92 Ca -0.16 -0.84 0.03 0.00 -0.60 0.00 0.00 56.93 55.36 2kb3 s PHE 92 Cb -0.17 -2.35 -0.03 0.00 0.51 0.00 0.00 43.02 40.98 2kb3 s PHE 92 CO 0.08 -0.56 -0.10 1.03 0.70 0.00 0.00 175.22 176.37 2kb3 s ARG 93 N 1.55 2.56 -0.28 0.44 0.52 0.57 -0.07 118.95 124.24 2kb3 s ARG 93 Ca 0.03 -0.68 -0.03 0.00 -0.52 0.00 0.00 55.73 54.53 2kb3 s ARG 93 Cb -0.18 -2.47 0.03 0.00 0.52 0.00 0.00 34.95 32.86 2kb3 s ARG 93 CO 0.05 0.62 -0.01 0.42 0.02 0.00 0.00 175.30 176.41 2kb3 s ILE 94 N -0.85 3.12 -0.07 1.52 1.09 0.58 -0.21 121.20 126.37 2kb3 s ILE 94 Ca 0.14 -1.13 0.01 0.00 -1.10 0.00 0.00 60.65 58.56 2kb3 s ILE 94 Cb -0.11 -2.68 0.02 0.00 -1.06 0.00 0.00 42.46 38.63 2kb3 s ILE 94 CO 0.03 0.04 -0.07 0.54 -0.10 0.00 0.00 174.94 175.38 2kb3 s ASN 95 N 1.32 1.57 -1.45 3.58 4.22 0.82 -4.55 114.94 120.45 2kb3 s ASN 95 Ca -0.02 -0.22 -0.08 0.00 -2.14 0.00 0.00 52.86 50.40 2kb3 s ASN 95 Cb -0.18 -0.67 0.04 0.00 1.28 0.00 0.00 41.25 41.72 2kb3 s ASN 95 CO -0.02 -0.05 0.66 -0.62 -2.04 0.00 0.00 177.10 175.03 2kb3 n GLU 96 N 4.29 -4.74 -0.79 3.55 -0.58 -1.26 -0.42 120.64 120.69 2kb3 n GLU 96 Ca -0.20 0.73 0.00 0.00 -0.42 0.00 0.00 57.16 57.27 2kb3 n GLU 96 Cb 0.51 -5.56 0.00 0.00 -0.57 0.00 0.00 31.44 25.82 2kb3 n GLU 96 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2kb3 n GLY 97 N -1.47 1.38 3.78 0.62 0.00 -1.26 -5.02 105.19 103.23 2kb3 n GLY 97 Ca -0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 2kb3 n GLY 97 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kb3 s GLU 98 N -0.01 2.91 -0.16 1.61 2.02 0.44 -4.98 118.70 120.53 2kb3 s GLU 98 Ca 0.00 -0.69 -0.05 0.00 0.02 0.00 0.00 54.97 54.25 2kb3 s GLU 98 Cb 0.00 -2.74 -0.03 0.00 0.10 0.00 0.00 34.13 31.46 2kb3 s GLU 98 CO 0.00 0.56 0.01 -0.06 0.02 0.00 0.00 175.26 175.79 2kb3 s PHE 99 N -1.42 3.14 0.05 1.61 0.40 -1.26 -0.13 117.98 120.38 2kb3 s PHE 99 Ca 0.30 -0.06 0.05 0.00 -0.60 0.00 0.00 56.93 56.61 2kb3 s PHE 99 Cb -0.12 -1.98 -0.02 0.00 0.51 0.00 0.00 43.02 41.40 2kb3 s PHE 99 CO 0.22 0.13 -0.14 -1.83 0.70 0.00 0.00 175.22 174.30 2kb3 s GLU 100 N 0.16 0.88 -0.12 0.44 -1.05 0.70 -0.21 118.70 119.51 2kb3 s GLU 100 Ca 0.01 -0.82 0.01 0.00 -0.15 0.00 0.00 54.97 54.03 2kb3 s GLU 100 Cb -0.13 -0.89 0.02 0.00 -0.44 0.00 0.00 34.13 32.69 2kb3 s GLU 100 CO 0.02 0.21 -0.14 0.08 0.95 0.00 0.00 175.26 176.37 2kb3 s VAL 101 N -1.00 1.49 -0.17 1.83 1.01 0.68 -0.32 120.40 123.93 2kb3 s VAL 101 Ca 0.00 -0.61 0.01 0.00 0.00 0.00 0.00 61.98 61.38 2kb3 s VAL 101 Cb -0.09 -1.38 0.01 0.00 0.00 0.00 0.00 36.38 34.92 2kb3 s VAL 101 CO 0.02 0.44 -0.19 0.68 0.00 0.00 0.00 175.10 176.05 2kb3 s VAL 102 N 1.21 2.24 0.14 2.92 -7.23 0.36 -0.74 120.40 119.29 2kb3 s VAL 102 Ca -0.02 -0.90 -0.26 0.00 -1.81 0.00 0.00 61.98 58.99 2kb3 s VAL 102 Cb -0.14 -1.93 -0.07 0.00 0.56 0.00 0.00 36.38 34.80 2kb3 s VAL 102 CO -0.05 0.53 0.82 -0.62 -0.31 0.00 0.00 175.10 175.47 2kb3 s ASP 103 N 1.08 7.39 -0.02 4.85 -1.08 0.17 -0.11 116.67 128.95 2kb3 s ASP 103 Ca -0.00 1.65 0.03 0.00 -0.52 0.00 0.00 52.55 53.71 2kb3 s ASP 103 Cb -0.14 -2.52 0.05 0.00 -1.46 0.00 0.00 42.92 38.85 2kb3 s ASP 103 CO -0.07 0.12 0.89 1.33 0.52 0.00 0.00 175.17 177.96 2kb3 n VAL 104 N 2.06 0.78 0.00 1.11 0.24 0.36 -4.87 118.33 118.01 2kb3 n VAL 104 Ca -0.03 -0.84 0.00 0.00 -2.04 0.00 0.00 64.34 61.42 2kb3 n VAL 104 Cb 0.49 0.51 0.00 0.00 -1.47 0.00 0.00 33.84 33.37 2kb3 n VAL 104 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2kb3 n GLY 105 N -0.47 -2.08 1.25 7.63 0.00 -0.77 -4.86 105.19 105.88 2kb3 n GLY 105 Ca 0.03 1.00 0.00 0.00 0.00 0.00 0.00 46.02 47.05 2kb3 n GLY 105 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kb3 n SER 106 N 0.00 2.18 -0.23 1.61 7.64 -1.26 -4.19 113.62 119.37 2kb3 n SER 106 Ca 0.00 -1.37 -0.07 0.00 1.01 0.00 0.00 58.87 58.44 2kb3 n SER 106 Cb 0.00 -0.41 0.04 0.00 -1.01 0.00 0.00 64.21 62.83 2kb3 n SER 106 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2kb3 h LEU 107 N 2.14 0.86 -0.37 -3.43 6.46 -1.94 -1.16 115.31 117.87 2kb3 h LEU 107 Ca 0.00 -0.15 0.00 0.00 -0.12 0.00 0.00 57.88 57.61 2kb3 h LEU 107 Cb 0.57 -0.22 0.00 0.00 -0.73 0.00 0.00 40.66 40.28 2kb3 h LEU 107 CO 0.00 0.77 -0.13 -3.20 -0.62 0.00 0.00 178.44 175.26 2kb3 n ASN 108 N -4.46 0.70 -1.00 1.25 5.15 -1.26 -3.44 115.26 112.20 2kb3 n ASN 108 Ca 0.04 -0.77 0.00 0.00 -0.60 0.00 0.00 54.58 53.25 2kb3 n ASN 108 Cb 0.15 -0.01 0.00 0.00 -0.53 0.00 0.00 39.78 39.39 2kb3 n ASN 108 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2kb3 n GLY 109 N 1.27 -1.77 3.70 8.20 0.00 -0.44 -2.12 105.19 114.03 2kb3 n GLY 109 Ca 0.15 -0.40 -0.40 0.00 0.00 0.00 0.00 46.02 45.37 2kb3 n GLY 109 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kb3 s THR 110 N -0.08 5.04 0.00 2.61 2.01 -1.26 -1.98 115.64 121.98 2kb3 s THR 110 Ca 0.00 1.35 0.02 0.00 0.31 0.00 0.00 61.69 63.37 2kb3 s THR 110 Cb 0.00 -4.00 -0.01 0.00 0.01 0.00 0.00 72.50 68.50 2kb3 s THR 110 CO 0.00 0.20 -0.05 -0.31 -0.69 0.00 0.00 174.62 173.77 2kb3 s TYR 111 N 1.20 0.46 -0.19 4.92 2.02 -0.19 -3.11 117.35 122.46 2kb3 s TYR 111 Ca 0.34 -0.15 0.01 0.00 -0.37 0.00 0.00 57.07 56.90 2kb3 s TYR 111 Cb -0.17 -0.29 0.03 0.00 -0.40 0.00 0.00 41.96 41.13 2kb3 s TYR 111 CO 0.15 -0.02 -0.17 0.08 -1.57 0.00 0.00 175.55 174.01 2kb3 s VAL 112 N -0.33 2.01 -1.45 0.71 1.01 0.58 -0.07 120.40 122.85 2kb3 s VAL 112 Ca -0.00 -1.05 -0.10 0.00 0.00 0.00 0.00 61.98 60.82 2kb3 s VAL 112 Cb -0.03 -1.90 0.04 0.00 0.00 0.00 0.00 36.38 34.49 2kb3 s VAL 112 CO -0.00 0.39 0.95 0.59 0.00 0.00 0.00 175.10 177.03 2kb3 n ASN 113 N 4.60 -5.59 -0.42 3.32 4.13 0.13 -1.80 115.26 119.63 2kb3 n ASN 113 Ca -0.19 -0.56 -0.05 0.00 1.68 0.00 0.00 54.58 55.46 2kb3 n ASN 113 Cb 0.48 -4.45 -0.02 0.00 -1.54 0.00 0.00 39.78 34.25 2kb3 n ASN 113 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2kb3 n ARG 114 N -4.60 -1.58 -4.04 3.52 1.74 -1.26 -4.98 116.66 105.46 2kb3 n ARG 114 Ca -0.00 0.64 -0.34 0.00 -0.77 0.00 0.00 57.85 57.37 2kb3 n ARG 114 Cb 0.56 -4.93 -0.10 0.00 -1.02 0.00 0.00 32.46 26.97 2kb3 n ARG 114 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2kb3 s GLU 115 N -2.27 3.93 0.09 5.56 2.02 -0.75 -5.01 118.70 122.29 2kb3 s GLU 115 Ca 0.00 -0.35 -0.31 0.00 0.02 0.00 0.00 54.97 54.33 2kb3 s GLU 115 Cb 0.00 -3.19 -0.10 0.00 0.10 0.00 0.00 34.13 30.95 2kb3 s GLU 115 CO 0.00 0.29 1.89 -1.25 0.02 0.00 0.00 175.26 176.21 2kb3 s PRO 116 N 0.32 4.13 -0.03 0.39 0.04 -1.26 -0.30 135.00 138.29 2kb3 s PRO 116 Ca 0.03 2.62 -0.03 0.00 0.04 0.00 0.00 61.00 63.66 2kb3 s PRO 116 Cb -0.12 -3.81 0.01 0.00 0.04 0.00 0.00 34.50 30.61 2kb3 s PRO 116 CO 0.00 -0.89 0.08 0.50 0.04 0.00 0.00 177.00 176.73 2kb3 s ARG 117 N 3.41 0.10 -0.20 4.56 6.06 -1.18 -4.87 118.95 126.82 2kb3 s ARG 117 Ca 0.84 0.10 -0.07 0.00 -2.50 0.00 0.00 55.73 54.10 2kb3 s ARG 117 Cb -0.45 0.05 -0.10 0.00 0.06 0.00 0.00 34.95 34.51 2kb3 s ARG 117 CO 0.39 -0.01 -0.24 0.09 -2.50 0.00 0.00 175.30 173.03 2kb3 n ASN 118 N 3.02 1.76 -4.28 -2.12 4.13 -1.26 -4.57 115.26 111.95 2kb3 n ASN 118 Ca -0.12 0.15 -0.31 0.00 1.68 0.00 0.00 54.58 55.97 2kb3 n ASN 118 Cb 0.59 -0.52 -0.16 0.00 -1.54 0.00 0.00 39.78 38.15 2kb3 n ASN 118 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2kb3 s ALA 119 N -2.38 2.15 -0.07 5.41 0.00 -1.26 0.44 121.76 126.04 2kb3 s ALA 119 Ca -0.28 -1.06 -0.12 0.00 0.00 0.00 0.00 51.96 50.51 2kb3 s ALA 119 Cb 0.10 -0.64 0.03 0.00 0.00 0.00 0.00 23.12 22.61 2kb3 s ALA 119 CO 0.39 0.44 0.29 -1.14 0.00 0.00 0.00 175.76 175.74 2kb3 s GLN 120 N -0.27 0.46 -0.36 0.00 2.00 0.08 -5.00 119.66 116.57 2kb3 s GLN 120 Ca -0.00 0.17 -0.19 0.00 -2.00 0.00 0.00 55.36 53.33 2kb3 s GLN 120 Cb -0.13 0.21 0.00 0.00 0.80 0.00 0.00 33.01 33.90 2kb3 s GLN 120 CO 0.03 -0.09 0.57 0.08 -0.50 0.00 0.00 175.29 175.37 2kb3 s VAL 121 N -0.42 4.96 -0.11 1.34 1.01 -1.26 -0.23 120.40 125.68 2kb3 s VAL 121 Ca -0.05 0.42 -0.20 0.00 0.00 0.00 0.00 61.98 62.14 2kb3 s VAL 121 Cb -0.04 -4.02 -0.04 0.00 0.00 0.00 0.00 36.38 32.28 2kb3 s VAL 121 CO 0.02 -0.28 0.56 -0.32 0.00 0.00 0.00 175.10 175.08 2kb3 s MET 122 N 2.53 4.36 0.15 2.72 1.75 0.71 -4.96 119.30 126.56 2kb3 s MET 122 Ca 0.21 0.59 0.06 0.00 -1.25 0.00 0.00 55.69 55.30 2kb3 s MET 122 Cb -0.15 -3.45 -0.04 0.00 2.84 0.00 0.00 34.83 34.03 2kb3 s MET 122 CO 0.14 0.09 -0.13 -0.65 -0.65 0.00 0.00 175.02 173.82 2kb3 s GLN 123 N 0.79 1.12 0.26 4.11 -0.21 -1.26 -4.11 119.66 120.37 2kb3 s GLN 123 Ca 0.30 -1.40 -0.31 0.00 0.02 0.00 0.00 55.36 53.97 2kb3 s GLN 123 Cb -0.16 -0.89 -0.12 0.00 1.00 0.00 0.00 33.01 32.84 2kb3 s GLN 123 CO 0.13 0.15 1.60 -2.37 -2.12 0.00 0.00 175.29 172.68 2kb3 n THR 124 N 0.07 0.74 0.00 -0.19 5.66 -1.26 -1.73 114.28 117.56 2kb3 n THR 124 Ca -0.12 -0.19 0.00 0.00 -3.05 0.00 0.00 64.05 60.70 2kb3 n THR 124 Cb 0.59 -1.89 0.00 0.00 -1.55 0.00 0.00 70.33 67.48 2kb3 n THR 124 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2kb3 n GLY 125 N 2.62 0.29 3.81 1.09 0.00 0.68 -4.90 105.19 108.78 2kb3 n GLY 125 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 2kb3 n GLY 125 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kb3 s ASP 126 N -2.47 7.10 0.04 1.61 1.01 -0.71 -4.94 116.67 118.32 2kb3 s ASP 126 Ca 0.00 1.31 0.08 0.00 0.71 0.00 0.00 52.55 54.64 2kb3 s ASP 126 Cb 0.00 -2.37 -0.03 0.00 1.01 0.00 0.00 42.92 41.52 2kb3 s ASP 126 CO 0.00 0.27 -0.20 -1.83 0.21 0.00 0.00 175.17 173.62 2kb3 s GLU 127 N -1.13 2.00 -0.10 8.23 -1.05 -1.26 -1.25 118.70 124.15 2kb3 s GLU 127 Ca 0.30 -1.02 0.02 0.00 -0.15 0.00 0.00 54.97 54.12 2kb3 s GLU 127 Cb -0.20 -2.14 0.01 0.00 -0.44 0.00 0.00 34.13 31.37 2kb3 s GLU 127 CO 0.20 0.53 -0.16 0.42 0.95 0.00 0.00 175.26 177.20 2kb3 s ILE 128 N -0.90 1.53 -0.24 1.83 1.01 0.51 0.20 121.20 125.14 2kb3 s ILE 128 Ca 0.14 -0.68 -0.08 0.00 0.00 0.00 0.00 60.65 60.03 2kb3 s ILE 128 Cb -0.10 -1.37 -0.03 0.00 0.01 0.00 0.00 42.46 40.96 2kb3 s ILE 128 CO 0.05 0.44 0.08 -1.58 0.00 0.00 0.00 174.94 173.93 2kb3 s GLN 129 N 0.76 3.76 -0.36 2.79 0.74 0.89 -0.06 119.66 128.18 2kb3 s GLN 129 Ca -0.11 -0.43 0.01 0.00 0.05 0.00 0.00 55.36 54.87 2kb3 s GLN 129 Cb -0.16 -3.34 0.10 0.00 1.10 0.00 0.00 33.01 30.70 2kb3 s GLN 129 CO 0.02 -0.09 0.09 0.42 -0.55 0.00 0.00 175.29 175.18 2kb3 s ILE 130 N 1.38 2.74 0.00 -2.34 1.01 0.64 -1.02 121.20 123.61 2kb3 s ILE 130 Ca 0.05 -2.08 0.00 0.00 0.00 0.00 0.00 60.65 58.62 2kb3 s ILE 130 Cb -0.15 -2.89 0.00 0.00 0.01 0.00 0.00 42.46 39.44 2kb3 s ILE 130 CO 0.04 -0.54 0.00 0.61 0.00 0.00 0.00 174.94 175.05 2kb3 n GLY 131 N 4.44 1.61 0.52 6.18 0.00 -0.84 -0.31 105.19 116.79 2kb3 n GLY 131 Ca -0.01 0.39 0.12 0.00 0.00 0.00 0.00 46.02 46.52 2kb3 n GLY 131 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2kb3 n LYS 132 N 1.34 1.37 -3.59 1.61 2.85 -1.26 -4.86 118.16 115.62 2kb3 n LYS 132 Ca 0.00 -1.05 -0.38 0.00 -1.05 0.00 0.00 58.31 55.83 2kb3 n LYS 132 Cb 0.00 -1.48 -0.06 0.00 -0.65 0.00 0.00 35.03 32.84 2kb3 n LYS 132 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 2kb3 s PHE 133 N -2.35 3.68 -0.15 5.58 0.40 0.58 -4.19 117.98 121.52 2kb3 s PHE 133 Ca 0.23 0.85 0.00 0.00 -0.60 0.00 0.00 56.93 57.42 2kb3 s PHE 133 Cb 0.19 -2.21 0.02 0.00 0.51 0.00 0.00 43.02 41.53 2kb3 s PHE 133 CO 0.49 0.63 -0.13 0.50 0.70 0.00 0.00 175.22 177.41 2kb3 s ARG 134 N -0.93 2.22 -0.08 0.44 3.52 -0.76 -0.26 118.95 123.09 2kb3 s ARG 134 Ca 0.21 -0.57 0.00 0.00 -0.13 0.00 0.00 55.73 55.24 2kb3 s ARG 134 Cb -0.15 -2.11 -0.03 0.00 -1.56 0.00 0.00 34.95 31.10 2kb3 s ARG 134 CO 0.10 -0.26 -0.06 -0.51 -0.81 0.00 0.00 175.30 173.76 2kb3 s LEU 135 N 1.49 3.19 -0.18 -0.88 1.43 0.92 -0.47 118.68 124.18 2kb3 s LEU 135 Ca 0.04 -0.03 0.01 0.00 -1.03 0.00 0.00 54.13 53.12 2kb3 s LEU 135 Cb -0.13 -1.70 0.01 0.00 0.03 0.00 0.00 46.19 44.40 2kb3 s LEU 135 CO -0.10 0.34 -0.18 -0.69 0.23 0.00 0.00 176.35 175.94 2kb3 s VAL 136 N -0.66 2.23 -0.31 -1.59 1.01 0.12 -0.37 120.40 120.84 2kb3 s VAL 136 Ca 0.10 -0.89 -0.14 0.00 0.00 0.00 0.00 61.98 61.05 2kb3 s VAL 136 Cb -0.11 -1.94 -0.03 0.00 0.00 0.00 0.00 36.38 34.29 2kb3 s VAL 136 CO 0.02 0.53 0.34 0.12 0.00 0.00 0.00 175.10 176.10 2kb3 s PHE 137 N 1.25 3.22 0.02 5.22 5.36 -0.38 -0.61 117.98 132.06 2kb3 s PHE 137 Ca 0.04 0.15 0.03 0.00 -0.96 0.00 0.00 56.93 56.19 2kb3 s PHE 137 Cb -0.13 -2.59 -0.01 0.00 -0.34 0.00 0.00 43.02 39.95 2kb3 s PHE 137 CO -0.10 -0.31 -0.10 -0.51 -1.46 0.00 0.00 175.22 172.74 2kb3 s LEU 138 N 1.99 2.11 -0.28 6.12 1.43 0.24 -0.23 118.68 130.06 2kb3 s LEU 138 Ca 0.12 -0.32 -0.12 0.00 -1.03 0.00 0.00 54.13 52.78 2kb3 s LEU 138 Cb -0.16 -0.42 -0.05 0.00 0.03 0.00 0.00 46.19 45.59 2kb3 s LEU 138 CO 0.11 0.02 0.21 0.00 0.23 0.00 0.00 176.35 176.92 2kb3 s ALA 139 N -0.63 3.53 0.24 4.21 0.00 -1.26 -0.73 121.76 127.12 2kb3 s ALA 139 Ca -0.00 -1.07 -0.21 0.00 0.00 0.00 0.00 51.96 50.68 2kb3 s ALA 139 Cb -0.06 -2.52 0.06 0.00 0.00 0.00 0.00 23.12 20.60 2kb3 s ALA 139 CO 0.00 -0.58 0.90 0.20 0.00 0.00 0.00 175.76 176.29 2kb3 s GLY 140 N 1.74 0.02 0.33 0.00 0.00 -1.26 -4.50 107.32 103.66 2kb3 s GLY 140 Ca 0.08 -0.28 -0.28 0.00 0.00 0.00 0.00 44.72 44.24 2kb3 s GLY 140 CO 0.11 0.58 1.17 -4.14 0.00 0.00 0.00 173.10 170.81 2kb3 s PRO 141 N -2.86 4.41 0.00 2.90 0.02 -1.26 -4.57 135.00 133.64 2kb3 s PRO 141 Ca 0.15 1.91 0.00 0.00 0.02 0.00 0.00 61.00 63.08 2kb3 s PRO 141 Cb -0.03 -3.01 0.00 0.00 0.02 0.00 0.00 34.50 31.48 2kb3 s PRO 141 CO 0.06 -0.03 0.77 0.00 -0.33 0.00 0.00 177.00 177.46 2kb3 n ALA 142 N 0.77 2.86 1.76 -1.55 0.00 -1.26 -5.10 120.51 117.98 2kb3 n ALA 142 Ca 0.01 -0.42 0.15 0.00 0.00 0.00 0.00 53.44 53.17 2kb3 n ALA 142 Cb 0.45 -0.22 0.74 0.00 0.00 0.00 0.00 19.45 20.42 2kb3 n ALA 142 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89