#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kb4 h SER 2 N 0.00 0.47 -3.22 3.17 4.64 -2.05 -3.38 113.55 113.18 2kb4 h SER 2 Ca 0.00 -0.30 -0.54 0.00 -0.47 0.00 0.00 61.79 60.48 2kb4 h SER 2 Cb 0.00 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 61.93 2kb4 h SER 2 CO 0.00 1.04 -0.19 -1.81 -0.87 0.00 0.00 176.83 175.00 2kb4 s ASP 3 N -6.96 6.49 0.00 4.97 1.01 -1.26 -4.11 116.67 116.81 2kb4 s ASP 3 Ca -0.06 0.71 0.00 0.00 0.71 0.00 0.00 52.55 53.91 2kb4 s ASP 3 Cb 0.11 -2.14 0.00 0.00 1.01 0.00 0.00 42.92 41.90 2kb4 s ASP 3 CO 0.84 -0.10 0.00 0.59 0.21 0.00 0.00 175.17 176.71 2kb4 n ASN 4 N -0.50 0.00 0.20 0.27 4.13 -1.26 -4.53 115.26 113.57 2kb4 n ASN 4 Ca -0.02 0.00 0.08 0.00 1.68 0.00 0.00 54.58 56.33 2kb4 n ASN 4 Cb 0.53 0.00 0.28 0.00 -1.54 0.00 0.00 39.78 39.05 2kb4 n ASN 4 CO 0.00 0.00 0.00 -1.13 0.28 0.00 0.00 177.26 176.41 2kb4 h ASN 5 N 0.00 0.00 -0.78 6.41 -1.24 -1.77 -3.14 115.58 115.06 2kb4 h ASN 5 Ca 0.00 0.00 -0.28 0.00 0.71 0.00 0.00 56.30 56.73 2kb4 h ASN 5 Cb 0.00 0.00 -0.17 0.00 0.73 0.00 0.00 38.32 38.88 2kb4 h ASN 5 CO 0.00 0.27 0.36 0.61 -1.29 0.00 0.00 177.43 177.38 2kb4 n GLY 6 N 0.67 3.76 3.66 1.57 0.00 -1.26 -4.89 105.19 108.70 2kb4 n GLY 6 Ca 0.01 -0.97 -0.41 0.00 0.00 0.00 0.00 46.02 44.66 2kb4 n GLY 6 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kb4 s THR 7 N -2.95 4.96 0.07 2.61 2.01 -1.19 -5.03 115.64 116.14 2kb4 s THR 7 Ca 0.53 1.36 -0.31 0.00 0.31 0.00 0.00 61.69 63.59 2kb4 s THR 7 Cb 0.43 -4.02 -0.07 0.00 0.01 0.00 0.00 72.50 68.85 2kb4 s THR 7 CO 0.12 0.08 1.46 -2.16 -0.69 0.00 0.00 174.62 173.44 2kb4 s PRO 8 N 2.01 4.27 -0.12 4.92 0.04 -1.26 -5.02 135.00 139.84 2kb4 s PRO 8 Ca 0.32 2.12 -0.07 0.00 0.04 0.00 0.00 61.00 63.42 2kb4 s PRO 8 Cb -0.16 -3.41 -0.04 0.00 0.04 0.00 0.00 34.50 30.93 2kb4 s PRO 8 CO 0.11 -0.56 0.12 -1.83 0.04 0.00 0.00 177.00 174.88 2kb4 s GLU 9 N 1.82 3.44 -0.22 4.56 -1.05 -1.26 -5.04 118.70 120.95 2kb4 s GLU 9 Ca 0.67 -0.17 -0.29 0.00 -0.15 0.00 0.00 54.97 55.02 2kb4 s GLU 9 Cb -0.36 -3.16 -0.01 0.00 -0.44 0.00 0.00 34.13 30.16 2kb4 s GLU 9 CO 0.30 0.73 1.28 -2.14 0.95 0.00 0.00 175.26 176.37 2kb4 s PRO 10 N -0.89 4.11 0.95 -4.83 0.02 -1.26 -5.01 135.00 128.08 2kb4 s PRO 10 Ca 0.14 1.50 -0.14 0.00 0.02 0.00 0.00 61.00 62.51 2kb4 s PRO 10 Cb -0.12 -3.81 0.17 0.00 0.02 0.00 0.00 34.50 30.76 2kb4 s PRO 10 CO 0.03 -0.87 1.20 -0.65 -0.33 0.00 0.00 177.00 176.38 2kb4 s GLN 11 N 3.77 0.79 -0.39 5.54 -1.52 -1.26 -4.58 119.66 122.01 2kb4 s GLN 11 Ca 0.55 -0.02 -0.13 0.00 -1.95 0.00 0.00 55.36 53.80 2kb4 s GLN 11 Cb -0.20 -1.83 0.02 0.00 -0.22 0.00 0.00 33.01 30.78 2kb4 s GLN 11 CO 0.18 -2.37 0.50 0.28 -0.25 0.00 0.00 175.29 173.63 2kb4 n VAL 12 N -3.83-10.69 -2.46 1.09 0.31 -1.26 -4.92 118.33 96.57 2kb4 n VAL 12 Ca 0.11 0.94 -0.42 0.00 -0.01 0.00 0.00 64.34 64.96 2kb4 n VAL 12 Cb 0.60 -7.08 -0.03 0.00 -0.91 0.00 0.00 33.84 26.41 2kb4 n VAL 12 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 2kb4 s GLU 13 N -2.41 4.49 -0.25 5.55 -1.05 -1.26 -5.00 118.70 118.77 2kb4 s GLU 13 Ca 0.21 1.75 0.01 0.00 -0.15 0.00 0.00 54.97 56.79 2kb4 s GLU 13 Cb -0.06 -3.32 0.07 0.00 -0.44 0.00 0.00 34.13 30.38 2kb4 s GLU 13 CO 0.73 -0.13 -0.05 -0.08 0.95 0.00 0.00 175.26 176.68 2kb4 s THR 14 N 0.55 1.71 -0.83 1.83 -1.32 -1.26 -4.88 115.64 111.44 2kb4 s THR 14 Ca 0.55 -1.42 0.08 0.00 -1.21 0.00 0.00 61.69 59.70 2kb4 s THR 14 Cb -0.29 -1.97 0.01 0.00 -1.51 0.00 0.00 72.50 68.74 2kb4 s THR 14 CO 0.32 -0.15 0.61 1.07 -2.21 0.00 0.00 174.62 174.26 2kb4 n THR 15 N 4.59 0.00 -0.73 5.08 5.66 -1.26 -4.54 114.28 123.08 2kb4 n THR 15 Ca -0.11 -0.43 -0.18 0.00 -3.05 0.00 0.00 64.05 60.28 2kb4 n THR 15 Cb 0.43 1.11 0.07 0.00 -1.55 0.00 0.00 70.33 70.40 2kb4 n THR 15 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 2kb4 n SER 16 N -0.14 5.41 -4.77 1.09 3.41 -1.26 -4.94 113.62 112.42 2kb4 n SER 16 Ca 0.04 -3.13 -0.31 0.00 -0.26 0.00 0.00 58.87 55.20 2kb4 n SER 16 Cb 0.18 -0.90 0.08 0.00 -0.26 0.00 0.00 64.21 63.31 2kb4 n SER 16 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 2kb4 s VAL 17 N -2.53 3.38 0.25 -3.33 -7.23 -1.26 -5.06 120.40 104.62 2kb4 s VAL 17 Ca 0.37 0.49 0.01 0.00 -1.81 0.00 0.00 61.98 61.04 2kb4 s VAL 17 Cb 0.30 -3.01 -0.05 0.00 0.56 0.00 0.00 36.38 34.19 2kb4 s VAL 17 CO 0.02 -0.55 0.11 0.72 -0.31 0.00 0.00 175.10 175.10 2kb4 s PHE 18 N -2.79 1.45 0.02 2.82 -0.71 -1.26 -5.12 117.98 112.40 2kb4 s PHE 18 Ca 0.62 -1.26 -0.30 0.00 -1.04 0.00 0.00 56.93 54.95 2kb4 s PHE 18 Cb -0.18 -0.81 -0.04 0.00 -1.21 0.00 0.00 43.02 40.79 2kb4 s PHE 18 CO 0.52 -0.44 1.06 1.03 -1.34 0.00 0.00 175.22 176.05 2kb4 s ARG 19 N -4.03 4.51 -0.81 1.99 3.00 -1.26 -4.95 118.95 117.40 2kb4 s ARG 19 Ca 0.38 1.54 -0.26 0.00 0.00 0.00 0.00 55.73 57.39 2kb4 s ARG 19 Cb 0.07 -3.42 0.03 0.00 0.00 0.00 0.00 34.95 31.63 2kb4 s ARG 19 CO 0.14 -0.13 1.33 0.00 0.00 0.00 0.00 175.30 176.65 2kb4 s ALA 20 N 1.06 2.73 -0.30 2.13 0.00 -1.26 -4.76 121.76 121.36 2kb4 s ALA 20 Ca 0.54 -1.60 0.20 0.00 0.00 0.00 0.00 51.96 51.10 2kb4 s ALA 20 Cb -0.24 -4.33 0.18 0.00 0.00 0.00 0.00 23.12 18.73 2kb4 s ALA 20 CO 0.28 -3.39 1.46 -0.44 0.00 0.00 0.00 175.76 173.67 2kb4 h ASP 21 N 10.03 0.00 -3.74 0.00 3.32 -2.08 -3.49 116.42 120.47 2kb4 h ASP 21 Ca -0.15 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.90 2kb4 h ASP 21 Cb 1.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.59 2kb4 h ASP 21 CO 1.32 0.21 -0.31 -0.11 -1.72 0.00 0.00 179.24 178.64 2kb4 n LEU 22 N -3.10 -4.06 -4.67 1.55 7.94 -1.26 -5.01 117.00 108.39 2kb4 n LEU 22 Ca 0.02 0.43 -0.41 0.00 -1.11 0.00 0.00 56.01 54.95 2kb4 n LEU 22 Cb 0.62 -1.81 -0.05 0.00 0.53 0.00 0.00 43.42 42.71 2kb4 n LEU 22 CO 0.37 -1.05 0.49 -1.48 -1.11 0.00 0.00 177.39 174.62 2kb4 s LEU 23 N -0.75 4.17 -0.41 -1.96 2.34 -1.26 -5.02 118.68 115.79 2kb4 s LEU 23 Ca 0.02 1.03 -0.15 0.00 0.06 0.00 0.00 54.13 55.09 2kb4 s LEU 23 Cb -0.00 -3.08 0.02 0.00 -0.56 0.00 0.00 46.19 42.57 2kb4 s LEU 23 CO 0.27 -0.32 0.29 -0.54 -1.06 0.00 0.00 176.35 174.98 2kb4 s LYS 24 N 1.95 2.96 0.39 1.48 1.02 -1.26 -5.06 119.74 121.23 2kb4 s LYS 24 Ca 0.34 -1.02 -0.23 0.00 0.02 0.00 0.00 55.97 55.08 2kb4 s LYS 24 Cb -0.16 -3.95 -0.10 0.00 -0.52 0.00 0.00 37.83 33.10 2kb4 s LYS 24 CO 0.12 -0.74 0.97 -1.21 -0.92 0.00 0.00 175.35 173.57 2kb4 s GLU 25 N 1.67 4.31 0.21 1.68 0.41 -1.26 -5.04 118.70 120.68 2kb4 s GLU 25 Ca 0.05 1.28 -0.19 0.00 -0.41 0.00 0.00 54.97 55.69 2kb4 s GLU 25 Cb -0.19 -2.45 0.07 0.00 -1.78 0.00 0.00 34.13 29.78 2kb4 s GLU 25 CO 0.10 0.03 0.92 0.00 -0.49 0.00 0.00 175.26 175.81 2kb4 n MET 26 N -0.16 0.70 -3.92 1.61 0.00 -1.26 -5.18 117.12 108.91 2kb4 n MET 26 Ca 0.05 -1.53 -0.10 0.00 0.00 0.00 0.00 57.70 56.12 2kb4 n MET 26 Cb 0.52 2.03 -0.10 0.00 0.00 0.00 0.00 33.22 35.67 2kb4 n MET 26 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 175.97 173.97 2kb4 s GLU 27 N -2.06 0.51 0.00 3.17 2.56 -1.26 -5.05 118.70 116.57 2kb4 s GLU 27 Ca 0.20 -0.62 0.00 0.00 0.00 0.00 0.00 54.97 54.55 2kb4 s GLU 27 Cb -0.03 0.20 0.00 0.00 2.00 0.00 0.00 34.13 36.30 2kb4 s GLU 27 CO 0.06 -0.12 0.00 0.45 -0.56 0.00 0.00 175.26 175.09 2kb4 n SER 28 N 1.11 1.69 -4.81 -1.70 2.88 -1.26 -5.07 113.62 106.47 2kb4 n SER 28 Ca -0.21 0.00 -0.39 0.00 -1.33 0.00 0.00 58.87 56.94 2kb4 n SER 28 Cb 0.57 0.16 -0.06 0.00 -0.75 0.00 0.00 64.21 64.13 2kb4 n SER 28 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2kb4 s SER 29 N -1.76 7.08 -0.40 -3.46 0.01 -1.26 -4.99 113.70 108.92 2kb4 s SER 29 Ca 0.00 1.29 -0.28 0.00 1.31 0.00 0.00 55.95 58.27 2kb4 s SER 29 Cb 0.00 -2.37 -0.02 0.00 0.21 0.00 0.00 66.02 63.84 2kb4 s SER 29 CO 0.00 0.26 1.86 0.42 0.41 0.00 0.00 173.24 176.19 2kb4 s THR 30 N -1.13 3.41 -0.35 1.44 -4.23 -1.26 -4.85 115.64 108.66 2kb4 s THR 30 Ca 0.30 0.37 0.15 0.00 -1.18 0.00 0.00 61.69 61.33 2kb4 s THR 30 Cb -0.20 -3.66 0.44 0.00 1.34 0.00 0.00 72.50 70.42 2kb4 s THR 30 CO 0.20 -0.50 0.95 0.61 -0.54 0.00 0.00 174.62 175.34 2kb4 n GLY 31 N 5.53 2.62 3.78 3.99 0.00 -1.26 -5.06 105.19 114.78 2kb4 n GLY 31 Ca 0.23 -1.62 -0.39 0.00 0.00 0.00 0.00 46.02 44.24 2kb4 n GLY 31 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kb4 s THR 32 N -3.49 4.53 -0.14 2.61 2.01 -1.26 -4.97 115.64 114.94 2kb4 s THR 32 Ca 0.33 1.55 -0.32 0.00 0.31 0.00 0.00 61.69 63.56 2kb4 s THR 32 Cb 0.43 -4.07 -0.10 0.00 0.01 0.00 0.00 72.50 68.78 2kb4 s THR 32 CO -0.02 0.50 2.03 0.00 -0.69 0.00 0.00 174.62 176.45 2kb4 n ALA 33 N 1.85 1.26 -1.85 7.40 0.00 -1.26 -4.85 120.51 123.06 2kb4 n ALA 33 Ca -0.06 0.09 -0.43 0.00 0.00 0.00 0.00 53.44 53.04 2kb4 n ALA 33 Cb 0.49 -2.65 -0.03 0.00 0.00 0.00 0.00 19.45 17.27 2kb4 n ALA 33 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2kb4 s PRO 34 N 5.05 3.79 -0.48 0.00 0.04 -1.26 -4.93 135.00 137.21 2kb4 s PRO 34 Ca 0.97 2.10 -0.29 0.00 0.04 0.00 0.00 61.00 63.82 2kb4 s PRO 34 Cb -0.58 -4.15 0.02 0.00 0.04 0.00 0.00 34.50 29.83 2kb4 s PRO 34 CO 0.46 -1.33 1.27 0.00 0.04 0.00 0.00 177.00 177.43 2kb4 s ALA 35 N 5.57 3.06 -0.12 8.56 0.00 -1.26 -4.35 121.76 133.23 2kb4 s ALA 35 Ca 0.84 -0.44 -0.08 0.00 0.00 0.00 0.00 51.96 52.28 2kb4 s ALA 35 Cb -0.33 -3.95 0.03 0.00 0.00 0.00 0.00 23.12 18.86 2kb4 s ALA 35 CO 0.34 -2.44 0.16 0.43 0.00 0.00 0.00 175.76 174.25 2kb4 n SER 36 N 8.45 -0.91 -4.58 0.00 7.64 -1.26 -4.74 113.62 118.22 2kb4 n SER 36 Ca 0.13 0.84 -0.43 0.00 1.01 0.00 0.00 58.87 60.42 2kb4 n SER 36 Cb 0.49 -3.65 -0.00 0.00 -1.01 0.00 0.00 64.21 60.03 2kb4 n SER 36 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2kb4 s THR 37 N -0.41 4.09 0.00 0.44 2.01 -1.26 -3.93 115.64 116.57 2kb4 s THR 37 Ca -0.18 -1.74 0.00 0.00 0.31 0.00 0.00 61.69 60.07 2kb4 s THR 37 Cb 0.01 -5.17 0.00 0.00 0.01 0.00 0.00 72.50 67.35 2kb4 s THR 37 CO 0.49 -2.01 0.00 0.61 -0.69 0.00 0.00 174.62 173.02 2kb4 n GLY 38 N 5.62 4.59 0.28 4.40 0.00 -1.26 -4.95 105.19 113.87 2kb4 n GLY 38 Ca 0.47 -0.48 0.04 0.00 0.00 0.00 0.00 46.02 46.04 2kb4 n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kb4 h ALA 39 N 1.50 1.71 0.00 4.61 0.00 -1.91 -0.25 119.26 124.93 2kb4 h ALA 39 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2kb4 h ALA 39 Cb 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.68 2kb4 h ALA 39 CO 0.00 0.24 -0.14 -0.85 0.00 0.00 0.00 179.25 178.50 2kb4 n GLU 40 N -4.44 0.15 -0.01 0.00 0.00 -1.26 -3.44 120.64 111.64 2kb4 n GLU 40 Ca 0.01 0.10 -0.20 0.00 0.00 0.00 0.00 57.16 57.07 2kb4 n GLU 40 Cb 0.12 -1.65 -0.14 0.00 0.00 0.00 0.00 31.44 29.77 2kb4 n GLU 40 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.13 176.16 2kb4 h ASN 41 N 0.00 0.29 -4.28 -1.84 -0.00 -1.19 -3.47 115.58 105.10 2kb4 h ASN 41 Ca 0.00 -0.86 -0.51 0.00 -0.00 0.00 0.00 56.30 54.93 2kb4 h ASN 41 Cb 0.63 -0.10 0.10 0.00 -0.00 0.00 0.00 38.32 38.95 2kb4 h ASN 41 CO 0.00 1.43 0.36 -0.76 -0.00 0.00 0.00 177.43 178.46 2kb4 s LEU 42 N -7.80 3.24 0.82 0.34 1.02 -0.77 -4.82 118.68 110.72 2kb4 s LEU 42 Ca -0.19 1.77 -0.08 0.00 0.02 0.00 0.00 54.13 55.65 2kb4 s LEU 42 Cb 0.02 -4.52 0.15 0.00 0.02 0.00 0.00 46.19 41.86 2kb4 s LEU 42 CO 0.75 -1.54 1.14 -2.16 0.02 0.00 0.00 176.35 174.56 2kb4 s PRO 43 N -4.62 1.32 -0.29 1.29 0.04 -1.26 -4.73 135.00 126.75 2kb4 s PRO 43 Ca 0.61 -0.67 -0.01 0.00 0.04 0.00 0.00 61.00 60.97 2kb4 s PRO 43 Cb -0.16 -2.10 0.05 0.00 0.04 0.00 0.00 34.50 32.33 2kb4 s PRO 43 CO 0.49 -1.83 -0.02 0.00 0.04 0.00 0.00 177.00 175.68 2kb4 s ALA 44 N -3.48 2.78 0.00 8.56 0.00 -1.21 -4.82 121.76 123.59 2kb4 s ALA 44 Ca 0.69 -1.78 0.00 0.00 0.00 0.00 0.00 51.96 50.87 2kb4 s ALA 44 Cb -0.06 -1.88 0.00 0.00 0.00 0.00 0.00 23.12 21.18 2kb4 s ALA 44 CO 0.48 -1.27 0.00 0.41 0.00 0.00 0.00 175.76 175.38 2kb4 n GLY 45 N 4.59 1.79 3.58 0.00 0.00 -1.26 -4.88 105.19 109.01 2kb4 n GLY 45 Ca -0.13 -0.16 -0.27 0.00 0.00 0.00 0.00 46.02 45.46 2kb4 n GLY 45 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kb4 s SER 46 N 0.00 4.34 0.26 1.61 0.01 -1.26 -4.84 113.70 113.82 2kb4 s SER 46 Ca 0.00 -0.52 0.02 0.00 1.31 0.00 0.00 55.95 56.75 2kb4 s SER 46 Cb 0.00 -0.78 -0.03 0.00 0.21 0.00 0.00 66.02 65.42 2kb4 s SER 46 CO 0.00 0.11 0.22 0.00 0.41 0.00 0.00 173.24 173.98 2kb4 s ALA 47 N -1.63 1.37 0.11 1.44 0.00 -0.34 -4.42 121.76 118.28 2kb4 s ALA 47 Ca 0.25 -1.81 0.02 0.00 0.00 0.00 0.00 51.96 50.42 2kb4 s ALA 47 Cb -0.09 1.40 -0.04 0.00 0.00 0.00 0.00 23.12 24.39 2kb4 s ALA 47 CO 0.15 -0.64 -0.07 -0.48 0.00 0.00 0.00 175.76 174.73 2kb4 s LEU 48 N -3.24 2.50 0.03 0.00 0.05 -1.08 -0.10 118.68 116.84 2kb4 s LEU 48 Ca 0.39 -1.01 0.01 0.00 0.05 0.00 0.00 54.13 53.57 2kb4 s LEU 48 Cb 0.05 -0.10 -0.02 0.00 -2.05 0.00 0.00 46.19 44.06 2kb4 s LEU 48 CO 0.18 -0.45 -0.06 -1.48 -0.55 0.00 0.00 176.35 174.00 2kb4 s LEU 49 N -3.06 2.23 0.00 1.48 0.05 -0.11 -0.51 118.68 118.76 2kb4 s LEU 49 Ca 0.13 -0.49 0.08 0.00 0.05 0.00 0.00 54.13 53.89 2kb4 s LEU 49 Cb 0.05 -0.06 -0.02 0.00 -2.05 0.00 0.00 46.19 44.11 2kb4 s LEU 49 CO -0.04 -0.23 -0.24 0.68 -0.55 0.00 0.00 176.35 175.97 2kb4 s VAL 50 N -1.32 1.94 -0.32 1.48 -7.23 0.60 -0.50 120.40 115.06 2kb4 s VAL 50 Ca -0.12 -1.14 -0.18 0.00 -1.81 0.00 0.00 61.98 58.73 2kb4 s VAL 50 Cb -0.09 -1.63 -0.01 0.00 0.56 0.00 0.00 36.38 35.20 2kb4 s VAL 50 CO -0.00 0.47 0.53 -0.69 -0.31 0.00 0.00 175.10 175.09 2kb4 s VAL 51 N -0.65 5.02 -0.22 1.32 1.01 0.53 -0.15 120.40 127.26 2kb4 s VAL 51 Ca 0.10 0.57 0.23 0.00 0.00 0.00 0.00 61.98 62.87 2kb4 s VAL 51 Cb -0.09 -3.93 0.26 0.00 0.00 0.00 0.00 36.38 32.62 2kb4 s VAL 51 CO 0.00 -0.11 1.65 0.50 0.00 0.00 0.00 175.10 177.13 2kb4 h LYS 52 N 8.30 0.00 0.00 2.72 3.64 -1.20 -3.39 116.57 126.64 2kb4 h LYS 52 Ca -0.28 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.10 2kb4 h LYS 52 Cb 1.13 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 2kb4 h LYS 52 CO 0.76 0.16 0.00 -2.13 -2.27 0.00 0.00 179.45 175.96 2kb4 n ARG 53 N -3.17 0.00 0.00 1.90 0.63 -0.24 -4.91 116.66 110.88 2kb4 n ARG 53 Ca 0.03 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.96 2kb4 n ARG 53 Cb 0.54 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.45 2kb4 n ARG 53 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2kb4 n GLY 54 N -0.06 1.40 0.00 5.14 0.00 -1.26 -1.19 105.19 109.21 2kb4 n GLY 54 Ca 0.00 -0.43 0.07 0.00 0.00 0.00 0.00 46.02 45.66 2kb4 n GLY 54 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2kb4 n PRO 55 N -0.21 0.04 -0.25 1.61 -0.02 -1.26 -3.09 135.00 131.81 2kb4 n PRO 55 Ca 0.00 0.24 -0.05 0.00 -2.02 0.00 0.00 63.50 61.66 2kb4 n PRO 55 Cb 0.00 -1.50 0.05 0.00 -0.02 0.00 0.00 33.50 32.03 2kb4 n PRO 55 CO 0.00 0.00 0.00 -2.95 1.98 0.00 0.00 175.50 174.53 2kb4 h ASN 56 N 0.00 0.84 0.00 2.55 -1.07 -1.67 -3.45 115.58 112.78 2kb4 h ASN 56 Ca 0.00 -0.07 0.00 0.00 0.07 0.00 0.00 56.30 56.30 2kb4 h ASN 56 Cb 0.23 -0.21 0.00 0.00 -2.07 0.00 0.00 38.32 36.27 2kb4 h ASN 56 CO 0.00 0.66 0.00 0.00 0.07 0.00 0.00 177.43 178.16 2kb4 n ALA 57 N -2.32 0.00 -2.16 4.14 0.00 -1.21 -4.68 120.51 114.28 2kb4 n ALA 57 Ca 0.06 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.49 2kb4 n ALA 57 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.51 2kb4 n ALA 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kb4 n GLY 58 N -1.39 0.51 0.00 0.00 0.00 -1.18 -4.95 105.19 98.18 2kb4 n GLY 58 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.21 2kb4 n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kb4 n ALA 59 N -1.46 0.00 -2.54 4.61 0.00 -1.26 -4.88 120.51 114.98 2kb4 n ALA 59 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.11 2kb4 n ALA 59 Cb 0.50 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.82 2kb4 n ALA 59 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2kb4 s ARG 60 N -0.42 2.54 0.05 0.00 1.70 -1.26 -0.34 118.95 121.21 2kb4 s ARG 60 Ca 0.00 -0.75 0.05 0.00 -0.47 0.00 0.00 55.73 54.56 2kb4 s ARG 60 Cb 0.00 -2.34 -0.02 0.00 -0.57 0.00 0.00 34.95 32.02 2kb4 s ARG 60 CO 0.00 0.55 -0.14 0.12 -1.08 0.00 0.00 175.30 174.75 2kb4 s PHE 61 N -0.55 1.22 -0.14 5.89 5.36 0.35 -5.00 117.98 125.10 2kb4 s PHE 61 Ca 0.08 -0.40 -0.05 0.00 -0.96 0.00 0.00 56.93 55.60 2kb4 s PHE 61 Cb -0.11 -0.71 -0.04 0.00 -0.34 0.00 0.00 43.02 41.82 2kb4 s PHE 61 CO 0.01 0.04 0.04 -0.51 -1.46 0.00 0.00 175.22 173.34 2kb4 s LEU 62 N -1.39 3.73 -0.28 6.12 1.43 -1.26 -0.93 118.68 126.09 2kb4 s LEU 62 Ca 0.00 0.12 -0.05 0.00 -1.03 0.00 0.00 54.13 53.17 2kb4 s LEU 62 Cb -0.09 -1.90 0.02 0.00 0.03 0.00 0.00 46.19 44.25 2kb4 s LEU 62 CO 0.02 0.27 0.04 -0.76 0.23 0.00 0.00 176.35 176.14 2kb4 s LEU 63 N -0.22 3.68 0.00 1.79 1.02 0.86 -4.81 118.68 121.00 2kb4 s LEU 63 Ca 0.07 -0.81 0.00 0.00 0.02 0.00 0.00 54.13 53.41 2kb4 s LEU 63 Cb -0.12 -1.81 0.00 0.00 0.02 0.00 0.00 46.19 44.28 2kb4 s LEU 63 CO 0.02 -0.18 0.44 -0.90 0.02 0.00 0.00 176.35 175.74 2kb4 n ASP 64 N 4.79 0.60 -4.68 2.29 5.75 -1.26 -1.20 116.55 122.84 2kb4 n ASP 64 Ca -0.15 -1.19 -0.41 0.00 -0.01 0.00 0.00 54.79 53.02 2kb4 n ASP 64 Cb 0.47 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.52 2kb4 n ASP 64 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 2kb4 s GLN 65 N -0.19 4.34 0.27 0.11 -0.21 -1.26 -4.95 119.66 117.76 2kb4 s GLN 65 Ca 0.00 1.09 -0.03 0.00 0.02 0.00 0.00 55.36 56.45 2kb4 s GLN 65 Cb 0.00 -3.55 0.57 0.00 1.00 0.00 0.00 33.01 31.02 2kb4 s GLN 65 CO 0.00 -0.28 1.64 -1.00 -2.12 0.00 0.00 175.29 173.53 2kb4 h PRO 66 N 7.21 0.15 -3.57 2.91 0.13 -1.94 -3.38 132.00 133.51 2kb4 h PRO 66 Ca -0.31 -0.01 -0.44 0.00 -0.87 0.00 0.00 66.00 64.37 2kb4 h PRO 66 Cb 1.14 -0.03 -0.39 0.00 0.13 0.00 0.00 31.00 31.85 2kb4 h PRO 66 CO 0.83 0.10 -0.76 0.99 -0.23 0.00 0.00 178.00 178.93 2kb4 s THR 67 N -6.03 0.29 -0.28 1.56 2.01 -1.26 -1.10 115.64 110.83 2kb4 s THR 67 Ca -0.13 0.03 -0.03 0.00 0.31 0.00 0.00 61.69 61.87 2kb4 s THR 67 Cb 0.24 -0.56 0.03 0.00 0.01 0.00 0.00 72.50 72.22 2kb4 s THR 67 CO 0.76 0.13 -0.01 -0.89 -0.69 0.00 0.00 174.62 173.92 2kb4 s THR 68 N 2.00 3.18 -0.17 -0.82 2.01 0.84 -5.01 115.64 117.67 2kb4 s THR 68 Ca 0.04 -1.07 -0.12 0.00 0.31 0.00 0.00 61.69 60.85 2kb4 s THR 68 Cb -0.13 -2.69 -0.05 0.00 0.01 0.00 0.00 72.50 69.64 2kb4 s THR 68 CO -0.06 0.06 0.22 -0.89 -0.69 0.00 0.00 174.62 173.27 2kb4 s THR 69 N 1.34 5.35 -0.41 -0.82 2.01 -1.26 -0.16 115.64 121.69 2kb4 s THR 69 Ca -0.01 0.40 -0.16 0.00 0.31 0.00 0.00 61.69 62.22 2kb4 s THR 69 Cb -0.18 -3.56 0.02 0.00 0.01 0.00 0.00 72.50 68.79 2kb4 s THR 69 CO -0.02 0.43 0.40 0.00 -0.69 0.00 0.00 174.62 174.74 2kb4 s ALA 70 N 0.28 3.45 0.00 7.40 0.00 0.10 -1.45 121.76 131.54 2kb4 s ALA 70 Ca 0.13 -1.53 0.00 0.00 0.00 0.00 0.00 51.96 50.56 2kb4 s ALA 70 Cb -0.12 -2.99 0.00 0.00 0.00 0.00 0.00 23.12 20.01 2kb4 s ALA 70 CO 0.02 -1.50 0.00 0.41 0.00 0.00 0.00 175.76 174.69 2kb4 n GLY 71 N 5.11 5.55 0.10 0.00 0.00 -0.09 -1.37 105.19 114.49 2kb4 n GLY 71 Ca -0.08 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 44.84 2kb4 n GLY 71 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2kb4 n ARG 72 N 0.00 0.00 -3.91 1.61 0.00 -1.26 0.30 116.66 113.40 2kb4 n ARG 72 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 57.85 57.61 2kb4 n ARG 72 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 32.46 32.44 2kb4 n ARG 72 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.63 176.62 2kb4 s HIS 73 N 0.00 3.47 0.65 -0.14 3.76 -1.26 -4.97 115.29 116.80 2kb4 s HIS 73 Ca 0.00 0.08 0.35 0.00 -0.15 0.00 0.00 55.06 55.34 2kb4 s HIS 73 Cb 0.00 -1.64 1.94 0.00 1.11 0.00 0.00 32.58 33.98 2kb4 s HIS 73 CO 0.00 0.45 2.13 -1.35 -0.85 0.00 0.00 174.74 175.11 2kb4 h PRO 74 N 1.57 0.00 -0.02 8.40 0.11 -2.00 0.83 132.00 140.89 2kb4 h PRO 74 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2kb4 h PRO 74 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2kb4 h PRO 74 CO 0.64 0.00 -0.15 -0.85 -0.21 0.00 0.00 178.00 177.44 2kb4 n GLU 75 N -3.15 1.81 -2.97 1.05 -0.00 -1.26 -4.93 120.64 111.18 2kb4 n GLU 75 Ca -0.02 -1.42 -0.35 0.00 -0.00 0.00 0.00 57.16 55.38 2kb4 n GLU 75 Cb 0.26 -1.47 -0.06 0.00 -0.00 0.00 0.00 31.44 30.16 2kb4 n GLU 75 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.13 176.01 2kb4 s SER 76 N -2.17 7.04 0.05 -1.84 0.01 0.28 -5.00 113.70 112.08 2kb4 s SER 76 Ca 0.27 1.55 -0.36 0.00 1.31 0.00 0.00 55.95 58.72 2kb4 s SER 76 Cb 0.20 -2.47 -0.20 0.00 0.21 0.00 0.00 66.02 63.76 2kb4 s SER 76 CO 0.40 -0.12 1.47 -0.78 0.41 0.00 0.00 173.24 174.61 2kb4 h ASP 77 N 2.80 -1.08 -2.93 2.44 1.82 -1.84 -3.45 116.42 114.17 2kb4 h ASP 77 Ca -0.48 0.04 -0.56 0.00 -0.39 0.00 0.00 57.03 55.64 2kb4 h ASP 77 Cb 1.19 0.28 -0.16 0.00 0.68 0.00 0.00 39.33 41.32 2kb4 h ASP 77 CO 0.64 -0.74 -0.77 0.27 -1.61 0.00 0.00 179.24 177.03 2kb4 s ILE 78 N -5.70 2.12 -0.21 2.25 -4.36 -0.52 -4.98 121.20 109.80 2kb4 s ILE 78 Ca -0.19 -2.18 -0.13 0.00 -0.26 0.00 0.00 60.65 57.89 2kb4 s ILE 78 Cb 0.02 -2.10 -0.05 0.00 1.25 0.00 0.00 42.46 41.58 2kb4 s ILE 78 CO 0.56 -0.38 0.28 -0.36 0.24 0.00 0.00 174.94 175.28 2kb4 s PHE 79 N -2.37 3.37 0.00 1.37 0.40 -1.26 -0.91 117.98 118.59 2kb4 s PHE 79 Ca 0.23 0.46 0.00 0.00 -0.60 0.00 0.00 56.93 57.02 2kb4 s PHE 79 Cb -0.05 -2.37 0.00 0.00 0.51 0.00 0.00 43.02 41.11 2kb4 s PHE 79 CO 0.10 0.09 0.00 -0.11 0.70 0.00 0.00 175.22 176.00 2kb4 n LEU 80 N 4.15 0.00 -4.58 -0.37 -0.00 0.15 -4.46 117.00 111.90 2kb4 n LEU 80 Ca -0.12 0.00 -0.40 0.00 -0.00 0.00 0.00 56.01 55.49 2kb4 n LEU 80 Cb 0.52 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.84 2kb4 n LEU 80 CO 0.38 0.00 0.02 -0.62 -0.00 0.00 0.00 177.39 177.17 2kb4 s ASP 81 N -0.13 6.19 -0.18 1.96 -1.08 -1.26 -2.28 116.67 119.89 2kb4 s ASP 81 Ca 0.00 0.04 -0.04 0.00 -0.52 0.00 0.00 52.55 52.03 2kb4 s ASP 81 Cb 0.00 -2.19 -0.22 0.00 -1.46 0.00 0.00 42.92 39.04 2kb4 s ASP 81 CO 0.00 -0.23 0.12 -0.67 0.52 0.00 0.00 175.17 174.91 2kb4 n ASP 82 N 5.33 2.07 0.07 -0.34 2.03 -1.26 -3.68 116.55 120.75 2kb4 n ASP 82 Ca -0.09 0.08 -0.10 0.00 0.52 0.00 0.00 54.79 55.19 2kb4 n ASP 82 Cb 0.50 -0.69 -0.13 0.00 -0.72 0.00 0.00 41.12 40.09 2kb4 n ASP 82 CO 0.00 0.00 0.00 1.62 -1.92 0.00 0.00 177.20 176.90 2kb4 h VAL 83 N 0.02 1.59 -2.25 5.18 3.04 -1.97 -3.37 116.25 118.49 2kb4 h VAL 83 Ca -0.49 -3.26 -0.58 0.00 -1.01 0.00 0.00 66.70 61.36 2kb4 h VAL 83 Cb 1.97 2.85 -0.40 0.00 -2.01 0.00 0.00 31.29 33.70 2kb4 h VAL 83 CO 0.01 0.92 -0.92 0.35 -1.01 0.00 0.00 177.57 176.92 2kb4 n THR 84 N -3.39 0.01 -2.80 3.17 -2.24 -1.26 -5.10 114.28 102.68 2kb4 n THR 84 Ca -0.04 -4.19 -0.42 0.00 -2.27 0.00 0.00 64.05 57.13 2kb4 n THR 84 Cb 0.97 -1.93 -0.03 0.00 -2.10 0.00 0.00 70.33 67.24 2kb4 n THR 84 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2kb4 s VAL 85 N -1.15 4.84 -0.06 2.28 0.11 -1.24 -4.80 120.40 120.37 2kb4 s VAL 85 Ca 0.34 1.83 -0.11 0.00 -2.93 0.00 0.00 61.98 61.11 2kb4 s VAL 85 Cb 0.11 -4.22 -0.05 0.00 -1.53 0.00 0.00 36.38 30.69 2kb4 s VAL 85 CO -0.12 0.02 0.28 -0.44 -3.33 0.00 0.00 175.10 171.51 2kb4 s SER 86 N 1.11 6.60 0.29 3.54 0.01 -1.26 -5.00 113.70 118.98 2kb4 s SER 86 Ca 0.43 0.71 0.00 0.00 1.31 0.00 0.00 55.95 58.41 2kb4 s SER 86 Cb -0.17 -2.16 0.50 0.00 0.21 0.00 0.00 66.02 64.40 2kb4 s SER 86 CO 0.15 0.35 1.88 0.08 0.41 0.00 0.00 173.24 176.12 2kb4 h ARG 87 N 4.93 1.03 -3.52 12.44 0.11 -1.96 -3.32 114.38 124.09 2kb4 h ARG 87 Ca -0.53 -0.06 -0.56 0.00 0.10 0.00 0.00 59.98 58.93 2kb4 h ARG 87 Cb 1.22 -0.23 -0.40 0.00 1.11 0.00 0.00 29.97 31.67 2kb4 h ARG 87 CO 0.61 0.68 -0.76 1.03 0.10 0.00 0.00 179.97 181.63 2kb4 s ARG 88 N -5.95 0.69 -0.00 0.08 1.81 -1.26 -4.45 118.95 109.87 2kb4 s ARG 88 Ca -0.12 -0.84 -0.00 0.00 -1.72 0.00 0.00 55.73 53.05 2kb4 s ARG 88 Cb 0.21 -1.98 -0.00 0.00 -0.45 0.00 0.00 34.95 32.73 2kb4 s ARG 88 CO 0.81 -0.88 -0.00 1.25 -0.68 0.00 0.00 175.30 175.80 2kb4 h HIS 89 N 8.15 0.00 -4.24 -0.53 2.76 -1.32 -3.06 115.15 116.91 2kb4 h HIS 89 Ca -0.15 0.00 -0.18 0.00 -2.20 0.00 0.00 60.37 57.84 2kb4 h HIS 89 Cb 1.05 0.00 -0.12 0.00 1.55 0.00 0.00 27.41 29.88 2kb4 h HIS 89 CO 0.34 0.00 -0.42 0.00 -1.30 0.00 0.00 177.93 176.55 2kb4 s ALA 90 N -3.00 0.67 -0.08 5.26 0.00 -1.05 -2.15 121.76 121.41 2kb4 s ALA 90 Ca -0.00 -1.41 -0.04 0.00 0.00 0.00 0.00 51.96 50.51 2kb4 s ALA 90 Cb 0.00 1.27 0.04 0.00 0.00 0.00 0.00 23.12 24.43 2kb4 s ALA 90 CO 0.00 -0.70 0.18 -2.00 0.00 0.00 0.00 175.76 173.24 2kb4 s GLU 91 N -4.03 0.12 -0.27 0.00 2.12 0.59 0.01 118.70 117.23 2kb4 s GLU 91 Ca 0.33 0.46 -0.07 0.00 0.36 0.00 0.00 54.97 56.04 2kb4 s GLU 91 Cb 0.04 -0.17 -0.01 0.00 0.26 0.00 0.00 34.13 34.25 2kb4 s GLU 91 CO 0.12 -0.19 0.07 -0.06 -0.54 0.00 0.00 175.26 174.66 2kb4 s PHE 92 N 1.41 3.11 -0.00 5.30 0.08 0.78 -1.33 117.98 127.32 2kb4 s PHE 92 Ca -0.07 -0.72 0.06 0.00 0.12 0.00 0.00 56.93 56.32 2kb4 s PHE 92 Cb -0.11 -2.25 -0.02 0.00 -0.57 0.00 0.00 43.02 40.07 2kb4 s PHE 92 CO -0.07 -0.48 -0.18 0.50 -0.10 0.00 0.00 175.22 174.89 2kb4 s ARG 93 N 1.56 1.42 -0.15 0.44 3.52 -0.83 -0.11 118.95 124.79 2kb4 s ARG 93 Ca 0.05 -0.69 -0.00 0.00 -0.13 0.00 0.00 55.73 54.95 2kb4 s ARG 93 Cb -0.16 -1.40 -0.01 0.00 -1.56 0.00 0.00 34.95 31.82 2kb4 s ARG 93 CO 0.03 0.38 -0.14 0.96 -0.81 0.00 0.00 175.30 175.72 2kb4 s ILE 94 N -0.50 2.86 0.07 4.11 -5.25 -0.26 -1.89 121.20 120.35 2kb4 s ILE 94 Ca 0.07 -0.71 0.09 0.00 -0.99 0.00 0.00 60.65 59.11 2kb4 s ILE 94 Cb -0.07 -2.21 -0.03 0.00 2.95 0.00 0.00 42.46 43.09 2kb4 s ILE 94 CO -0.00 0.51 -0.23 0.21 -1.79 0.00 0.00 174.94 173.64 2kb4 s ASN 95 N 0.69 3.47 0.55 4.36 2.47 -0.18 -4.68 114.94 121.61 2kb4 s ASN 95 Ca -0.07 -0.57 0.36 0.00 0.42 0.00 0.00 52.86 53.00 2kb4 s ASN 95 Cb -0.15 -0.40 1.52 0.00 -1.45 0.00 0.00 41.25 40.77 2kb4 s ASN 95 CO 0.02 0.23 1.80 1.05 -3.72 0.00 0.00 177.10 176.48 2kb4 h GLU 96 N 4.43 0.00 0.04 0.43 -0.00 -1.98 -2.11 114.58 115.38 2kb4 h GLU 96 Ca -0.48 0.00 -0.38 0.00 -0.00 0.00 0.00 59.36 58.50 2kb4 h GLU 96 Cb 1.15 0.00 -0.05 0.00 -0.00 0.00 0.00 28.75 29.85 2kb4 h GLU 96 CO 0.44 0.00 -2.31 0.41 -0.00 0.00 0.00 179.01 177.56 2kb4 n GLY 97 N -1.75 -0.43 3.55 1.06 0.00 -1.26 -5.00 105.19 101.37 2kb4 n GLY 97 Ca 0.24 -0.20 -0.10 0.00 0.00 0.00 0.00 46.02 45.96 2kb4 n GLY 97 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2kb4 s GLU 98 N -2.53 1.57 -0.18 1.61 -1.05 -0.80 -5.15 118.70 112.18 2kb4 s GLU 98 Ca -0.31 -1.34 -0.06 0.00 -0.15 0.00 0.00 54.97 53.11 2kb4 s GLU 98 Cb 0.08 0.46 -0.04 0.00 -0.44 0.00 0.00 34.13 34.19 2kb4 s GLU 98 CO 0.65 -0.65 0.04 -0.06 0.95 0.00 0.00 175.26 176.19 2kb4 s PHE 99 N -3.90 3.17 -0.03 4.83 0.08 -1.26 -1.01 117.98 119.86 2kb4 s PHE 99 Ca 0.24 -0.09 0.02 0.00 0.12 0.00 0.00 56.93 57.23 2kb4 s PHE 99 Cb -0.00 -2.07 0.01 0.00 -0.57 0.00 0.00 43.02 40.39 2kb4 s PHE 99 CO 0.10 0.04 -0.08 -2.00 -0.10 0.00 0.00 175.22 173.17 2kb4 s GLU 100 N 0.53 0.95 -0.17 0.44 2.12 -0.79 -0.12 118.70 121.66 2kb4 s GLU 100 Ca 0.01 -0.28 0.00 0.00 0.36 0.00 0.00 54.97 55.07 2kb4 s GLU 100 Cb -0.13 -0.89 0.01 0.00 0.26 0.00 0.00 34.13 33.38 2kb4 s GLU 100 CO 0.01 0.09 -0.17 0.54 -0.54 0.00 0.00 175.26 175.20 2kb4 s VAL 101 N 0.27 2.44 -0.04 3.70 0.11 -0.50 -1.97 120.40 124.41 2kb4 s VAL 101 Ca -0.04 -0.83 0.07 0.00 -2.93 0.00 0.00 61.98 58.25 2kb4 s VAL 101 Cb -0.09 -2.03 -0.02 0.00 -1.53 0.00 0.00 36.38 32.71 2kb4 s VAL 101 CO 0.01 0.52 -0.25 0.68 -3.33 0.00 0.00 175.10 172.72 2kb4 s VAL 102 N 1.07 2.06 -0.11 2.04 -7.23 -0.44 -1.05 120.40 116.74 2kb4 s VAL 102 Ca -0.00 -1.09 -0.26 0.00 -1.81 0.00 0.00 61.98 58.82 2kb4 s VAL 102 Cb -0.14 -1.72 -0.02 0.00 0.56 0.00 0.00 36.38 35.05 2kb4 s VAL 102 CO -0.05 0.58 0.86 -0.62 -0.31 0.00 0.00 175.10 175.56 2kb4 s ASP 103 N -0.39 7.09 0.00 4.85 2.15 0.13 -0.30 116.67 130.20 2kb4 s ASP 103 Ca 0.03 1.33 0.17 0.00 0.43 0.00 0.00 52.55 54.51 2kb4 s ASP 103 Cb -0.12 -2.48 0.20 0.00 -0.30 0.00 0.00 42.92 40.22 2kb4 s ASP 103 CO 0.01 -0.33 1.12 0.55 -0.17 0.00 0.00 175.17 176.36 2kb4 n VAL 104 N 4.37 0.18 0.00 1.11 3.14 -1.08 -4.87 118.33 121.18 2kb4 n VAL 104 Ca 0.04 -0.59 0.00 0.00 -2.96 0.00 0.00 64.34 60.83 2kb4 n VAL 104 Cb 0.50 1.21 0.00 0.00 -1.06 0.00 0.00 33.84 34.49 2kb4 n VAL 104 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2kb4 n GLY 105 N 1.01 0.18 3.69 7.55 0.00 -1.15 -4.84 105.19 111.62 2kb4 n GLY 105 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 2kb4 n GLY 105 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kb4 s SER 106 N -0.27 6.98 0.28 1.61 1.04 -0.91 -4.61 113.70 117.81 2kb4 s SER 106 Ca 0.00 1.91 0.15 0.00 0.48 0.00 0.00 55.95 58.48 2kb4 s SER 106 Cb 0.00 -2.56 0.17 0.00 0.10 0.00 0.00 66.02 63.73 2kb4 s SER 106 CO 0.00 -0.64 1.49 0.25 0.98 0.00 0.00 173.24 175.32 2kb4 h LEU 107 N 8.35 0.00 -0.44 2.42 5.85 -1.90 -3.03 115.31 126.56 2kb4 h LEU 107 Ca -0.35 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.31 2kb4 h LEU 107 Cb 1.16 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.18 2kb4 h LEU 107 CO 0.89 0.55 -0.29 0.78 -0.34 0.00 0.00 178.44 180.02 2kb4 h ASN 108 N 0.00 0.00 -1.01 1.25 2.35 -1.90 -3.49 115.58 112.78 2kb4 h ASN 108 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 2kb4 h ASN 108 Cb 1.33 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.70 2kb4 h ASN 108 CO 0.07 0.29 0.00 0.61 -1.65 0.00 0.00 177.43 176.76 2kb4 n GLY 109 N 0.78 0.55 3.37 2.83 0.00 -1.14 -4.34 105.19 107.23 2kb4 n GLY 109 Ca 0.02 -1.33 -0.36 0.00 0.00 0.00 0.00 46.02 44.35 2kb4 n GLY 109 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kb4 s THR 110 N -0.51 3.82 0.00 2.61 2.01 -1.26 -0.90 115.64 121.41 2kb4 s THR 110 Ca 0.00 -0.35 0.06 0.00 0.31 0.00 0.00 61.69 61.71 2kb4 s THR 110 Cb 0.00 -2.77 -0.02 0.00 0.01 0.00 0.00 72.50 69.72 2kb4 s THR 110 CO 0.00 0.37 -0.19 -0.31 -0.69 0.00 0.00 174.62 173.80 2kb4 s TYR 111 N 1.54 1.73 -0.39 4.92 2.02 -0.42 -3.49 117.35 123.26 2kb4 s TYR 111 Ca 0.06 -0.34 -0.15 0.00 -0.37 0.00 0.00 57.07 56.27 2kb4 s TYR 111 Cb -0.15 -1.09 0.01 0.00 -0.40 0.00 0.00 41.96 40.33 2kb4 s TYR 111 CO 0.00 0.01 0.33 0.14 -1.57 0.00 0.00 175.55 174.46 2kb4 s VAL 112 N -0.56 5.21 0.00 0.71 -7.23 0.40 0.15 120.40 119.08 2kb4 s VAL 112 Ca 0.07 -0.43 0.00 0.00 -1.81 0.00 0.00 61.98 59.81 2kb4 s VAL 112 Cb -0.08 -3.91 0.00 0.00 0.56 0.00 0.00 36.38 32.95 2kb4 s VAL 112 CO 0.00 -0.27 0.00 -3.20 -0.31 0.00 0.00 175.10 171.32 2kb4 n ASN 113 N 5.29 0.00 -0.02 4.85 2.85 0.12 -0.28 115.26 128.06 2kb4 n ASN 113 Ca -0.10 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.37 2kb4 n ASN 113 Cb 0.48 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.50 2kb4 n ASN 113 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 2kb4 n ARG 114 N 0.00 0.00 -3.64 1.20 5.12 -1.26 -4.75 116.66 113.32 2kb4 n ARG 114 Ca 0.00 -0.34 -0.37 0.00 -1.93 0.00 0.00 57.85 55.21 2kb4 n ARG 114 Cb 0.00 -0.32 -0.11 0.00 -1.16 0.00 0.00 32.46 30.87 2kb4 n ARG 114 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 2kb4 s GLU 115 N 0.00 3.97 -0.27 5.56 0.41 0.61 -5.04 118.70 123.93 2kb4 s GLU 115 Ca 0.00 -0.32 -0.29 0.00 -0.41 0.00 0.00 54.97 53.96 2kb4 s GLU 115 Cb 0.00 -3.58 -0.02 0.00 -1.78 0.00 0.00 34.13 28.75 2kb4 s GLU 115 CO 0.00 -0.09 1.64 -2.14 -0.49 0.00 0.00 175.26 174.18 2kb4 s PRO 116 N 1.47 3.65 -0.05 0.39 0.02 -1.26 -0.45 135.00 138.76 2kb4 s PRO 116 Ca 0.07 1.51 -0.02 0.00 0.02 0.00 0.00 61.00 62.58 2kb4 s PRO 116 Cb -0.15 -4.08 0.03 0.00 0.02 0.00 0.00 34.50 30.32 2kb4 s PRO 116 CO 0.08 -1.47 0.04 1.03 -0.33 0.00 0.00 177.00 176.34 2kb4 s ARG 117 N 4.96 0.16 0.24 5.54 1.81 -1.23 -4.98 118.95 125.46 2kb4 s ARG 117 Ca 0.72 0.28 0.20 0.00 -1.72 0.00 0.00 55.73 55.22 2kb4 s ARG 117 Cb -0.23 -0.67 0.06 0.00 -0.45 0.00 0.00 34.95 33.67 2kb4 s ARG 117 CO 0.31 -0.32 1.20 -0.91 -0.68 0.00 0.00 175.30 174.90 2kb4 h ASN 118 N 8.38 0.00 -3.74 0.23 4.21 -1.93 -3.43 115.58 119.29 2kb4 h ASN 118 Ca -0.15 0.00 -0.33 0.00 1.21 0.00 0.00 56.30 57.03 2kb4 h ASN 118 Cb 1.12 0.00 -0.30 0.00 -1.12 0.00 0.00 38.32 38.02 2kb4 h ASN 118 CO 0.19 0.20 -0.75 0.00 -1.29 0.00 0.00 177.43 175.78 2kb4 s ALA 119 N -3.17 0.38 0.02 -0.83 0.00 -1.26 0.19 121.76 117.09 2kb4 s ALA 119 Ca 0.01 -0.08 -0.05 0.00 0.00 0.00 0.00 51.96 51.85 2kb4 s ALA 119 Cb 0.08 -0.18 -0.01 0.00 0.00 0.00 0.00 23.12 23.01 2kb4 s ALA 119 CO 0.76 0.04 0.07 -1.14 0.00 0.00 0.00 175.76 175.49 2kb4 s GLN 120 N 0.28 0.45 -0.13 0.00 -0.44 -0.22 -5.02 119.66 114.58 2kb4 s GLN 120 Ca -0.03 -0.55 -0.29 0.00 -2.50 0.00 0.00 55.36 51.99 2kb4 s GLN 120 Cb -0.06 0.18 -0.01 0.00 -1.64 0.00 0.00 33.01 31.48 2kb4 s GLN 120 CO -0.00 -0.10 1.05 0.54 0.50 0.00 0.00 175.29 177.27 2kb4 s VAL 121 N -1.69 4.68 -0.26 1.34 0.11 -1.26 -1.41 120.40 121.91 2kb4 s VAL 121 Ca -0.13 1.97 -0.29 0.00 -2.93 0.00 0.00 61.98 60.60 2kb4 s VAL 121 Cb -0.07 -4.27 -0.01 0.00 -1.53 0.00 0.00 36.38 30.50 2kb4 s VAL 121 CO -0.01 -0.05 1.41 -0.32 -3.33 0.00 0.00 175.10 172.81 2kb4 s MET 122 N 2.39 3.89 -0.13 1.54 1.75 0.83 -4.81 119.30 124.77 2kb4 s MET 122 Ca 0.48 1.42 -0.05 0.00 -1.25 0.00 0.00 55.69 56.29 2kb4 s MET 122 Cb -0.18 -3.93 -0.04 0.00 2.84 0.00 0.00 34.83 33.52 2kb4 s MET 122 CO 0.15 -1.16 0.06 -1.14 -0.65 0.00 0.00 175.02 172.28 2kb4 s GLN 123 N 4.32 3.42 -0.21 4.11 0.74 -1.26 -4.60 119.66 126.18 2kb4 s GLN 123 Ca 0.62 -0.30 -0.21 0.00 0.05 0.00 0.00 55.36 55.51 2kb4 s GLN 123 Cb -0.20 -3.04 -0.02 0.00 1.10 0.00 0.00 33.01 30.85 2kb4 s GLN 123 CO 0.25 0.60 0.67 0.95 -0.55 0.00 0.00 175.29 177.20 2kb4 s THR 124 N -0.55 4.98 0.00 -0.34 -4.23 -1.26 -3.98 115.64 110.26 2kb4 s THR 124 Ca 0.11 1.25 0.00 0.00 -1.18 0.00 0.00 61.69 61.87 2kb4 s THR 124 Cb -0.12 -3.98 0.00 0.00 1.34 0.00 0.00 72.50 69.75 2kb4 s THR 124 CO 0.02 0.06 0.00 0.61 -0.54 0.00 0.00 174.62 174.78 2kb4 n GLY 125 N 3.85 0.61 3.95 3.99 0.00 0.16 -4.77 105.19 112.99 2kb4 n GLY 125 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 2kb4 n GLY 125 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kb4 s ASP 126 N -1.05 5.87 -0.12 1.61 -1.08 -1.25 -4.86 116.67 115.80 2kb4 s ASP 126 Ca 0.00 0.31 -0.02 0.00 -0.52 0.00 0.00 52.55 52.32 2kb4 s ASP 126 Cb 0.00 -1.58 -0.03 0.00 -1.46 0.00 0.00 42.92 39.85 2kb4 s ASP 126 CO 0.00 -0.67 -0.04 -1.83 0.52 0.00 0.00 175.17 173.15 2kb4 s GLU 127 N -4.54 3.27 -0.26 4.34 -1.05 -1.26 -2.48 118.70 116.72 2kb4 s GLU 127 Ca 0.48 -0.50 -0.13 0.00 -0.15 0.00 0.00 54.97 54.67 2kb4 s GLU 127 Cb -0.10 -2.80 -0.04 0.00 -0.44 0.00 0.00 34.13 30.74 2kb4 s GLU 127 CO 0.38 0.46 0.27 0.42 0.95 0.00 0.00 175.26 177.74 2kb4 s ILE 128 N -0.23 5.26 -0.40 1.83 1.01 0.19 0.12 121.20 128.97 2kb4 s ILE 128 Ca 0.04 0.37 -0.22 0.00 0.00 0.00 0.00 60.65 60.84 2kb4 s ILE 128 Cb -0.13 -3.61 0.01 0.00 0.01 0.00 0.00 42.46 38.75 2kb4 s ILE 128 CO 0.02 0.23 0.71 -1.10 0.00 0.00 0.00 174.94 174.80 2kb4 s GLN 129 N 1.75 3.55 -0.61 2.79 -1.52 0.12 -1.36 119.66 124.38 2kb4 s GLN 129 Ca 0.11 -0.01 -0.14 0.00 -1.95 0.00 0.00 55.36 53.36 2kb4 s GLN 129 Cb -0.15 -3.87 0.15 0.00 -0.22 0.00 0.00 33.01 28.92 2kb4 s GLN 129 CO 0.09 -0.91 0.55 0.96 -0.25 0.00 0.00 175.29 175.74 2kb4 s ILE 130 N 2.97 5.18 0.00 1.08 -4.36 -0.33 -1.30 121.20 124.44 2kb4 s ILE 130 Ca 0.27 -1.82 0.00 0.00 -0.26 0.00 0.00 60.65 58.84 2kb4 s ILE 130 Cb -0.13 -4.30 0.00 0.00 1.25 0.00 0.00 42.46 39.28 2kb4 s ILE 130 CO 0.18 -0.90 0.00 0.61 0.24 0.00 0.00 174.94 175.07 2kb4 n GLY 131 N 4.84 1.42 0.01 6.27 0.00 -0.08 -0.87 105.19 116.78 2kb4 n GLY 131 Ca -0.06 0.16 0.08 0.00 0.00 0.00 0.00 46.02 46.21 2kb4 n GLY 131 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2kb4 n LYS 132 N 0.00 0.79 -2.11 1.61 4.81 -1.26 -4.91 118.16 117.08 2kb4 n LYS 132 Ca 0.00 -0.12 -0.28 0.00 -0.87 0.00 0.00 58.31 57.04 2kb4 n LYS 132 Cb 0.00 -1.36 0.05 0.00 0.02 0.00 0.00 35.03 33.73 2kb4 n LYS 132 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 2kb4 s PHE 133 N -3.01 3.22 -0.12 5.64 0.08 -0.05 -5.06 117.98 118.69 2kb4 s PHE 133 Ca -0.03 0.80 0.01 0.00 0.12 0.00 0.00 56.93 57.83 2kb4 s PHE 133 Cb 0.11 -3.00 0.02 0.00 -0.57 0.00 0.00 43.02 39.58 2kb4 s PHE 133 CO 0.69 -1.13 -0.12 -0.98 -0.10 0.00 0.00 175.22 173.58 2kb4 s ARG 134 N -5.23 1.95 0.01 0.44 1.70 -0.34 -1.18 118.95 116.30 2kb4 s ARG 134 Ca 0.57 -0.43 0.06 0.00 -0.47 0.00 0.00 55.73 55.46 2kb4 s ARG 134 Cb -0.11 -1.81 -0.02 0.00 -0.57 0.00 0.00 34.95 32.45 2kb4 s ARG 134 CO 0.48 -0.19 -0.20 -1.17 -1.08 0.00 0.00 175.30 173.15 2kb4 s LEU 135 N 1.38 2.09 -0.08 -1.89 0.20 -0.46 -0.65 118.68 119.28 2kb4 s LEU 135 Ca 0.01 -0.42 0.04 0.00 0.69 0.00 0.00 54.13 54.44 2kb4 s LEU 135 Cb -0.13 -0.98 0.00 0.00 -0.43 0.00 0.00 46.19 44.65 2kb4 s LEU 135 CO -0.07 0.20 -0.21 -0.69 -0.29 0.00 0.00 176.35 175.30 2kb4 s VAL 136 N -0.61 1.78 -0.20 1.68 1.01 0.78 0.53 120.40 125.38 2kb4 s VAL 136 Ca 0.07 -0.87 -0.08 0.00 0.00 0.00 0.00 61.98 61.10 2kb4 s VAL 136 Cb -0.08 -1.54 -0.04 0.00 0.00 0.00 0.00 36.38 34.71 2kb4 s VAL 136 CO 0.00 0.50 0.09 0.12 0.00 0.00 0.00 175.10 175.81 2kb4 s PHE 137 N 0.28 3.28 0.28 5.22 5.36 -1.03 -0.30 117.98 131.08 2kb4 s PHE 137 Ca -0.13 0.12 0.07 0.00 -0.96 0.00 0.00 56.93 56.02 2kb4 s PHE 137 Cb -0.16 -2.12 -0.06 0.00 -0.34 0.00 0.00 43.02 40.34 2kb4 s PHE 137 CO 0.06 0.15 -0.07 -0.51 -1.46 0.00 0.00 175.22 173.38 2kb4 s LEU 138 N 0.51 2.52 -0.13 6.12 2.01 0.33 0.41 118.68 130.45 2kb4 s LEU 138 Ca 0.05 -1.18 -0.29 0.00 0.01 0.00 0.00 54.13 52.72 2kb4 s LEU 138 Cb -0.12 -0.71 -0.03 0.00 0.01 0.00 0.00 46.19 45.34 2kb4 s LEU 138 CO 0.00 -0.30 1.42 0.00 1.01 0.00 0.00 176.35 178.48 2kb4 s ALA 139 N -2.94 3.64 1.00 4.21 0.00 -1.26 -2.64 121.76 123.77 2kb4 s ALA 139 Ca 0.29 0.63 0.00 0.00 0.00 0.00 0.00 51.96 52.89 2kb4 s ALA 139 Cb 0.03 -3.67 0.00 0.00 0.00 0.00 0.00 23.12 19.48 2kb4 s ALA 139 CO 0.12 -1.28 0.00 0.41 0.00 0.00 0.00 175.76 175.01 2kb4 n GLY 140 N 3.83 -1.35 3.69 0.00 0.00 -1.26 -4.74 105.19 105.36 2kb4 n GLY 140 Ca 0.15 -1.53 -0.42 0.00 0.00 0.00 0.00 46.02 44.22 2kb4 n GLY 140 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2kb4 s PRO 141 N -0.06 4.39 -0.41 1.61 0.02 -1.26 -4.29 135.00 134.99 2kb4 s PRO 141 Ca 0.00 1.59 -0.06 0.00 0.02 0.00 0.00 61.00 62.55 2kb4 s PRO 141 Cb 0.00 -3.53 0.09 0.00 0.02 0.00 0.00 34.50 31.08 2kb4 s PRO 141 CO 0.00 -0.37 0.23 0.00 -0.33 0.00 0.00 177.00 176.53 2kb4 s ALA 142 N 2.00 3.22 0.00 -1.55 0.00 -1.26 -3.28 121.76 120.88 2kb4 s ALA 142 Ca 0.54 -2.31 0.00 0.00 0.00 0.00 0.00 51.96 50.19 2kb4 s ALA 142 Cb -0.23 -2.54 0.00 0.00 0.00 0.00 0.00 23.12 20.35 2kb4 s ALA 142 CO 0.22 -1.71 0.00 -1.91 0.00 0.00 0.00 175.76 172.36