#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k2o s ASP 919 N 0.00 5.47 -0.45 7.28 2.15 -1.26 -5.05 116.67 124.82 2k2o s ASP 919 Ca 0.00 -2.16 -0.28 0.00 0.43 0.00 0.00 52.55 50.54 2k2o s ASP 919 Cb 0.00 -1.91 0.00 0.00 -0.30 0.00 0.00 42.92 40.71 2k2o s ASP 919 CO 0.00 -0.57 1.51 -2.84 -0.17 0.00 0.00 175.17 173.10 2k2o s PRO 920 N 0.97 3.40 0.20 4.34 0.02 -1.26 -4.84 135.00 137.83 2k2o s PRO 920 Ca 0.09 0.89 -0.06 0.00 0.02 0.00 0.00 61.00 61.93 2k2o s PRO 920 Cb -0.23 -4.11 0.14 0.00 0.02 0.00 0.00 34.50 30.32 2k2o s PRO 920 CO -0.03 -1.79 1.63 0.27 -0.33 0.00 0.00 177.00 176.75 2k2o h PHE 921 N 11.48 1.00 -3.45 6.54 -0.00 -2.08 -3.35 116.94 127.07 2k2o h PHE 921 Ca -0.28 -0.21 -0.64 0.00 -0.00 0.00 0.00 57.97 56.84 2k2o h PHE 921 Cb 1.12 -0.25 -0.40 0.00 -0.00 0.00 0.00 35.95 36.42 2k2o h PHE 921 CO 0.99 0.97 -0.68 0.99 -0.00 0.00 0.00 178.31 180.58 2k2o s THR 922 N -4.75 2.24 0.48 0.88 2.01 -1.26 -5.10 115.64 110.13 2k2o s THR 922 Ca -0.10 -2.74 -0.04 0.00 0.31 0.00 0.00 61.69 59.12 2k2o s THR 922 Cb 0.13 -2.61 -0.02 0.00 0.01 0.00 0.00 72.50 70.01 2k2o s THR 922 CO 0.85 -0.72 0.76 0.00 -0.69 0.00 0.00 174.62 174.82 2k2o s ALA 923 N 0.37 3.47 -0.01 7.40 0.00 -1.26 -5.10 121.76 126.63 2k2o s ALA 923 Ca 0.14 -0.67 0.02 0.00 0.00 0.00 0.00 51.96 51.45 2k2o s ALA 923 Cb -0.22 -2.47 -0.00 0.00 0.00 0.00 0.00 23.12 20.42 2k2o s ALA 923 CO -0.05 -0.39 -0.06 0.34 0.00 0.00 0.00 175.76 175.60 2k2o s ASP 924 N -4.15 0.70 -0.00 0.00 2.15 -1.26 -4.97 116.67 109.13 2k2o s ASP 924 Ca 0.48 -0.11 0.00 0.00 0.43 0.00 0.00 52.55 53.35 2k2o s ASP 924 Cb -0.10 -0.10 0.01 0.00 -0.30 0.00 0.00 42.92 42.42 2k2o s ASP 924 CO 0.43 0.06 0.71 0.00 -0.17 0.00 0.00 175.17 176.20 2k2o n ALA 925 N 3.02 1.41 0.00 3.66 0.00 -1.26 -4.97 120.51 122.38 2k2o n ALA 925 Ca -0.14 -0.74 0.00 0.00 0.00 0.00 0.00 53.44 52.56 2k2o n ALA 925 Cb 0.57 -0.18 0.00 0.00 0.00 0.00 0.00 19.45 19.84 2k2o n ALA 925 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k2o n GLY 926 N -0.05 0.58 3.31 0.00 0.00 -1.26 -5.16 105.19 102.61 2k2o n GLY 926 Ca 0.00 -0.28 -0.19 0.00 0.00 0.00 0.00 46.02 45.56 2k2o n GLY 926 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2k2o s HIS 927 N 0.00 1.62 -0.15 1.61 3.76 -1.26 -4.44 115.29 116.44 2k2o s HIS 927 Ca 0.00 -0.56 -0.04 0.00 -0.15 0.00 0.00 55.06 54.32 2k2o s HIS 927 Cb 0.00 -0.79 -0.03 0.00 1.11 0.00 0.00 32.58 32.87 2k2o s HIS 927 CO 0.00 0.27 -0.03 0.99 -0.85 0.00 0.00 174.74 175.13 2k2o s THR 928 N -2.56 4.00 -0.01 1.30 2.01 -1.26 -4.93 115.64 114.18 2k2o s THR 928 Ca 0.17 -0.33 -0.06 0.00 0.31 0.00 0.00 61.69 61.79 2k2o s THR 928 Cb -0.03 -2.74 0.00 0.00 0.01 0.00 0.00 72.50 69.74 2k2o s THR 928 CO 0.05 0.50 0.11 -1.83 -0.69 0.00 0.00 174.62 172.77 2k2o s GLU 929 N 0.20 0.38 -0.00 4.92 1.03 -1.26 0.12 118.70 124.09 2k2o s GLU 929 Ca -0.01 -0.29 -0.01 0.00 0.03 0.00 0.00 54.97 54.68 2k2o s GLU 929 Cb -0.14 0.16 -0.00 0.00 -0.80 0.00 0.00 34.13 33.35 2k2o s GLU 929 CO 0.03 -0.08 0.02 0.12 -1.33 0.00 0.00 175.26 174.01 2k2o s PHE 930 N -1.05 0.06 0.06 4.83 5.36 -0.11 -4.96 117.98 122.17 2k2o s PHE 930 Ca -0.11 -0.13 -0.30 0.00 -0.96 0.00 0.00 56.93 55.43 2k2o s PHE 930 Cb -0.06 -0.06 -0.05 0.00 -0.34 0.00 0.00 43.02 42.51 2k2o s PHE 930 CO 0.01 -0.09 1.15 0.99 -1.46 0.00 0.00 175.22 175.82 2k2o s THR 931 N -0.55 4.17 0.22 0.12 2.01 -1.26 -1.33 115.64 119.01 2k2o s THR 931 Ca -0.06 1.58 0.06 0.00 0.31 0.00 0.00 61.69 63.58 2k2o s THR 931 Cb -0.04 -4.01 -0.04 0.00 0.01 0.00 0.00 72.50 68.42 2k2o s THR 931 CO -0.00 0.14 0.17 -0.62 -0.69 0.00 0.00 174.62 173.61 2k2o s ASP 932 N 0.95 5.48 0.06 3.53 -1.08 -0.41 -4.93 116.67 120.27 2k2o s ASP 932 Ca 0.57 -0.22 -0.13 0.00 -0.52 0.00 0.00 52.55 52.25 2k2o s ASP 932 Cb -0.28 -1.39 0.02 0.00 -1.46 0.00 0.00 42.92 39.80 2k2o s ASP 932 CO 0.29 0.00 0.28 -1.83 0.52 0.00 0.00 175.17 174.44 2k2o s GLU 933 N -3.56 0.84 -0.19 4.34 -1.05 -1.26 -1.35 118.70 116.47 2k2o s GLU 933 Ca 0.32 -0.63 -0.11 0.00 -0.15 0.00 0.00 54.97 54.40 2k2o s GLU 933 Cb -0.09 0.36 0.06 0.00 -0.44 0.00 0.00 34.13 34.02 2k2o s GLU 933 CO 0.24 -0.27 0.47 0.54 0.95 0.00 0.00 175.26 177.18 2k2o s VAL 934 N -2.97 -0.02 0.37 1.83 0.11 -0.67 -4.94 120.40 114.11 2k2o s VAL 934 Ca -0.02 0.07 -0.23 0.00 -2.93 0.00 0.00 61.98 58.87 2k2o s VAL 934 Cb 0.01 -0.69 -0.10 0.00 -1.53 0.00 0.00 36.38 34.07 2k2o s VAL 934 CO -0.06 0.03 0.93 -0.31 -3.33 0.00 0.00 175.10 172.36 2k2o s TYR 935 N 1.40 3.51 -0.27 1.54 2.02 -0.81 -1.11 117.35 123.62 2k2o s TYR 935 Ca -0.09 1.68 -0.01 0.00 -0.37 0.00 0.00 57.07 58.28 2k2o s TYR 935 Cb -0.08 -2.87 0.04 0.00 -0.40 0.00 0.00 41.96 38.66 2k2o s TYR 935 CO -0.14 0.07 -0.05 -1.14 -1.57 0.00 0.00 175.55 172.72 2k2o s GLN 936 N -2.59 2.51 -0.03 -0.62 0.74 -0.42 -2.07 119.66 117.17 2k2o s GLN 936 Ca 0.55 -1.20 0.02 0.00 0.05 0.00 0.00 55.36 54.79 2k2o s GLN 936 Cb -0.14 -3.04 -0.03 0.00 1.10 0.00 0.00 33.01 30.90 2k2o s GLN 936 CO 0.19 -0.54 -0.07 -0.80 -0.55 0.00 0.00 175.29 173.52 2k2o s ASN 937 N 1.24 4.65 0.09 6.67 0.01 -0.21 -2.41 114.94 124.99 2k2o s ASN 937 Ca -0.04 -0.08 -0.03 0.00 -0.71 0.00 0.00 52.86 52.00 2k2o s ASN 937 Cb -0.19 -1.13 -0.03 0.00 0.41 0.00 0.00 41.25 40.31 2k2o s ASN 937 CO -0.03 0.32 0.06 -1.61 -1.51 0.00 0.00 177.10 174.33 2k2o s GLU 938 N -1.13 0.79 0.08 -0.60 2.02 -0.54 -3.15 118.70 116.18 2k2o s GLU 938 Ca 0.15 -1.24 -0.13 0.00 0.02 0.00 0.00 54.97 53.77 2k2o s GLU 938 Cb -0.11 0.26 0.02 0.00 0.10 0.00 0.00 34.13 34.39 2k2o s GLU 938 CO 0.05 -0.21 0.30 -1.54 0.02 0.00 0.00 175.26 173.88 2k2o s SER 939 N -2.95 -0.09 0.09 -0.19 1.04 -0.19 -1.35 113.70 110.05 2k2o s SER 939 Ca 0.13 -0.35 -0.12 0.00 0.48 0.00 0.00 55.95 56.09 2k2o s SER 939 Cb 0.07 0.39 0.02 0.00 0.10 0.00 0.00 66.02 66.59 2k2o s SER 939 CO -0.06 -0.71 0.29 0.00 0.98 0.00 0.00 173.24 173.74 2k2o s ARG 940 N -3.26 0.91 0.81 4.02 1.70 -0.20 -1.31 118.95 121.61 2k2o s ARG 940 Ca -0.00 -0.75 -0.12 0.00 -0.47 0.00 0.00 55.73 54.39 2k2o s ARG 940 Cb 0.02 0.39 0.08 0.00 -0.57 0.00 0.00 34.95 34.86 2k2o s ARG 940 CO -0.08 -0.31 1.12 0.71 -1.08 0.00 0.00 175.30 175.65 2k2o s TYR 941 N -3.48 2.87 -0.83 5.89 2.02 -1.26 -4.36 117.35 118.20 2k2o s TYR 941 Ca 0.01 1.02 -0.25 0.00 -0.37 0.00 0.00 57.07 57.48 2k2o s TYR 941 Cb 0.02 -3.22 -0.08 0.00 -0.40 0.00 0.00 41.96 38.28 2k2o s TYR 941 CO -0.09 -1.79 2.14 -2.14 -1.57 0.00 0.00 175.55 172.09 2k2o s PRO 942 N -5.27 2.17 0.00 -1.71 0.02 -1.26 -0.53 135.00 128.41 2k2o s PRO 942 Ca 0.61 0.10 0.00 0.00 0.02 0.00 0.00 61.00 61.73 2k2o s PRO 942 Cb -0.13 -4.91 0.00 0.00 0.02 0.00 0.00 34.50 29.47 2k2o s PRO 942 CO 0.53 -3.77 0.00 0.41 -0.33 0.00 0.00 177.00 173.84 2k2o n GLY 943 N 6.77 0.82 3.12 0.52 0.00 -1.26 -5.02 105.19 110.13 2k2o n GLY 943 Ca 0.42 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.26 2k2o n GLY 943 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k2o n GLY 944 N 0.00 2.25 3.54 -0.02 0.00 0.31 -5.13 105.19 106.14 2k2o n GLY 944 Ca 0.00 -2.23 -0.25 0.00 0.00 0.00 0.00 46.02 43.54 2k2o n GLY 944 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2k2o s ASP 945 N -3.79 3.82 0.27 1.61 2.15 -1.26 -4.65 116.67 114.81 2k2o s ASP 945 Ca 0.41 -1.08 -0.30 0.00 0.43 0.00 0.00 52.55 52.01 2k2o s ASP 945 Cb -0.03 -0.40 -0.10 0.00 -0.30 0.00 0.00 42.92 42.09 2k2o s ASP 945 CO 0.26 -0.13 1.46 0.26 -0.17 0.00 0.00 175.17 176.85 2k2o s TRP 946 N -2.55 2.96 0.24 -5.34 0.52 -1.26 -4.40 118.94 109.11 2k2o s TRP 946 Ca 0.32 1.02 0.01 0.00 0.02 0.00 0.00 56.10 57.47 2k2o s TRP 946 Cb -0.01 -3.86 -0.04 0.00 -1.15 0.00 0.00 33.47 28.41 2k2o s TRP 946 CO 0.17 -2.77 0.15 0.15 0.02 0.00 0.00 176.95 174.67 2k2o s LYS 947 N -0.58 1.35 -0.05 4.98 1.02 -0.43 -4.87 119.74 121.16 2k2o s LYS 947 Ca 0.59 -1.73 -0.36 0.00 0.02 0.00 0.00 55.97 54.48 2k2o s LYS 947 Cb -0.43 0.17 -0.14 0.00 -0.52 0.00 0.00 37.83 36.91 2k2o s LYS 947 CO 0.46 -0.42 1.69 -2.30 -0.92 0.00 0.00 175.35 173.85 2k2o n PRO 948 N -0.38 1.74 0.02 -1.68 -0.02 -1.26 -1.02 135.00 132.40 2k2o n PRO 948 Ca 0.02 0.63 -0.03 0.00 -2.02 0.00 0.00 63.50 62.11 2k2o n PRO 948 Cb 0.65 -2.39 -0.02 0.00 -0.02 0.00 0.00 33.50 31.73 2k2o n PRO 948 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2k2o h ALA 949 N 7.17 -0.66 0.00 3.55 0.00 -1.80 -3.41 119.26 124.11 2k2o h ALA 949 Ca -0.47 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2k2o h ALA 949 Cb 1.29 0.48 0.00 0.00 0.00 0.00 0.00 17.79 19.56 2k2o h ALA 949 CO 0.91 -0.68 0.00 -0.85 0.00 0.00 0.00 179.25 178.63 2k2o n GLU 950 N -2.89 0.00 -4.12 0.00 0.28 -1.26 -4.75 120.64 107.89 2k2o n GLU 950 Ca -0.01 0.00 -0.23 0.00 -0.16 0.00 0.00 57.16 56.76 2k2o n GLU 950 Cb 0.07 0.00 -0.17 0.00 1.43 0.00 0.00 31.44 32.77 2k2o n GLU 950 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 2k2o s ASP 951 N -2.00 1.48 0.02 -1.84 1.01 -1.26 -5.08 116.67 109.00 2k2o s ASP 951 Ca 0.00 -0.19 -0.27 0.00 0.71 0.00 0.00 52.55 52.80 2k2o s ASP 951 Cb 0.00 -0.60 -0.15 0.00 1.01 0.00 0.00 42.92 43.17 2k2o s ASP 951 CO 0.00 -0.08 1.17 0.74 0.21 0.00 0.00 175.17 177.21 2k2o h THR 952 N 6.15 0.17 -3.19 -1.27 2.02 -1.94 -3.42 112.91 111.43 2k2o h THR 952 Ca -0.31 -0.34 -0.62 0.00 0.77 0.00 0.00 66.41 65.91 2k2o h THR 952 Cb 1.15 0.23 -0.13 0.00 -1.74 0.00 0.00 68.15 67.66 2k2o h THR 952 CO 0.42 0.02 -0.53 -0.31 0.37 0.00 0.00 175.52 175.49 2k2o s TYR 953 N -4.77 3.35 0.32 3.16 2.02 -1.26 -1.04 117.35 119.12 2k2o s TYR 953 Ca -0.14 0.23 0.04 0.00 -0.37 0.00 0.00 57.07 56.82 2k2o s TYR 953 Cb 0.02 -2.06 -0.02 0.00 -0.40 0.00 0.00 41.96 39.49 2k2o s TYR 953 CO 0.46 0.31 0.31 0.95 -1.57 0.00 0.00 175.55 176.01 2k2o s THR 954 N 0.06 0.00 0.45 -0.71 -4.23 -0.88 -0.80 115.64 109.53 2k2o s THR 954 Ca 0.07 -1.89 0.08 0.00 -1.18 0.00 0.00 61.69 58.77 2k2o s THR 954 Cb -0.12 -2.53 0.02 0.00 1.34 0.00 0.00 72.50 71.21 2k2o s THR 954 CO 0.00 0.00 0.59 -0.62 -0.54 0.00 0.00 174.62 174.05 2k2o s ASP 955 N -3.31 5.51 0.39 3.99 -1.08 0.01 -1.93 116.67 120.25 2k2o s ASP 955 Ca 0.38 -0.53 0.16 0.00 -0.52 0.00 0.00 52.55 52.04 2k2o s ASP 955 Cb 0.02 -0.49 1.03 0.00 -1.46 0.00 0.00 42.92 42.02 2k2o s ASP 955 CO 0.24 -0.85 1.82 0.00 0.52 0.00 0.00 175.17 176.90 2k2o h ALA 956 N 0.60 2.12 -0.01 3.66 0.00 -1.97 -1.03 119.26 122.63 2k2o h ALA 956 Ca -0.38 0.04 -0.27 0.00 0.00 0.00 0.00 54.91 54.30 2k2o h ALA 956 Cb 1.28 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 19.07 2k2o h ALA 956 CO 0.45 -0.45 -1.04 -0.91 0.00 0.00 0.00 179.25 177.31 2k2o h ASN 957 N 0.47 0.92 0.00 0.00 2.35 -2.01 -3.47 115.58 113.84 2k2o h ASN 957 Ca 0.52 -0.73 0.00 0.00 -0.55 0.00 0.00 56.30 55.54 2k2o h ASN 957 Cb 1.21 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 39.30 2k2o h ASN 957 CO -0.24 1.53 0.00 0.61 -1.65 0.00 0.00 177.43 177.68 2k2o n GLY 958 N 1.07 0.45 3.56 2.83 0.00 -0.39 -5.06 105.19 107.65 2k2o n GLY 958 Ca -0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 2k2o n GLY 958 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2k2o n ASP 959 N 0.00 2.63 -4.63 1.61 9.92 -1.26 -4.49 116.55 120.33 2k2o n ASP 959 Ca 0.00 -0.10 -0.51 0.00 -0.53 0.00 0.00 54.79 53.66 2k2o n ASP 959 Cb 0.00 -1.52 -0.05 0.00 -0.64 0.00 0.00 41.12 38.91 2k2o n ASP 959 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 2k2o n LYS 960 N 8.81 1.53 -2.40 -1.24 4.81 -1.26 -0.81 118.16 127.60 2k2o n LYS 960 Ca 0.36 0.55 -0.07 0.00 -0.87 0.00 0.00 58.31 58.27 2k2o n LYS 960 Cb 0.46 -2.25 -0.01 0.00 0.02 0.00 0.00 35.03 33.24 2k2o n LYS 960 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2k2o n ALA 961 N 3.39 0.15 -1.98 3.14 0.00 0.02 -4.90 120.51 120.35 2k2o n ALA 961 Ca 0.19 -0.56 -0.30 0.00 0.00 0.00 0.00 53.44 52.77 2k2o n ALA 961 Cb 0.22 0.27 -0.00 0.00 0.00 0.00 0.00 19.45 19.94 2k2o n ALA 961 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k2o s ALA 962 N -2.21 3.18 0.46 0.00 0.00 -1.26 -4.66 121.76 117.27 2k2o s ALA 962 Ca 0.03 -0.16 -0.18 0.00 0.00 0.00 0.00 51.96 51.66 2k2o s ALA 962 Cb -0.00 -2.95 -0.09 0.00 0.00 0.00 0.00 23.12 20.07 2k2o s ALA 962 CO 0.02 -0.52 0.95 -1.54 0.00 0.00 0.00 175.76 174.67 2k2o s SER 963 N -3.97 6.77 0.43 0.00 1.04 -1.26 -4.81 113.70 111.89 2k2o s SER 963 Ca 0.54 1.59 0.26 0.00 0.48 0.00 0.00 55.95 58.81 2k2o s SER 963 Cb -0.11 -2.51 1.31 0.00 0.10 0.00 0.00 66.02 64.82 2k2o s SER 963 CO 0.48 -0.46 1.70 -0.65 0.98 0.00 0.00 173.24 175.29 2k2o h PRO 964 N 1.45 0.20 -0.01 4.02 0.10 -1.97 0.22 132.00 136.01 2k2o h PRO 964 Ca -0.48 -0.01 -0.08 0.00 0.10 0.00 0.00 66.00 65.53 2k2o h PRO 964 Cb 1.18 -0.04 0.01 0.00 0.10 0.00 0.00 31.00 32.24 2k2o h PRO 964 CO 0.62 0.13 -0.31 0.77 0.10 0.00 0.00 178.00 179.31 2k2o h SER 965 N 0.20 0.29 0.23 -2.05 0.02 -2.04 -2.94 113.55 107.27 2k2o h SER 965 Ca 0.70 -0.75 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 2k2o h SER 965 Cb 2.13 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 64.58 2k2o h SER 965 CO -0.32 1.00 0.00 -0.62 -1.14 0.00 0.00 176.83 175.75 2k2o n GLU 966 N -4.46 0.22 -3.11 3.45 4.71 -0.12 -4.66 120.64 116.67 2k2o n GLU 966 Ca -0.10 0.14 -0.42 0.00 -0.01 0.00 0.00 57.16 56.78 2k2o n GLU 966 Cb 0.52 -1.50 -0.07 0.00 -1.01 0.00 0.00 31.44 29.39 2k2o n GLU 966 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 2k2o s LEU 967 N -2.51 4.26 0.45 -4.62 1.43 0.60 -4.80 118.68 113.48 2k2o s LEU 967 Ca 0.14 0.15 0.05 0.00 -1.03 0.00 0.00 54.13 53.44 2k2o s LEU 967 Cb 0.09 -2.78 -0.04 0.00 0.03 0.00 0.00 46.19 43.48 2k2o s LEU 967 CO 0.20 -0.59 0.09 0.42 0.23 0.00 0.00 176.35 176.71 2k2o s THR 968 N 2.70 1.84 -0.01 5.49 -4.23 -1.26 -4.94 115.64 115.23 2k2o s THR 968 Ca 0.24 -1.86 -0.11 0.00 -1.18 0.00 0.00 61.69 58.78 2k2o s THR 968 Cb -0.14 -2.70 -0.05 0.00 1.34 0.00 0.00 72.50 70.94 2k2o s THR 968 CO 0.15 0.00 0.32 0.00 -0.54 0.00 0.00 174.62 174.55 2k2o s PRO 970 N -1.29 2.11 -0.47 0.00 0.04 -1.26 -4.92 135.00 129.21 2k2o s PRO 970 Ca 0.24 -0.22 -0.27 0.00 0.04 0.00 0.00 61.00 60.79 2k2o s PRO 970 Cb -0.15 -2.13 -0.04 0.00 0.04 0.00 0.00 34.50 32.22 2k2o s PRO 970 CO 0.12 -1.33 2.12 -2.14 0.04 0.00 0.00 177.00 175.82 2k2o s PRO 971 N -5.31 2.57 0.00 0.56 0.02 -1.26 -1.17 135.00 130.41 2k2o s PRO 971 Ca 0.61 1.23 0.00 0.00 0.02 0.00 0.00 61.00 62.86 2k2o s PRO 971 Cb -0.10 -4.44 0.00 0.00 0.02 0.00 0.00 34.50 29.97 2k2o s PRO 971 CO 0.46 -2.76 0.00 0.41 -0.33 0.00 0.00 177.00 174.78 2k2o n GLY 972 N 5.79 0.96 2.95 0.52 0.00 -1.25 -5.02 105.19 109.15 2k2o n GLY 972 Ca 0.29 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.14 2k2o n GLY 972 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2k2o s TRP 973 N -1.39 0.52 0.04 1.61 0.52 -0.32 -4.45 118.94 115.48 2k2o s TRP 973 Ca 0.00 -0.10 0.05 0.00 0.02 0.00 0.00 56.10 56.07 2k2o s TRP 973 Cb 0.00 -0.37 -0.02 0.00 -1.15 0.00 0.00 33.47 31.93 2k2o s TRP 973 CO 0.00 -0.04 -0.15 -2.00 0.02 0.00 0.00 176.95 174.79 2k2o s GLU 974 N 0.06 0.98 0.41 4.98 2.56 0.23 -4.03 118.70 123.89 2k2o s GLU 974 Ca -0.00 -0.77 -0.13 0.00 0.00 0.00 0.00 54.97 54.07 2k2o s GLU 974 Cb -0.04 -1.00 -0.07 0.00 2.00 0.00 0.00 34.13 35.02 2k2o s GLU 974 CO -0.00 0.25 0.81 -1.58 -0.56 0.00 0.00 175.26 174.18 2k2o s TRP 975 N -0.84 3.45 0.00 5.30 0.52 -1.26 -0.89 118.94 125.21 2k2o s TRP 975 Ca 0.02 1.17 0.00 0.00 0.02 0.00 0.00 56.10 57.31 2k2o s TRP 975 Cb -0.08 -2.54 0.00 0.00 -1.15 0.00 0.00 33.47 29.70 2k2o s TRP 975 CO 0.01 -0.13 0.00 -1.91 0.02 0.00 0.00 176.95 174.94 2k2o n GLU 976 N -1.19 0.60 -2.33 4.98 2.13 -1.24 -4.83 120.64 118.76 2k2o n GLU 976 Ca 0.04 0.00 -0.33 0.00 0.66 0.00 0.00 57.16 57.52 2k2o n GLU 976 Cb 0.54 -0.77 -0.01 0.00 0.27 0.00 0.00 31.44 31.46 2k2o n GLU 976 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 2k2o s ASP 977 N -3.15 6.10 -0.03 4.31 -1.08 -1.20 -5.00 116.67 116.61 2k2o s ASP 977 Ca 0.00 1.89 0.12 0.00 -0.52 0.00 0.00 52.55 54.03 2k2o s ASP 977 Cb 0.00 -2.55 -0.23 0.00 -1.46 0.00 0.00 42.92 38.68 2k2o s ASP 977 CO 0.00 -0.95 0.72 -0.78 0.52 0.00 0.00 175.17 174.67 2k2o h ASP 978 N 1.08 0.01 -3.59 -0.34 3.58 -1.97 -3.48 116.42 111.70 2k2o h ASP 978 Ca -0.48 -0.02 0.03 0.00 0.42 0.00 0.00 57.03 56.97 2k2o h ASP 978 Cb 1.22 -0.00 -0.24 0.00 1.72 0.00 0.00 39.33 42.03 2k2o h ASP 978 CO 0.58 1.02 0.36 0.00 -2.88 0.00 0.00 179.24 178.32 2k2o s ALA 979 N -2.61 -1.90 0.07 -0.78 0.00 -1.26 -5.12 121.76 110.15 2k2o s ALA 979 Ca -0.04 1.87 -0.31 0.00 0.00 0.00 0.00 51.96 53.48 2k2o s ALA 979 Cb 0.08 -1.23 -0.09 0.00 0.00 0.00 0.00 23.12 21.88 2k2o s ALA 979 CO 0.82 -0.28 1.74 -1.58 0.00 0.00 0.00 175.76 176.47 2k2o s TRP 980 N 0.09 2.14 0.00 0.00 0.52 -1.26 -4.85 118.94 115.58 2k2o s TRP 980 Ca 0.01 0.11 0.00 0.00 0.02 0.00 0.00 56.10 56.24 2k2o s TRP 980 Cb -0.04 -4.06 0.00 0.00 -1.15 0.00 0.00 33.47 28.22 2k2o s TRP 980 CO -0.03 -4.37 0.00 0.43 0.02 0.00 0.00 176.95 173.00 2k2o n SER 981 N 6.05 1.63 -4.38 2.95 7.64 -0.88 -4.79 113.62 121.83 2k2o n SER 981 Ca 0.17 -0.55 -0.29 0.00 1.01 0.00 0.00 58.87 59.20 2k2o n SER 981 Cb 0.40 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.47 2k2o n SER 981 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 2k2o s TYR 982 N 0.18 2.33 -0.33 1.43 1.13 -1.26 -0.99 117.35 119.84 2k2o s TYR 982 Ca 0.00 -0.38 -0.16 0.00 -1.41 0.00 0.00 57.07 55.12 2k2o s TYR 982 Cb 0.00 -1.30 -0.02 0.00 -1.10 0.00 0.00 41.96 39.54 2k2o s TYR 982 CO 0.00 0.28 0.39 0.34 -2.51 0.00 0.00 175.55 174.05 2k2o s ASP 983 N -1.81 6.22 -0.12 -0.18 2.15 -0.51 -4.86 116.67 117.56 2k2o s ASP 983 Ca 0.14 -0.09 0.16 0.00 0.43 0.00 0.00 52.55 53.18 2k2o s ASP 983 Cb -0.10 -2.21 0.57 0.00 -0.30 0.00 0.00 42.92 40.88 2k2o s ASP 983 CO 0.05 -0.34 1.49 2.30 -0.17 0.00 0.00 175.17 178.50 2k2o n ILE 984 N 5.25 1.88 -1.14 4.11 -5.35 -1.26 -4.48 119.36 118.37 2k2o n ILE 984 Ca -0.08 -1.40 -0.28 0.00 -0.27 0.00 0.00 62.75 60.73 2k2o n ILE 984 Cb 0.50 0.05 0.08 0.00 -1.74 0.00 0.00 39.64 38.53 2k2o n ILE 984 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 2k2o n ASN 985 N 0.41 6.74 -2.53 7.28 4.13 -1.26 -4.83 115.26 125.20 2k2o n ASN 985 Ca 0.21 -3.53 -0.13 0.00 1.68 0.00 0.00 54.58 52.81 2k2o n ASN 985 Cb 0.81 -0.97 -0.05 0.00 -1.54 0.00 0.00 39.78 38.03 2k2o n ASN 985 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2k2o n ARG 986 N -0.58 0.30 -2.65 3.52 1.74 -1.26 -5.05 116.66 112.69 2k2o n ARG 986 Ca 0.52 -2.27 -0.42 0.00 -0.77 0.00 0.00 57.85 54.91 2k2o n ARG 986 Cb 0.77 1.89 -0.02 0.00 -1.02 0.00 0.00 32.46 34.09 2k2o n ARG 986 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2k2o s ALA 987 N -2.89 3.11 0.05 7.54 0.00 -1.26 -4.93 121.76 123.38 2k2o s ALA 987 Ca 0.27 -2.64 0.02 0.00 0.00 0.00 0.00 51.96 49.61 2k2o s ALA 987 Cb 0.01 -4.48 -0.03 0.00 0.00 0.00 0.00 23.12 18.63 2k2o s ALA 987 CO 0.19 -3.36 -0.08 0.14 0.00 0.00 0.00 175.76 172.65 2k2o s VAL 988 N 4.14 0.57 1.12 0.00 -7.23 -1.26 -2.47 120.40 115.27 2k2o s VAL 988 Ca 0.47 -1.15 -0.18 0.00 -1.81 0.00 0.00 61.98 59.31 2k2o s VAL 988 Cb 0.01 -0.71 0.12 0.00 0.56 0.00 0.00 36.38 36.36 2k2o s VAL 988 CO -0.03 -0.42 0.12 -0.67 -0.31 0.00 0.00 175.10 173.79 2k2o n ASP 989 N 1.34 -2.30 -0.13 4.85 2.03 0.89 -4.72 116.55 118.50 2k2o n ASP 989 Ca -0.22 -0.10 0.14 0.00 0.52 0.00 0.00 54.79 55.12 2k2o n ASP 989 Cb 0.55 -1.00 0.50 0.00 -0.72 0.00 0.00 41.12 40.45 2k2o n ASP 989 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 2k2o h GLU 990 N -2.10 0.42 -0.61 -0.67 5.08 -1.91 0.26 114.58 115.05 2k2o h GLU 990 Ca -0.54 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.80 2k2o h GLU 990 Cb 1.35 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.51 2k2o h GLU 990 CO 0.39 0.28 0.00 1.63 -1.00 0.00 0.00 179.01 180.31 2k2o n LYS 991 N -4.47 2.69 -2.23 2.33 5.02 -1.26 -4.94 118.16 115.29 2k2o n LYS 991 Ca 0.12 -2.22 -0.03 0.00 -2.02 0.00 0.00 58.31 54.17 2k2o n LYS 991 Cb 0.45 -1.58 0.00 0.00 -0.02 0.00 0.00 35.03 33.89 2k2o n LYS 991 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2k2o n GLY 992 N 1.29 -0.96 3.07 0.72 0.00 0.92 -5.00 105.19 105.22 2k2o n GLY 992 Ca 0.20 0.50 -0.12 0.00 0.00 0.00 0.00 46.02 46.60 2k2o n GLY 992 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2k2o s TRP 993 N -2.10 -0.36 0.14 1.61 0.52 -1.25 -4.57 118.94 112.93 2k2o s TRP 993 Ca 0.10 0.85 0.04 0.00 0.02 0.00 0.00 56.10 57.10 2k2o s TRP 993 Cb -0.03 0.06 -0.04 0.00 -1.15 0.00 0.00 33.47 32.31 2k2o s TRP 993 CO 0.40 -0.25 0.19 -1.83 0.02 0.00 0.00 176.95 175.47 2k2o s GLU 994 N 1.38 3.13 -0.17 4.98 -1.05 -0.27 -0.08 118.70 126.61 2k2o s GLU 994 Ca -0.08 -0.72 -0.03 0.00 -0.15 0.00 0.00 54.97 53.98 2k2o s GLU 994 Cb -0.10 -2.80 -0.02 0.00 -0.44 0.00 0.00 34.13 30.77 2k2o s GLU 994 CO -0.09 0.52 -0.04 1.52 0.95 0.00 0.00 175.26 178.11 2k2o s TYR 995 N -1.69 2.99 -0.00 4.83 -0.85 -0.07 -2.90 117.35 119.66 2k2o s TYR 995 Ca 0.32 -0.45 0.05 0.00 -0.52 0.00 0.00 57.07 56.48 2k2o s TYR 995 Cb -0.11 -1.98 -0.02 0.00 0.38 0.00 0.00 41.96 40.23 2k2o s TYR 995 CO 0.25 -0.16 -0.17 0.20 -1.52 0.00 0.00 175.55 174.16 2k2o s GLY 996 N 0.61 0.84 -0.03 5.49 0.00 -0.34 -2.74 107.32 111.15 2k2o s GLY 996 Ca -0.03 -0.76 0.07 0.00 0.00 0.00 0.00 44.72 43.99 2k2o s GLY 996 CO 0.03 -0.66 -0.24 -0.26 0.00 0.00 0.00 173.10 171.97 2k2o s ILE 997 N -0.49 1.91 0.00 0.90 -4.36 -1.26 -1.08 121.20 116.83 2k2o s ILE 997 Ca 0.06 -1.02 -0.08 0.00 -0.26 0.00 0.00 60.65 59.35 2k2o s ILE 997 Cb -0.07 -1.59 0.00 0.00 1.25 0.00 0.00 42.46 42.05 2k2o s ILE 997 CO -0.00 0.54 0.15 0.28 0.24 0.00 0.00 174.94 176.14 2k2o s THR 998 N -0.44 0.08 -0.45 8.37 -1.32 -1.26 -4.16 115.64 116.46 2k2o s THR 998 Ca 0.06 -0.70 -0.08 0.00 -1.21 0.00 0.00 61.69 59.76 2k2o s THR 998 Cb -0.10 -0.47 0.11 0.00 -1.51 0.00 0.00 72.50 70.53 2k2o s THR 998 CO 0.00 -0.38 0.31 -0.63 -2.21 0.00 0.00 174.62 171.70 2k2o s ILE 999 N -1.46 4.02 0.19 5.08 1.09 -1.26 -4.89 121.20 123.97 2k2o s ILE 999 Ca -0.14 -1.79 -0.30 0.00 -1.10 0.00 0.00 60.65 57.31 2k2o s ILE 999 Cb -0.07 -3.64 -0.08 0.00 -1.06 0.00 0.00 42.46 37.60 2k2o s ILE 999 CO 0.01 -0.72 1.28 -2.16 -0.10 0.00 0.00 174.94 173.25 2k2o s PRO 1000N 1.32 4.41 0.16 2.79 0.04 -1.26 -3.46 135.00 139.00 2k2o s PRO 1000Ca 0.06 2.00 -0.05 0.00 0.04 0.00 0.00 61.00 63.05 2k2o s PRO 1000Cb -0.25 -3.21 -0.06 0.00 0.04 0.00 0.00 34.50 31.02 2k2o s PRO 1000CO -0.01 -0.22 0.40 -1.25 0.04 0.00 0.00 177.00 175.96 2k2o s PRO 1001N -0.07 3.64 0.00 0.56 0.05 -1.26 -5.15 135.00 132.77 2k2o s PRO 1001Ca 0.56 -0.04 0.00 0.00 0.05 0.00 0.00 61.00 61.57 2k2o s PRO 1001Cb -0.35 -2.82 0.00 0.00 0.05 0.00 0.00 34.50 31.38 2k2o s PRO 1001CO 0.37 0.44 0.00 -3.47 0.05 0.00 0.00 177.00 174.40 2k2o n ASP 1002N 0.04 0.00 0.00 6.66 2.03 -1.22 -5.12 116.55 118.93 2k2o n ASP 1002Ca -0.02 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.29 2k2o n ASP 1002Cb 0.52 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.92 2k2o n ASP 1002CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 2k2o n HIS 1003N -0.35 0.00 -3.75 -0.67 8.25 -1.26 -5.15 115.22 112.29 2k2o n HIS 1003Ca 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.36 2k2o n HIS 1003Cb 0.00 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.05 2k2o n HIS 1003CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 2k2o s LYS 1004N 0.00 1.02 0.45 -0.41 1.02 -1.26 -5.09 119.74 115.47 2k2o s LYS 1004Ca 0.00 -0.85 -0.24 0.00 0.02 0.00 0.00 55.97 54.90 2k2o s LYS 1004Cb 0.00 0.42 -0.09 0.00 -0.52 0.00 0.00 37.83 37.64 2k2o s LYS 1004CO 0.00 -0.38 1.22 -2.30 -0.92 0.00 0.00 175.35 172.97 2k2o n PRO 1005N -0.17 1.74 -0.04 -1.68 -0.02 -1.26 -4.91 135.00 128.66 2k2o n PRO 1005Ca -0.15 0.62 0.02 0.00 -2.02 0.00 0.00 63.50 61.97 2k2o n PRO 1005Cb 0.63 -2.33 0.02 0.00 -0.02 0.00 0.00 33.50 31.80 2k2o n PRO 1005CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2k2o n LYS 1006N -0.12 2.00 -3.95 -0.52 4.76 -1.26 -4.94 118.16 114.12 2k2o n LYS 1006Ca 0.08 -1.47 -0.20 0.00 -2.87 0.00 0.00 58.31 53.85 2k2o n LYS 1006Cb 0.41 -0.97 -0.17 0.00 -1.84 0.00 0.00 35.03 32.46 2k2o n LYS 1006CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2k2o s SER 1007N -1.13 1.00 -0.03 4.39 0.15 -1.26 -5.12 113.70 111.71 2k2o s SER 1007Ca 0.05 -0.08 0.01 0.00 0.70 0.00 0.00 55.95 56.64 2k2o s SER 1007Cb 0.05 -0.37 0.02 0.00 -1.71 0.00 0.00 66.02 64.01 2k2o s SER 1007CO 0.01 -0.12 -0.02 0.26 1.20 0.00 0.00 173.24 174.56 2k2o s TRP 1008N 1.33 0.43 0.30 3.44 0.52 -1.22 -3.53 118.94 120.20 2k2o s TRP 1008Ca -0.05 -0.06 -0.04 0.00 0.02 0.00 0.00 56.10 55.97 2k2o s TRP 1008Cb -0.13 -0.42 0.02 0.00 -1.15 0.00 0.00 33.47 31.78 2k2o s TRP 1008CO -0.02 -0.11 0.46 0.28 0.02 0.00 0.00 176.95 177.58 2k2o n VAL 1009N 3.80 0.00 -1.87 4.03 0.31 -1.11 -4.84 118.33 118.65 2k2o n VAL 1009Ca -0.23 -1.34 -0.43 0.00 -0.01 0.00 0.00 64.34 62.33 2k2o n VAL 1009Cb 0.53 0.90 -0.03 0.00 -0.91 0.00 0.00 33.84 34.32 2k2o n VAL 1009CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2k2o s ALA 1010N -2.43 2.81 -0.37 3.52 0.00 -1.03 -0.89 121.76 123.36 2k2o s ALA 1010Ca 0.22 0.41 -0.33 0.00 0.00 0.00 0.00 51.96 52.26 2k2o s ALA 1010Cb -0.02 -4.04 -0.10 0.00 0.00 0.00 0.00 23.12 18.96 2k2o s ALA 1010CO 0.16 -2.71 2.24 0.00 0.00 0.00 0.00 175.76 175.45 2k2o n ALA 1011N 10.80 1.13 0.00 0.00 0.00 -1.17 -4.74 120.51 126.53 2k2o n ALA 1011Ca 0.25 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.51 2k2o n ALA 1011Cb 0.46 -2.66 0.00 0.00 0.00 0.00 0.00 19.45 17.25 2k2o n ALA 1011CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2k2o n GLU 1012N 8.39 0.00 -2.70 0.00 0.28 -1.26 -4.62 120.64 120.73 2k2o n GLU 1012Ca 0.40 0.00 -0.35 0.00 -0.16 0.00 0.00 57.16 57.05 2k2o n GLU 1012Cb 0.28 -0.37 -0.06 0.00 1.43 0.00 0.00 31.44 32.73 2k2o n GLU 1012CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 177.13 175.38 2k2o s LYS 1013N -1.93 4.24 0.21 3.44 -2.85 -1.26 -4.98 119.74 116.62 2k2o s LYS 1013Ca 0.00 1.31 -0.08 0.00 -1.00 0.00 0.00 55.97 56.19 2k2o s LYS 1013Cb 0.00 -2.42 0.16 0.00 -2.06 0.00 0.00 37.83 33.51 2k2o s LYS 1013CO 0.00 -0.04 1.80 1.98 0.10 0.00 0.00 175.35 179.19 2k2o h MET 1014N 2.33 1.14 0.00 1.78 1.85 -2.02 -2.88 114.93 117.14 2k2o h MET 1014Ca -0.48 -0.17 0.00 0.00 -0.61 0.00 0.00 59.70 58.43 2k2o h MET 1014Cb 1.20 -0.20 0.00 0.00 0.43 0.00 0.00 31.60 33.02 2k2o h MET 1014CO 0.62 0.89 0.00 0.66 -0.40 0.00 0.00 176.91 178.68 2k2o n TYR 1015N -4.35 0.00 -2.84 1.39 4.02 -1.26 -4.58 117.16 109.54 2k2o n TYR 1015Ca 0.07 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.55 2k2o n TYR 1015Cb 0.14 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.43 2k2o n TYR 1015CO 0.00 0.00 0.00 -3.38 -1.01 0.00 0.00 176.86 172.47 2k2o s HIS 1016N -2.00 3.57 -0.79 -0.72 -3.43 -1.09 -4.77 115.29 106.06 2k2o s HIS 1016Ca 0.15 1.46 0.20 0.00 -0.80 0.00 0.00 55.06 56.07 2k2o s HIS 1016Cb 0.07 -3.01 -0.23 0.00 -1.43 0.00 0.00 32.58 27.97 2k2o s HIS 1016CO 0.11 -0.05 0.78 0.25 -2.00 0.00 0.00 174.74 173.83 2k2o n THR 1017N 4.12 0.00 -3.91 -5.38 -2.24 -1.04 -4.81 114.28 101.01 2k2o n THR 1017Ca 0.04 -0.10 -0.11 0.00 -2.27 0.00 0.00 64.05 61.61 2k2o n THR 1017Cb 0.50 0.85 -0.13 0.00 -2.10 0.00 0.00 70.33 69.46 2k2o n THR 1017CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 2k2o s HIS 1018N -2.94 0.10 0.02 4.78 2.46 -0.24 -1.03 115.29 118.44 2k2o s HIS 1018Ca 0.05 -0.20 -0.04 0.00 0.47 0.00 0.00 55.06 55.35 2k2o s HIS 1018Cb 0.15 -0.07 -0.01 0.00 -0.13 0.00 0.00 32.58 32.51 2k2o s HIS 1018CO 0.81 -0.07 0.06 -0.98 -2.47 0.00 0.00 174.74 172.09 2k2o s ARG 1019N -0.54 0.48 0.23 2.88 1.70 -0.45 -1.20 118.95 122.05 2k2o s ARG 1019Ca -0.06 -0.66 -0.17 0.00 -0.47 0.00 0.00 55.73 54.37 2k2o s ARG 1019Cb -0.04 0.18 0.02 0.00 -0.57 0.00 0.00 34.95 34.54 2k2o s ARG 1019CO -0.00 -0.11 0.55 -0.98 -1.08 0.00 0.00 175.30 173.68 2k2o s ARG 1020N -2.07 1.52 0.03 3.89 1.70 -1.14 -1.46 118.95 121.42 2k2o s ARG 1020Ca -0.10 -1.02 -0.14 0.00 -0.47 0.00 0.00 55.73 54.00 2k2o s ARG 1020Cb -0.05 0.52 0.02 0.00 -0.57 0.00 0.00 34.95 34.88 2k2o s ARG 1020CO -0.02 -0.65 0.32 -0.98 -1.08 0.00 0.00 175.30 172.88 2k2o s ARG 1021N -3.93 0.78 -0.35 3.89 1.70 -1.01 -1.12 118.95 118.92 2k2o s ARG 1021Ca 0.14 -0.41 -0.24 0.00 -0.47 0.00 0.00 55.73 54.75 2k2o s ARG 1021Cb -0.02 0.34 0.01 0.00 -0.57 0.00 0.00 34.95 34.71 2k2o s ARG 1021CO 0.03 -0.24 0.81 0.50 -1.08 0.00 0.00 175.30 175.31 2k2o s ARG 1022N -2.22 3.83 -0.11 3.89 3.52 -1.26 -1.31 118.95 125.29 2k2o s ARG 1022Ca -0.07 0.43 -0.24 0.00 -0.13 0.00 0.00 55.73 55.72 2k2o s ARG 1022Cb -0.02 -3.78 -0.03 0.00 -1.56 0.00 0.00 34.95 29.56 2k2o s ARG 1022CO -0.01 -0.82 0.74 -0.51 -0.81 0.00 0.00 175.30 173.90 2k2o s LEU 1023N 3.12 4.26 -0.15 -0.88 1.43 -0.27 -1.42 118.68 124.76 2k2o s LEU 1023Ca 0.33 1.16 -0.06 0.00 -1.03 0.00 0.00 54.13 54.53 2k2o s LEU 1023Cb -0.13 -3.13 -0.04 0.00 0.03 0.00 0.00 46.19 42.92 2k2o s LEU 1023CO 0.16 -0.22 0.06 0.68 0.23 0.00 0.00 176.35 177.25 2k2o s VAL 1024N 1.34 4.75 -0.26 -1.59 -7.23 -0.16 -1.66 120.40 115.59 2k2o s VAL 1024Ca 0.37 -0.06 -0.04 0.00 -1.81 0.00 0.00 61.98 60.45 2k2o s VAL 1024Cb -0.17 -3.10 0.10 0.00 0.56 0.00 0.00 36.38 33.76 2k2o s VAL 1024CO 0.16 0.51 0.14 -0.60 -0.31 0.00 0.00 175.10 175.01 2k2o s ARG 1025N -0.08 0.18 0.38 4.82 6.06 -0.46 -2.08 118.95 127.77 2k2o s ARG 1025Ca 0.06 -0.36 -0.25 0.00 -2.50 0.00 0.00 55.73 52.69 2k2o s ARG 1025Cb -0.12 -1.24 -0.09 0.00 0.06 0.00 0.00 34.95 33.55 2k2o s ARG 1025CO 0.01 -0.93 1.03 0.21 -2.50 0.00 0.00 175.30 173.12 2k2o s LYS 1026N 2.15 4.27 0.08 5.12 2.36 -1.26 -1.29 119.74 131.17 2k2o s LYS 1026Ca 0.08 1.48 0.01 0.00 -2.55 0.00 0.00 55.97 54.99 2k2o s LYS 1026Cb -0.16 -2.61 -0.04 0.00 -1.05 0.00 0.00 37.83 33.98 2k2o s LYS 1026CO -0.30 -0.04 -0.06 -0.98 1.55 0.00 0.00 175.35 175.52 2k2o s ARG 1027N -2.39 0.74 0.02 4.03 1.70 -0.44 -3.27 118.95 119.34 2k2o s ARG 1027Ca 0.56 -1.19 -0.03 0.00 -0.47 0.00 0.00 55.73 54.59 2k2o s ARG 1027Cb -0.21 -0.17 -0.01 0.00 -0.57 0.00 0.00 34.95 33.98 2k2o s ARG 1027CO 0.27 -0.02 0.04 -1.59 -1.08 0.00 0.00 175.30 172.92 2k2o s LYS 1028N -3.35 0.42 0.21 3.89 -2.85 -0.07 -0.94 119.74 117.05 2k2o s LYS 1028Ca 0.06 -0.61 0.22 0.00 -1.00 0.00 0.00 55.97 54.65 2k2o s LYS 1028Cb 0.02 0.16 0.01 0.00 -2.06 0.00 0.00 37.83 35.96 2k2o s LYS 1028CO -0.04 -0.09 1.06 -0.22 0.10 0.00 0.00 175.35 176.16 2k2o h LYS 1029N 4.30 0.00 0.00 1.78 3.64 0.64 0.67 116.57 127.60 2k2o h LYS 1029Ca -0.32 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.06 2k2o h LYS 1029Cb 1.20 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 2k2o h LYS 1029CO 0.44 0.02 0.00 -3.47 -2.27 0.00 0.00 179.45 174.17 2k2o n ASP 1030N -2.71 0.00 0.00 4.20 2.03 -1.22 -2.54 116.55 116.31 2k2o n ASP 1030Ca -0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2k2o n ASP 1030Cb 0.57 -1.83 0.00 0.00 -0.72 0.00 0.00 41.12 39.14 2k2o n ASP 1030CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 2k2o n LEU 1031N 0.00 0.68 -0.12 -2.67 7.94 -1.26 -4.56 117.00 117.01 2k2o n LEU 1031Ca 0.00 0.00 0.07 0.00 -1.11 0.00 0.00 56.01 54.97 2k2o n LEU 1031Cb 0.00 -1.54 -0.06 0.00 0.53 0.00 0.00 43.42 42.36 2k2o n LEU 1031CO 0.00 -0.55 0.06 0.35 -1.11 0.00 0.00 177.39 176.15 2k2o n THR 1032N -2.19 0.00 0.61 1.96 -2.24 -1.12 -4.23 114.28 107.07 2k2o n THR 1032Ca 0.00 -0.21 0.08 0.00 -2.27 0.00 0.00 64.05 61.65 2k2o n THR 1032Cb 0.21 1.06 0.09 0.00 -2.10 0.00 0.00 70.33 69.59 2k2o n THR 1032CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 2k2o n GLN 1033N -0.94 1.49 -3.29 -0.78 7.27 -1.05 -4.70 117.38 115.38 2k2o n GLN 1033Ca 0.04 -1.59 -0.12 0.00 0.07 0.00 0.00 57.00 55.40 2k2o n GLN 1033Cb 0.27 -1.33 -0.05 0.00 2.41 0.00 0.00 30.24 31.53 2k2o n GLN 1033CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 2k2o s THR 1034N -1.37 -0.52 0.38 1.69 2.01 -1.26 -3.77 115.64 112.80 2k2o s THR 1034Ca 0.21 -0.81 0.06 0.00 0.31 0.00 0.00 61.69 61.46 2k2o s THR 1034Cb 0.15 -0.47 0.06 0.00 0.01 0.00 0.00 72.50 72.24 2k2o s THR 1034CO 0.21 -0.43 0.48 0.00 -0.69 0.00 0.00 174.62 174.20 2k2o n ALA 1035N 4.14 0.77 -2.31 7.40 0.00 -1.26 -4.83 120.51 124.42 2k2o n ALA 1035Ca 0.12 -1.39 -0.42 0.00 0.00 0.00 0.00 53.44 51.76 2k2o n ALA 1035Cb 0.49 0.41 -0.02 0.00 0.00 0.00 0.00 19.45 20.32 2k2o n ALA 1035CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2k2o s SER 1036N -3.32 6.17 -0.11 0.00 0.15 -1.26 -4.96 113.70 110.37 2k2o s SER 1036Ca 0.37 0.69 -0.30 0.00 0.70 0.00 0.00 55.95 57.41 2k2o s SER 1036Cb -0.03 -2.54 -0.02 0.00 -1.71 0.00 0.00 66.02 61.72 2k2o s SER 1036CO 0.23 -1.60 1.19 -0.55 1.20 0.00 0.00 173.24 173.71 2k2o s SER 1037N 4.55 7.04 0.47 5.45 0.15 -1.26 -4.99 113.70 125.11 2k2o s SER 1037Ca 0.61 1.71 -0.21 0.00 0.70 0.00 0.00 55.95 58.76 2k2o s SER 1037Cb -0.14 -2.55 -0.08 0.00 -1.71 0.00 0.00 66.02 61.54 2k2o s SER 1037CO 0.30 -0.63 1.07 0.42 1.20 0.00 0.00 173.24 175.60 2k2o s THR 1038N 2.68 3.60 0.05 6.45 -4.23 -1.26 -4.96 115.64 117.97 2k2o s THR 1038Ca 0.54 1.07 -0.08 0.00 -1.18 0.00 0.00 61.69 62.04 2k2o s THR 1038Cb -0.22 -3.47 -0.31 0.00 1.34 0.00 0.00 72.50 69.84 2k2o s THR 1038CO 0.18 -0.14 1.05 0.00 -0.54 0.00 0.00 174.62 175.17 2k2o h ALA 1039N 1.77 0.04 -0.03 3.99 0.00 -2.06 -3.57 119.26 119.42 2k2o h ALA 1039Ca -0.49 -0.91 0.00 0.00 0.00 0.00 0.00 54.91 53.50 2k2o h ALA 1039Cb 1.23 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.12 2k2o h ALA 1039CO 0.60 0.92 0.00 0.54 0.00 0.00 0.00 179.25 181.30